| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.7 | Very low | 67.3 | Low | 234 Ų | 234 | 88.8 Ų | 88.8 | 100% | 1.153 | 48% | 0.476 | S | S | * | . | 0 | 124.3 | 0 | -65.5 | -171.1 | 111.2 | 0 | 0 | 106.8 | P3 | M1-P3 VanDerWaalsContact O-CD 3.29Å; M1-P3 WeakPolarHBondContact O-CD 3.46Å | |||
| 2 | V | 42 | Very low | 69 | Low | 143 Ų | 143 | 84.2 Ų | 84.2 | 87% | 0.867 | 45% | 0.453 | S | S | * | . | trans | -71.4 | 113.3 | 169.4 | -178 | 0 | 0 | 0 | 0 | 105 | S4 | V2-S4 PolarHBondContact O-N 3.16Å; V2-S4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | P | 46.8 | Very low | 70.7 | Confident | 67 Ų | 67 | 80 Ų | 80 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 122.9 | -177.4 | 22.8 | -30.9 | 0 | 0 | 0 | 108.1 | M1 L123 | M1-P3 VanDerWaalsContact O-CD 3.29Å; M1-P3 WeakPolarHBondContact O-CD 3.46Å; P3-L123 HydrophobicContact CB-CD2 3.89Å; P3-L123 HydrophobicContact CG-CD1 3.97Å; P3-L123 HydrophobicContact CG-CD2 3.92Å |
| 4 | S | 60.2 | Low | 71.9 | Confident | 84 Ų | 84 | 81.2 Ų | 81.2 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -59 | 128.1 | 174.5 | 50 | 0 | 0 | 0 | 0 | 107.8 | V2 Y6 | V2-S4 PolarHBondContact O-N 3.16Å; V2-S4 VanDerWaalsContact O-N 3.11Å; S4-Y6 PolarHBondContact O-N 3.25Å |
| 5 | P | 66.6 | Low | 72.7 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 131.3 | -175.8 | 26.5 | -34.7 | 0 | 0 | 0 | 109.9 | V35 F121 | P5-V35 HydrophobicContact CB-CB 4.08Å; P5-V35 HydrophobicContact CB-CG1 4.42Å; P5-V35 HydrophobicContact CB-CG2 4.1Å; P5-V35 HydrophobicContact CG-CB 4.43Å; P5-V35 HydrophobicContact CG-CG1 4.27Å; P5-F121 HydrophobicContact CB-CB 4.17Å |
| 6 | Y | 72.4 | Confident | 72.6 | Confident | 142 Ų | 142 | 86.6 Ų | 86.6 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 154 | 179.4 | -60.6 | -84.2 | 0 | 0 | 0 | 109.8 | S4 V8 F121 G122 L123 | S4-Y6 PolarHBondContact O-N 3.25Å; Y6-V8 WeakPolarHBondContact O-CG2 3.15Å; Y6-V8 PolarHBondContact O-N 3.03Å; Y6-F121 CarbonylContact O-C 3.51Å; Y6-F121 WeakPolarHBondContact O-CA 3.28Å; Y6-G122 PolarHBondContact N-O 3.22Å; Y6-G122 PolarHBondContact O-N 2.92Å; Y6-L123 HydrophobicContact CD2-CD2 4.06Å; Y6-L123 HydrophobicContact CE2-CD2 4.16Å |
| 7 | I | 79.4 | Confident | 71.8 | Confident | 45 Ų | 45 | 83.5 Ų | 83.5 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 118.5 | 165.6 | -64.4 | 172 | 0 | 0 | 0 | 106.7 | F10 L50 L120 F121 | I7-F10 HydrophobicContact CG2-CB 3.95Å; I7-L50 HydrophobicContact CB-CD1 3.73Å; I7-L50 HydrophobicContact CG2-CD1 3.81Å; I7-L120 CarbonylContact C-O 3.56Å; I7-L120 WeakPolarHBondContact CA-O 2.9Å; I7-F121 HydrophobicContact CD1-CE1 3.98Å; I7-F121 HydrophobicContact CD1-CZ 3.95Å; I7-F121 HydrophobicContact CG1-CD1 3.76Å; I7-F121 HydrophobicContact CG1-CE1 3.27Å; I7-F121 HydrophobicContact CG1-CE2 4.25Å; I7-F121 HydrophobicContact CG1-CG 4.43Å; I7-F121 HydrophobicContact CG1-CZ 3.56Å |
| 8 | V | 78.8 | Confident | 71.1 | Confident | 50 Ų | 50 | 87.8 Ų | 87.8 | 30% | 0.303 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -21.2 | -178.6 | -162.4 | 0 | 0 | 0 | 0 | 111.5 | Y6 F28 I32 L120 | Y6-V8 WeakPolarHBondContact O-CG2 3.15Å; Y6-V8 PolarHBondContact O-N 3.03Å; V8-F28 HydrophobicContact CG1-CD1 4.4Å; V8-F28 HydrophobicContact CG1-CE1 4.1Å; V8-I32 HydrophobicContact CG1-CD1 3.45Å; V8-I32 VanDerWaalsContact CG1-CD1 3.45Å; V8-I32 HydrophobicContact CG1-CG1 4Å; V8-I32 HydrophobicContact CG1-CG2 4.33Å; V8-I32 HydrophobicContact CG2-CG2 4.16Å; V8-L120 PolarHBondContact N-O 2.85Å |
| 9 | F | 86.5 | Confident | 70.5 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 21% | 0.206 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 140.5 | 175.1 | 175.2 | -92.8 | 0 | 0 | 0 | 109.8 | D11 F13 V26 F28 A119 L120 | F9-D11 HydrophobicContact CE1-CB 3.99Å; F9-D11 HydrophobicContact CE2-CB 4.1Å; F9-D11 HydrophobicContact CZ-CB 3.53Å; F9-F13 HydrophobicContact CE1-CE2 4.24Å; F9-F13 AromaticContact CE1-CZ 3.94Å; F9-F13 HydrophobicContact CE1-CZ 3.94Å; F9-F13 HydrophobicContact CZ-CE1 4.28Å; F9-F13 HydrophobicContact CZ-CE2 4.41Å; F9-F13 AromaticContact CZ-CZ 3.69Å; F9-F13 HydrophobicContact CZ-CZ 3.69Å; F9-V26 HydrophobicContact CB-CG1 4.42Å; F9-V26 HydrophobicContact CD1-CG2 4.04Å; F9-V26 HydrophobicContact CD2-CG1 3.85Å; F9-V26 HydrophobicContact CD2-CG2 4.32Å; F9-V26 HydrophobicContact CE1-CG2 3.75Å; F9-V26 HydrophobicContact CE2-CG1 4.23Å; F9-V26 HydrophobicContact CE2-CG2 4.05Å; F9-V26 HydrophobicContact CG-CG1 4Å; F9-V26 HydrophobicContact CG-CG2 4.31Å; F9-V26 HydrophobicContact CZ-CG2 3.75Å; F9-F28 HydrophobicContact CB-CE1 4.15Å; F9-A119 CarbonylContact O-C 3.44Å; F9-A119 WeakPolarHBondContact O-CA 3.46Å; F9-L120 HydrophobicContact CB-CB 4.03Å; F9-L120 HydrophobicContact CB-CD1 3.86Å; F9-L120 HydrophobicContact CB-CG 4.08Å; F9-L120 HydrophobicContact CD1-CD1 3.88Å; F9-L120 HydrophobicContact CD1-CG 3.99Å; F9-L120 HydrophobicContact CG-CD1 4.12Å; F9-L120 HydrophobicContact CG-CG 4.47Å; F9-L120 PolarHBondContact O-N 2.95Å |
| 10 | F | 86.4 | Confident | 70.4 | Confident | 39 Ų | 39 | 93.1 Ų | 93.1 | 17% | 0.171 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 108.9 | 177.6 | -175.4 | -112.4 | 0 | 0 | 0 | 110.5 | I7 L40 V46 L55 T117 I118 A119 | I7-F10 HydrophobicContact CG2-CB 3.95Å; F10-L40 HydrophobicContact CE2-CD1 3.32Å; F10-L40 HydrophobicContact CZ-CD1 3.74Å; F10-V46 HydrophobicContact CZ-CB 4.24Å; F10-V46 HydrophobicContact CZ-CG1 4.39Å; F10-L55 HydrophobicContact CD1-CD1 4.21Å; F10-L55 HydrophobicContact CD1-CD2 4.23Å; F10-L55 HydrophobicContact CE1-CB 3.42Å; F10-L55 VanDerWaalsContact CE1-CB 3.42Å; F10-L55 HydrophobicContact CE1-CD1 3.79Å; F10-L55 HydrophobicContact CE1-CD2 3.61Å; F10-L55 HydrophobicContact CE1-CG 3.76Å; F10-L55 HydrophobicContact CZ-CB 3.89Å; F10-L55 HydrophobicContact CZ-CD2 4.39Å; F10-T117 HydrophobicContact CE2-CG2 4.49Å; F10-I118 WeakPolarHBondContact CA-O 3.33Å; F10-A119 HydrophobicContact CD2-CB 3.52Å; F10-A119 HydrophobicContact CE2-CB 3.95Å |
| 11 | D | 87.3 | Confident | 70.8 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 171.9 | -180 | -150.3 | -11 | 0 | 0 | 0 | 112.2 | F9 I118 | F9-D11 HydrophobicContact CE1-CB 3.99Å; F9-D11 HydrophobicContact CE2-CB 4.1Å; F9-D11 HydrophobicContact CZ-CB 3.53Å; D11-I118 PolarHBondContact N-O 3.11Å; D11-I118 PolarHBondContact O-N 2.82Å |
| 12 | T | 88.2 | Confident | 73.1 | Confident | 33 Ų | 33 | 83 Ų | 83 | 20% | 0.202 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.4 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | T14 A58 L116 T117 | T12-T14 HydrophobicContact CG2-CG2 4.05Å; T12-A58 HydrophobicContact CG2-CB 4.19Å; T12-L116 CarbonylContact C-O 3.54Å; T12-L116 WeakPolarHBondContact CA-O 3.13Å; T12-T117 WeakPolarHBondContact CG2-OG1 3.14Å; T12-T117 WeakPolarHBondContact OG1-CB 3.29Å; T12-T117 VanDerWaalsContact OG1-CG2 3.3Å; T12-T117 WeakPolarHBondContact OG1-CG2 3.4Å; T12-T117 PolarHBondContact OG1-OG1 3.34Å |
| 13 | F | 91.4 | Very high | 75.3 | Confident | 30 Ų | 30 | 79.7 Ų | 79.7 | 13% | 0.132 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 139.4 | 168.5 | -57.1 | -66.3 | 0 | 0 | 0 | 110.5 | F9 D24 V26 F109 T115 L116 I118 | F9-F13 HydrophobicContact CE1-CE2 4.24Å; F9-F13 AromaticContact CE1-CZ 3.94Å; F9-F13 HydrophobicContact CE1-CZ 3.94Å; F9-F13 HydrophobicContact CZ-CE1 4.28Å; F9-F13 HydrophobicContact CZ-CE2 4.41Å; F9-F13 AromaticContact CZ-CZ 3.69Å; F9-F13 HydrophobicContact CZ-CZ 3.69Å; F13-D24 HydrophobicContact CB-CB 4.35Å; F13-D24 VanDerWaalsContact CB-OD2 3.29Å; F13-D24 WeakPolarHBondContact CB-OD2 3.25Å; F13-D24 HydrophobicContact CD1-CB 3.76Å; F13-D24 HydrophobicContact CD2-CB 3.89Å; F13-D24 HydrophobicContact CE1-CB 3.98Å; F13-D24 HydrophobicContact CE2-CB 4.1Å; F13-D24 HydrophobicContact CG-CB 3.72Å; F13-D24 VanDerWaalsContact CG-CG 3.47Å; F13-D24 HydrophobicContact CZ-CB 4.14Å; F13-V26 HydrophobicContact CZ-CG2 3.79Å; F13-F109 HydrophobicContact CE2-CD2 4.38Å; F13-T115 CarbonylContact O-C 3.6Å; F13-T115 WeakPolarHBondContact O-CA 3.47Å; F13-L116 HydrophobicContact CB-CB 4.5Å; F13-L116 HydrophobicContact CD2-CD2 4.32Å; F13-L116 HydrophobicContact CD2-CG 4.47Å; F13-L116 PolarHBondContact N-O 3.29Å; F13-L116 PolarHBondContact O-N 2.79Å; F13-I118 HydrophobicContact CD2-CD1 4.48Å; F13-I118 HydrophobicContact CE2-CD1 4.25Å |
| 14 | T | 87.5 | Confident | 77.5 | Confident | 97 Ų | 97 | 77.6 Ų | 77.6 | 60% | 0.595 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.3 | -179 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | T12 S114 T115 | T12-T14 HydrophobicContact CG2-CG2 4.05Å; T14-S114 CarbonylContact C-O 3.51Å; T14-T115 HydrophobicContact CG2-CG2 3.83Å |
| 15 | H | 83.5 | Confident | 78.9 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 30% | 0.296 | 41% | 0.408 | S | S | . | . | trans | -132.4 | 135.5 | -178.4 | -67.4 | -79.6 | 0 | 0 | 0 | 110.1 | G17 S22 D24 Y113 S114 | H15-G17 VanDerWaalsContact C-N 3.26Å; H15-G17 PolarHBondContact O-N 3.01Å; H15-G17 VanDerWaalsContact O-N 3.16Å; H15-S22 VanDerWaalsContact CD2-CB 3.47Å; H15-S22 WeakPolarHBondContact CD2-CB 3.42Å; H15-D24 IonicContact CD2-OD2 3.56Å; H15-D24 IonicContact CE1-OD1 3.89Å; H15-D24 PolarHBondContact CE1-OD1 2.68Å; H15-D24 VanDerWaalsContact CE1-OD1 3.28Å; H15-D24 IonicContact CE1-OD2 3.05Å; H15-D24 IonicContact NE2-OD1 2.84Å; H15-D24 PolarHBondContact NE2-OD1 2.67Å; H15-D24 IonicContact NE2-OD2 3.11Å; H15-D24 PolarHBondContact NE2-OD2 3.14Å; H15-Y113 AromaticContact CD2-CE2 3.88Å; H15-S114 PolarHBondContact N-O 3.41Å | ||
| 16 | N | 70.3 | Confident | 80 | Confident | 184 Ų | 184 | 75 Ų | 75 | 98% | 0.984 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -79.9 | 11.5 | -171.7 | -72.4 | -22.5 | 0 | 0 | 0 | 115.2 | ||
| 17 | G | 60.4 | Low | 80.6 | Confident | 34 Ų | 34 | 77.9 Ų | 77.9 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | trans | -140.1 | 129.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H15 | H15-G17 VanDerWaalsContact C-N 3.26Å; H15-G17 PolarHBondContact O-N 3.01Å; H15-G17 VanDerWaalsContact O-N 3.16Å | ||
| 18 | Q | 58.9 | Low | 80.7 | Confident | 161 Ų | 161 | 77 Ų | 77 | 75% | 0.752 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -82.5 | -7.5 | -176.7 | -70.9 | -164.3 | -9.8 | 0 | 0 | 115.4 | ||
| 19 | T | 58.8 | Low | 80.4 | Confident | 125 Ų | 125 | 85.5 Ų | 85.5 | 77% | 0.767 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -119.9 | 1.1 | -166.5 | 50.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 20 | Q | 68.6 | Low | 79.6 | Confident | 156 Ų | 156 | 86.1 Ų | 86.1 | 73% | 0.729 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -108 | 147.4 | 176.8 | -75.4 | 178.4 | -16.9 | 0 | 0 | 110.8 | S22 | Q20-S22 PolarHBondContact O-N 2.78Š|
| 21 | E | 78.4 | Confident | 78.9 | Confident | 109 Ų | 109 | 84.5 Ų | 84.5 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | trans | -64.5 | 121.8 | 169.1 | -75.8 | -173.7 | 176.8 | 0 | 0 | 109.2 | R110 G111 M112 | E21-R110 IonicContact OE1-NH2 3.74Å; E21-R110 IonicContact OE2-CZ 3.24Å; E21-R110 VanDerWaalsContact OE2-CZ 3.24Å; E21-R110 IonicContact OE2-NE 2.95Å; E21-R110 PolarHBondContact OE2-NE 3.41Å; E21-R110 IonicContact OE2-NH2 2.69Å; E21-R110 PolarHBondContact OE2-NH2 3.15Å; E21-G111 CarbonylContact C-O 3.56Å; E21-G111 WeakPolarHBondContact CA-O 3.47Å; E21-M112 HydrophobicContact CB-SD 4.37Å; E21-M112 HydrophobicContact CG-CG 4.04Å; E21-M112 HydrophobicContact CG-SD 3.63Å | ||
| 22 | S | 82.9 | Confident | 78.6 | Confident | 8 Ų | 8 | 80.8 Ų | 80.8 | 6% | 0.056 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 143.5 | 175.9 | 41.5 | 0 | 0 | 0 | 0 | 110.9 | H15 Q20 R110 G111 Y113 | H15-S22 VanDerWaalsContact CD2-CB 3.47Å; H15-S22 WeakPolarHBondContact CD2-CB 3.42Å; Q20-S22 PolarHBondContact O-N 2.78Å; S22-R110 WeakPolarHBondContact O-CA 3.45Å; S22-G111 PolarHBondContact N-O 2.94Å; S22-G111 PolarHBondContact O-N 3.27Å; S22-G111 PolarHBondContact OG-O 3.01Å; S22-Y113 VanDerWaalsContact OG-CD2 3.29Å; S22-Y113 WeakPolarHBondContact OG-CD2 3.23Å; S22-Y113 WeakPolarHBondContact OG-CE1 3.43Å; S22-Y113 VanDerWaalsContact OG-CE2 3.27Å; S22-Y113 WeakPolarHBondContact OG-CE2 3.39Å; S22-Y113 PolarHBondContact OG-N 3.44Å; S22-Y113 PolarHBondContact OG-O 2.79Å |
| 23 | V | 89 | Confident | 78.4 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 121.6 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 109 | L108 F109 R110 | V23-L108 HydrophobicContact CG1-CD1 3.66Å; V23-L108 HydrophobicContact CG1-CD2 3.81Å; V23-L108 HydrophobicContact CG1-CG 3.7Å; V23-F109 CarbonylContact C-O 3.58Å; V23-F109 VanDerWaalsContact CA-O 3.23Å; V23-F109 WeakPolarHBondContact CA-O 3.33Å; V23-R110 HydrophobicContact CG2-CB 4.3Å; V23-R110 HydrophobicContact CG2-CG 4.08Å |
| 24 | D | 92.6 | Very high | 78.1 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 12% | 0.123 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.3 | 176.6 | -64.8 | -62 | 0 | 0 | 0 | 110.7 | F13 H15 L108 F109 Y113 | F13-D24 HydrophobicContact CB-CB 4.35Å; F13-D24 VanDerWaalsContact CB-OD2 3.29Å; F13-D24 WeakPolarHBondContact CB-OD2 3.25Å; F13-D24 HydrophobicContact CD1-CB 3.76Å; F13-D24 HydrophobicContact CD2-CB 3.89Å; F13-D24 HydrophobicContact CE1-CB 3.98Å; F13-D24 HydrophobicContact CE2-CB 4.1Å; F13-D24 HydrophobicContact CG-CB 3.72Å; F13-D24 VanDerWaalsContact CG-CG 3.47Å; F13-D24 HydrophobicContact CZ-CB 4.14Å; H15-D24 IonicContact CD2-OD2 3.56Å; H15-D24 IonicContact CE1-OD1 3.89Å; H15-D24 PolarHBondContact CE1-OD1 2.68Å; H15-D24 VanDerWaalsContact CE1-OD1 3.28Å; H15-D24 IonicContact CE1-OD2 3.05Å; H15-D24 IonicContact NE2-OD1 2.84Å; H15-D24 PolarHBondContact NE2-OD1 2.67Å; H15-D24 IonicContact NE2-OD2 3.11Å; H15-D24 PolarHBondContact NE2-OD2 3.14Å; D24-L108 CarbonylContact O-C 3.55Å; D24-L108 WeakPolarHBondContact O-CA 3.44Å; D24-F109 PolarHBondContact N-O 3.36Å; D24-F109 PolarHBondContact O-N 3.23Å; D24-Y113 WeakPolarHBondContact OD2-CE2 3.27Å; D24-Y113 VanDerWaalsContact OD2-CZ 3.28Å; D24-Y113 PolarHBondContact OD2-OH 3.23Å |
| 25 | C | 89.3 | Confident | 78 | Confident | 66 Ų | 66 | 78 Ų | 78 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.5 | 176.2 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | F106 L107 L108 | C25-F106 HydrophobicContact CB-CE1 4.43Å; C25-F106 HydrophobicContact CB-CE2 3.66Å; C25-F106 HydrophobicContact CB-CZ 3.53Å; C25-L107 CarbonylContact C-O 3.5Å; C25-L107 WeakPolarHBondContact CA-O 3.29Å; C25-L107 VanDerWaalsContact CB-O 3.29Å; C25-L107 WeakPolarHBondContact CB-O 3.5Å; C25-L108 HydrophobicContact CB-CD1 4.29Å |
| 26 | V | 88.6 | Confident | 78.2 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.9 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | F9 F13 F28 F106 L107 F109 L120 | F9-V26 HydrophobicContact CB-CG1 4.42Å; F9-V26 HydrophobicContact CD1-CG2 4.04Å; F9-V26 HydrophobicContact CD2-CG1 3.85Å; F9-V26 HydrophobicContact CD2-CG2 4.32Å; F9-V26 HydrophobicContact CE1-CG2 3.75Å; F9-V26 HydrophobicContact CE2-CG1 4.23Å; F9-V26 HydrophobicContact CE2-CG2 4.05Å; F9-V26 HydrophobicContact CG-CG1 4Å; F9-V26 HydrophobicContact CG-CG2 4.31Å; F9-V26 HydrophobicContact CZ-CG2 3.75Å; F13-V26 HydrophobicContact CZ-CG2 3.79Å; V26-F28 HydrophobicContact CG1-CD1 4.2Å; V26-F28 HydrophobicContact CG1-CE1 3.66Å; V26-F28 HydrophobicContact CG1-CE2 4.05Å; V26-F28 HydrophobicContact CG1-CZ 3.58Å; V26-F106 CarbonylContact O-C 3.27Å; V26-F106 WeakPolarHBondContact O-CA 3.39Å; V26-L107 HydrophobicContact CB-CB 4.41Å; V26-L107 PolarHBondContact N-O 2.85Å; V26-L107 PolarHBondContact O-N 2.8Å; V26-F109 HydrophobicContact CG2-CE2 3.92Å; V26-L120 HydrophobicContact CB-CD1 4.39Å; V26-L120 HydrophobicContact CG1-CD1 4.16Å; V26-L120 HydrophobicContact CG2-CD1 4.29Å |
| 27 | R | 85.3 | Confident | 79.1 | Confident | 202 Ų | 202 | 68.5 Ų | 68.5 | 76% | 0.762 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.1 | 174.7 | -173.8 | -179.2 | -73 | 176.6 | -2.1 | 109.4 | N105 F106 | R27-N105 WeakPolarHBondContact CA-O 3.22Å; R27-F106 HydrophobicContact CB-CD2 4.04Å; R27-F106 HydrophobicContact CG-CD2 4.33Å |
| 28 | F | 83.1 | Confident | 80.5 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 142.5 | 178.8 | -56.6 | -74.6 | 0 | 0 | 0 | 111 | V8 F9 V26 S30 I32 L34 N105 L107 L120 | V8-F28 HydrophobicContact CG1-CD1 4.4Å; V8-F28 HydrophobicContact CG1-CE1 4.1Å; F9-F28 HydrophobicContact CB-CE1 4.15Å; V26-F28 HydrophobicContact CG1-CD1 4.2Å; V26-F28 HydrophobicContact CG1-CE1 3.66Å; V26-F28 HydrophobicContact CG1-CE2 4.05Å; V26-F28 HydrophobicContact CG1-CZ 3.58Å; F28-S30 VanDerWaalsContact C-N 3.27Å; F28-S30 WeakPolarHBondContact CB-O 3.38Å; F28-S30 PolarHBondContact O-N 3.01Å; F28-I32 HydrophobicContact CB-CD1 3.42Å; F28-I32 VanDerWaalsContact CB-CD1 3.42Å; F28-I32 HydrophobicContact CD1-CD1 3.15Å; F28-I32 HydrophobicContact CD2-CD1 3.69Å; F28-I32 HydrophobicContact CE1-CD1 3.68Å; F28-I32 HydrophobicContact CE2-CD1 4.16Å; F28-I32 HydrophobicContact CG-CD1 3.15Å; F28-I32 HydrophobicContact CZ-CD1 4.15Å; F28-L34 HydrophobicContact CE2-CD2 4.44Å; F28-L34 HydrophobicContact CZ-CD2 4.34Å; F28-N105 PolarHBondContact N-O 3.08Å; F28-L107 HydrophobicContact CE2-CD1 4Å; F28-L107 HydrophobicContact CZ-CD1 4.32Å; F28-L120 HydrophobicContact CZ-CD1 3.78Å |
| 29 | K | 70.7 | Confident | 82.1 | Confident | 229 Ų | 229 | 59.8 Ų | 59.8 | 100% | 0.996 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -26.8 | 177.8 | -67.7 | -173.5 | 177.7 | -176.5 | 0 | 112.9 | ||
| 30 | S | 69.9 | Low | 83.5 | Confident | 61 Ų | 61 | 54 Ų | 54 | 43% | 0.427 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 163.5 | 177.6 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | F28 | F28-S30 VanDerWaalsContact C-N 3.27Å; F28-S30 WeakPolarHBondContact CB-O 3.38Å; F28-S30 PolarHBondContact O-N 3.01Å |
| 31 | G | 73.2 | Confident | 84.5 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | T125 | G31-T125 WeakPolarHBondContact O-CA 3.45Å; G31-T125 PolarHBondContact O-N 3.05Å; G31-T125 VanDerWaalsContact O-O 3.06Å; G31-T125 PolarHBondContact O-OG1 3.32Å |
| 32 | I | 80.8 | Confident | 84.7 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140 | 177.2 | -70.4 | 144.1 | 0 | 0 | 0 | 109.7 | V8 F28 L34 I102 Q103 S104 L123 | V8-I32 HydrophobicContact CG1-CD1 3.45Å; V8-I32 VanDerWaalsContact CG1-CD1 3.45Å; V8-I32 HydrophobicContact CG1-CG1 4Å; V8-I32 HydrophobicContact CG1-CG2 4.33Å; V8-I32 HydrophobicContact CG2-CG2 4.16Å; F28-I32 HydrophobicContact CB-CD1 3.42Å; F28-I32 VanDerWaalsContact CB-CD1 3.42Å; F28-I32 HydrophobicContact CD1-CD1 3.15Å; F28-I32 HydrophobicContact CD2-CD1 3.69Å; F28-I32 HydrophobicContact CE1-CD1 3.68Å; F28-I32 HydrophobicContact CE2-CD1 4.16Å; F28-I32 HydrophobicContact CG-CD1 3.15Å; F28-I32 HydrophobicContact CZ-CD1 4.15Å; I32-L34 HydrophobicContact CG2-CD2 4.36Å; I32-L34 HydrophobicContact CG2-CG 4.26Å; I32-L34 PolarHBondContact O-N 3.26Å; I32-I102 VanDerWaalsContact O-O 3.08Å; I32-Q103 CarbonylContact O-C 3.59Å; I32-Q103 WeakPolarHBondContact O-CA 3.45Å; I32-S104 PolarHBondContact N-O 3.44Å; I32-S104 PolarHBondContact O-N 3.39Å; I32-L123 WeakPolarHBondContact CA-O 3.25Å |
| 33 | E | 83 | Confident | 84.5 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 101.8 | 165.8 | -88 | 179.5 | -173.7 | 0 | 0 | 110.1 | P101 I102 Q103 G122 L123 T125 | E33-P101 HydrophobicContact CB-CB 4.25Å; E33-P101 HydrophobicContact CG-CB 4.42Å; E33-I102 WeakPolarHBondContact CA-O 3.27Å; E33-Q103 HydrophobicContact CG-CG 3.45Å; E33-Q103 VanDerWaalsContact CG-CG 3.45Å; E33-Q103 PolarHBondContact OE1-NE2 3.43Å; E33-G122 CarbonylContact O-C 3.57Å; E33-G122 WeakPolarHBondContact O-CA 3.1Å; E33-L123 HydrophobicContact CB-CB 4.49Å; E33-L123 PolarHBondContact N-O 2.78Å; E33-L123 PolarHBondContact O-N 2.92Å; E33-T125 HydrophobicContact CB-CG2 3.94Å; E33-T125 HydrophobicContact CG-CG2 3.58Å |
| 34 | L | 86 | Confident | 83.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 125.5 | 178.3 | -69.1 | 154.2 | 0 | 0 | 0 | 110.6 | F28 I32 F98 P101 I102 L107 L120 | F28-L34 HydrophobicContact CE2-CD2 4.44Å; F28-L34 HydrophobicContact CZ-CD2 4.34Å; I32-L34 HydrophobicContact CG2-CD2 4.36Å; I32-L34 HydrophobicContact CG2-CG 4.26Å; I32-L34 PolarHBondContact O-N 3.26Å; L34-F98 HydrophobicContact CB-CD2 4.33Å; L34-F98 HydrophobicContact CB-CE2 4.05Å; L34-P101 VanDerWaalsContact O-CA 3.26Å; L34-P101 WeakPolarHBondContact O-CA 3.13Å; L34-I102 HydrophobicContact CB-CB 4.46Å; L34-I102 PolarHBondContact N-O 3.33Å; L34-I102 PolarHBondContact O-N 3.34Å; L34-L107 HydrophobicContact CD1-CD1 3.5Å; L34-L107 HydrophobicContact CD1-CD2 3.87Å; L34-L107 HydrophobicContact CD1-CG 3.81Å; L34-L107 HydrophobicContact CD2-CD1 4.02Å; L34-L107 HydrophobicContact CG-CD1 4.41Å; L34-L120 HydrophobicContact CD2-CB 4.18Å |
| 35 | V | 85.6 | Confident | 82.8 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -43.5 | -176.6 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | P5 F98 P101 F121 | P5-V35 HydrophobicContact CB-CB 4.08Å; P5-V35 HydrophobicContact CB-CG1 4.42Å; P5-V35 HydrophobicContact CB-CG2 4.1Å; P5-V35 HydrophobicContact CG-CB 4.43Å; P5-V35 HydrophobicContact CG-CG1 4.27Å; V35-F98 PolarHBondContact O-N 3.5Å; V35-P101 HydrophobicContact CG2-CB 4.48Å; V35-F121 PolarHBondContact N-O 3.11Å |
| 36 | K | 86.7 | Confident | 81.6 | Confident | 47 Ų | 47 | 48 Ų | 48 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.6 | 178.6 | 65.4 | 176 | -173.7 | 177 | 0 | 112.4 | T95 I96 Y97 F121 | K36-T95 HydrophobicContact CB-CG2 4.2Å; K36-T95 HydrophobicContact CD-CG2 4.09Å; K36-I96 WeakPolarHBondContact CA-O 3.47Å; K36-Y97 HydrophobicContact CB-CD1 3.93Å; K36-Y97 HydrophobicContact CB-CE1 4.2Å; K36-Y97 HydrophobicContact CD-CE1 3.93Å; K36-F121 HydrophobicContact CD-CB 4.25Å; K36-F121 HydrophobicContact CD-CD2 4.12Å; K36-F121 HydrophobicContact CD-CG 4.14Å; K36-F121 HydrophobicContact CG-CB 3.47Å; K36-F121 VanDerWaalsContact CG-CB 3.47Å; K36-F121 HydrophobicContact CG-CD2 3.8Å; K36-F121 HydrophobicContact CG-CG 3.79Å; K36-F121 PolarHBondContact N-O 3.17Å; K36-F121 PolarHBondContact O-N 2.89Å |
| 37 | I | 90.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.9 | 173 | -57.1 | -169.3 | 0 | 0 | 0 | 108.3 | V68 T95 I96 F98 F109 I118 L120 | I37-V68 HydrophobicContact CD1-CG1 4.2Å; I37-V68 HydrophobicContact CD1-CG2 4.43Å; I37-T95 CarbonylContact O-C 3.53Å; I37-T95 WeakPolarHBondContact O-CA 3.19Å; I37-I96 HydrophobicContact CB-CB 4.27Å; I37-I96 PolarHBondContact N-O 3.38Å; I37-I96 PolarHBondContact O-N 2.77Å; I37-F98 HydrophobicContact CD1-CE2 3.85Å; I37-F98 HydrophobicContact CD1-CZ 3.43Å; I37-F98 VanDerWaalsContact CD1-CZ 3.43Å; I37-F98 HydrophobicContact CG1-CE2 3.59Å; I37-F98 HydrophobicContact CG1-CZ 3.68Å; I37-F109 HydrophobicContact CD1-CE1 4.07Å; I37-F109 HydrophobicContact CD1-CZ 4.27Å; I37-I118 HydrophobicContact CG2-CG2 3.73Å; I37-L120 HydrophobicContact CB-CD2 4.07Å; I37-L120 HydrophobicContact CD1-CD2 3.68Å; I37-L120 HydrophobicContact CG1-CD2 3.52Å; I37-L120 HydrophobicContact CG2-CD2 3.79Å |
| 38 | C | 89 | Confident | 78.7 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.2 | 172.4 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | I93 N94 T95 I118 A119 F121 | C38-I93 HydrophobicContact CB-CG2 4.28Å; C38-N94 CarbonylContact C-O 3.42Å; C38-N94 WeakPolarHBondContact CA-O 3.43Å; C38-T95 PolarHBondContact SG-OG1 3.16Å; C38-I118 CarbonylContact O-C 3.49Å; C38-I118 WeakPolarHBondContact O-CA 3.5Å; C38-A119 HydrophobicContact CB-CB 4.23Å; C38-A119 PolarHBondContact N-O 3.38Å; C38-A119 PolarHBondContact O-N 2.69Å; C38-F121 HydrophobicContact CB-CE2 4.33Å |
| 39 | I | 91.4 | Very high | 77.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.1 | 171.8 | -55.2 | 173.4 | 0 | 0 | 0 | 108.1 | T59 I66 F87 N94 I96 L116 I118 | I39-T59 HydrophobicContact CG2-CG2 4.08Å; I39-I66 HydrophobicContact CD1-CD1 4.32Å; I39-I66 HydrophobicContact CD1-CG2 3.86Å; I39-F87 HydrophobicContact CB-CD2 3.98Å; I39-F87 HydrophobicContact CB-CE2 4.21Å; I39-F87 HydrophobicContact CD1-CD2 4.49Å; I39-F87 HydrophobicContact CG2-CD2 3.5Å; I39-F87 VanDerWaalsContact CG2-CD2 3.5Å; I39-F87 HydrophobicContact CG2-CE2 3.57Å; I39-F87 HydrophobicContact CG2-CG 4.29Å; I39-F87 HydrophobicContact CG2-CZ 4.39Å; I39-N94 HydrophobicContact CB-CB 4.44Å; I39-N94 PolarHBondContact N-O 2.94Å; I39-N94 PolarHBondContact O-N 2.95Å; I39-N94 VanDerWaalsContact O-N 3.1Å; I39-I96 HydrophobicContact CD1-CD1 4.22Å; I39-L116 HydrophobicContact CG2-CD1 3.77Å; I39-I118 HydrophobicContact CG1-CG1 4.31Å |
| 40 | L | 89.7 | Confident | 76.3 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 118.5 | -171.6 | -70.3 | 164.9 | 0 | 0 | 0 | 111.9 | F10 V46 T59 I93 T117 | F10-L40 HydrophobicContact CE2-CD1 3.32Å; F10-L40 HydrophobicContact CZ-CD1 3.74Å; L40-V46 HydrophobicContact CD1-CB 4.31Å; L40-V46 HydrophobicContact CD1-CG2 3.43Å; L40-V46 VanDerWaalsContact CD1-CG2 3.43Å; L40-V46 HydrophobicContact CD2-CG2 3.27Å; L40-V46 HydrophobicContact CG-CG2 3.96Å; L40-T59 WeakPolarHBondContact O-CB 3.36Å; L40-T59 PolarHBondContact O-OG1 2.96Å; L40-I93 HydrophobicContact CD2-CB 4.41Å; L40-I93 HydrophobicContact CD2-CD1 3.81Å; L40-I93 HydrophobicContact CD2-CG1 3.83Å; L40-I93 HydrophobicContact CD2-CG2 3.84Å; L40-T117 HydrophobicContact CB-CG2 4.14Å; L40-T117 HydrophobicContact CD1-CG2 3.95Å; L40-T117 PolarHBondContact N-O 2.81Å |
| 41 | P | 88.8 | Confident | 75.2 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -67.2 | 160.2 | 179.7 | 15.8 | -16 | 0 | 0 | 0 | 113 | G43 S44 G57 F87 E89 G92 | P41-G43 PolarHBondContact O-N 3.26Å; P41-S44 WeakPolarHBondContact CD-OG 3.44Å; P41-S44 WeakPolarHBondContact CG-OG 3.21Å; P41-S44 VanDerWaalsContact O-CB 3.29Å; P41-S44 WeakPolarHBondContact O-CB 3.29Å; P41-S44 PolarHBondContact O-N 3.22Å; P41-S44 VanDerWaalsContact O-N 3.08Å; P41-S44 PolarHBondContact O-OG 2.86Å; P41-G57 CarbonylContact O-C 3.55Å; P41-G57 WeakPolarHBondContact O-CA 3.33Å; P41-F87 HydrophobicContact CB-CZ 4.03Å; P41-E89 HydrophobicContact CB-CB 4.41Å; P41-E89 HydrophobicContact CB-CG 3.59Å; P41-G92 WeakPolarHBondContact CG-O 3.37Å |
| 42 | F | 83.3 | Confident | 74.1 | Confident | 129 Ų | 129 | 49.9 Ų | 49.9 | 57% | 0.566 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 130.7 | 175.4 | -172.4 | -95.9 | 0 | 0 | 0 | 111.4 | S44 G57 | F42-S44 VanDerWaalsContact C-N 3.29Å; F42-S44 PolarHBondContact O-N 3.39Å; F42-G57 CarbonylContact C-O 3.44Å; F42-G57 WeakPolarHBondContact CA-O 3.2Å |
| 43 | G | 78.5 | Confident | 72.6 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 0 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P41 V45 L56 G57 | P41-G43 PolarHBondContact O-N 3.26Å; G43-V45 PolarHBondContact O-N 2.75Å; G43-L56 WeakPolarHBondContact O-CD1 3.3Å; G43-G57 PolarHBondContact N-O 3.49Å |
| 44 | S | 77.1 | Confident | 71.6 | Confident | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | trans | -75.7 | 111.1 | 176.6 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | P41 F42 V46 G57 | P41-S44 WeakPolarHBondContact CD-OG 3.44Å; P41-S44 WeakPolarHBondContact CG-OG 3.21Å; P41-S44 VanDerWaalsContact O-CB 3.29Å; P41-S44 WeakPolarHBondContact O-CB 3.29Å; P41-S44 PolarHBondContact O-N 3.22Å; P41-S44 VanDerWaalsContact O-N 3.08Å; P41-S44 PolarHBondContact O-OG 2.86Å; F42-S44 VanDerWaalsContact C-N 3.29Å; F42-S44 PolarHBondContact O-N 3.39Å; S44-V46 PolarHBondContact O-N 2.84Å; S44-G57 PolarHBondContact O-N 2.82Å | ||
| 45 | V | 67.8 | Low | 70.5 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.5 | 172.4 | 172 | 0 | 0 | 0 | 0 | 109.4 | G43 P54 L56 | G43-V45 PolarHBondContact O-N 2.75Å; V45-P54 HydrophobicContact CG1-CB 3.38Å; V45-L56 HydrophobicContact CB-CD1 4.48Å; V45-L56 HydrophobicContact CG2-CD1 3.46Å; V45-L56 VanDerWaalsContact CG2-CD1 3.46Å |
| 46 | V | 64 | Low | 69.9 | Low | 26 Ų | 26 | 61.4 Ų | 61.4 | 16% | 0.158 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 112.8 | 170.6 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | F10 L40 S44 S48 L55 | F10-V46 HydrophobicContact CZ-CB 4.24Å; F10-V46 HydrophobicContact CZ-CG1 4.39Å; L40-V46 HydrophobicContact CD1-CB 4.31Å; L40-V46 HydrophobicContact CD1-CG2 3.43Å; L40-V46 VanDerWaalsContact CD1-CG2 3.43Å; L40-V46 HydrophobicContact CD2-CG2 3.27Å; L40-V46 HydrophobicContact CG-CG2 3.96Å; S44-V46 PolarHBondContact O-N 2.84Å; V46-S48 PolarHBondContact O-N 3.1Å; V46-L55 PolarHBondContact N-O 3.48Å; V46-L55 PolarHBondContact O-N 2.98Å |
| 47 | E | 60.6 | Low | 69.6 | Low | 176 Ų | 176 | 59.2 Ų | 59.2 | 82% | 0.822 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 112.7 | 164 | -67.7 | 178.2 | -179.9 | 0 | 0 | 107.6 | ||
| 48 | S | 53.2 | Low | 69.4 | Low | 13 Ų | 13 | 60.7 Ų | 60.7 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 143.6 | 175.5 | 97.5 | 0 | 0 | 0 | 0 | 108.7 | V46 L50 S51 | V46-S48 PolarHBondContact O-N 3.1Å; S48-L50 PolarHBondContact O-N 2.91Å; S48-L50 VanDerWaalsContact O-N 3.09Å; S48-L50 PolarHBondContact OG-N 3.17Å; S48-L50 VanDerWaalsContact OG-N 3.12Å; S48-S51 PolarHBondContact O-N 3.1Å; S48-S51 VanDerWaalsContact O-O 3.05Å; S48-S51 PolarHBondContact OG-N 2.87Å; S48-S51 PolarHBondContact OG-OG 3.2Å |
| 49 | N | 55.9 | Low | 69.4 | Low | 172 Ų | 172 | 60.2 Ų | 60.2 | 92% | 0.92 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -1.2 | 170.7 | -71.4 | -5.3 | 0 | 0 | 0 | 112.6 | ||
| 50 | L | 48 | Very low | 69.2 | Low | 82 Ų | 82 | 63.3 Ų | 63.3 | 43% | 0.429 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -15.5 | -176.6 | -71.2 | 163.1 | 0 | 0 | 0 | 112.8 | I7 S48 C722 | I7-L50 HydrophobicContact CB-CD1 3.73Å; I7-L50 HydrophobicContact CG2-CD1 3.81Å; S48-L50 PolarHBondContact O-N 2.91Å; S48-L50 VanDerWaalsContact O-N 3.09Å; S48-L50 PolarHBondContact OG-N 3.17Å; S48-L50 VanDerWaalsContact OG-N 3.12Å; L50-C722 PolarHBondContact O-SG 3.37Å |
| 51 | S | 45.4 | Very low | 69.2 | Low | 10 Ų | 10 | 65.4 Ų | 65.4 | 7% | 0.07 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 122.4 | -177.3 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | S48 E53 L55 | S48-S51 PolarHBondContact O-N 3.1Å; S48-S51 VanDerWaalsContact O-O 3.05Å; S48-S51 PolarHBondContact OG-N 2.87Å; S48-S51 PolarHBondContact OG-OG 3.2Å; S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact OG-O 2.93Å; S51-L55 WeakPolarHBondContact OG-CD1 3.14Å |
| 52 | D | 51.3 | Low | 69 | Low | 117 Ų | 117 | 67.3 Ų | 67.3 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -14.8 | 179.8 | -76.5 | -31.3 | 0 | 0 | 0 | 112.4 | L725 | D52-L725 HydrophobicContact CB-CD1 3.1Å; D52-L725 HydrophobicContact CB-CG 3.66Å |
| 53 | E | 49.4 | Very low | 69 | Low | 131 Ų | 131 | 64.2 Ų | 64.2 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 130.1 | 165.7 | -101.1 | 177.5 | -158 | 0 | 0 | 110.4 | S51 L55 L725 | S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact OG-O 2.93Å; E53-L55 PolarHBondContact O-N 2.6Å; E53-L725 HydrophobicContact CB-CD2 4.07Å; E53-L725 HydrophobicContact CG-CD2 3.82Å |
| 54 | P | 61.2 | Low | 69.6 | Low | 77 Ų | 77 | 62.9 Ų | 62.9 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 102.4 | 171.3 | 22.5 | -28.8 | 0 | 0 | 0 | 109.1 | V45 L56 | V45-P54 HydrophobicContact CG1-CB 3.38Å; P54-L56 PolarHBondContact O-N 3.08Å |
| 55 | L | 62.9 | Low | 70.2 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 123.4 | 174.7 | -102.3 | 112.9 | 0 | 0 | 0 | 108.9 | F10 V46 S51 E53 | F10-L55 HydrophobicContact CD1-CD1 4.21Å; F10-L55 HydrophobicContact CD1-CD2 4.23Å; F10-L55 HydrophobicContact CE1-CB 3.42Å; F10-L55 VanDerWaalsContact CE1-CB 3.42Å; F10-L55 HydrophobicContact CE1-CD1 3.79Å; F10-L55 HydrophobicContact CE1-CD2 3.61Å; F10-L55 HydrophobicContact CE1-CG 3.76Å; F10-L55 HydrophobicContact CZ-CB 3.89Å; F10-L55 HydrophobicContact CZ-CD2 4.39Å; V46-L55 PolarHBondContact N-O 3.48Å; V46-L55 PolarHBondContact O-N 2.98Å; S51-L55 WeakPolarHBondContact OG-CD1 3.14Å; E53-L55 PolarHBondContact O-N 2.6Å |
| 56 | L | 73 | Confident | 71.3 | Confident | 91 Ų | 91 | 63 Ų | 63 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 125.7 | 178.7 | -157.1 | 74.3 | 0 | 0 | 0 | 109 | G43 V45 P54 A58 | G43-L56 WeakPolarHBondContact O-CD1 3.3Å; V45-L56 HydrophobicContact CB-CD1 4.48Å; V45-L56 HydrophobicContact CG2-CD1 3.46Å; V45-L56 VanDerWaalsContact CG2-CD1 3.46Å; P54-L56 PolarHBondContact O-N 3.08Å; L56-A58 PolarHBondContact O-N 3.36Å |
| 57 | G | 80.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 129.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P41 F42 G43 S44 | P41-G57 CarbonylContact O-C 3.55Å; P41-G57 WeakPolarHBondContact O-CA 3.33Å; F42-G57 CarbonylContact C-O 3.44Å; F42-G57 WeakPolarHBondContact CA-O 3.2Å; G43-G57 PolarHBondContact N-O 3.49Å; S44-G57 PolarHBondContact O-N 2.82Å |
| 58 | A | 85.6 | Confident | 74.1 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | trans | -121.6 | 18.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T12 L56 N60 T115 T117 | T12-A58 HydrophobicContact CG2-CB 4.19Å; L56-A58 PolarHBondContact O-N 3.36Å; A58-N60 PolarHBondContact O-N 3.41Å; A58-T115 VanDerWaalsContact O-CB 3.24Å; A58-T115 WeakPolarHBondContact O-CB 3.41Å; A58-T115 PolarHBondContact O-OG1 3.43Å; A58-T117 PolarHBondContact N-OG1 3.25Å | ||
| 59 | T | 90.4 | Very high | 75.8 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -63.8 | 125.4 | -176.4 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | I39 L40 F64 F87 T115 L116 T117 | I39-T59 HydrophobicContact CG2-CG2 4.08Å; L40-T59 WeakPolarHBondContact O-CB 3.36Å; L40-T59 PolarHBondContact O-OG1 2.96Å; T59-F64 HydrophobicContact CG2-CE1 3.54Å; T59-F64 HydrophobicContact CG2-CZ 3.69Å; T59-F87 HydrophobicContact CG2-CD1 4.22Å; T59-F87 HydrophobicContact CG2-CE1 3.68Å; T59-F87 HydrophobicContact CG2-CE2 4.34Å; T59-F87 HydrophobicContact CG2-CZ 3.75Å; T59-T115 CarbonylContact C-O 3.54Å; T59-T115 VanDerWaalsContact CA-O 3.28Å; T59-T115 WeakPolarHBondContact CA-O 3.42Å; T59-L116 HydrophobicContact CG2-CD1 4.23Å; T59-T117 PolarHBondContact OG1-N 2.77Å |
| 60 | N | 87.1 | Confident | 77.2 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -145.2 | 134.2 | -177.6 | -169.6 | 24.3 | 0 | 0 | 0 | 108.9 | A58 S114 T115 | A58-N60 PolarHBondContact O-N 3.41Å; N60-S114 PolarHBondContact ND2-OG 2.8Å; N60-S114 PolarHBondContact O-N 2.57Å; N60-S114 PolarHBondContact O-OG 3.32Å; N60-T115 WeakPolarHBondContact CB-OG1 3.4Å; N60-T115 PolarHBondContact N-O 3.4Å; N60-T115 PolarHBondContact N-OG1 3.41Å; N60-T115 PolarHBondContact O-N 3.28Å; N60-T115 VanDerWaalsContact O-N 3.1Å; N60-T115 VanDerWaalsContact O-O 3.09Å |
| 61 | P | 88.7 | Confident | 78.5 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | S | Bend | cis | -75.7 | 168.1 | 7.7 | 31.5 | -33.2 | 0 | 0 | 0 | 114.9 | S63 F64 M112 | P61-S63 PolarHBondContact O-N 3.34Å; P61-F64 HydrophobicContact CG-CB 4.26Å; P61-F64 HydrophobicContact CG-CD1 3.99Å; P61-F64 WeakPolarHBondContact O-CD1 3.42Å; P61-M112 WeakPolarHBondContact CD-O 3.43Å |
| 62 | A | 84.5 | Confident | 79.2 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -58.3 | -13.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S88 E89 | A62-S88 CarbonylContact O-C 3.56Å; A62-S88 WeakPolarHBondContact O-CA 3.42Å; A62-E89 HydrophobicContact CB-CB 4.07Å; A62-E89 WeakPolarHBondContact CB-OE2 3.4Å; A62-E89 WeakPolarHBondContact O-CB 3.08Å; A62-E89 PolarHBondContact O-N 2.94Å |
| 63 | S | 83.9 | Confident | 79.4 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 44% | 0.441 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 133.1 | 173 | 57 | 0 | 0 | 0 | 0 | 112.6 | P61 F87 | P61-S63 PolarHBondContact O-N 3.34Å; S63-F87 WeakPolarHBondContact CA-O 3.45Å; S63-F87 WeakPolarHBondContact CB-O 3.29Å |
| 64 | F | 91.5 | Very high | 79.4 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 161.6 | 176.3 | 57.2 | -88 | 0 | 0 | 0 | 111.8 | T59 P61 I66 F87 M112 Y113 L116 | T59-F64 HydrophobicContact CG2-CE1 3.54Å; T59-F64 HydrophobicContact CG2-CZ 3.69Å; P61-F64 HydrophobicContact CG-CB 4.26Å; P61-F64 HydrophobicContact CG-CD1 3.99Å; P61-F64 WeakPolarHBondContact O-CD1 3.42Å; F64-I66 HydrophobicContact CD2-CB 4.27Å; F64-I66 HydrophobicContact CE2-CB 4.01Å; F64-I66 HydrophobicContact CE2-CD1 4.33Å; F64-F87 HydrophobicContact CD1-CB 4.42Å; F64-F87 AromaticContact CD1-CD1 3.69Å; F64-F87 HydrophobicContact CD1-CD1 3.69Å; F64-F87 HydrophobicContact CD1-CE1 4.45Å; F64-F87 HydrophobicContact CD1-CG 4.44Å; F64-F87 HydrophobicContact CD2-CB 4.45Å; F64-F87 HydrophobicContact CE1-CB 4.15Å; F64-F87 AromaticContact CE1-CD1 3.22Å; F64-F87 HydrophobicContact CE1-CD1 3.22Å; F64-F87 AromaticContact CE1-CE1 3.8Å; F64-F87 HydrophobicContact CE1-CE1 3.8Å; F64-F87 AromaticContact CE1-CG 3.87Å; F64-F87 HydrophobicContact CE1-CG 3.87Å; F64-F87 HydrophobicContact CE2-CB 4.18Å; F64-F87 HydrophobicContact CZ-CB 4Å; F64-F87 AromaticContact CZ-CD1 3.79Å; F64-F87 HydrophobicContact CZ-CD1 3.79Å; F64-F87 HydrophobicContact CZ-CE1 4.49Å; F64-F87 AromaticContact CZ-CG 3.95Å; F64-F87 HydrophobicContact CZ-CG 3.95Å; F64-F87 PolarHBondContact N-O 2.85Å; F64-F87 VanDerWaalsContact N-O 3.14Å; F64-F87 PolarHBondContact O-N 2.81Å; F64-M112 WeakPolarHBondContact CB-O 3.28Å; F64-Y113 HydrophobicContact CD2-CD1 4.09Å; F64-Y113 AromaticContact CE2-CD1 3.78Å; F64-Y113 HydrophobicContact CE2-CD1 3.78Å; F64-Y113 HydrophobicContact CE2-CG 4.24Å; F64-Y113 HydrophobicContact CZ-CD1 4.39Å; F64-Y113 HydrophobicContact CZ-CG 4.43Å; F64-L116 HydrophobicContact CE2-CD1 4.27Å; F64-L116 HydrophobicContact CZ-CD1 3.83Å |
| 65 | D | 88.9 | Confident | 78.9 | Confident | 109 Ų | 109 | 50.4 Ų | 50.4 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.8 | 169.9 | -76.8 | -51.2 | 0 | 0 | 0 | 111 | F86 G111 | D65-F86 VanDerWaalsContact OD1-CD2 3.3Å; D65-F86 WeakPolarHBondContact OD1-CD2 3.13Å; D65-G111 VanDerWaalsContact O-CA 3.22Å; D65-G111 WeakPolarHBondContact O-CA 3.19Å |
| 66 | I | 91.1 | Very high | 78.2 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.3 | 174.2 | -167.2 | 169.4 | 0 | 0 | 0 | 111.7 | I39 F64 K84 Y85 F109 R110 Y113 L116 | I39-I66 HydrophobicContact CD1-CD1 4.32Å; I39-I66 HydrophobicContact CD1-CG2 3.86Å; F64-I66 HydrophobicContact CD2-CB 4.27Å; F64-I66 HydrophobicContact CE2-CB 4.01Å; F64-I66 HydrophobicContact CE2-CD1 4.33Å; I66-K84 WeakPolarHBondContact O-CA 3.47Å; I66-Y85 WeakPolarHBondContact CG2-O 3.36Å; I66-Y85 PolarHBondContact N-O 3.14Å; I66-Y85 PolarHBondContact O-N 2.84Å; I66-F109 HydrophobicContact CD1-CB 4.34Å; I66-F109 HydrophobicContact CD1-CD1 3.95Å; I66-R110 CarbonylContact C-O 3.48Å; I66-R110 WeakPolarHBondContact CA-O 3.24Å; I66-Y113 HydrophobicContact CD1-CE1 4.38Å; I66-L116 HydrophobicContact CD1-CD1 4.13Å; I66-L116 HydrophobicContact CD1-CD2 3.59Å |
| 67 | T | 91.9 | Very high | 77.4 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.4 | 178.7 | -38.3 | 0 | 0 | 0 | 0 | 109.4 | Y69 A83 K84 R110 | T67-Y69 HydrophobicContact CG2-CD2 4.47Å; T67-Y69 HydrophobicContact CG2-CE2 3.7Å; T67-A83 WeakPolarHBondContact CA-O 3.22Å; T67-K84 HydrophobicContact CG2-CD 4.19Å; T67-K84 HydrophobicContact CG2-CG 3.59Å; T67-R110 PolarHBondContact N-O 3.47Å; T67-R110 PolarHBondContact O-N 2.98Å |
| 68 | V | 91.2 | Very high | 76.5 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.6 | -179.3 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | I37 S81 V82 A83 L107 L108 F109 | I37-V68 HydrophobicContact CD1-CG1 4.2Å; I37-V68 HydrophobicContact CD1-CG2 4.43Å; V68-S81 CarbonylContact O-C 3.57Å; V68-S81 WeakPolarHBondContact O-CA 3.43Å; V68-V82 PolarHBondContact O-N 3.25Å; V68-A83 HydrophobicContact CB-CB 4.24Å; V68-A83 HydrophobicContact CG2-CB 4.34Å; V68-A83 PolarHBondContact N-O 2.78Å; V68-A83 PolarHBondContact O-N 3.43Å; V68-L107 HydrophobicContact CG1-CD2 3.74Å; V68-L108 CarbonylContact C-O 3.54Å; V68-L108 WeakPolarHBondContact CA-O 3.43Å; V68-F109 HydrophobicContact CG1-CD1 4.33Å; V68-F109 HydrophobicContact CG1-CE1 3.98Å; V68-F109 HydrophobicContact CG1-CZ 4.41Å; V68-F109 HydrophobicContact CG2-CD1 3.73Å; V68-F109 HydrophobicContact CG2-CE1 3.74Å |
| 69 | Y | 89.9 | Confident | 76 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 19% | 0.192 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 149.3 | 174.8 | -54.4 | -103.3 | 0 | 0 | 0 | 111.4 | T67 L79 Q80 L107 L108 R110 | T67-Y69 HydrophobicContact CG2-CD2 4.47Å; T67-Y69 HydrophobicContact CG2-CE2 3.7Å; Y69-L79 HydrophobicContact CD1-CB 4.46Å; Y69-Q80 CarbonylContact C-O 3.58Å; Y69-Q80 WeakPolarHBondContact CA-O 3.45Å; Y69-L107 CarbonylContact O-C 3.09Å; Y69-L107 VanDerWaalsContact O-CA 3.31Å; Y69-L107 WeakPolarHBondContact O-CA 3.26Å; Y69-L108 HydrophobicContact CD2-CD2 3.69Å; Y69-L108 HydrophobicContact CE2-CD2 4.28Å; Y69-L108 HydrophobicContact CG-CD2 4.34Å; Y69-L108 PolarHBondContact N-O 3.29Å; Y69-L108 PolarHBondContact O-N 3.09Å; Y69-R110 HydrophobicContact CE2-CB 4.25Å |
| 70 | S | 85.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.9 | 173.6 | 128.4 | 0 | 0 | 0 | 0 | 112.2 | Q80 S104 F106 | S70-Q80 PolarHBondContact N-O 3.23Å; S70-Q80 PolarHBondContact O-N 3.09Å; S70-S104 WeakPolarHBondContact CB-OG 3.41Å; S70-S104 WeakPolarHBondContact OG-CB 3.45Å; S70-S104 PolarHBondContact OG-OG 3.13Å; S70-S104 VanDerWaalsContact OG-OG 3.06Å; S70-F106 WeakPolarHBondContact CA-O 3.42Å; S70-F106 WeakPolarHBondContact CB-O 3.25Å |
| 71 | N | 74.4 | Confident | 75.3 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 22% | 0.219 | 36% | 0.364 | C | S | . | . | trans | -86.6 | 92.6 | 165.1 | 169.8 | 4.8 | 0 | 0 | 0 | 108.5 | Q73 | N71-Q73 PolarHBondContact OD1-O 3.44Š| ||
| 72 | S | 60.2 | Low | 74.9 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | trans | -100.4 | 7.8 | -178.1 | 56.1 | 0 | 0 | 0 | 0 | 115.1 | Q80 Q103 | S72-Q80 PolarHBondContact OG-OE1 2.89Å; S72-Q103 WeakPolarHBondContact CA-O 3.34Å | ||
| 73 | Q | 55.8 | Low | 74.9 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 62% | 0.621 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -143.2 | 126.7 | 176.9 | -72.7 | 179.2 | -12.8 | 0 | 0 | 110.3 | N71 N75 C76 | N71-Q73 PolarHBondContact OD1-O 3.44Å; Q73-N75 PolarHBondContact O-N 3.31Å; Q73-C76 PolarHBondContact O-N 3.27Å; Q73-C76 VanDerWaalsContact O-N 3.13Å |
| 74 | T | 50.3 | Low | 75.1 | Confident | 95 Ų | 95 | 67.5 Ų | 67.5 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45 | -5.6 | -168 | 39.8 | 0 | 0 | 0 | 0 | 119.5 | L128 | T74-L128 HydrophobicContact CG2-CB 4.27Å; T74-L128 HydrophobicContact CG2-CD2 3.65Å; T74-L128 HydrophobicContact CG2-CG 4.3Å |
| 75 | N | 49.1 | Very low | 75 | Confident | 155 Ų | 155 | 70.5 Ų | 70.5 | 83% | 0.829 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.2 | 16.3 | -176.5 | -91.4 | -25.9 | 0 | 0 | 0 | 113.9 | Q73 | Q73-N75 PolarHBondContact O-N 3.31Š|
| 76 | C | 48.9 | Very low | 75 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | trans | -93.6 | 112.4 | 179.2 | -149.9 | 0 | 0 | 0 | 0 | 110.9 | Q73 V78 | Q73-C76 PolarHBondContact O-N 3.27Å; Q73-C76 VanDerWaalsContact O-N 3.13Å; C76-V78 PolarHBondContact O-N 2.87Å | ||
| 77 | I | 55.6 | Low | 74.9 | Confident | 149 Ų | 149 | 70.8 Ų | 70.8 | 76% | 0.764 | 37% | 0.37 | S | S | * | . | trans | -65.9 | -16.7 | 171.9 | -63.3 | 164.4 | 0 | 0 | 0 | 110.9 | ||||
| 78 | V | 61.8 | Low | 74.6 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 65% | 0.648 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -91.8 | 120.5 | -178.2 | -174 | 0 | 0 | 0 | 0 | 110.7 | C76 Q80 | C76-V78 PolarHBondContact O-N 2.87Å; V78-Q80 PolarHBondContact O-N 3.41Å |
| 79 | L | 75.3 | Confident | 74.3 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 126 | 173.1 | -68.9 | 172.3 | 0 | 0 | 0 | 111 | Y69 F106 L108 | Y69-L79 HydrophobicContact CD1-CB 4.46Å; L79-F106 HydrophobicContact CD1-CE1 4.04Å; L79-F106 HydrophobicContact CD2-CD1 3.62Å; L79-F106 HydrophobicContact CD2-CE1 3.8Å; L79-L108 HydrophobicContact CD1-CB 4.38Å; L79-L108 HydrophobicContact CD1-CD1 4.41Å |
| 80 | Q | 78.8 | Confident | 73.9 | Confident | 107 Ų | 107 | 81.5 Ų | 81.5 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 133.3 | 177.7 | -173.4 | 174.3 | 9.8 | 0 | 0 | 110.5 | Y69 S70 S72 V78 V82 | Y69-Q80 CarbonylContact C-O 3.58Å; Y69-Q80 WeakPolarHBondContact CA-O 3.45Å; S70-Q80 PolarHBondContact N-O 3.23Å; S70-Q80 PolarHBondContact O-N 3.09Å; S72-Q80 PolarHBondContact OG-OE1 2.89Å; V78-Q80 PolarHBondContact O-N 3.41Å; Q80-V82 WeakPolarHBondContact O-CG2 3.46Å; Q80-V82 PolarHBondContact O-N 2.91Å |
| 81 | S | 83.5 | Confident | 73.6 | Confident | 48 Ų | 48 | 85.7 Ų | 85.7 | 34% | 0.336 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.7 | 172 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | V68 | V68-S81 CarbonylContact O-C 3.57Å; V68-S81 WeakPolarHBondContact O-CA 3.43Å |
| 82 | V | 81.7 | Confident | 73.9 | Confident | 46 Ų | 46 | 85.1 Ų | 85.1 | 28% | 0.279 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -25.7 | -174.1 | -146.9 | 0 | 0 | 0 | 0 | 113 | V68 Q80 F98 I102 | V68-V82 PolarHBondContact O-N 3.25Å; Q80-V82 WeakPolarHBondContact O-CG2 3.46Å; Q80-V82 PolarHBondContact O-N 2.91Å; V82-F98 HydrophobicContact CB-CE1 4.47Å; V82-F98 HydrophobicContact CG1-CE1 4.42Å; V82-I102 HydrophobicContact CB-CD1 4.08Å; V82-I102 HydrophobicContact CG1-CD1 3.21Å; V82-I102 HydrophobicContact CG1-CG1 3.77Å |
| 83 | A | 84.2 | Confident | 75 | Confident | 12 Ų | 12 | 87.4 Ų | 87.4 | 10% | 0.099 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 145.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | T67 V68 I96 F98 | T67-A83 WeakPolarHBondContact CA-O 3.22Å; V68-A83 HydrophobicContact CB-CB 4.24Å; V68-A83 HydrophobicContact CG2-CB 4.34Å; V68-A83 PolarHBondContact N-O 2.78Å; V68-A83 PolarHBondContact O-N 3.43Å; A83-I96 HydrophobicContact CB-CG2 3.88Å; A83-F98 HydrophobicContact CB-CE1 4.01Å |
| 84 | K | 87.4 | Confident | 76.3 | Confident | 161 Ų | 161 | 81.3 Ų | 81.3 | 70% | 0.7 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.9 | 164.6 | -69.3 | -172.1 | -175.1 | -169.8 | 0 | 107.4 | I66 T67 | I66-K84 WeakPolarHBondContact O-CA 3.47Å; T67-K84 HydrophobicContact CG2-CD 4.19Å; T67-K84 HydrophobicContact CG2-CG 3.59Å |
| 85 | Y | 89.6 | Confident | 78 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 29% | 0.286 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 141.2 | -174.6 | -168.6 | -98.8 | 0 | 0 | 0 | 110.6 | I66 N94 I96 | I66-Y85 WeakPolarHBondContact CG2-O 3.36Å; I66-Y85 PolarHBondContact N-O 3.14Å; I66-Y85 PolarHBondContact O-N 2.84Å; Y85-N94 HydrophobicContact CE1-CB 3.68Å; Y85-N94 PolarHBondContact OH-OD1 3.09Å; Y85-I96 HydrophobicContact CD1-CD1 4.19Å; Y85-I96 HydrophobicContact CD1-CG1 4.21Å; Y85-I96 HydrophobicContact CD2-CD1 4.4Å; Y85-I96 HydrophobicContact CD2-CG1 3.9Å; Y85-I96 HydrophobicContact CE2-CG1 4.43Å; Y85-I96 HydrophobicContact CG-CD1 3.81Å; Y85-I96 HydrophobicContact CG-CG1 3.77Å |
| 86 | F | 89.7 | Confident | 79.7 | Confident | 117 Ų | 117 | 72 Ų | 72 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.2 | 171.7 | 178.6 | -99.7 | 0 | 0 | 0 | 108.3 | D65 | D65-F86 VanDerWaalsContact OD1-CD2 3.3Å; D65-F86 WeakPolarHBondContact OD1-CD2 3.13Å |
| 87 | F | 89.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 136.2 | 176.2 | 172.7 | -97.7 | 0 | 0 | 0 | 110.2 | I39 P41 T59 S63 F64 N94 | I39-F87 HydrophobicContact CB-CD2 3.98Å; I39-F87 HydrophobicContact CB-CE2 4.21Å; I39-F87 HydrophobicContact CD1-CD2 4.49Å; I39-F87 HydrophobicContact CG2-CD2 3.5Å; I39-F87 VanDerWaalsContact CG2-CD2 3.5Å; I39-F87 HydrophobicContact CG2-CE2 3.57Å; I39-F87 HydrophobicContact CG2-CG 4.29Å; I39-F87 HydrophobicContact CG2-CZ 4.39Å; P41-F87 HydrophobicContact CB-CZ 4.03Å; T59-F87 HydrophobicContact CG2-CD1 4.22Å; T59-F87 HydrophobicContact CG2-CE1 3.68Å; T59-F87 HydrophobicContact CG2-CE2 4.34Å; T59-F87 HydrophobicContact CG2-CZ 3.75Å; S63-F87 WeakPolarHBondContact CA-O 3.45Å; S63-F87 WeakPolarHBondContact CB-O 3.29Å; F64-F87 HydrophobicContact CD1-CB 4.42Å; F64-F87 AromaticContact CD1-CD1 3.69Å; F64-F87 HydrophobicContact CD1-CD1 3.69Å; F64-F87 HydrophobicContact CD1-CE1 4.45Å; F64-F87 HydrophobicContact CD1-CG 4.44Å; F64-F87 HydrophobicContact CD2-CB 4.45Å; F64-F87 HydrophobicContact CE1-CB 4.15Å; F64-F87 AromaticContact CE1-CD1 3.22Å; F64-F87 HydrophobicContact CE1-CD1 3.22Å; F64-F87 AromaticContact CE1-CE1 3.8Å; F64-F87 HydrophobicContact CE1-CE1 3.8Å; F64-F87 AromaticContact CE1-CG 3.87Å; F64-F87 HydrophobicContact CE1-CG 3.87Å; F64-F87 HydrophobicContact CE2-CB 4.18Å; F64-F87 HydrophobicContact CZ-CB 4Å; F64-F87 AromaticContact CZ-CD1 3.79Å; F64-F87 HydrophobicContact CZ-CD1 3.79Å; F64-F87 HydrophobicContact CZ-CE1 4.49Å; F64-F87 AromaticContact CZ-CG 3.95Å; F64-F87 HydrophobicContact CZ-CG 3.95Å; F64-F87 PolarHBondContact N-O 2.85Å; F64-F87 VanDerWaalsContact N-O 3.14Å; F64-F87 PolarHBondContact O-N 2.81Å; F87-N94 HydrophobicContact CD2-CB 4.09Å; F87-N94 WeakPolarHBondContact CD2-ND2 3.3Å; F87-N94 HydrophobicContact CE2-CB 4.46Å; F87-N94 WeakPolarHBondContact CE2-ND2 3.48Å |
| 88 | S | 84.9 | Confident | 82.6 | Confident | 26 Ų | 26 | 71 Ų | 71 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 129.7 | 169.1 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | A62 K90 T91 N94 | A62-S88 CarbonylContact O-C 3.56Å; A62-S88 WeakPolarHBondContact O-CA 3.42Å; S88-K90 PolarHBondContact O-N 3.32Å; S88-T91 PolarHBondContact O-N 2.77Å; S88-T91 PolarHBondContact O-OG1 2.89Å; S88-N94 PolarHBondContact O-ND2 2.79Å |
| 89 | E | 85.1 | Confident | 83 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -61.3 | -28 | 178 | -162.7 | -178.9 | 166.4 | 0 | 0 | 112.1 | P41 A62 T91 G92 | P41-E89 HydrophobicContact CB-CB 4.41Å; P41-E89 HydrophobicContact CB-CG 3.59Å; A62-E89 HydrophobicContact CB-CB 4.07Å; A62-E89 WeakPolarHBondContact CB-OE2 3.4Å; A62-E89 WeakPolarHBondContact O-CB 3.08Å; A62-E89 PolarHBondContact O-N 2.94Å; E89-T91 PolarHBondContact O-N 2.85Å; E89-T91 VanDerWaalsContact O-N 3.16Å; E89-G92 PolarHBondContact O-N 3.34Å |
| 90 | K | 81.8 | Confident | 82.9 | Confident | 199 Ų | 199 | 81.3 Ų | 81.3 | 87% | 0.865 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -62.3 | -22.9 | 179.7 | -65.8 | -176.5 | -179.3 | 178.1 | 0 | 113.8 | S88 G92 | S88-K90 PolarHBondContact O-N 3.32Å; K90-G92 VanDerWaalsContact C-N 3.32Å |
| 91 | T | 78.4 | Confident | 82.9 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 55% | 0.546 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -89.5 | 1 | 178.7 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | S88 E89 N94 | S88-T91 PolarHBondContact O-N 2.77Å; S88-T91 PolarHBondContact O-OG1 2.89Å; E89-T91 PolarHBondContact O-N 2.85Å; E89-T91 VanDerWaalsContact O-N 3.16Å; T91-N94 PolarHBondContact OG1-ND2 3.03Å; T91-N94 PolarHBondContact OG1-OD1 3.46Å |
| 92 | G | 81.6 | Confident | 82.6 | Confident | 29 Ų | 29 | 78.2 Ų | 78.2 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 68.4 | -143.1 | -175 | 0 | 0 | 0 | 0 | 0 | 111.4 | P41 E89 K90 N94 | P41-G92 WeakPolarHBondContact CG-O 3.37Å; E89-G92 PolarHBondContact O-N 3.34Å; K90-G92 VanDerWaalsContact C-N 3.32Å; G92-N94 PolarHBondContact O-N 2.82Å; G92-N94 VanDerWaalsContact O-N 3.11Å; G92-N94 PolarHBondContact O-ND2 3.12Å |
| 93 | I | 82.1 | Confident | 82.5 | Confident | 87 Ų | 87 | 80.1 Ų | 80.1 | 45% | 0.446 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -65.5 | 113.1 | -178.6 | -57.2 | 179.1 | 0 | 0 | 0 | 109.5 | C38 L40 | C38-I93 HydrophobicContact CB-CG2 4.28Å; L40-I93 HydrophobicContact CD2-CB 4.41Å; L40-I93 HydrophobicContact CD2-CD1 3.81Å; L40-I93 HydrophobicContact CD2-CG1 3.83Å; L40-I93 HydrophobicContact CD2-CG2 3.84Å |
| 94 | N | 83.8 | Confident | 82.3 | Confident | 5 Ų | 5 | 79.5 Ų | 79.5 | 3% | 0.027 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.5 | -176.9 | -81.6 | -65.6 | 0 | 0 | 0 | 110.2 | C38 I39 Y85 F87 S88 T91 G92 | C38-N94 CarbonylContact C-O 3.42Å; C38-N94 WeakPolarHBondContact CA-O 3.43Å; I39-N94 HydrophobicContact CB-CB 4.44Å; I39-N94 PolarHBondContact N-O 2.94Å; I39-N94 PolarHBondContact O-N 2.95Å; I39-N94 VanDerWaalsContact O-N 3.1Å; Y85-N94 HydrophobicContact CE1-CB 3.68Å; Y85-N94 PolarHBondContact OH-OD1 3.09Å; F87-N94 HydrophobicContact CD2-CB 4.09Å; F87-N94 WeakPolarHBondContact CD2-ND2 3.3Å; F87-N94 HydrophobicContact CE2-CB 4.46Å; F87-N94 WeakPolarHBondContact CE2-ND2 3.48Å; S88-N94 PolarHBondContact O-ND2 2.79Å; T91-N94 PolarHBondContact OG1-ND2 3.03Å; T91-N94 PolarHBondContact OG1-OD1 3.46Å; G92-N94 PolarHBondContact O-N 2.82Å; G92-N94 VanDerWaalsContact O-N 3.11Å; G92-N94 PolarHBondContact O-ND2 3.12Å |
| 95 | T | 85 | Confident | 82 | Confident | 40 Ų | 40 | 74.8 Ų | 74.8 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.5 | 179.9 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | K36 I37 C38 Y97 | K36-T95 HydrophobicContact CB-CG2 4.2Å; K36-T95 HydrophobicContact CD-CG2 4.09Å; I37-T95 CarbonylContact O-C 3.53Å; I37-T95 WeakPolarHBondContact O-CA 3.19Å; C38-T95 PolarHBondContact SG-OG1 3.16Å; T95-Y97 HydrophobicContact CG2-CD1 4.45Å; T95-Y97 HydrophobicContact CG2-CD2 3.86Å; T95-Y97 HydrophobicContact CG2-CE1 4.05Å; T95-Y97 HydrophobicContact CG2-CE2 3.38Å; T95-Y97 HydrophobicContact CG2-CG 4.38Å; T95-Y97 VanDerWaalsContact CG2-CZ 3.5Å |
| 96 | I | 86.3 | Confident | 81.8 | Confident | 15 Ų | 15 | 73.1 Ų | 73.1 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 109 | 174 | -53.3 | 170.5 | 0 | 0 | 0 | 107.8 | K36 I37 I39 A83 Y85 | K36-I96 WeakPolarHBondContact CA-O 3.47Å; I37-I96 HydrophobicContact CB-CB 4.27Å; I37-I96 PolarHBondContact N-O 3.38Å; I37-I96 PolarHBondContact O-N 2.77Å; I39-I96 HydrophobicContact CD1-CD1 4.22Å; A83-I96 HydrophobicContact CB-CG2 3.88Å; Y85-I96 HydrophobicContact CD1-CD1 4.19Å; Y85-I96 HydrophobicContact CD1-CG1 4.21Å; Y85-I96 HydrophobicContact CD2-CD1 4.4Å; Y85-I96 HydrophobicContact CD2-CG1 3.9Å; Y85-I96 HydrophobicContact CE2-CG1 4.43Å; Y85-I96 HydrophobicContact CG-CD1 3.81Å; Y85-I96 HydrophobicContact CG-CG1 3.77Å |
| 97 | Y | 82.9 | Confident | 81.8 | Confident | 161 Ų | 161 | 67.5 Ų | 67.5 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.5 | 175.1 | -68.2 | -86.3 | 0 | 0 | 0 | 110.8 | K36 T95 | K36-Y97 HydrophobicContact CB-CD1 3.93Å; K36-Y97 HydrophobicContact CB-CE1 4.2Å; K36-Y97 HydrophobicContact CD-CE1 3.93Å; T95-Y97 HydrophobicContact CG2-CD1 4.45Å; T95-Y97 HydrophobicContact CG2-CD2 3.86Å; T95-Y97 HydrophobicContact CG2-CE1 4.05Å; T95-Y97 HydrophobicContact CG2-CE2 3.38Å; T95-Y97 HydrophobicContact CG2-CG 4.38Å; T95-Y97 VanDerWaalsContact CG2-CZ 3.5Å |
| 98 | F | 80.9 | Confident | 81.9 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.9 | 173.9 | -61.5 | -63.4 | 0 | 0 | 0 | 110.6 | L34 V35 I37 V82 A83 K100 I102 | L34-F98 HydrophobicContact CB-CD2 4.33Å; L34-F98 HydrophobicContact CB-CE2 4.05Å; V35-F98 PolarHBondContact O-N 3.5Å; I37-F98 HydrophobicContact CD1-CE2 3.85Å; I37-F98 HydrophobicContact CD1-CZ 3.43Å; I37-F98 VanDerWaalsContact CD1-CZ 3.43Å; I37-F98 HydrophobicContact CG1-CE2 3.59Å; I37-F98 HydrophobicContact CG1-CZ 3.68Å; V82-F98 HydrophobicContact CB-CE1 4.47Å; V82-F98 HydrophobicContact CG1-CE1 4.42Å; A83-F98 HydrophobicContact CB-CE1 4.01Å; F98-K100 WeakPolarHBondContact CB-O 3.23Å; F98-K100 PolarHBondContact O-N 2.8Å; F98-I102 HydrophobicContact CB-CD1 3.86Å; F98-I102 HydrophobicContact CB-CG1 4.43Å; F98-I102 HydrophobicContact CD1-CD1 3.16Å; F98-I102 HydrophobicContact CD1-CG1 4.43Å; F98-I102 HydrophobicContact CD2-CD1 3.63Å; F98-I102 HydrophobicContact CE1-CD1 3.33Å; F98-I102 HydrophobicContact CE2-CD1 3.79Å; F98-I102 HydrophobicContact CG-CD1 3.28Å; F98-I102 HydrophobicContact CG-CG1 4.3Å; F98-I102 HydrophobicContact CZ-CD1 3.63Å |
| 99 | K | 71.2 | Confident | 82.3 | Confident | 220 Ų | 220 | 67.9 Ų | 67.9 | 96% | 0.957 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -26.4 | -179.1 | -69.5 | -176.2 | 178.9 | 178.6 | 0 | 113.1 | ||
| 100 | K | 73.8 | Confident | 82.6 | Confident | 170 Ų | 170 | 69 Ų | 69 | 74% | 0.739 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.5 | 169.9 | -68.8 | -177.2 | 178 | -178.8 | 0 | 107.3 | F98 I102 | F98-K100 WeakPolarHBondContact CB-O 3.23Å; F98-K100 PolarHBondContact O-N 2.8Å; K100-I102 PolarHBondContact O-N 3.44Å |
| 101 | P | 77.4 | Confident | 83 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 133.9 | 174.7 | 22.9 | -30.7 | 0 | 0 | 0 | 110.1 | E33 L34 V35 | E33-P101 HydrophobicContact CB-CB 4.25Å; E33-P101 HydrophobicContact CG-CB 4.42Å; L34-P101 VanDerWaalsContact O-CA 3.26Å; L34-P101 WeakPolarHBondContact O-CA 3.13Å; V35-P101 HydrophobicContact CG2-CB 4.48Å |
| 102 | I | 77.4 | Confident | 83.3 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.5 | -175.5 | -59.7 | 147.1 | 0 | 0 | 0 | 108.1 | I32 E33 L34 V82 F98 K100 S104 | I32-I102 VanDerWaalsContact O-O 3.08Å; E33-I102 WeakPolarHBondContact CA-O 3.27Å; L34-I102 HydrophobicContact CB-CB 4.46Å; L34-I102 PolarHBondContact N-O 3.33Å; L34-I102 PolarHBondContact O-N 3.34Å; V82-I102 HydrophobicContact CB-CD1 4.08Å; V82-I102 HydrophobicContact CG1-CD1 3.21Å; V82-I102 HydrophobicContact CG1-CG1 3.77Å; F98-I102 HydrophobicContact CB-CD1 3.86Å; F98-I102 HydrophobicContact CB-CG1 4.43Å; F98-I102 HydrophobicContact CD1-CD1 3.16Å; F98-I102 HydrophobicContact CD1-CG1 4.43Å; F98-I102 HydrophobicContact CD2-CD1 3.63Å; F98-I102 HydrophobicContact CE1-CD1 3.33Å; F98-I102 HydrophobicContact CE2-CD1 3.79Å; F98-I102 HydrophobicContact CG-CD1 3.28Å; F98-I102 HydrophobicContact CG-CG1 4.3Å; F98-I102 HydrophobicContact CZ-CD1 3.63Å; K100-I102 PolarHBondContact O-N 3.44Å; I102-S104 PolarHBondContact O-N 3.09Å |
| 103 | Q | 79.4 | Confident | 83.7 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 116.6 | 168.1 | -73.2 | -178.8 | 1.1 | 0 | 0 | 108.6 | I32 E33 S72 | I32-Q103 CarbonylContact O-C 3.59Å; I32-Q103 WeakPolarHBondContact O-CA 3.45Å; E33-Q103 HydrophobicContact CG-CG 3.45Å; E33-Q103 VanDerWaalsContact CG-CG 3.45Å; E33-Q103 PolarHBondContact OE1-NE2 3.43Å; S72-Q103 WeakPolarHBondContact CA-O 3.34Å |
| 104 | S | 79.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 146 | 178.5 | -164.8 | 0 | 0 | 0 | 0 | 111 | I32 S70 I102 F106 | I32-S104 PolarHBondContact N-O 3.44Å; I32-S104 PolarHBondContact O-N 3.39Å; S70-S104 WeakPolarHBondContact CB-OG 3.41Å; S70-S104 WeakPolarHBondContact OG-CB 3.45Å; S70-S104 PolarHBondContact OG-OG 3.13Å; S70-S104 VanDerWaalsContact OG-OG 3.06Å; I102-S104 PolarHBondContact O-N 3.09Å; S104-F106 PolarHBondContact OG-N 2.98Å; S104-F106 VanDerWaalsContact OG-N 3.11Å; S104-F106 PolarHBondContact OG-O 2.99Å |
| 105 | N | 81.6 | Confident | 84.1 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -5.2 | 164.6 | 56.2 | -5.5 | 0 | 0 | 0 | 112 | R27 F28 | R27-N105 WeakPolarHBondContact CA-O 3.22Å; F28-N105 PolarHBondContact N-O 3.08Å |
| 106 | F | 86.2 | Confident | 84.4 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 129.3 | -177.4 | -175.7 | -95.8 | 0 | 0 | 0 | 112.1 | C25 V26 R27 S70 L79 S104 L108 | C25-F106 HydrophobicContact CB-CE1 4.43Å; C25-F106 HydrophobicContact CB-CE2 3.66Å; C25-F106 HydrophobicContact CB-CZ 3.53Å; V26-F106 CarbonylContact O-C 3.27Å; V26-F106 WeakPolarHBondContact O-CA 3.39Å; R27-F106 HydrophobicContact CB-CD2 4.04Å; R27-F106 HydrophobicContact CG-CD2 4.33Å; S70-F106 WeakPolarHBondContact CA-O 3.42Å; S70-F106 WeakPolarHBondContact CB-O 3.25Å; L79-F106 HydrophobicContact CD1-CE1 4.04Å; L79-F106 HydrophobicContact CD2-CD1 3.62Å; L79-F106 HydrophobicContact CD2-CE1 3.8Å; S104-F106 PolarHBondContact OG-N 2.98Å; S104-F106 VanDerWaalsContact OG-N 3.11Å; S104-F106 PolarHBondContact OG-O 2.99Å; F106-L108 HydrophobicContact CE1-CB 3.99Å; F106-L108 HydrophobicContact CE1-CD1 4.29Å; F106-L108 HydrophobicContact CZ-CD1 4.26Å |
| 107 | L | 88.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.7 | 173.3 | -76.4 | 165.2 | 0 | 0 | 0 | 110.1 | C25 V26 F28 L34 V68 Y69 F109 L120 | C25-L107 CarbonylContact C-O 3.5Å; C25-L107 WeakPolarHBondContact CA-O 3.29Å; C25-L107 VanDerWaalsContact CB-O 3.29Å; C25-L107 WeakPolarHBondContact CB-O 3.5Å; V26-L107 HydrophobicContact CB-CB 4.41Å; V26-L107 PolarHBondContact N-O 2.85Å; V26-L107 PolarHBondContact O-N 2.8Å; F28-L107 HydrophobicContact CE2-CD1 4Å; F28-L107 HydrophobicContact CZ-CD1 4.32Å; L34-L107 HydrophobicContact CD1-CD1 3.5Å; L34-L107 HydrophobicContact CD1-CD2 3.87Å; L34-L107 HydrophobicContact CD1-CG 3.81Å; L34-L107 HydrophobicContact CD2-CD1 4.02Å; L34-L107 HydrophobicContact CG-CD1 4.41Å; V68-L107 HydrophobicContact CG1-CD2 3.74Å; Y69-L107 CarbonylContact O-C 3.09Å; Y69-L107 VanDerWaalsContact O-CA 3.31Å; Y69-L107 WeakPolarHBondContact O-CA 3.26Å; L107-F109 HydrophobicContact CB-CE2 4.12Å; L107-F109 HydrophobicContact CB-CZ 4.41Å; L107-F109 HydrophobicContact CD1-CZ 4.37Å; L107-L120 HydrophobicContact CD1-CD1 3.54Å; L107-L120 HydrophobicContact CD1-CD2 4.3Å |
| 108 | L | 91.5 | Very high | 85 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.7 | 174.6 | -174.9 | 119.8 | 0 | 0 | 0 | 109.9 | V23 D24 C25 V68 Y69 L79 F106 | V23-L108 HydrophobicContact CG1-CD1 3.66Å; V23-L108 HydrophobicContact CG1-CD2 3.81Å; V23-L108 HydrophobicContact CG1-CG 3.7Å; D24-L108 CarbonylContact O-C 3.55Å; D24-L108 WeakPolarHBondContact O-CA 3.44Å; C25-L108 HydrophobicContact CB-CD1 4.29Å; V68-L108 CarbonylContact C-O 3.54Å; V68-L108 WeakPolarHBondContact CA-O 3.43Å; Y69-L108 HydrophobicContact CD2-CD2 3.69Å; Y69-L108 HydrophobicContact CE2-CD2 4.28Å; Y69-L108 HydrophobicContact CG-CD2 4.34Å; Y69-L108 PolarHBondContact N-O 3.29Å; Y69-L108 PolarHBondContact O-N 3.09Å; L79-L108 HydrophobicContact CD1-CB 4.38Å; L79-L108 HydrophobicContact CD1-CD1 4.41Å; F106-L108 HydrophobicContact CE1-CB 3.99Å; F106-L108 HydrophobicContact CE1-CD1 4.29Å; F106-L108 HydrophobicContact CZ-CD1 4.26Å |
| 109 | F | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.1 | 176.7 | -61.8 | -85.3 | 0 | 0 | 0 | 108.9 | F13 V23 D24 V26 I37 I66 V68 L107 L116 I118 L120 | F13-F109 HydrophobicContact CE2-CD2 4.38Å; V23-F109 CarbonylContact C-O 3.58Å; V23-F109 VanDerWaalsContact CA-O 3.23Å; V23-F109 WeakPolarHBondContact CA-O 3.33Å; D24-F109 PolarHBondContact N-O 3.36Å; D24-F109 PolarHBondContact O-N 3.23Å; V26-F109 HydrophobicContact CG2-CE2 3.92Å; I37-F109 HydrophobicContact CD1-CE1 4.07Å; I37-F109 HydrophobicContact CD1-CZ 4.27Å; I66-F109 HydrophobicContact CD1-CB 4.34Å; I66-F109 HydrophobicContact CD1-CD1 3.95Å; V68-F109 HydrophobicContact CG1-CD1 4.33Å; V68-F109 HydrophobicContact CG1-CE1 3.98Å; V68-F109 HydrophobicContact CG1-CZ 4.41Å; V68-F109 HydrophobicContact CG2-CD1 3.73Å; V68-F109 HydrophobicContact CG2-CE1 3.74Å; L107-F109 HydrophobicContact CB-CE2 4.12Å; L107-F109 HydrophobicContact CB-CZ 4.41Å; L107-F109 HydrophobicContact CD1-CZ 4.37Å; F109-L116 HydrophobicContact CB-CD2 4.47Å; F109-I118 HydrophobicContact CD1-CD1 3.67Å; F109-I118 HydrophobicContact CD2-CD1 4.33Å; F109-I118 HydrophobicContact CE1-CD1 3.66Å; F109-I118 HydrophobicContact CE2-CD1 4.33Å; F109-I118 HydrophobicContact CG-CD1 4.04Å; F109-I118 HydrophobicContact CZ-CD1 4.02Å; F109-L120 HydrophobicContact CZ-CD1 4.46Å; F109-L120 HydrophobicContact CZ-CD2 4Å |
| 110 | R | 91.5 | Very high | 86.3 | Confident | 99 Ų | 99 | 35 Ų | 35 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.3 | 176.4 | 176.4 | 177.3 | 174.7 | -167.7 | -1.6 | 109.8 | E21 S22 V23 I66 T67 Y69 | E21-R110 IonicContact OE1-NH2 3.74Å; E21-R110 IonicContact OE2-CZ 3.24Å; E21-R110 VanDerWaalsContact OE2-CZ 3.24Å; E21-R110 IonicContact OE2-NE 2.95Å; E21-R110 PolarHBondContact OE2-NE 3.41Å; E21-R110 IonicContact OE2-NH2 2.69Å; E21-R110 PolarHBondContact OE2-NH2 3.15Å; S22-R110 WeakPolarHBondContact O-CA 3.45Å; V23-R110 HydrophobicContact CG2-CB 4.3Å; V23-R110 HydrophobicContact CG2-CG 4.08Å; I66-R110 CarbonylContact C-O 3.48Å; I66-R110 WeakPolarHBondContact CA-O 3.24Å; T67-R110 PolarHBondContact N-O 3.47Å; T67-R110 PolarHBondContact O-N 2.98Å; Y69-R110 HydrophobicContact CE2-CB 4.25Å |
| 111 | G | 89.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 6% | 0.062 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | -176.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E21 S22 D65 | E21-G111 CarbonylContact C-O 3.56Å; E21-G111 WeakPolarHBondContact CA-O 3.47Å; S22-G111 PolarHBondContact N-O 2.94Å; S22-G111 PolarHBondContact O-N 3.27Å; S22-G111 PolarHBondContact OG-O 3.01Å; D65-G111 VanDerWaalsContact O-CA 3.22Å; D65-G111 WeakPolarHBondContact O-CA 3.19Å |
| 112 | M | 85.2 | Confident | 87.3 | Confident | 101 Ų | 101 | 25 Ų | 25 | 50% | 0.498 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -104.8 | 71 | 177.7 | -70.2 | -87.6 | -112.7 | 0 | 0 | 109.9 | E21 P61 F64 | E21-M112 HydrophobicContact CB-SD 4.37Å; E21-M112 HydrophobicContact CG-CG 4.04Å; E21-M112 HydrophobicContact CG-SD 3.63Å; P61-M112 WeakPolarHBondContact CD-O 3.43Å; F64-M112 WeakPolarHBondContact CB-O 3.28Å |
| 113 | Y | 90.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | trans | -128.4 | 142.2 | -178.5 | 56.8 | -95.6 | 0 | 0 | 0 | 112 | H15 S22 D24 F64 I66 L116 | H15-Y113 AromaticContact CD2-CE2 3.88Å; S22-Y113 VanDerWaalsContact OG-CD2 3.29Å; S22-Y113 WeakPolarHBondContact OG-CD2 3.23Å; S22-Y113 WeakPolarHBondContact OG-CE1 3.43Å; S22-Y113 VanDerWaalsContact OG-CE2 3.27Å; S22-Y113 WeakPolarHBondContact OG-CE2 3.39Å; S22-Y113 PolarHBondContact OG-N 3.44Å; S22-Y113 PolarHBondContact OG-O 2.79Å; D24-Y113 WeakPolarHBondContact OD2-CE2 3.27Å; D24-Y113 VanDerWaalsContact OD2-CZ 3.28Å; D24-Y113 PolarHBondContact OD2-OH 3.23Å; F64-Y113 HydrophobicContact CD2-CD1 4.09Å; F64-Y113 AromaticContact CE2-CD1 3.78Å; F64-Y113 HydrophobicContact CE2-CD1 3.78Å; F64-Y113 HydrophobicContact CE2-CG 4.24Å; F64-Y113 HydrophobicContact CZ-CD1 4.39Å; F64-Y113 HydrophobicContact CZ-CG 4.43Å; I66-Y113 HydrophobicContact CD1-CE1 4.38Å; Y113-L116 HydrophobicContact CD1-CB 4.44Å; Y113-L116 HydrophobicContact CD1-CD2 3.99Å; Y113-L116 HydrophobicContact CD2-CB 3.38Å; Y113-L116 HydrophobicContact CD2-CD2 4.09Å; Y113-L116 HydrophobicContact CD2-CG 4.34Å; Y113-L116 HydrophobicContact CE1-CD2 3.54Å; Y113-L116 HydrophobicContact CE2-CB 3.54Å; Y113-L116 HydrophobicContact CE2-CD2 3.64Å; Y113-L116 HydrophobicContact CE2-CG 4.26Å; Y113-L116 HydrophobicContact CG-CB 3.87Å; Y113-L116 HydrophobicContact CG-CD2 4.25Å | ||
| 114 | S | 85.3 | Confident | 87.2 | Confident | 14 Ų | 14 | 26.3 Ų | 26.3 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -84.6 | -34.7 | 170.4 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | T14 H15 N60 | T14-S114 CarbonylContact C-O 3.51Å; H15-S114 PolarHBondContact N-O 3.41Å; N60-S114 PolarHBondContact ND2-OG 2.8Å; N60-S114 PolarHBondContact O-N 2.57Å; N60-S114 PolarHBondContact O-OG 3.32Å |
| 115 | T | 88.4 | Confident | 86.6 | Confident | 29 Ų | 29 | 27.8 Ų | 27.8 | 18% | 0.178 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.2 | 177.5 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | F13 T14 A58 T59 N60 | F13-T115 CarbonylContact O-C 3.6Å; F13-T115 WeakPolarHBondContact O-CA 3.47Å; T14-T115 HydrophobicContact CG2-CG2 3.83Å; A58-T115 VanDerWaalsContact O-CB 3.24Å; A58-T115 WeakPolarHBondContact O-CB 3.41Å; A58-T115 PolarHBondContact O-OG1 3.43Å; T59-T115 CarbonylContact C-O 3.54Å; T59-T115 VanDerWaalsContact CA-O 3.28Å; T59-T115 WeakPolarHBondContact CA-O 3.42Å; N60-T115 WeakPolarHBondContact CB-OG1 3.4Å; N60-T115 PolarHBondContact N-O 3.4Å; N60-T115 PolarHBondContact N-OG1 3.41Å; N60-T115 PolarHBondContact O-N 3.28Å; N60-T115 VanDerWaalsContact O-N 3.1Å; N60-T115 VanDerWaalsContact O-O 3.09Å |
| 116 | L | 92.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 112.1 | -175.5 | 172.4 | 66.6 | 0 | 0 | 0 | 110.4 | T12 F13 I39 T59 F64 I66 F109 Y113 I118 | T12-L116 CarbonylContact C-O 3.54Å; T12-L116 WeakPolarHBondContact CA-O 3.13Å; F13-L116 HydrophobicContact CB-CB 4.5Å; F13-L116 HydrophobicContact CD2-CD2 4.32Å; F13-L116 HydrophobicContact CD2-CG 4.47Å; F13-L116 PolarHBondContact N-O 3.29Å; F13-L116 PolarHBondContact O-N 2.79Å; I39-L116 HydrophobicContact CG2-CD1 3.77Å; T59-L116 HydrophobicContact CG2-CD1 4.23Å; F64-L116 HydrophobicContact CE2-CD1 4.27Å; F64-L116 HydrophobicContact CZ-CD1 3.83Å; I66-L116 HydrophobicContact CD1-CD1 4.13Å; I66-L116 HydrophobicContact CD1-CD2 3.59Å; F109-L116 HydrophobicContact CB-CD2 4.47Å; Y113-L116 HydrophobicContact CD1-CB 4.44Å; Y113-L116 HydrophobicContact CD1-CD2 3.99Å; Y113-L116 HydrophobicContact CD2-CB 3.38Å; Y113-L116 HydrophobicContact CD2-CD2 4.09Å; Y113-L116 HydrophobicContact CD2-CG 4.34Å; Y113-L116 HydrophobicContact CE1-CD2 3.54Å; Y113-L116 HydrophobicContact CE2-CB 3.54Å; Y113-L116 HydrophobicContact CE2-CD2 3.64Å; Y113-L116 HydrophobicContact CE2-CG 4.26Å; Y113-L116 HydrophobicContact CG-CB 3.87Å; Y113-L116 HydrophobicContact CG-CD2 4.25Å; L116-I118 HydrophobicContact CD1-CD1 3.96Å; L116-I118 HydrophobicContact CD1-CG1 3.88Å; L116-I118 HydrophobicContact CD2-CD1 3.41Å; L116-I118 VanDerWaalsContact CD2-CD1 3.41Å; L116-I118 HydrophobicContact CD2-CG1 4.22Å; L116-I118 HydrophobicContact CG-CD1 3.53Å; L116-I118 HydrophobicContact CG-CG1 3.77Å |
| 117 | T | 91.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.6 | 177.3 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | F10 T12 L40 A58 T59 | F10-T117 HydrophobicContact CE2-CG2 4.49Å; T12-T117 WeakPolarHBondContact CG2-OG1 3.14Å; T12-T117 WeakPolarHBondContact OG1-CB 3.29Å; T12-T117 VanDerWaalsContact OG1-CG2 3.3Å; T12-T117 WeakPolarHBondContact OG1-CG2 3.4Å; T12-T117 PolarHBondContact OG1-OG1 3.34Å; L40-T117 HydrophobicContact CB-CG2 4.14Å; L40-T117 HydrophobicContact CD1-CG2 3.95Å; L40-T117 PolarHBondContact N-O 2.81Å; A58-T117 PolarHBondContact N-OG1 3.25Å; T59-T117 PolarHBondContact OG1-N 2.77Å |
| 118 | I | 90.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.7 | -174.8 | -67.9 | 164.2 | 0 | 0 | 0 | 111.7 | F10 D11 F13 I37 C38 I39 F109 L116 L120 | F10-I118 WeakPolarHBondContact CA-O 3.33Å; D11-I118 PolarHBondContact N-O 3.11Å; D11-I118 PolarHBondContact O-N 2.82Å; F13-I118 HydrophobicContact CD2-CD1 4.48Å; F13-I118 HydrophobicContact CE2-CD1 4.25Å; I37-I118 HydrophobicContact CG2-CG2 3.73Å; C38-I118 CarbonylContact O-C 3.49Å; C38-I118 WeakPolarHBondContact O-CA 3.5Å; I39-I118 HydrophobicContact CG1-CG1 4.31Å; F109-I118 HydrophobicContact CD1-CD1 3.67Å; F109-I118 HydrophobicContact CD2-CD1 4.33Å; F109-I118 HydrophobicContact CE1-CD1 3.66Å; F109-I118 HydrophobicContact CE2-CD1 4.33Å; F109-I118 HydrophobicContact CG-CD1 4.04Å; F109-I118 HydrophobicContact CZ-CD1 4.02Å; L116-I118 HydrophobicContact CD1-CD1 3.96Å; L116-I118 HydrophobicContact CD1-CG1 3.88Å; L116-I118 HydrophobicContact CD2-CD1 3.41Å; L116-I118 VanDerWaalsContact CD2-CD1 3.41Å; L116-I118 HydrophobicContact CD2-CG1 4.22Å; L116-I118 HydrophobicContact CG-CD1 3.53Å; L116-I118 HydrophobicContact CG-CG1 3.77Å; I118-L120 HydrophobicContact CG2-CD2 3.64Å; I118-L120 HydrophobicContact CG2-CG 4.03Å |
| 119 | A | 87.7 | Confident | 78.8 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F9 F10 C38 F121 | F9-A119 CarbonylContact O-C 3.44Å; F9-A119 WeakPolarHBondContact O-CA 3.46Å; F10-A119 HydrophobicContact CD2-CB 3.52Å; F10-A119 HydrophobicContact CE2-CB 3.95Å; C38-A119 HydrophobicContact CB-CB 4.23Å; C38-A119 PolarHBondContact N-O 3.38Å; C38-A119 PolarHBondContact O-N 2.69Å; A119-F121 HydrophobicContact CB-CD2 4.48Å; A119-F121 HydrophobicContact CB-CE2 3.84Å |
| 120 | L | 89.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.9 | 175.7 | -55.5 | 179.6 | 0 | 0 | 0 | 110.4 | I7 V8 F9 V26 F28 L34 I37 L107 F109 I118 | I7-L120 CarbonylContact C-O 3.56Å; I7-L120 WeakPolarHBondContact CA-O 2.9Å; V8-L120 PolarHBondContact N-O 2.85Å; F9-L120 HydrophobicContact CB-CB 4.03Å; F9-L120 HydrophobicContact CB-CD1 3.86Å; F9-L120 HydrophobicContact CB-CG 4.08Å; F9-L120 HydrophobicContact CD1-CD1 3.88Å; F9-L120 HydrophobicContact CD1-CG 3.99Å; F9-L120 HydrophobicContact CG-CD1 4.12Å; F9-L120 HydrophobicContact CG-CG 4.47Å; F9-L120 PolarHBondContact O-N 2.95Å; V26-L120 HydrophobicContact CB-CD1 4.39Å; V26-L120 HydrophobicContact CG1-CD1 4.16Å; V26-L120 HydrophobicContact CG2-CD1 4.29Å; F28-L120 HydrophobicContact CZ-CD1 3.78Å; L34-L120 HydrophobicContact CD2-CB 4.18Å; I37-L120 HydrophobicContact CB-CD2 4.07Å; I37-L120 HydrophobicContact CD1-CD2 3.68Å; I37-L120 HydrophobicContact CG1-CD2 3.52Å; I37-L120 HydrophobicContact CG2-CD2 3.79Å; L107-L120 HydrophobicContact CD1-CD1 3.54Å; L107-L120 HydrophobicContact CD1-CD2 4.3Å; F109-L120 HydrophobicContact CZ-CD1 4.46Å; F109-L120 HydrophobicContact CZ-CD2 4Å; I118-L120 HydrophobicContact CG2-CD2 3.64Å; I118-L120 HydrophobicContact CG2-CG 4.03Å |
| 121 | F | 87.6 | Confident | 72.7 | Confident | 32 Ų | 32 | 49 Ų | 49 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.6 | 179 | -68 | -102.6 | 0 | 0 | 0 | 110.9 | P5 Y6 I7 V35 K36 C38 A119 | P5-F121 HydrophobicContact CB-CB 4.17Å; Y6-F121 CarbonylContact O-C 3.51Å; Y6-F121 WeakPolarHBondContact O-CA 3.28Å; I7-F121 HydrophobicContact CD1-CE1 3.98Å; I7-F121 HydrophobicContact CD1-CZ 3.95Å; I7-F121 HydrophobicContact CG1-CD1 3.76Å; I7-F121 HydrophobicContact CG1-CE1 3.27Å; I7-F121 HydrophobicContact CG1-CE2 4.25Å; I7-F121 HydrophobicContact CG1-CG 4.43Å; I7-F121 HydrophobicContact CG1-CZ 3.56Å; V35-F121 PolarHBondContact N-O 3.11Å; K36-F121 HydrophobicContact CD-CB 4.25Å; K36-F121 HydrophobicContact CD-CD2 4.12Å; K36-F121 HydrophobicContact CD-CG 4.14Å; K36-F121 HydrophobicContact CG-CB 3.47Å; K36-F121 VanDerWaalsContact CG-CB 3.47Å; K36-F121 HydrophobicContact CG-CD2 3.8Å; K36-F121 HydrophobicContact CG-CG 3.79Å; K36-F121 PolarHBondContact N-O 3.17Å; K36-F121 PolarHBondContact O-N 2.89Å; C38-F121 HydrophobicContact CB-CE2 4.33Å; A119-F121 HydrophobicContact CB-CD2 4.48Å; A119-F121 HydrophobicContact CB-CE2 3.84Å |
| 122 | G | 86.2 | Confident | 69.6 | Low | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | -176.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y6 E33 | Y6-G122 PolarHBondContact N-O 3.22Å; Y6-G122 PolarHBondContact O-N 2.92Å; E33-G122 CarbonylContact O-C 3.57Å; E33-G122 WeakPolarHBondContact O-CA 3.1Å |
| 123 | L | 81.8 | Confident | 66.7 | Low | 38 Ų | 38 | 55.6 Ų | 55.6 | 20% | 0.199 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.8 | 176.7 | -64.4 | 164.7 | 0 | 0 | 0 | 108.4 | P3 Y6 I32 E33 T125 | P3-L123 HydrophobicContact CB-CD2 3.89Å; P3-L123 HydrophobicContact CG-CD1 3.97Å; P3-L123 HydrophobicContact CG-CD2 3.92Å; Y6-L123 HydrophobicContact CD2-CD2 4.06Å; Y6-L123 HydrophobicContact CE2-CD2 4.16Å; I32-L123 WeakPolarHBondContact CA-O 3.25Å; E33-L123 HydrophobicContact CB-CB 4.49Å; E33-L123 PolarHBondContact N-O 2.78Å; E33-L123 PolarHBondContact O-N 2.92Å; L123-T125 PolarHBondContact O-N 3.34Å |
| 124 | P | 72.7 | Confident | 63.7 | Low | 93 Ų | 93 | 61 Ų | 61 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 133.2 | 172.6 | 26.8 | -31.8 | 0 | 0 | 0 | 109.4 | ||
| 125 | T | 66.2 | Low | 60.9 | Low | 31 Ų | 31 | 66.5 Ų | 66.5 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | trans | -116.7 | 147.9 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | G31 E33 L123 | G31-T125 WeakPolarHBondContact O-CA 3.45Å; G31-T125 PolarHBondContact O-N 3.05Å; G31-T125 VanDerWaalsContact O-O 3.06Å; G31-T125 PolarHBondContact O-OG1 3.32Å; E33-T125 HydrophobicContact CB-CG2 3.94Å; E33-T125 HydrophobicContact CG-CG2 3.58Å; L123-T125 PolarHBondContact O-N 3.34Å | ||
| 126 | M | 55 | Low | 57.9 | Low | 169 Ų | 169 | 69.3 Ų | 69.3 | 83% | 0.833 | 42% | 0.415 | S | S | * | . | trans | -63.3 | 144.3 | 173.6 | -83.3 | -94.7 | 59.4 | 0 | 0 | 110.3 | L128 | M126-L128 PolarHBondContact O-N 3.04Š| ||
| 127 | S | 48.1 | Very low | 54.8 | Low | 85 Ų | 85 | 75.2 Ų | 75.2 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | trans | -31 | 126.5 | -173.7 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | S129 | S127-S129 PolarHBondContact O-N 2.6Š| ||
| 128 | L | 44.2 | Very low | 51.6 | Low | 47 Ų | 47 | 81.6 Ų | 81.6 | 25% | 0.246 | 49% | 0.485 | C | S | . | . | trans | -56 | 107 | 166.1 | -86.4 | 82 | 0 | 0 | 0 | 106.1 | T74 M126 V130 | T74-L128 HydrophobicContact CG2-CB 4.27Å; T74-L128 HydrophobicContact CG2-CD2 3.65Å; T74-L128 HydrophobicContact CG2-CG 4.3Å; M126-L128 PolarHBondContact O-N 3.04Å; L128-V130 PolarHBondContact O-N 2.83Å | ||
| 129 | S | 37.1 | Very low | 48.7 | Very low | 86 Ų | 86 | 89.3 Ų | 89.3 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | trans | -55.5 | 115.4 | -169.8 | 55 | 0 | 0 | 0 | 0 | 109.5 | S127 Q131 | S127-S129 PolarHBondContact O-N 2.6Å; S129-Q131 PolarHBondContact O-N 2.94Å | ||
| 130 | V | 28.5 | Very low | 45.7 | Very low | 120 Ų | 120 | 93 Ų | 93 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | trans | -62.7 | 83.9 | 169.5 | -179 | 0 | 0 | 0 | 0 | 107 | L128 S132 L133 | L128-V130 PolarHBondContact O-N 2.83Å; V130-S132 VanDerWaalsContact C-N 3.29Å; V130-S132 PolarHBondContact O-N 2.82Å; V130-L133 HydrophobicContact CG1-CD1 4.08Å | ||
| 131 | Q | 28 | Very low | 42.7 | Very low | 171 Ų | 171 | 100.1 Ų | 100.1 | 80% | 0.799 | 59% | 0.588 | S | S | * | * | trans | -71.7 | 97.8 | 162.8 | -83.7 | -172.1 | -9.6 | 0 | 0 | 106.6 | S129 | S129-Q131 PolarHBondContact O-N 2.94Š| ||
| 132 | S | 25.8 | Very low | 39.9 | Very low | 99 Ų | 99 | 103.5 Ų | 103.5 | 69% | 0.692 | 61% | 0.613 | S | S | * | * | trans | 27.6 | 95.4 | 162 | 66.7 | 0 | 0 | 0 | 0 | 114.9 | V130 T134 | V130-S132 VanDerWaalsContact C-N 3.29Å; V130-S132 PolarHBondContact O-N 2.82Å; S132-T134 PolarHBondContact O-N 2.84Å | ||
| 133 | L | 24.4 | Very low | 37.1 | Very low | 146 Ų | 146 | 109.2 Ų | 109.2 | 76% | 0.764 | 65% | 0.65 | S | S | * | * | trans | -56.3 | 112.4 | 156.7 | -89.1 | 93.1 | 0 | 0 | 0 | 108 | V130 P135 | V130-L133 HydrophobicContact CG1-CD1 4.08Å; L133-P135 WeakPolarHBondContact O-CD 3.42Å | ||
| 134 | T | 25.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | -68.1 | 120.4 | 150.3 | 47.7 | 0 | 0 | 0 | 0 | 107 | S132 A136 | S132-T134 PolarHBondContact O-N 2.84Å; T134-A136 PolarHBondContact O-N 2.91Å | ||
| 135 | P | 26.3 | Very low | 32.4 | Very low | 129 Ų | 129 | 115.2 Ų | 115.2 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -78.5 | 86.6 | -172.7 | 31 | -32.7 | 0 | 0 | 0 | 109.9 | L133 | L133-P135 WeakPolarHBondContact O-CD 3.42Š|
| 136 | A | 25.7 | Very low | 30.5 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -165.8 | 77.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T134 | T134-A136 PolarHBondContact O-N 2.91Š| ||
| 137 | T | 26.9 | Very low | 29.1 | Very low | 123 Ų | 123 | 117.9 Ų | 117.9 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | -146.3 | 101 | 162.1 | -25.5 | 0 | 0 | 0 | 0 | 110.4 | L139 | T137-L139 PolarHBondContact O-N 3.28Š| ||
| 138 | N | 25.8 | Very low | 27.9 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | trans | -56.8 | 114.8 | 176 | -115.5 | -47.4 | 0 | 0 | 0 | 110.9 | S140 | N138-S140 VanDerWaalsContact C-N 3.26Å; N138-S140 PolarHBondContact O-N 3.25Å; N138-S140 PolarHBondContact OD1-OG 3.44Å | ||
| 139 | L | 28.6 | Very low | 26.8 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -92.6 | 34.6 | 170.6 | -72.9 | 171.6 | 0 | 0 | 0 | 112 | T137 | T137-L139 PolarHBondContact O-N 3.28Š| ||
| 140 | S | 25.1 | Very low | 26.1 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | trans | -97.2 | 16.8 | 178.5 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | N138 P142 | N138-S140 VanDerWaalsContact C-N 3.26Å; N138-S140 PolarHBondContact O-N 3.25Å; N138-S140 PolarHBondContact OD1-OG 3.44Å; S140-P142 VanDerWaalsContact O-CD 3.28Å; S140-P142 WeakPolarHBondContact O-CD 3.36Å | ||
| 141 | I | 27.7 | Very low | 25.7 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | -101.8 | 105.3 | 175.1 | -55.7 | 176.1 | 0 | 0 | 0 | 109.5 | ||||
| 142 | P | 28.3 | Very low | 25.4 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 149.8 | 177.4 | 26.8 | -33 | 0 | 0 | 0 | 111.7 | S140 | S140-P142 VanDerWaalsContact O-CD 3.28Å; S140-P142 WeakPolarHBondContact O-CD 3.36Å |
| 143 | P | 27.8 | Very low | 25.2 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 134.7 | -174.1 | 24.8 | -32.7 | 0 | 0 | 0 | 112 | ||
| 144 | P | 27.6 | Very low | 25 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 136.6 | -179.2 | 27.7 | -32 | 0 | 0 | 0 | 111.7 | M146 | P144-M146 PolarHBondContact O-N 3.19Š|
| 145 | T | 26.8 | Very low | 24.8 | Very low | 144 Ų | 144 | 123.8 Ų | 123.8 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -55.5 | 101.4 | 173.5 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | G147 | T145-G147 PolarHBondContact O-N 3.4Š| ||
| 146 | M | 27.5 | Very low | 24.7 | Very low | 189 Ų | 189 | 123 Ų | 123 | 93% | 0.931 | 75% | 0.752 | S | S | * | * | trans | -86.2 | 99.6 | 175.9 | -81.2 | -149.4 | -75.7 | 0 | 0 | 111.4 | P144 | P144-M146 PolarHBondContact O-N 3.19Š| ||
| 147 | G | 24.8 | Very low | 24.6 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | trans | -102.7 | 122.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T145 | T145-G147 PolarHBondContact O-N 3.4Š| ||
| 148 | L | 22.6 | Very low | 24.4 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | 44.7 | 125.3 | 143.7 | -66.3 | 170.3 | 0 | 0 | 0 | 121.4 | ||||
| 149 | T | 22 | Very low | 24.3 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 92.4 | 109.6 | 134.7 | 55.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 150 | I | 21.7 | Very low | 23.9 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | 62.6 | 112.8 | 125.5 | -53.6 | 164.2 | 0 | 0 | 0 | 118.8 | |||||
| 151 | G | 20.7 | Very low | 24 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | 113.1 | 123.5 | 120.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 152 | A | 21.5 | Very low | 23.9 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 90.8 | 116.3 | 138.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 153 | V | 22 | Very low | 24.6 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | 92.1 | 108.3 | 121 | 170.8 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 154 | E | 20.9 | Very low | 24.4 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 75.4 | 131.5 | 129.8 | -71.6 | 176.4 | -172.2 | 0 | 0 | 123.9 | |||||
| 155 | T | 21.2 | Very low | 24.1 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | 72.1 | 132.2 | 139.9 | 60.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 156 | T | 23.3 | Very low | 24.1 | Very low | 112 Ų | 112 | 134 Ų | 134 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | -179.4 | 148.1 | 67.1 | 42.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 157 | T | 23.4 | Very low | 24.1 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 59.2 | 147.3 | 137.2 | 59.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 158 | S | 23.3 | Very low | 24 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | cis | 171.1 | 133.6 | 7 | 42.1 | 0 | 0 | 0 | 0 | 102.1 | ||||
| 159 | G | 22.7 | Very low | 23.9 | Very low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | 131.2 | 130.1 | 81.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 160 | F | 21.3 | Very low | 24 | Very low | 182 Ų | 182 | 136 Ų | 136 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | 65.6 | 105.9 | 139.2 | -63 | -83.3 | 0 | 0 | 0 | 121.5 | ||||
| 161 | Y | 26.8 | Very low | 24.1 | Very low | 223 Ų | 223 | 133.6 Ų | 133.6 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | 178.6 | 131.6 | 88 | -102.4 | -82.5 | 0 | 0 | 0 | 110.3 | |||||
| 162 | A | 26.6 | Very low | 24.1 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -138.4 | -168.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 163 | P | 41.5 | Very low | 24.1 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | -126.3 | -178.2 | -70.4 | 35.5 | -18.9 | 0 | 0 | 0 | 111.4 | |||||
| 164 | N | 23.3 | Very low | 24.1 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -147.6 | 99.9 | 169.9 | -107.9 | -17.9 | 0 | 0 | 0 | 113.1 | ||||
| 165 | K | 22.9 | Very low | 24.6 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | 170.2 | 96.5 | 137.9 | -98.8 | -177.6 | 178.1 | -179.1 | 0 | 111 | ||||
| 166 | I | 26.2 | Very low | 24.6 | Very low | 168 Ų | 168 | 144 Ų | 144 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | trans | 30.1 | 145.7 | 138.3 | -65.5 | 172.9 | 0 | 0 | 0 | 121.9 | ||||
| 167 | P | 26.5 | Very low | 24.5 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -118.4 | 169.6 | -152.8 | 40.3 | -23.5 | 0 | 0 | 0 | 114.6 | ||||
| 168 | E | 22.8 | Very low | 24.5 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -160.9 | 101.1 | 149.9 | -118.4 | 165.1 | -167.8 | 0 | 0 | 109.4 | ||||
| 169 | I | 21.3 | Very low | 24.4 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | 77.3 | 133.7 | 89 | -57.4 | 165.3 | 0 | 0 | 0 | 113 | |||||
| 170 | Q | 24.2 | Very low | 24.6 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 100.7 | 93.4 | 156.9 | -49.2 | -167.9 | 11.1 | 0 | 0 | 116.1 | ||||
| 171 | T | 23.5 | Very low | 24.4 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | 70.8 | 107.4 | 76.8 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 172 | E | 21.9 | Very low | 24.2 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | 64.2 | 125.7 | 126 | -68.1 | -166.7 | 129.3 | 0 | 0 | 122.8 | |||||
| 173 | Q | 21.7 | Very low | 23.9 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 73.1 | 108.5 | 131.7 | -66.3 | 178.2 | 21.1 | 0 | 0 | 120.3 | ||||
| 174 | K | 20.8 | Very low | 22.8 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | 43.2 | 158.8 | 113.2 | -129.8 | -163.7 | 179.6 | 176 | 0 | 119.5 | |||||
| 175 | P | 31.4 | Very low | 22.7 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | -114.8 | 168.2 | -82.8 | 39.1 | -25.1 | 0 | 0 | 0 | 111.1 | |||||
| 176 | D | 22 | Very low | 22.7 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -162.9 | 152.1 | 149.1 | -105.5 | -25.5 | 0 | 0 | 0 | 114.8 | ||||
| 177 | V | 19.9 | Very low | 22.5 | Very low | 128 Ų | 128 | 145 Ų | 145 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -82.5 | 140.1 | -169.4 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 178 | S | 24.7 | Very low | 22.3 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -149.7 | 106.8 | 165.7 | -49.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 179 | S | 21.2 | Very low | 22.7 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | 60 | 83.6 | 80.9 | -52.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 180 | N | 25.3 | Very low | 22.7 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | -160.2 | 119.1 | 145.2 | -99.8 | -18 | 0 | 0 | 0 | 113.6 | ||||
| 181 | W | 18.5 | Very low | 22.6 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -26.2 | 144.5 | 162.2 | -76.7 | 54.1 | 0 | 0 | 0 | 120.8 | ||||
| 182 | Q | 22 | Very low | 22.4 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | 50.6 | 120.2 | 125.9 | -60 | -172.7 | -16.8 | 0 | 0 | 122 | |||||
| 183 | Q | 21.5 | Very low | 22.4 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | 171.2 | 138.6 | 110.6 | -106 | 179.8 | -38.5 | 0 | 0 | 111.7 | |||||
| 184 | C | 17.7 | Very low | 22.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 57.6 | 110.4 | 169.2 | -86.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 185 | S | 20.2 | Very low | 22.5 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | 76.5 | 90.6 | 34 | 87.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 186 | V | 23 | Very low | 22 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | 23.9 | 119.7 | 126 | -174.1 | 0 | 0 | 0 | 0 | 118 | T188 | V186-T188 HydrophobicContact CG1-CG2 3.65Š| |||
| 187 | Q | 21.6 | Very low | 21.9 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | -134 | 139.2 | 142.7 | -90.3 | -175.7 | -11.8 | 0 | 0 | 110.2 | ||||
| 188 | T | 22.4 | Very low | 22 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -111.6 | -152 | -167.4 | 50 | 0 | 0 | 0 | 0 | 109.3 | V186 | V186-T188 HydrophobicContact CG1-CG2 3.65Š| ||
| 189 | P | 31.8 | Very low | 21.8 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | -117.9 | 168.1 | -122.7 | 32 | -8.9 | 0 | 0 | 0 | 113.8 | |||||
| 190 | S | 20.7 | Very low | 21.8 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | trans | 171.2 | 128 | 145.5 | 61.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 191 | D | 23.1 | Very low | 21.7 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | 127.8 | 145.5 | 118.8 | -75.7 | -39.9 | 0 | 0 | 0 | 106.4 | |||||
| 192 | S | 20.2 | Very low | 21.7 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | cis | 173.6 | 155.3 | -9.6 | 55.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 193 | Y | 20.2 | Very low | 21.6 | Very low | 204 Ų | 204 | 136.8 Ų | 136.8 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 64.9 | 127.7 | 161.9 | -63.8 | -80.9 | 0 | 0 | 0 | 118.1 | ||||
| 194 | M | 24.3 | Very low | 21.6 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 70% | 0.7 | 76% | 0.759 | S | S | * | * | cis | -155 | 141.3 | 43.5 | -86.3 | -67.5 | 165.5 | 0 | 0 | 108 | ||||
| 195 | K | 21.7 | Very low | 21.8 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | 46.5 | 132.4 | 90.4 | -88.1 | -172.5 | 174.8 | 175.7 | 0 | 112.4 | |||||
| 196 | S | 20.1 | Very low | 21.9 | Very low | 76 Ų | 76 | 137 Ų | 137 | 53% | 0.531 | 76% | 0.759 | S | S | . | * | cis | -177.1 | 149.4 | 19.3 | -93.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 197 | Q | 20.8 | Very low | 21.8 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | 58.4 | 111.1 | 137.5 | -63.2 | 167.1 | -21.7 | 0 | 0 | 119.1 | ||||
| 198 | T | 21.7 | Very low | 21.9 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 91% | 0.914 | 75% | 0.751 | S | S | * | * | -130.1 | 121.2 | 117.2 | 38.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 199 | L | 19.5 | Very low | 21.9 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | -72 | 144.8 | 171 | -101.9 | 142.7 | 0 | 0 | 0 | 109.8 | ||||
| 200 | N | 21.8 | Very low | 21.6 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -41.1 | 135 | 161.6 | -76.7 | -24.7 | 0 | 0 | 0 | 114.3 | ||||
| 201 | V | 22 | Very low | 21.6 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -157.5 | 122.6 | 144.4 | -173.7 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 202 | C | 19.9 | Very low | 21.5 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | -153.3 | 138.1 | 8.9 | -112.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 203 | S | 19.5 | Very low | 21.7 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -123.2 | 106.5 | 155.1 | 178.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 204 | L | 21 | Very low | 22 | Very low | 140 Ų | 140 | 134 Ų | 134 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -162 | 122.5 | 169.8 | -85.2 | 174.2 | 0 | 0 | 0 | 102.2 | ||||
| 205 | Q | 22.7 | Very low | 22.2 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | cis | -161.8 | 153.6 | 18.3 | -88.9 | 157.1 | -55.5 | 0 | 0 | 108.2 | ||||
| 206 | P | 21.5 | Very low | 22.1 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -106.3 | 106.8 | 141.7 | 25.2 | -9.7 | 0 | 0 | 0 | 109.2 | ||||
| 207 | E | 21.9 | Very low | 22.4 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | -134.8 | 105.9 | 159.5 | -84.5 | -162.9 | 172.5 | 0 | 0 | 105.4 | ||||
| 208 | S | 22.1 | Very low | 22.5 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 74 | 117.3 | 96 | 75.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 209 | G | 24 | Very low | 22.8 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | 138.5 | 86.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 210 | Q | 24.2 | Very low | 23 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | 55.8 | 124.4 | 87.2 | -65.1 | 179.9 | -12.6 | 0 | 0 | 109.9 | |||||
| 211 | S | 21.5 | Very low | 23.1 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | cis | 172.4 | 124.3 | 34.6 | 39.3 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 212 | S | 21.3 | Very low | 23.1 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 46.2 | 138.5 | 113 | 71.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 213 | V | 23.6 | Very low | 23.4 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | trans | 113.1 | 103.5 | 150.3 | -175 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 214 | L | 26.8 | Very low | 23.6 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -55.6 | 141.1 | 153.5 | -68.3 | 160.5 | 0 | 0 | 0 | 109.3 | ||||
| 215 | P | 27.8 | Very low | 23.8 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | -150.2 | 143.7 | 84.4 | 31.2 | -9.9 | 0 | 0 | 0 | 113.9 | |||||
| 216 | V | 20.4 | Very low | 23.8 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 40 | 95.3 | 104 | -169.7 | 0 | 0 | 0 | 0 | 113.5 | E218 | V216-E218 HydrophobicContact CG1-CG 4.25Š| |||
| 217 | T | 26.6 | Very low | 23.9 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -106.9 | 101.4 | 154 | 45.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 218 | E | 22.2 | Very low | 24 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -68.6 | 119.5 | 153.4 | -71.8 | 176.3 | 154.9 | 0 | 0 | 108.1 | V216 | V216-E218 HydrophobicContact CG1-CG 4.25Š| ||
| 219 | T | 27.8 | Very low | 24.2 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -164.2 | 128.7 | 163.7 | 44.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 220 | E | 24.9 | Very low | 24.2 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | -156.6 | 128.5 | 1.7 | -96.3 | 173.9 | 164.8 | 0 | 0 | 102.4 | ||||
| 221 | L | 23 | Very low | 24.1 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | 59.9 | 108.7 | 106.2 | -69.8 | 172.2 | 0 | 0 | 0 | 112.6 | |||||
| 222 | E | 23.4 | Very low | 24.3 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | 121.4 | 140.1 | 110.4 | -86 | 167.9 | -165.5 | 0 | 0 | 105.4 | |||||
| 223 | E | 25.3 | Very low | 24.4 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | cis | -171.2 | 148.2 | 24.1 | -123.1 | 179.7 | 157.7 | 0 | 0 | 108.1 | ||||
| 224 | K | 24.6 | Very low | 24.3 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 73% | 0.726 | 73% | 0.73 | S | S | * | * | trans | 50 | 113.1 | 140.6 | -70 | 166 | -176.4 | 157.2 | 0 | 119.5 | ||||
| 225 | A | 24.5 | Very low | 24.2 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | 81.5 | 133.2 | 76.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 226 | D | 22.8 | Very low | 24.2 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 89.6 | 103.1 | 152.7 | -60.8 | -19.9 | 0 | 0 | 0 | 121.6 | ||||
| 227 | Y | 23.5 | Very low | 24.5 | Very low | 205 Ų | 205 | 134.4 Ų | 134.4 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | 57.6 | 106.7 | 116.7 | -79.6 | -81.9 | 0 | 0 | 0 | 121 | |||||
| 228 | S | 24.3 | Very low | 24.4 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | 72.7 | 134.5 | 118.5 | 71.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 229 | K | 25.5 | Very low | 24.8 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | 74.5 | 145.1 | 153.3 | -75 | 178.7 | 178.3 | -179.3 | 0 | 116.1 | ||||
| 230 | S | 23.7 | Very low | 24.8 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | cis | 169.6 | 145.3 | -12.1 | 48.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 231 | L | 22.2 | Very low | 25.2 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 66.2 | 122.9 | 154.6 | -94.4 | 81.1 | 0 | 0 | 0 | 120.1 | ||||
| 232 | N | 25.4 | Very low | 25.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | 60.4 | 140.5 | 128.6 | -54.5 | -4.6 | 0 | 0 | 0 | 117 | |||||
| 233 | T | 24.3 | Very low | 25.9 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | 178.6 | 166.8 | 58.2 | -33 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 234 | E | 22.2 | Very low | 25.9 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 84.7 | 103.5 | 148.5 | -76.4 | 163.5 | -153.8 | 0 | 0 | 117.7 | ||||
| 235 | T | 23.7 | Very low | 26.2 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 84.4 | 115.8 | 76.7 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 236 | A | 28.3 | Very low | 26.5 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | 174.4 | 129.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 237 | G | 26.3 | Very low | 26.9 | Very low | 62 Ų | 62 | 143.2 Ų | 143.2 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | cis | 148.8 | 125.6 | 8.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 238 | I | 24.1 | Very low | 27 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 73.4 | 115.9 | 134.8 | -50.3 | 158.9 | 0 | 0 | 0 | 118.1 | ||||
| 239 | Y | 30.8 | Very low | 27.4 | Very low | 223 Ų | 223 | 145.7 Ų | 145.7 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | -168 | 115.2 | 107.4 | -95 | -73.5 | 0 | 0 | 0 | 110.6 | |||||
| 240 | E | 27.2 | Very low | 27.8 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -80 | 157.5 | 160.8 | -69.7 | 177.9 | 137.6 | 0 | 0 | 110.5 | ||||
| 241 | D | 34.2 | Very low | 28.2 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 159.9 | 103.6 | 143.8 | -84.9 | -22.1 | 0 | 0 | 0 | 108.6 | ||||
| 242 | G | 30.9 | Very low | 28.7 | Very low | 77 Ų | 77 | 150 Ų | 150 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | 116.7 | 147.6 | 93.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 243 | E | 30.1 | Very low | 28.8 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | cis | -164.3 | 161.9 | 10 | -113.3 | -178 | 163.9 | 0 | 0 | 108.1 | ||||
| 244 | I | 25.8 | Very low | 28.9 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -92.3 | 154.2 | -167.7 | -67.6 | 155.3 | 0 | 0 | 0 | 112.3 | D246 | I244-D246 WeakPolarHBondContact CG2-OD1 3.5Š| ||
| 245 | Q | 31.2 | Very low | 29.1 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -149.3 | 84.2 | 153.6 | -124.6 | 172.5 | 39.4 | 0 | 0 | 112.3 | ||||
| 246 | D | 29.2 | Very low | 29.5 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | 44.5 | 113 | 111.4 | -75.3 | 3.4 | 0 | 0 | 0 | 121.3 | I244 | I244-D246 WeakPolarHBondContact CG2-OD1 3.5Š| |||
| 247 | V | 31.2 | Very low | 29.4 | Very low | 124 Ų | 124 | 151 Ų | 151 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | 144.6 | 119 | 110.5 | 167.2 | 0 | 0 | 0 | 0 | 114.5 | Y249 | V247-Y249 HydrophobicContact CG1-CD2 4.48Š| |||
| 248 | D | 27.2 | Very low | 29.4 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -69.1 | 165.9 | 172.6 | -48.3 | -70.7 | 0 | 0 | 0 | 113.7 | ||||
| 249 | Y | 32.4 | Very low | 29.5 | Very low | 203 Ų | 203 | 155.9 Ų | 155.9 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -169.9 | 120.7 | 135 | -106 | -75.3 | 0 | 0 | 0 | 113 | V247 | V247-Y249 HydrophobicContact CG1-CD2 4.48Š| ||
| 250 | E | 33.5 | Very low | 29.3 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 87.2 | 99.4 | 141 | -90.3 | 170 | -140 | 0 | 0 | 123 | ||||
| 251 | E | 31.8 | Very low | 29.1 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -60.1 | 132.1 | 149.4 | -60.4 | 172.3 | 150.8 | 0 | 0 | 111.6 | ||||
| 252 | I | 32.4 | Very low | 29 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -111.7 | 107.7 | 156.9 | -61.8 | 173.7 | 0 | 0 | 0 | 107.4 | ||||
| 253 | S | 28 | Very low | 28.8 | Very low | 92 Ų | 92 | 155.4 Ų | 155.4 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -74.7 | 147.4 | 172 | 159 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 254 | S | 25.5 | Very low | 28.7 | Very low | 84 Ų | 84 | 153.8 Ų | 153.8 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | trans | 75.4 | 127.5 | 142.3 | 64.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 255 | N | 27.9 | Very low | 28.9 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | 137.6 | 105.3 | 129.9 | -68.3 | -26.9 | 0 | 0 | 0 | 110.9 | |||||
| 256 | E | 31.6 | Very low | 28.7 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | 100 | 140.4 | 81.1 | -88 | -168.4 | 176.3 | 0 | 0 | 111.4 | |||||
| 257 | E | 27 | Very low | 28.5 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -53.2 | 152.6 | -174.6 | -60.7 | 160.7 | 164.7 | 0 | 0 | 114.5 | ||||
| 258 | L | 26.4 | Very low | 28.5 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | 152.1 | 133.1 | 121.5 | -81.3 | 170.7 | 0 | 0 | 0 | 115.1 | |||||
| 259 | F | 24.2 | Very low | 28.3 | Very low | 179 Ų | 179 | 154.7 Ų | 154.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 67.7 | 112.9 | 157.9 | -56.9 | -63.6 | 0 | 0 | 0 | 120.6 | ||||
| 260 | S | 27.3 | Very low | 28.2 | Very low | 102 Ų | 102 | 152.5 Ų | 152.5 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | -175.1 | 106.8 | 111.6 | 26.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 261 | E | 22.6 | Very low | 27.8 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -59.4 | 126.9 | 150.2 | -70.5 | 168.9 | 155.6 | 0 | 0 | 107.5 | ||||
| 262 | I | 32.9 | Very low | 27.4 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -125.8 | 125 | 165.9 | -65 | 177.6 | 0 | 0 | 0 | 106.8 | ||||
| 263 | E | 27.1 | Very low | 27.1 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -58.3 | 142.8 | -173.5 | -64.5 | 162.1 | 141.1 | 0 | 0 | 114.6 | ||||
| 264 | D | 26.7 | Very low | 27 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | 10.4 | 118.2 | 144.4 | -56.5 | -34 | 0 | 0 | 0 | 119 | ||||
| 265 | G | 30.7 | Very low | 26.9 | Very low | 79 Ų | 79 | 151.1 Ų | 151.1 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -115.8 | 128.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 266 | E | 26.4 | Very low | 26.8 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -65.7 | 149.6 | -160.2 | -62 | 171.5 | 152 | 0 | 0 | 117.3 | ||||
| 267 | N | 26.1 | Very low | 26.7 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -25.5 | 130.6 | 160.9 | -60 | -32.3 | 0 | 0 | 0 | 117 | ||||
| 268 | L | 30.1 | Very low | 26.7 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -116.8 | 93.6 | 149.5 | -113 | 140.1 | 0 | 0 | 0 | 107.2 | I270 | L268-I270 PolarHBondContact O-N 3.22Š| ||
| 269 | E | 24.6 | Very low | 26.8 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -65.2 | 114.3 | 170.6 | -68.8 | 172.9 | 166.6 | 0 | 0 | 109.3 | ||||
| 270 | I | 28.8 | Very low | 26.9 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -120.9 | 96.2 | 155.1 | -58.9 | 175.5 | 0 | 0 | 0 | 105.1 | L268 | L268-I270 PolarHBondContact O-N 3.22Š| ||
| 271 | G | 25.1 | Very low | 27 | Very low | 59 Ų | 59 | 144.3 Ų | 144.3 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | -72.9 | 132.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 272 | D | 24.9 | Very low | 27.2 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | 165.8 | 130.6 | 119.6 | -87.8 | -14.9 | 0 | 0 | 0 | 111.4 | |||||
| 273 | Q | 25.6 | Very low | 26.9 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | 75.2 | 72.8 | 149.3 | -60.3 | 166.2 | 33.7 | 0 | 0 | 120 | ||||
| 274 | Q | 25.6 | Very low | 27 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -144.6 | 85.5 | 155.2 | -82.6 | 175 | -17.8 | 0 | 0 | 110.3 | ||||
| 275 | S | 23.9 | Very low | 27.1 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | trans | -112.1 | 20.5 | 176.1 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 276 | D | 26.3 | Very low | 26.9 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -115.4 | 28.5 | -177.3 | -65.8 | -7.6 | 0 | 0 | 0 | 113.3 | ||
| 277 | I | 28.5 | Very low | 26.9 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 56% | 0.559 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -118.5 | -9.2 | -178.8 | -57 | 177.8 | 0 | 0 | 0 | 113.1 | ||
| 278 | E | 27 | Very low | 26.9 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -80.8 | -20.8 | 177.5 | -70.7 | -172.6 | 163.1 | 0 | 0 | 113.8 | V280 | E278-V280 VanDerWaalsContact C-N 3.34Å; E278-V280 PolarHBondContact O-N 3.16Å |
| 279 | E | 27.8 | Very low | 26.6 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.1 | -19.7 | 177.7 | -81.8 | -170.9 | 161.1 | 0 | 0 | 114.2 | I283 | E279-I283 VanDerWaalsContact O-CD1 3.24Å; E279-I283 WeakPolarHBondContact O-CD1 3.33Å; E279-I283 VanDerWaalsContact O-CG1 3.26Å; E279-I283 WeakPolarHBondContact O-CG1 3.3Å |
| 280 | V | 27.9 | Very low | 26.5 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.5 | -31.8 | -179.2 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | E278 E284 | E278-V280 VanDerWaalsContact C-N 3.34Å; E278-V280 PolarHBondContact O-N 3.16Å; V280-E284 PolarHBondContact O-N 3.45Å |
| 281 | N | 27.6 | Very low | 26.2 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 55% | 0.551 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.5 | -27.3 | -175.3 | -69.2 | -19.5 | 0 | 0 | 0 | 113.4 | E284 S285 | N281-E284 PolarHBondContact O-N 3.13Å; N281-S285 PolarHBondContact O-N 3.46Å |
| 282 | E | 27.9 | Very low | 26.3 | Very low | 148 Ų | 148 | 121.2 Ų | 121.2 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.3 | -35.1 | 172.4 | -86.7 | -165 | 150.3 | 0 | 0 | 112.1 | E284 S285 Q286 | E282-E284 VanDerWaalsContact C-N 3.29Å; E282-E284 PolarHBondContact O-N 3.02Å; E282-S285 PolarHBondContact O-N 2.92Å; E282-S285 PolarHBondContact O-OG 2.61Å; E282-Q286 PolarHBondContact O-N 2.91Å |
| 283 | I | 27.3 | Very low | 26.9 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 51% | 0.508 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.3 | -40.5 | 173.6 | -64.3 | 169.9 | 0 | 0 | 0 | 110 | E279 S285 Q286 I287 | E279-I283 VanDerWaalsContact O-CD1 3.24Å; E279-I283 WeakPolarHBondContact O-CD1 3.33Å; E279-I283 VanDerWaalsContact O-CG1 3.26Å; E279-I283 WeakPolarHBondContact O-CG1 3.3Å; I283-S285 VanDerWaalsContact C-N 3.34Å; I283-S285 PolarHBondContact O-N 3.4Å; I283-Q286 PolarHBondContact O-N 3.45Å; I283-I287 HydrophobicContact CG2-CD1 3.84Å; I283-I287 HydrophobicContact CG2-CG1 4.45Å; I283-I287 WeakPolarHBondContact O-CD1 3.46Å; I283-I287 WeakPolarHBondContact O-CG1 3.43Å; I283-I287 PolarHBondContact O-N 3.34Å |
| 284 | E | 27.8 | Very low | 27.9 | Very low | 121 Ų | 121 | 118.2 Ų | 118.2 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.4 | -32.1 | -178.6 | -141.6 | 171.1 | -156.1 | 0 | 0 | 113.4 | V280 N281 E282 S288 | V280-E284 PolarHBondContact O-N 3.45Å; N281-E284 PolarHBondContact O-N 3.13Å; E282-E284 VanDerWaalsContact C-N 3.29Å; E282-E284 PolarHBondContact O-N 3.02Å; E284-S288 PolarHBondContact O-OG 3.11Å |
| 285 | S | 28.4 | Very low | 29.2 | Very low | 77 Ų | 77 | 110.6 Ų | 110.6 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71 | -31.4 | 178.3 | 79.4 | 0 | 0 | 0 | 0 | 113.5 | N281 E282 I283 | N281-S285 PolarHBondContact O-N 3.46Å; E282-S285 PolarHBondContact O-N 2.92Å; E282-S285 PolarHBondContact O-OG 2.61Å; I283-S285 VanDerWaalsContact C-N 3.34Å; I283-S285 PolarHBondContact O-N 3.4Å |
| 286 | Q | 27.2 | Very low | 30.6 | Very low | 132 Ų | 132 | 105.5 Ų | 105.5 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -85.5 | -26.8 | -177.9 | -63.5 | -153.6 | 6.8 | 0 | 0 | 113.6 | E282 I283 S288 S289 | E282-Q286 PolarHBondContact O-N 2.91Å; I283-Q286 PolarHBondContact O-N 3.45Å; Q286-S288 PolarHBondContact O-N 3.4Å; Q286-S289 PolarHBondContact O-N 3.45Å; Q286-S289 PolarHBondContact O-OG 3.39Å |
| 287 | I | 26.5 | Very low | 32 | Very low | 62 Ų | 62 | 101.8 Ų | 101.8 | 32% | 0.318 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.8 | -31.8 | 174.1 | -67.7 | 170.9 | 0 | 0 | 0 | 111.5 | I283 S289 F923 | I283-I287 HydrophobicContact CG2-CD1 3.84Å; I283-I287 HydrophobicContact CG2-CG1 4.45Å; I283-I287 WeakPolarHBondContact O-CD1 3.46Å; I283-I287 WeakPolarHBondContact O-CG1 3.43Å; I283-I287 PolarHBondContact O-N 3.34Å; I287-S289 PolarHBondContact O-N 3.49Å; I287-S289 VanDerWaalsContact O-N 3.14Å; I287-F923 HydrophobicContact CD1-CE1 4.11Å; I287-F923 HydrophobicContact CD1-CZ 3.74Å; I287-F923 HydrophobicContact CG1-CE1 4.21Å; I287-F923 HydrophobicContact CG1-CE2 4.32Å; I287-F923 HydrophobicContact CG1-CZ 3.56Å; I287-F923 HydrophobicContact CG2-CZ 4.47Å |
| 288 | S | 25.8 | Very low | 33.1 | Very low | 104 Ų | 104 | 98.9 Ų | 98.9 | 73% | 0.727 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.3 | -177.7 | -56.8 | 0 | 0 | 0 | 0 | 114.8 | E284 Q286 | E284-S288 PolarHBondContact O-OG 3.11Å; Q286-S288 PolarHBondContact O-N 3.4Å |
| 289 | S | 23.5 | Very low | 34.2 | Very low | 91 Ų | 91 | 91.1 Ų | 91.1 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -8.2 | -165.8 | 69.8 | 0 | 0 | 0 | 0 | 115.6 | Q286 I287 | Q286-S289 PolarHBondContact O-N 3.45Å; Q286-S289 PolarHBondContact O-OG 3.39Å; I287-S289 PolarHBondContact O-N 3.49Å; I287-S289 VanDerWaalsContact O-N 3.14Å |
| 290 | C | 22.8 | Very low | 35.3 | Very low | 74 Ų | 74 | 85.7 Ų | 85.7 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | trans | -119.1 | 99 | -173 | -73.6 | 0 | 0 | 0 | 0 | 112.8 | W292 | C290-W292 PolarHBondContact O-N 2.77Š| ||
| 291 | Q | 23.6 | Very low | 36.4 | Very low | 140 Ų | 140 | 86.3 Ų | 86.3 | 65% | 0.654 | 44% | 0.437 | S | S | * | . | trans | -72.6 | 72.7 | -179.2 | -70 | -176.1 | -19.5 | 0 | 0 | 113.9 | ||||
| 292 | W | 27.4 | Very low | 37.4 | Very low | 134 Ų | 134 | 85.5 Ų | 85.5 | 51% | 0.508 | 43% | 0.43 | S | S | . | . | trans | -143.2 | 110.1 | 163.1 | -67 | 91.6 | 0 | 0 | 0 | 111.6 | C290 F294 | C290-W292 PolarHBondContact O-N 2.77Å; W292-F294 PolarHBondContact O-N 3.45Å | ||
| 293 | R | 35.6 | Very low | 38.3 | Very low | 239 Ų | 239 | 79 Ų | 79 | 90% | 0.902 | 40% | 0.399 | S | S | * | . | trans | -84.8 | 25.9 | -147.3 | -133.9 | 177.7 | 179.6 | 171.3 | -1.9 | 119.6 | R911 | R293-R911 VanDerWaalsContact N-NH2 3.18Š| ||
| 294 | F | 48 | Very low | 39 | Very low | 16 Ų | 16 | 78.3 Ų | 78.3 | 7% | 0.07 | 40% | 0.4 | C | S | . | . | trans | -144.8 | 93.3 | -179.3 | -176.2 | -100.7 | 0 | 0 | 0 | 109.6 | W292 L299 I854 Y855 E858 R911 L912 | W292-F294 PolarHBondContact O-N 3.45Å; F294-L299 HydrophobicContact CD2-CD1 3.82Å; F294-L299 HydrophobicContact CE2-CD1 3.44Å; F294-L299 VanDerWaalsContact CE2-CD1 3.44Å; F294-L299 HydrophobicContact CZ-CD1 4.42Å; F294-I854 HydrophobicContact CZ-CG2 4.36Å; F294-Y855 HydrophobicContact CE1-CD1 4.22Å; F294-Y855 AromaticContact CE1-CE1 3.63Å; F294-Y855 HydrophobicContact CE1-CE1 3.63Å; F294-Y855 HydrophobicContact CE1-CE2 4.02Å; F294-Y855 AromaticContact CE1-CZ 3.53Å; F294-Y855 HydrophobicContact CZ-CD1 4.27Å; F294-Y855 HydrophobicContact CZ-CD2 4.36Å; F294-Y855 HydrophobicContact CZ-CE1 4.13Å; F294-Y855 HydrophobicContact CZ-CE2 4.23Å; F294-Y855 HydrophobicContact CZ-CG 4.4Å; F294-E858 HydrophobicContact CD2-CG 3.96Å; F294-E858 HydrophobicContact CE2-CB 3.92Å; F294-E858 HydrophobicContact CE2-CG 3.59Å; F294-E858 HydrophobicContact CZ-CG 4.49Å; F294-R911 VanDerWaalsContact CB-CZ 3.4Å; F294-L912 HydrophobicContact CD1-CD2 3.82Å; F294-L912 HydrophobicContact CD2-CD2 4.1Å; F294-L912 HydrophobicContact CE1-CD2 3.51Å; F294-L912 HydrophobicContact CE2-CD2 3.82Å; F294-L912 HydrophobicContact CG-CD2 4.12Å; F294-L912 HydrophobicContact CZ-CD2 3.5Å | ||
| 295 | N | 52.3 | Low | 39.6 | Very low | 18 Ų | 18 | 78 Ų | 78 | 10% | 0.096 | 41% | 0.406 | C | S | . | . | trans | -113.2 | 119.2 | 165.4 | 178.6 | 4.4 | 0 | 0 | 0 | 105.9 | F297 D298 L299 F923 | N295-F297 PolarHBondContact O-N 3.48Å; N295-F297 VanDerWaalsContact O-N 3.13Å; N295-F297 WeakPolarHBondContact OD1-CD2 3.44Å; N295-F297 PolarHBondContact OD1-N 2.96Å; N295-F297 VanDerWaalsContact OD1-N 3.09Å; N295-D298 HydrophobicContact CB-CB 4Å; N295-D298 VanDerWaalsContact CB-OD2 3.3Å; N295-D298 WeakPolarHBondContact CB-OD2 3.29Å; N295-D298 VanDerWaalsContact ND2-CG 3.27Å; N295-D298 PolarHBondContact ND2-OD1 3.36Å; N295-D298 PolarHBondContact ND2-OD2 3.22Å; N295-D298 PolarHBondContact O-N 3.16Å; N295-L299 PolarHBondContact O-N 2.85Å; N295-F923 WeakPolarHBondContact ND2-CE2 3.34Å | ||
| 296 | P | 53.5 | Low | 40 | Very low | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.013 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.8 | -25.7 | 178.3 | 24.7 | -33.6 | 0 | 0 | 0 | 111.9 | L851 I854 | P296-L851 HydrophobicContact CB-CD2 4.15Å; P296-L851 HydrophobicContact CG-CD2 4.18Å; P296-I854 HydrophobicContact CB-CD1 4.17Å; P296-I854 HydrophobicContact CB-CG2 3.88Å |
| 297 | F | 54.6 | Low | 40.5 | Very low | 67 Ų | 67 | 74.1 Ų | 74.1 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -79.7 | -34.9 | 179.4 | -60.9 | -78.1 | 0 | 0 | 0 | 113.6 | N295 L299 I300 L824 L851 L920 | N295-F297 PolarHBondContact O-N 3.48Å; N295-F297 VanDerWaalsContact O-N 3.13Å; N295-F297 WeakPolarHBondContact OD1-CD2 3.44Å; N295-F297 PolarHBondContact OD1-N 2.96Å; N295-F297 VanDerWaalsContact OD1-N 3.09Å; F297-L299 PolarHBondContact O-N 3.13Å; F297-I300 HydrophobicContact CB-CD1 4.28Å; F297-I300 HydrophobicContact CD1-CD1 3.73Å; F297-I300 HydrophobicContact CG-CD1 4.43Å; F297-I300 VanDerWaalsContact O-CB 3.3Å; F297-I300 WeakPolarHBondContact O-CB 3.3Å; F297-I300 PolarHBondContact O-N 2.96Å; F297-L824 HydrophobicContact CE1-CD1 4.41Å; F297-L851 HydrophobicContact CZ-CD2 4.45Å; F297-L920 HydrophobicContact CD2-CD2 3.95Å; F297-L920 HydrophobicContact CE2-CD1 4.46Å; F297-L920 HydrophobicContact CE2-CD2 3.65Å |
| 298 | D | 52.5 | Low | 41.1 | Very low | 49 Ų | 49 | 76.3 Ų | 76.3 | 26% | 0.262 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 174.5 | -67.4 | -11.6 | 0 | 0 | 0 | 111.2 | N295 I300 N301 Q302 | N295-D298 HydrophobicContact CB-CB 4Å; N295-D298 VanDerWaalsContact CB-OD2 3.3Å; N295-D298 WeakPolarHBondContact CB-OD2 3.29Å; N295-D298 VanDerWaalsContact ND2-CG 3.27Å; N295-D298 PolarHBondContact ND2-OD1 3.36Å; N295-D298 PolarHBondContact ND2-OD2 3.22Å; N295-D298 PolarHBondContact O-N 3.16Å; D298-I300 VanDerWaalsContact C-N 3.25Å; D298-I300 PolarHBondContact O-N 3.1Å; D298-N301 PolarHBondContact O-N 3.12Å; D298-Q302 PolarHBondContact O-N 3.28Å; D298-Q302 VanDerWaalsContact O-N 3.12Å |
| 299 | L | 50.5 | Low | 42.2 | Very low | 11 Ų | 11 | 74 Ų | 74 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63 | -31.7 | 178.1 | -87.9 | 164.2 | 0 | 0 | 0 | 112.2 | F294 N295 F297 N301 Q302 Y303 F307 I854 | F294-L299 HydrophobicContact CD2-CD1 3.82Å; F294-L299 HydrophobicContact CE2-CD1 3.44Å; F294-L299 VanDerWaalsContact CE2-CD1 3.44Å; F294-L299 HydrophobicContact CZ-CD1 4.42Å; N295-L299 PolarHBondContact O-N 2.85Å; F297-L299 PolarHBondContact O-N 3.13Å; L299-N301 PolarHBondContact O-N 3.29Å; L299-Q302 CarbonylContact O-C 3.47Å; L299-Q302 PolarHBondContact O-N 3.38Å; L299-Q302 VanDerWaalsContact O-N 3.15Å; L299-Y303 HydrophobicContact CB-CD2 4.01Å; L299-Y303 HydrophobicContact CB-CE2 3.66Å; L299-Y303 HydrophobicContact CD2-CD2 4.49Å; L299-Y303 HydrophobicContact CD2-CE2 3.93Å; L299-Y303 HydrophobicContact CG-CE2 4.27Å; L299-Y303 WeakPolarHBondContact O-CB 3.41Å; L299-Y303 WeakPolarHBondContact O-CD2 3.14Å; L299-Y303 PolarHBondContact O-N 2.71Å; L299-F307 HydrophobicContact CD2-CD2 4.2Å; L299-F307 HydrophobicContact CD2-CE1 4.49Å; L299-F307 HydrophobicContact CD2-CE2 3.25Å; L299-F307 HydrophobicContact CD2-CZ 3.43Å; L299-F307 VanDerWaalsContact CD2-CZ 3.43Å; L299-I854 HydrophobicContact CD1-CG2 4.06Å |
| 300 | I | 50.9 | Low | 43.6 | Very low | 21 Ų | 21 | 76.7 Ų | 76.7 | 11% | 0.108 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 178.5 | -62.7 | 165.9 | 0 | 0 | 0 | 111.5 | F297 D298 S817 I820 K821 L824 | F297-I300 HydrophobicContact CB-CD1 4.28Å; F297-I300 HydrophobicContact CD1-CD1 3.73Å; F297-I300 HydrophobicContact CG-CD1 4.43Å; F297-I300 VanDerWaalsContact O-CB 3.3Å; F297-I300 WeakPolarHBondContact O-CB 3.3Å; F297-I300 PolarHBondContact O-N 2.96Å; D298-I300 VanDerWaalsContact C-N 3.25Å; D298-I300 PolarHBondContact O-N 3.1Å; I300-S817 PolarHBondContact O-OG 2.71Å; I300-I820 HydrophobicContact CG1-CG2 4.31Å; I300-K821 HydrophobicContact CG2-CD 3.89Å; I300-K821 HydrophobicContact CG2-CG 3.24Å; I300-K821 WeakPolarHBondContact O-CE 3.5Å; I300-K821 PolarHBondContact O-NZ 3.11Å; I300-L824 HydrophobicContact CD1-CD1 3.2Å; I300-L824 HydrophobicContact CG1-CD1 3.95Å |
| 301 | N | 51 | Low | 45.5 | Very low | 104 Ų | 104 | 74 Ų | 74 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -83.2 | -32.9 | 177.5 | -69.4 | -14.2 | 0 | 0 | 0 | 111.8 | D298 L299 T304 | D298-N301 PolarHBondContact O-N 3.12Å; L299-N301 PolarHBondContact O-N 3.29Å; N301-T304 PolarHBondContact O-N 3.3Å; N301-T304 PolarHBondContact O-OG1 3.29Å |
| 302 | Q | 48 | Very low | 47.1 | Very low | 86 Ų | 86 | 71.2 Ų | 71.2 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.8 | -27.8 | 175.5 | -70.9 | 178.6 | 13.8 | 0 | 0 | 113.2 | D298 L299 T304 T305 V306 F307 | D298-Q302 PolarHBondContact O-N 3.28Å; D298-Q302 VanDerWaalsContact O-N 3.12Å; L299-Q302 CarbonylContact O-C 3.47Å; L299-Q302 PolarHBondContact O-N 3.38Å; L299-Q302 VanDerWaalsContact O-N 3.15Å; Q302-T304 PolarHBondContact O-N 2.91Å; Q302-T304 VanDerWaalsContact O-N 3.16Å; Q302-T305 PolarHBondContact O-N 3.47Å; Q302-T305 VanDerWaalsContact O-N 3.09Å; Q302-V306 HydrophobicContact CB-CB 4.25Å; Q302-V306 PolarHBondContact O-N 3.35Å; Q302-F307 HydrophobicContact CB-CD2 4.23Å; Q302-F307 HydrophobicContact CB-CE2 3.98Å |
| 303 | Y | 46.2 | Very low | 48.8 | Very low | 13 Ų | 13 | 66.7 Ų | 66.7 | 5% | 0.051 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.5 | 176.5 | -79.2 | -63.1 | 0 | 0 | 0 | 113 | L299 F307 S817 I857 | L299-Y303 HydrophobicContact CB-CD2 4.01Å; L299-Y303 HydrophobicContact CB-CE2 3.66Å; L299-Y303 HydrophobicContact CD2-CD2 4.49Å; L299-Y303 HydrophobicContact CD2-CE2 3.93Å; L299-Y303 HydrophobicContact CG-CE2 4.27Å; L299-Y303 WeakPolarHBondContact O-CB 3.41Å; L299-Y303 WeakPolarHBondContact O-CD2 3.14Å; L299-Y303 PolarHBondContact O-N 2.71Å; Y303-F307 HydrophobicContact CD1-CB 3.72Å; Y303-F307 AromaticContact CD1-CD2 3.75Å; Y303-F307 HydrophobicContact CD1-CD2 3.75Å; Y303-F307 AromaticContact CD1-CG 3.74Å; Y303-F307 HydrophobicContact CD1-CG 3.74Å; Y303-F307 HydrophobicContact CE1-CB 4.11Å; Y303-F307 HydrophobicContact CE1-CD1 4.17Å; Y303-F307 AromaticContact CE1-CD2 3.95Å; Y303-F307 HydrophobicContact CE1-CD2 3.95Å; Y303-F307 HydrophobicContact CE1-CE2 4.49Å; Y303-F307 AromaticContact CE1-CG 3.79Å; Y303-F307 HydrophobicContact CE1-CG 3.79Å; Y303-F307 HydrophobicContact CG-CD2 4.3Å; Y303-S817 WeakPolarHBondContact CB-OG 3.42Å; Y303-I857 HydrophobicContact CE1-CG2 4.25Å; Y303-I857 WeakPolarHBondContact OH-CG2 3.49Å |
| 304 | T | 43.4 | Very low | 50.4 | Low | 84 Ų | 84 | 55.8 Ų | 55.8 | 52% | 0.515 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -19.6 | 171.5 | 32.9 | 0 | 0 | 0 | 0 | 114.6 | N301 Q302 | N301-T304 PolarHBondContact O-N 3.3Å; N301-T304 PolarHBondContact O-OG1 3.29Å; Q302-T304 PolarHBondContact O-N 2.91Å; Q302-T304 VanDerWaalsContact O-N 3.16Å |
| 305 | T | 39.6 | Very low | 51.3 | Low | 115 Ų | 115 | 56.3 Ų | 56.3 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.3 | -21.3 | -172.1 | 53.2 | 0 | 0 | 0 | 0 | 116 | Q302 | Q302-T305 PolarHBondContact O-N 3.47Å; Q302-T305 VanDerWaalsContact O-N 3.09Å |
| 306 | V | 36.6 | Very low | 52.2 | Low | 95 Ų | 95 | 56.2 Ų | 56.2 | 58% | 0.576 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -12.6 | -169.1 | -176.7 | 0 | 0 | 0 | 0 | 113.4 | Q302 S308 | Q302-V306 HydrophobicContact CB-CB 4.25Å; Q302-V306 PolarHBondContact O-N 3.35Å; V306-S308 PolarHBondContact O-N 3.19Å |
| 307 | F | 38.2 | Very low | 52.9 | Low | 32 Ų | 32 | 57.1 Ų | 57.1 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | trans | -101.8 | 59.5 | 177.5 | -73.8 | -86.9 | 0 | 0 | 0 | 113 | L299 Q302 Y303 C309 P813 | L299-F307 HydrophobicContact CD2-CD2 4.2Å; L299-F307 HydrophobicContact CD2-CE1 4.49Å; L299-F307 HydrophobicContact CD2-CE2 3.25Å; L299-F307 HydrophobicContact CD2-CZ 3.43Å; L299-F307 VanDerWaalsContact CD2-CZ 3.43Å; Q302-F307 HydrophobicContact CB-CD2 4.23Å; Q302-F307 HydrophobicContact CB-CE2 3.98Å; Y303-F307 HydrophobicContact CD1-CB 3.72Å; Y303-F307 AromaticContact CD1-CD2 3.75Å; Y303-F307 HydrophobicContact CD1-CD2 3.75Å; Y303-F307 AromaticContact CD1-CG 3.74Å; Y303-F307 HydrophobicContact CD1-CG 3.74Å; Y303-F307 HydrophobicContact CE1-CB 4.11Å; Y303-F307 HydrophobicContact CE1-CD1 4.17Å; Y303-F307 AromaticContact CE1-CD2 3.95Å; Y303-F307 HydrophobicContact CE1-CD2 3.95Å; Y303-F307 HydrophobicContact CE1-CE2 4.49Å; Y303-F307 AromaticContact CE1-CG 3.79Å; Y303-F307 HydrophobicContact CE1-CG 3.79Å; Y303-F307 HydrophobicContact CG-CD2 4.3Å; F307-C309 HydrophobicContact CD1-CB 3.96Å; F307-C309 WeakPolarHBondContact CD1-SG 3.21Å; F307-C309 PolarHBondContact O-N 3.26Å; F307-C309 VanDerWaalsContact O-N 3.09Å; F307-P813 WeakPolarHBondContact O-CG 3.5Å | ||
| 308 | S | 40.1 | Very low | 53.8 | Low | 108 Ų | 108 | 55 Ų | 55 | 76% | 0.755 | 31% | 0.306 | S | S | * | . | trans | -74.3 | 53.6 | 141.7 | -49.7 | 0 | 0 | 0 | 0 | 108.5 | V306 E310 | V306-S308 PolarHBondContact O-N 3.19Å; S308-E310 VanDerWaalsContact C-N 3.27Å; S308-E310 PolarHBondContact O-N 3.49Å | ||
| 309 | C | 48.2 | Very low | 54.8 | Low | 56 Ų | 56 | 54.8 Ų | 54.8 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | trans | -71.1 | 93.4 | 174.5 | -101.3 | 0 | 0 | 0 | 0 | 107 | F307 F311 | F307-C309 HydrophobicContact CD1-CB 3.96Å; F307-C309 WeakPolarHBondContact CD1-SG 3.21Å; F307-C309 PolarHBondContact O-N 3.26Å; F307-C309 VanDerWaalsContact O-N 3.09Å; C309-F311 PolarHBondContact O-N 2.88Å | ||
| 310 | E | 53 | Low | 55.8 | Low | 147 Ų | 147 | 54.6 Ų | 54.6 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | trans | -61.3 | 108.9 | 166.7 | -68.2 | -180 | 173.3 | 0 | 0 | 106.8 | S308 H312 | S308-E310 VanDerWaalsContact C-N 3.27Å; S308-E310 PolarHBondContact O-N 3.49Å; E310-H312 PolarHBondContact O-CE1 3.27Å; E310-H312 VanDerWaalsContact O-CE1 3.32Å; E310-H312 PolarHBondContact O-N 2.66Å; E310-H312 PolarHBondContact O-ND1 3.48Å | ||
| 311 | F | 61.6 | Low | 56.8 | Low | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | trans | -66.8 | 120.8 | 166.4 | -70.7 | -82.1 | 0 | 0 | 0 | 107.1 | C309 I314 A810 F811 D864 | C309-F311 PolarHBondContact O-N 2.88Å; F311-I314 HydrophobicContact CB-CB 4.41Å; F311-I314 HydrophobicContact CD1-CB 4.45Å; F311-I314 HydrophobicContact CD1-CD1 4.37Å; F311-A810 HydrophobicContact CE2-CB 4.03Å; F311-A810 HydrophobicContact CZ-CB 3.86Å; F311-F811 HydrophobicContact CB-CE1 3.6Å; F311-F811 HydrophobicContact CB-CZ 3.5Å; F311-F811 VanDerWaalsContact CB-CZ 3.5Å; F311-F811 AromaticContact CD2-CD1 3.76Å; F311-F811 HydrophobicContact CD2-CD1 3.76Å; F311-F811 HydrophobicContact CD2-CD2 4.33Å; F311-F811 AromaticContact CD2-CE1 3.42Å; F311-F811 HydrophobicContact CD2-CE1 3.42Å; F311-F811 VanDerWaalsContact CD2-CE1 3.42Å; F311-F811 HydrophobicContact CD2-CE2 4Å; F311-F811 HydrophobicContact CD2-CG 4.2Å; F311-F811 AromaticContact CD2-CZ 3.51Å; F311-F811 HydrophobicContact CD2-CZ 3.51Å; F311-F811 HydrophobicContact CE2-CD1 4.46Å; F311-F811 HydrophobicContact CE2-CE1 4.44Å; F311-F811 HydrophobicContact CE2-CE2 4.5Å; F311-F811 HydrophobicContact CE2-CZ 4.41Å; F311-F811 AromaticContact CG-CE1 3.84Å; F311-F811 HydrophobicContact CG-CE1 3.84Å; F311-F811 HydrophobicContact CG-CE2 4.3Å; F311-F811 AromaticContact CG-CZ 3.62Å; F311-F811 HydrophobicContact CG-CZ 3.62Å; F311-D864 WeakPolarHBondContact CA-OD2 3.33Å; F311-D864 HydrophobicContact CD1-CB 3.89Å; F311-D864 HydrophobicContact CE1-CB 4.44Å | ||
| 312 | H | 58.8 | Low | 58 | Low | 81 Ų | 81 | 52.6 Ų | 52.6 | 38% | 0.375 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -82.8 | -23.6 | -172.6 | -72.8 | 38.6 | 0 | 0 | 0 | 111.5 | E310 W327 D864 D868 | E310-H312 PolarHBondContact O-CE1 3.27Å; E310-H312 VanDerWaalsContact O-CE1 3.32Å; E310-H312 PolarHBondContact O-N 2.66Å; E310-H312 PolarHBondContact O-ND1 3.48Å; H312-W327 VanDerWaalsContact C-CZ2 3.47Å; H312-W327 WeakPolarHBondContact O-CH2 3.41Å; H312-W327 WeakPolarHBondContact O-CZ2 3.39Å; H312-D864 PolarHBondContact N-OD2 3.29Å; H312-D868 HydrophobicContact CB-CB 4.44Å; H312-D868 IonicContact CD2-OD2 2.68Å |
| 313 | R | 62.2 | Low | 59.2 | Low | 40 Ų | 40 | 52.2 Ų | 52.2 | 15% | 0.151 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -140.4 | -24.2 | -171.1 | -68.2 | -144.5 | -174.5 | -159 | 48.3 | 116.7 | W327 D864 I867 D868 | R313-W327 VanDerWaalsContact CA-CH2 3.49Å; R313-D864 PolarHBondContact N-OD1 3.21Å; R313-D864 VanDerWaalsContact N-OD1 3.12Å; R313-I867 HydrophobicContact CB-CG2 3.78Å; R313-D868 HydrophobicContact CG-CB 4.04Å; R313-D868 IonicContact CZ-OD1 3.03Å; R313-D868 IonicContact NE-OD1 2.99Å; R313-D868 PolarHBondContact NE-OD1 3.37Å; R313-D868 PolarHBondContact NH2-O 2.94Å; R313-D868 IonicContact NH2-OD1 2.8Å; R313-D868 PolarHBondContact NH2-OD1 2.91Å |
| 314 | I | 68.3 | Low | 60.4 | Low | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -73.1 | 128.7 | 164.6 | -58.8 | 175.7 | 0 | 0 | 0 | 106.7 | F311 L807 F811 L860 D864 I867 Y970 | F311-I314 HydrophobicContact CB-CB 4.41Å; F311-I314 HydrophobicContact CD1-CB 4.45Å; F311-I314 HydrophobicContact CD1-CD1 4.37Å; I314-L807 HydrophobicContact CG2-CD1 3.46Å; I314-L807 VanDerWaalsContact CG2-CD1 3.46Å; I314-L807 HydrophobicContact CG2-CD2 3.48Å; I314-L807 VanDerWaalsContact CG2-CD2 3.48Å; I314-L807 HydrophobicContact CG2-CG 4.08Å; I314-F811 HydrophobicContact CB-CZ 4.37Å; I314-F811 HydrophobicContact CG2-CE2 3.96Å; I314-F811 HydrophobicContact CG2-CZ 4.15Å; I314-F811 VanDerWaalsContact O-CZ 3.24Å; I314-F811 WeakPolarHBondContact O-CZ 3.42Å; I314-L860 HydrophobicContact CD1-CD2 4.34Å; I314-D864 HydrophobicContact CD1-CB 4Å; I314-D864 HydrophobicContact CG1-CB 4.37Å; I314-D864 WeakPolarHBondContact CG1-OD1 3.38Å; I314-D864 PolarHBondContact N-OD1 2.83Å; I314-I867 HydrophobicContact CD1-CD1 4.36Å; I314-I867 HydrophobicContact CG1-CD1 4.09Å; I314-Y970 HydrophobicContact CD1-CD1 4.3Å; I314-Y970 HydrophobicContact CD1-CE1 4.33Å; I314-Y970 HydrophobicContact CG1-CD1 4.48Å; I314-Y970 HydrophobicContact CG1-CE1 4.5Å; I314-Y970 HydrophobicContact CG2-CE1 4.26Å |
| 315 | A | 66.8 | Low | 61.8 | Low | 28 Ų | 28 | 52.2 Ų | 52.2 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -86 | 141 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L319 L324 W327 | A315-L319 HydrophobicContact CB-CD1 4.39Å; A315-L324 HydrophobicContact CB-CD1 3.8Å; A315-W327 HydrophobicContact CB-CZ3 4.41Å |
| 316 | D | 71.7 | Confident | 63.4 | Low | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.08 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 123.5 | 167.6 | 177.5 | -16.2 | 0 | 0 | 0 | 107.9 | T318 L319 F811 R812 | D316-T318 PolarHBondContact O-N 2.91Å; D316-T318 WeakPolarHBondContact OD1-CB 3.39Å; D316-T318 WeakPolarHBondContact OD1-CG2 3.44Å; D316-T318 PolarHBondContact OD1-N 3.06Å; D316-T318 PolarHBondContact OD1-OG1 3.33Å; D316-T318 PolarHBondContact OD2-OG1 3.19Å; D316-T318 VanDerWaalsContact OD2-OG1 3.09Å; D316-L319 HydrophobicContact CB-CD1 4Å; D316-L319 HydrophobicContact CB-CG 3.91Å; D316-L319 WeakPolarHBondContact O-CB 3.35Å; D316-L319 WeakPolarHBondContact O-CG 3.49Å; D316-L319 PolarHBondContact O-N 3.32Å; D316-F811 HydrophobicContact CB-CB 4.34Å; D316-F811 HydrophobicContact CB-CD1 3.65Å; D316-F811 HydrophobicContact CB-CD2 4.04Å; D316-F811 HydrophobicContact CB-CE1 3.88Å; D316-F811 HydrophobicContact CB-CE2 4.31Å; D316-F811 HydrophobicContact CB-CG 3.74Å; D316-F811 HydrophobicContact CB-CZ 4.24Å; D316-R812 IonicContact OD2-CZ 3.79Å; D316-R812 IonicContact OD2-NH1 2.81Å; D316-R812 PolarHBondContact OD2-NH1 3.33Å; D316-R812 IonicContact OD2-NH2 2.82Å; D316-R812 PolarHBondContact OD2-NH2 3Å |
| 317 | P | 68.7 | Low | 65 | Low | 21 Ų | 21 | 46.3 Ų | 46.3 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.1 | -177.6 | 26.3 | -36.4 | 0 | 0 | 0 | 113.3 | A738 L807 F808 | P317-A738 WeakPolarHBondContact O-CA 3.39Å; P317-A738 WeakPolarHBondContact O-CB 3.5Å; P317-L807 HydrophobicContact CG-CB 4.06Å; P317-F808 HydrophobicContact CG-CB 4.2Å |
| 318 | T | 73.4 | Confident | 66.4 | Low | 24 Ų | 24 | 47.9 Ų | 47.9 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -11.9 | 177.4 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | D316 T320 C741 F808 | D316-T318 PolarHBondContact O-N 2.91Å; D316-T318 WeakPolarHBondContact OD1-CB 3.39Å; D316-T318 WeakPolarHBondContact OD1-CG2 3.44Å; D316-T318 PolarHBondContact OD1-N 3.06Å; D316-T318 PolarHBondContact OD1-OG1 3.33Å; D316-T318 PolarHBondContact OD2-OG1 3.19Å; D316-T318 VanDerWaalsContact OD2-OG1 3.09Å; T318-T320 PolarHBondContact O-N 2.84Å; T318-C741 HydrophobicContact CG2-CB 3.87Å; T318-F808 HydrophobicContact CG2-CD2 4.07Å; T318-F808 HydrophobicContact CG2-CE2 4.38Å |
| 319 | L | 73.6 | Confident | 67.7 | Low | 44 Ų | 44 | 43.2 Ų | 43.2 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | trans | -64.3 | 130.8 | -178.4 | -65.9 | 168.6 | 0 | 0 | 0 | 111.3 | A315 D316 Q323 L324 | A315-L319 HydrophobicContact CB-CD1 4.39Å; D316-L319 HydrophobicContact CB-CD1 4Å; D316-L319 HydrophobicContact CB-CG 3.91Å; D316-L319 WeakPolarHBondContact O-CB 3.35Å; D316-L319 WeakPolarHBondContact O-CG 3.49Å; D316-L319 PolarHBondContact O-N 3.32Å; L319-Q323 HydrophobicContact CB-CB 4.26Å; L319-Q323 HydrophobicContact CD2-CB 3.84Å; L319-L324 HydrophobicContact CB-CB 4.43Å | ||
| 320 | T | 71.7 | Confident | 68.3 | Low | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | trans | -64.2 | 158.4 | 166.3 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | T318 F322 Q323 L324 L532 | T318-T320 PolarHBondContact O-N 2.84Å; T320-F322 PolarHBondContact O-N 3.5Å; T320-Q323 PolarHBondContact O-N 2.92Å; T320-Q323 VanDerWaalsContact O-N 3.08Å; T320-Q323 WeakPolarHBondContact OG1-CB 3.48Å; T320-Q323 VanDerWaalsContact OG1-CD 3.26Å; T320-Q323 WeakPolarHBondContact OG1-CG 3.39Å; T320-Q323 PolarHBondContact OG1-N 3.45Å; T320-Q323 PolarHBondContact OG1-OE1 3.33Å; T320-L324 WeakPolarHBondContact O-CB 2.97Å; T320-L324 PolarHBondContact O-N 2.86Å; T320-L532 HydrophobicContact CG2-CD1 4.4Å; T320-L532 HydrophobicContact CG2-CD2 3.68Å; T320-L532 HydrophobicContact CG2-CG 4.47Å | ||
| 321 | L | 71.1 | Confident | 68.1 | Low | 78 Ų | 78 | 46.7 Ų | 46.7 | 41% | 0.408 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 179.1 | -169 | 75.6 | 0 | 0 | 0 | 111.2 | L324 H325 A410 V470 | L321-L324 PolarHBondContact O-N 2.83Å; L321-H325 PolarHBondContact O-CD2 3.14Å; L321-H325 PolarHBondContact O-N 2.9Å; L321-A410 HydrophobicContact CB-CB 4.35Å; L321-A410 HydrophobicContact CD2-CB 3.63Å; L321-A410 HydrophobicContact CG-CB 3.87Å; L321-V470 HydrophobicContact CB-CG1 4.22Å; L321-V470 HydrophobicContact CD2-CG1 4.2Å |
| 322 | F | 76.2 | Confident | 66.9 | Low | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.022 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -51.3 | 171.3 | 169.3 | -102.2 | 0 | 0 | 0 | 112.5 | T320 L324 H325 C326 L413 A414 Y417 Y424 V470 N472 | T320-F322 PolarHBondContact O-N 3.5Å; F322-L324 VanDerWaalsContact C-N 3.26Å; F322-L324 PolarHBondContact O-N 3.05Å; F322-H325 PolarHBondContact O-N 2.91Å; F322-C326 VanDerWaalsContact CZ-SG 3.51Å; F322-C326 PolarHBondContact O-N 2.79Å; F322-C326 PolarHBondContact O-SG 2.86Å; F322-C326 VanDerWaalsContact O-SG 3.4Å; F322-L413 HydrophobicContact CD2-CB 3.88Å; F322-L413 HydrophobicContact CE2-CB 3.82Å; F322-A414 HydrophobicContact CD2-CB 4.27Å; F322-A414 HydrophobicContact CE2-CB 4.33Å; F322-Y417 AromaticContact CZ-CD2 3.99Å; F322-Y417 HydrophobicContact CZ-CD2 3.99Å; F322-Y417 HydrophobicContact CZ-CG 4.03Å; F322-Y424 AromaticContact CE2-CE2 3.99Å; F322-Y424 HydrophobicContact CE2-CE2 3.99Å; F322-Y424 HydrophobicContact CZ-CE2 4.05Å; F322-V470 WeakPolarHBondContact CB-O 3.23Å; F322-V470 PolarHBondContact N-O 3.43Å; F322-V470 VanDerWaalsContact N-O 3.08Å; F322-N472 HydrophobicContact CD1-CB 4.19Å; F322-N472 HydrophobicContact CE1-CB 3.88Å |
| 323 | Q | 74.5 | Confident | 65.3 | Low | 78 Ų | 78 | 50.3 Ų | 50.3 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 178.7 | -74 | 166 | -38.2 | 0 | 0 | 112.2 | L319 T320 C326 W327 | L319-Q323 HydrophobicContact CB-CB 4.26Å; L319-Q323 HydrophobicContact CD2-CB 3.84Å; T320-Q323 PolarHBondContact O-N 2.92Å; T320-Q323 VanDerWaalsContact O-N 3.08Å; T320-Q323 WeakPolarHBondContact OG1-CB 3.48Å; T320-Q323 VanDerWaalsContact OG1-CD 3.26Å; T320-Q323 WeakPolarHBondContact OG1-CG 3.39Å; T320-Q323 PolarHBondContact OG1-N 3.45Å; T320-Q323 PolarHBondContact OG1-OE1 3.33Å; Q323-C326 PolarHBondContact O-N 2.83Å; Q323-W327 VanDerWaalsContact O-CB 3.28Å; Q323-W327 WeakPolarHBondContact O-CB 3.23Å; Q323-W327 PolarHBondContact O-N 2.76Å |
| 324 | L | 71 | Confident | 63.5 | Low | 52 Ų | 52 | 53.2 Ų | 53.2 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.7 | -175.6 | 139.5 | 0 | 0 | 0 | 111.6 | A315 L319 T320 L321 F322 W327 L328 | A315-L324 HydrophobicContact CB-CD1 3.8Å; L319-L324 HydrophobicContact CB-CB 4.43Å; T320-L324 WeakPolarHBondContact O-CB 2.97Å; T320-L324 PolarHBondContact O-N 2.86Å; L321-L324 PolarHBondContact O-N 2.83Å; F322-L324 VanDerWaalsContact C-N 3.26Å; F322-L324 PolarHBondContact O-N 3.05Å; L324-W327 PolarHBondContact O-N 3.22Å; L324-L328 HydrophobicContact CD2-CD1 3.68Å; L324-L328 HydrophobicContact CG-CD1 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.31Å; L324-L328 VanDerWaalsContact O-CG 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.29Å; L324-L328 PolarHBondContact O-N 3.07Å |
| 325 | H | 72.1 | Confident | 61.4 | Low | 45 Ų | 45 | 58.3 Ų | 58.3 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 172.9 | -77.7 | -73 | 0 | 0 | 0 | 112.7 | L321 F322 L328 L329 A414 | L321-H325 PolarHBondContact O-CD2 3.14Å; L321-H325 PolarHBondContact O-N 2.9Å; F322-H325 PolarHBondContact O-N 2.91Å; H325-L328 PolarHBondContact O-N 3.23Å; H325-L329 WeakPolarHBondContact O-CB 3.15Å; H325-L329 WeakPolarHBondContact O-CG 3.41Å; H325-L329 PolarHBondContact O-N 2.8Å; H325-A414 HydrophobicContact CB-CB 3.51Å |
| 326 | C | 73.4 | Confident | 59.3 | Low | 8 Ų | 8 | 65.3 Ų | 65.3 | 5% | 0.054 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 172.3 | -69.7 | 0 | 0 | 0 | 0 | 110.5 | F322 Q323 L328 L329 E330 | F322-C326 VanDerWaalsContact CZ-SG 3.51Å; F322-C326 PolarHBondContact O-N 2.79Å; F322-C326 PolarHBondContact O-SG 2.86Å; F322-C326 VanDerWaalsContact O-SG 3.4Å; Q323-C326 PolarHBondContact O-N 2.83Å; C326-L328 VanDerWaalsContact C-N 3.3Å; C326-L328 PolarHBondContact O-N 2.93Å; C326-L329 CarbonylContact O-C 3.54Å; C326-L329 PolarHBondContact O-N 3.28Å; C326-E330 WeakPolarHBondContact O-CB 3.48Å; C326-E330 VanDerWaalsContact O-CG 3.27Å; C326-E330 WeakPolarHBondContact O-CG 3.37Å; C326-E330 PolarHBondContact O-N 3.28Å |
| 327 | W | 70.1 | Confident | 57.1 | Low | 78 Ų | 78 | 72.4 Ų | 72.4 | 30% | 0.295 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -36 | 178.2 | 175.9 | 80.8 | 0 | 0 | 0 | 112.8 | H312 R313 A315 Q323 L324 | H312-W327 VanDerWaalsContact C-CZ2 3.47Å; H312-W327 WeakPolarHBondContact O-CH2 3.41Å; H312-W327 WeakPolarHBondContact O-CZ2 3.39Å; R313-W327 VanDerWaalsContact CA-CH2 3.49Å; A315-W327 HydrophobicContact CB-CZ3 4.41Å; Q323-W327 VanDerWaalsContact O-CB 3.28Å; Q323-W327 WeakPolarHBondContact O-CB 3.23Å; Q323-W327 PolarHBondContact O-N 2.76Å; L324-W327 PolarHBondContact O-N 3.22Å |
| 328 | L | 68.1 | Low | 54.9 | Low | 64 Ų | 64 | 80 Ų | 80 | 34% | 0.335 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69 | -33.2 | 172.7 | -75.7 | 168.6 | 0 | 0 | 0 | 113.4 | L324 H325 C326 P364 | L324-L328 HydrophobicContact CD2-CD1 3.68Å; L324-L328 HydrophobicContact CG-CD1 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.31Å; L324-L328 VanDerWaalsContact O-CG 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.29Å; L324-L328 PolarHBondContact O-N 3.07Å; H325-L328 PolarHBondContact O-N 3.23Å; C326-L328 VanDerWaalsContact C-N 3.3Å; C326-L328 PolarHBondContact O-N 2.93Å; L328-P364 WeakPolarHBondContact O-CD 3.29Å; L328-P364 WeakPolarHBondContact O-CG 3.43Å |
| 329 | L | 67.1 | Low | 52.4 | Low | 11 Ų | 11 | 86.6 Ų | 86.6 | 6% | 0.058 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -89.5 | -24.2 | -177.1 | -70.6 | 169.7 | 0 | 0 | 0 | 113.5 | H325 C326 R331 P364 W369 A372 A414 F415 | H325-L329 WeakPolarHBondContact O-CB 3.15Å; H325-L329 WeakPolarHBondContact O-CG 3.41Å; H325-L329 PolarHBondContact O-N 2.8Å; C326-L329 CarbonylContact O-C 3.54Å; C326-L329 PolarHBondContact O-N 3.28Å; L329-R331 PolarHBondContact O-N 3.34Å; L329-R331 VanDerWaalsContact O-N 3.09Å; L329-P364 HydrophobicContact CD2-CG 4.29Å; L329-W369 HydrophobicContact CD2-CG 4.48Å; L329-A372 HydrophobicContact CD1-CB 4.35Å; L329-A372 HydrophobicContact CD2-CB 4.18Å; L329-A414 HydrophobicContact CD1-CB 3.77Å; L329-F415 HydrophobicContact CD1-CB 4.33Å |
| 330 | E | 61.9 | Low | 49.9 | Very low | 117 Ų | 117 | 94.3 Ų | 94.3 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | trans | -59.2 | 111.8 | -177.7 | -88.5 | 174.5 | -170.9 | 0 | 0 | 110.8 | C326 | C326-E330 WeakPolarHBondContact O-CB 3.48Å; C326-E330 VanDerWaalsContact O-CG 3.27Å; C326-E330 WeakPolarHBondContact O-CG 3.37Å; C326-E330 PolarHBondContact O-N 3.28Å | ||
| 331 | R | 47.4 | Very low | 47.6 | Very low | 158 Ų | 158 | 100 Ų | 100 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | trans | -75.7 | 125.6 | 169.4 | -67.8 | 178.5 | 178.8 | 179.2 | 0.6 | 107.2 | L329 S333 | L329-R331 PolarHBondContact O-N 3.34Å; L329-R331 VanDerWaalsContact O-N 3.09Å; R331-S333 PolarHBondContact O-N 3.35Å | ||
| 332 | G | 37.3 | Very low | 45.3 | Very low | 54 Ų | 54 | 104.6 Ų | 104.6 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | trans | -50.4 | 95.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 333 | S | 25.2 | Very low | 42.8 | Very low | 120 Ų | 120 | 109.8 Ų | 109.8 | 84% | 0.839 | 59% | 0.589 | S | S | * | * | trans | -100 | 74 | 173.5 | 61.8 | 0 | 0 | 0 | 0 | 107.9 | R331 | R331-S333 PolarHBondContact O-N 3.35Š| ||
| 334 | S | 24.1 | Very low | 40.2 | Very low | 101 Ų | 101 | 115.2 Ų | 115.2 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | trans | -127.5 | 124.7 | 163.6 | 63.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 335 | S | 23.6 | Very low | 38 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 68.6 | 71.9 | 171.3 | 74.3 | 0 | 0 | 0 | 0 | 118.5 | ||
| 336 | K | 22.4 | Very low | 35.6 | Very low | 175 Ų | 175 | 126 Ų | 126 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | trans | -138.3 | 44.4 | 152.9 | -91.1 | -163 | 179.1 | -175.9 | 0 | 111.9 | ||||
| 337 | D | 25.9 | Very low | 33.2 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 88% | 0.882 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -123.7 | 10 | 173.8 | -85.7 | -23.6 | 0 | 0 | 0 | 114.3 | ||
| 338 | Q | 23.6 | Very low | 30.9 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -135.9 | 118.6 | 172.8 | -66.7 | -175.8 | -0.7 | 0 | 0 | 109.5 | ||
| 339 | L | 20.6 | Very low | 28.7 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 85.1 | 67.9 | -178.3 | -60.2 | 150.1 | 0 | 0 | 0 | 115.4 | ||
| 340 | F | 21.7 | Very low | 26.6 | Very low | 207 Ų | 207 | 152.1 Ų | 152.1 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | -171.9 | 89.8 | 129.5 | -90.4 | -64.2 | 0 | 0 | 0 | 108.9 | |||||
| 341 | S | 22.7 | Very low | 24.6 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -143.3 | 64.9 | 159.9 | -66.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 342 | E | 22.9 | Very low | 23.4 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -152.4 | 120.1 | 159.4 | -115.9 | 171.8 | -154 | 0 | 0 | 110.5 | ||
| 343 | S | 23.9 | Very low | 22.6 | Very low | 114 Ų | 114 | 155.7 Ų | 155.7 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | 65.7 | 89.7 | 162.2 | 48.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 344 | E | 20.4 | Very low | 22.5 | Very low | 191 Ų | 191 | 157.5 Ų | 157.5 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -57 | 129.9 | 136.1 | -63.9 | -173.8 | 149.4 | 0 | 0 | 109.1 | ||||
| 345 | E | 23.7 | Very low | 22.5 | Very low | 175 Ų | 175 | 162.2 Ų | 162.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -178.3 | 124.9 | 138 | -102.6 | 176.4 | -164.5 | 0 | 0 | 111.8 | ||||
| 346 | M | 21.8 | Very low | 22.5 | Very low | 150 Ų | 150 | 163.2 Ų | 163.2 | 74% | 0.739 | 84% | 0.835 | S | S | * | * | trans | 68.2 | 105 | 151.8 | -55.1 | 178.7 | 70.4 | 0 | 0 | 118.6 | ||||
| 347 | F | 23.7 | Very low | 22.6 | Very low | 204 Ų | 204 | 158.3 Ų | 158.3 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | 177.1 | 123.9 | 113.6 | -98.8 | -75 | 0 | 0 | 0 | 110.7 | |||||
| 348 | H | 21.8 | Very low | 22.6 | Very low | 183 Ų | 183 | 156.2 Ų | 156.2 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -70.2 | 155.7 | 170.7 | -78.4 | -80.3 | 0 | 0 | 0 | 112.5 | ||||
| 349 | Q | 20.7 | Very low | 22.7 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | trans | 79.1 | 99.3 | 161 | -63.2 | 176.6 | 5 | 0 | 0 | 118.1 | ||||
| 350 | N | 23.3 | Very low | 23.2 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | 168.1 | 142.3 | 104.7 | -84.6 | -35.4 | 0 | 0 | 0 | 111.1 | S352 | N350-S352 PolarHBondContact O-N 2.99Š| |||
| 351 | S | 19.6 | Very low | 23.7 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -46.6 | 122.9 | 170.1 | 50.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 352 | S | 22.4 | Very low | 24.1 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 174.8 | 115.7 | 132 | 36.1 | 0 | 0 | 0 | 0 | 109.9 | N350 | N350-S352 PolarHBondContact O-N 2.99Š| ||
| 353 | E | 20.8 | Very low | 24.6 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | 9.9 | 114.1 | 145.7 | -62.1 | 171 | 173.2 | 0 | 0 | 116.8 | ||||
| 354 | N | 22.4 | Very low | 25.5 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | trans | -171.5 | 67 | 147.2 | -86.4 | -29.4 | 0 | 0 | 0 | 109 | ||||
| 355 | E | 24.2 | Very low | 26.7 | Very low | 200 Ų | 200 | 129.3 Ų | 129.3 | 94% | 0.935 | 69% | 0.69 | S | S | * | * | trans | -89.3 | 110.4 | 165.8 | -77.7 | -173.5 | 171.1 | 0 | 0 | 108.9 | ||||
| 356 | V | 24.3 | Very low | 27.8 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | trans | -95.9 | 125.7 | -179.9 | 171.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 357 | G | 24.1 | Very low | 29.5 | Very low | 72 Ų | 72 | 124.3 Ų | 124.3 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | trans | 75.9 | 73.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 358 | L | 25.6 | Very low | 31.5 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 63% | 0.628 | 65% | 0.652 | S | S | * | * | trans | -116.6 | 112.3 | 157.7 | -76.1 | 163.9 | 0 | 0 | 0 | 108.3 | I360 | L358-I360 HydrophobicContact CB-CG1 4.14Å; L358-I360 PolarHBondContact O-N 3.43Å | ||
| 359 | N | 26 | Very low | 33.7 | Very low | 170 Ų | 170 | 113.8 Ų | 113.8 | 91% | 0.909 | 63% | 0.63 | S | S | * | * | trans | -64.1 | 86.8 | 163.8 | -91.7 | -16.8 | 0 | 0 | 0 | 107.5 | N361 | N359-N361 PolarHBondContact O-N 3.47Š| ||
| 360 | I | 30.9 | Very low | 36.2 | Very low | 112 Ų | 112 | 107.3 Ų | 107.3 | 57% | 0.574 | 61% | 0.606 | S | S | * | * | trans | -76.1 | 86.1 | 173.3 | -59.8 | 161.9 | 0 | 0 | 0 | 105.8 | L358 L362 L363 | L358-I360 HydrophobicContact CB-CG1 4.14Å; L358-I360 PolarHBondContact O-N 3.43Å; I360-L362 PolarHBondContact O-N 2.98Å; I360-L362 VanDerWaalsContact O-N 3.07Å; I360-L363 HydrophobicContact CG2-CD1 4.27Å | ||
| 361 | N | 33 | Very low | 38.7 | Very low | 73 Ų | 73 | 103.9 Ų | 103.9 | 39% | 0.39 | 59% | 0.588 | S | S | . | * | trans | -49.5 | 117.2 | 147.2 | -73.8 | -7.9 | 0 | 0 | 0 | 104.2 | N359 L363 | N359-N361 PolarHBondContact O-N 3.47Å; N361-L363 PolarHBondContact O-N 2.91Å; N361-L363 VanDerWaalsContact O-N 3.09Å | ||
| 362 | L | 30.7 | Very low | 41.5 | Very low | 63 Ų | 63 | 98.6 Ų | 98.6 | 33% | 0.33 | 55% | 0.551 | S | S | . | * | trans | -45.7 | 127.6 | -176.9 | -91.8 | 160 | 0 | 0 | 0 | 109.6 | I360 R872 | I360-L362 PolarHBondContact O-N 2.98Å; I360-L362 VanDerWaalsContact O-N 3.07Å; L362-R872 HydrophobicContact CD1-CB 3.9Å; L362-R872 HydrophobicContact CD1-CG 3Å; L362-R872 HydrophobicContact CD2-CB 4.43Å; L362-R872 HydrophobicContact CD2-CG 3.75Å; L362-R872 HydrophobicContact CG-CB 4.29Å; L362-R872 HydrophobicContact CG-CG 3.2Å | ||
| 363 | L | 33.5 | Very low | 44.3 | Very low | 96 Ų | 96 | 94.5 Ų | 94.5 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | trans | -49 | 138.6 | 152.8 | -74.5 | 88.3 | 0 | 0 | 0 | 107.4 | I360 N361 | I360-L363 HydrophobicContact CG2-CD1 4.27Å; N361-L363 PolarHBondContact O-N 2.91Å; N361-L363 VanDerWaalsContact O-N 3.09Å | ||
| 364 | P | 42.5 | Very low | 47.2 | Very low | 14 Ų | 14 | 91.5 Ų | 91.5 | 9% | 0.091 | 51% | 0.508 | C | S | . | . | trans | -45.8 | 143.3 | 165.3 | 22.6 | -33.3 | 0 | 0 | 0 | 107.7 | L328 L329 D368 W369 | L328-P364 WeakPolarHBondContact O-CD 3.29Å; L328-P364 WeakPolarHBondContact O-CG 3.43Å; L329-P364 HydrophobicContact CD2-CG 4.29Å; P364-D368 HydrophobicContact CB-CB 4.04Å; P364-W369 HydrophobicContact CG-CB 4.4Å | ||
| 365 | P | 46.7 | Very low | 50 | Low | 63 Ų | 63 | 84.1 Ų | 84.1 | 41% | 0.409 | 47% | 0.469 | S | S | . | . | trans | -45.5 | 135.7 | 179.2 | 18.8 | -29.3 | 0 | 0 | 0 | 107.9 | D367 D368 | P365-D367 CarbonylContact O-C 3.58Å; P365-D367 PolarHBondContact O-N 2.83Å; P365-D368 WeakPolarHBondContact CD-OD2 3.43Å; P365-D368 HydrophobicContact CG-CB 4.48Å; P365-D368 VanDerWaalsContact CG-OD2 3.32Å; P365-D368 WeakPolarHBondContact CG-OD2 3.49Å; P365-D368 PolarHBondContact O-N 3.35Å | ||
| 366 | P | 46.8 | Very low | 52.8 | Low | 109 Ų | 109 | 74.8 Ų | 74.8 | 71% | 0.708 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -51.8 | -21.5 | -169.5 | 15.9 | -29.6 | 0 | 0 | 0 | 113.5 | A370 | P366-A370 VanDerWaalsContact O-CB 3.29Å; P366-A370 WeakPolarHBondContact O-CB 3.22Å; P366-A370 PolarHBondContact O-N 2.92Å |
| 367 | D | 57 | Low | 55.6 | Low | 111 Ų | 111 | 74.6 Ų | 74.6 | 59% | 0.594 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.9 | -51.1 | 170.6 | -54.3 | -22 | 0 | 0 | 0 | 112.7 | P365 W369 A370 D371 | P365-D367 CarbonylContact O-C 3.58Å; P365-D367 PolarHBondContact O-N 2.83Å; D367-W369 PolarHBondContact O-N 3.34Å; D367-A370 PolarHBondContact O-N 2.85Å; D367-D371 WeakPolarHBondContact O-CB 3.45Å; D367-D371 PolarHBondContact O-N 3.02Å |
| 368 | D | 65 | Low | 58.4 | Low | 67 Ų | 67 | 74.3 Ų | 74.3 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.6 | -37 | -175.6 | -68.9 | -16.1 | 0 | 0 | 0 | 112.6 | P364 P365 A372 | P364-D368 HydrophobicContact CB-CB 4.04Å; P365-D368 WeakPolarHBondContact CD-OD2 3.43Å; P365-D368 HydrophobicContact CG-CB 4.48Å; P365-D368 VanDerWaalsContact CG-OD2 3.32Å; P365-D368 WeakPolarHBondContact CG-OD2 3.49Å; P365-D368 PolarHBondContact O-N 3.35Å; D368-A372 WeakPolarHBondContact O-CB 3.27Å; D368-A372 PolarHBondContact O-N 3.22Å |
| 369 | W | 68.8 | Low | 61.1 | Low | 98 Ų | 98 | 68.8 Ų | 68.8 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.9 | -36.4 | 177.1 | -165 | 90.8 | 0 | 0 | 0 | 111.3 | L329 P364 D367 S373 F415 | L329-W369 HydrophobicContact CD2-CG 4.48Å; P364-W369 HydrophobicContact CG-CB 4.4Å; D367-W369 PolarHBondContact O-N 3.34Å; W369-S373 WeakPolarHBondContact O-CB 3.43Å; W369-S373 PolarHBondContact O-N 3.41Å; W369-F415 AromaticContact CD2-CE2 3.96Å; W369-F415 HydrophobicContact CD2-CE2 3.96Å; W369-F415 AromaticContact CE2-CE2 3.45Å; W369-F415 VanDerWaalsContact CE2-CE2 3.45Å; W369-F415 HydrophobicContact CE3-CE2 4.32Å; W369-F415 AromaticContact CH2-CE2 3.79Å; W369-F415 HydrophobicContact CH2-CE2 3.79Å; W369-F415 AromaticContact CH2-CZ 3.9Å; W369-F415 HydrophobicContact CH2-CZ 3.9Å; W369-F415 HydrophobicContact CZ2-CD2 4.48Å; W369-F415 AromaticContact CZ2-CE2 3.38Å; W369-F415 HydrophobicContact CZ2-CE2 3.38Å; W369-F415 AromaticContact CZ2-CZ 3.76Å; W369-F415 HydrophobicContact CZ2-CZ 3.76Å; W369-F415 HydrophobicContact CZ3-CE2 4.24Å; W369-F415 AromaticContact NE1-CE2 3.82Å |
| 370 | A | 72.9 | Confident | 63.7 | Low | 38 Ų | 38 | 61.6 Ų | 61.6 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P366 D367 S373 Q374 | P366-A370 VanDerWaalsContact O-CB 3.29Å; P366-A370 WeakPolarHBondContact O-CB 3.22Å; P366-A370 PolarHBondContact O-N 2.92Å; D367-A370 PolarHBondContact O-N 2.85Å; A370-S373 PolarHBondContact O-N 3.06Å; A370-Q374 WeakPolarHBondContact O-CB 3.34Å; A370-Q374 VanDerWaalsContact O-CG 3.27Å; A370-Q374 WeakPolarHBondContact O-CG 3.39Å; A370-Q374 PolarHBondContact O-N 3.05Å; A370-Q374 PolarHBondContact O-NE2 2.73Å |
| 371 | D | 75.2 | Confident | 66.1 | Low | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 174.6 | -70.2 | -16 | 0 | 0 | 0 | 110.4 | D367 S373 Q374 S375 E411 | D367-D371 WeakPolarHBondContact O-CB 3.45Å; D367-D371 PolarHBondContact O-N 3.02Å; D371-S373 PolarHBondContact O-N 3.37Å; D371-Q374 PolarHBondContact O-N 3.39Å; D371-S375 WeakPolarHBondContact O-CB 3.31Å; D371-S375 PolarHBondContact O-N 3.14Å; D371-E411 WeakPolarHBondContact CB-OE1 3.17Å |
| 372 | A | 78.8 | Confident | 68.2 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L329 D368 S375 A376 E411 F415 | L329-A372 HydrophobicContact CD1-CB 4.35Å; L329-A372 HydrophobicContact CD2-CB 4.18Å; D368-A372 WeakPolarHBondContact O-CB 3.27Å; D368-A372 PolarHBondContact O-N 3.22Å; A372-S375 PolarHBondContact O-N 3.32Å; A372-S375 PolarHBondContact O-OG 3.22Å; A372-A376 WeakPolarHBondContact O-CB 3.33Å; A372-A376 PolarHBondContact O-N 3.27Å; A372-E411 WeakPolarHBondContact CA-OE1 3.5Å; A372-E411 HydrophobicContact CB-CG 3.58Å; A372-E411 PolarHBondContact N-OE1 3.4Å; A372-F415 HydrophobicContact CB-CB 4.22Å; A372-F415 HydrophobicContact CB-CD2 4.11Å |
| 373 | S | 81.1 | Confident | 70.5 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 173.7 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | W369 A370 D371 S375 A376 E377 | W369-S373 WeakPolarHBondContact O-CB 3.43Å; W369-S373 PolarHBondContact O-N 3.41Å; A370-S373 PolarHBondContact O-N 3.06Å; D371-S373 PolarHBondContact O-N 3.37Å; S373-S375 VanDerWaalsContact C-N 3.33Å; S373-S375 PolarHBondContact O-N 3.4Å; S373-A376 PolarHBondContact O-N 2.88Å; S373-E377 WeakPolarHBondContact O-CG 3.37Å; S373-E377 PolarHBondContact O-N 2.84Å |
| 374 | Q | 81.7 | Confident | 72.6 | Confident | 119 Ų | 119 | 60.6 Ų | 60.6 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 177.3 | -76.3 | 169.8 | 64.5 | 0 | 0 | 111.6 | A370 D371 F378 | A370-Q374 WeakPolarHBondContact O-CB 3.34Å; A370-Q374 VanDerWaalsContact O-CG 3.27Å; A370-Q374 WeakPolarHBondContact O-CG 3.39Å; A370-Q374 PolarHBondContact O-N 3.05Å; A370-Q374 PolarHBondContact O-NE2 2.73Å; D371-Q374 PolarHBondContact O-N 3.39Å; Q374-F378 PolarHBondContact O-N 2.98Å; Q374-F378 VanDerWaalsContact O-N 3.11Å |
| 375 | S | 81 | Confident | 74.2 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.1 | 83.2 | 0 | 0 | 0 | 0 | 111.4 | D371 A372 S373 F378 L379 S412 | D371-S375 WeakPolarHBondContact O-CB 3.31Å; D371-S375 PolarHBondContact O-N 3.14Å; A372-S375 PolarHBondContact O-N 3.32Å; A372-S375 PolarHBondContact O-OG 3.22Å; S373-S375 VanDerWaalsContact C-N 3.33Å; S373-S375 PolarHBondContact O-N 3.4Å; S375-F378 WeakPolarHBondContact O-CB 3.26Å; S375-F378 PolarHBondContact O-N 2.86Å; S375-L379 PolarHBondContact O-N 3.47Å; S375-S412 VanDerWaalsContact CB-OG 3.27Å; S375-S412 WeakPolarHBondContact CB-OG 3.31Å; S375-S412 PolarHBondContact O-OG 2.96Å; S375-S412 WeakPolarHBondContact OG-CA 3.48Å; S375-S412 PolarHBondContact OG-N 2.9Å; S375-S412 PolarHBondContact OG-OG 3.38Å |
| 376 | A | 83.1 | Confident | 75.3 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | A372 S373 F378 L379 V380 S412 F415 L416 | A372-A376 WeakPolarHBondContact O-CB 3.33Å; A372-A376 PolarHBondContact O-N 3.27Å; S373-A376 PolarHBondContact O-N 2.88Å; A376-F378 VanDerWaalsContact C-N 3.32Å; A376-F378 PolarHBondContact O-N 3.29Å; A376-L379 PolarHBondContact O-N 3.29Å; A376-V380 WeakPolarHBondContact O-CB 3.35Å; A376-V380 VanDerWaalsContact O-CG2 3.26Å; A376-V380 WeakPolarHBondContact O-CG2 3.16Å; A376-V380 PolarHBondContact O-N 3.05Å; A376-S412 PolarHBondContact N-OG 3.38Å; A376-F415 HydrophobicContact CB-CB 4.14Å; A376-F415 HydrophobicContact CB-CD1 3.49Å; A376-F415 VanDerWaalsContact CB-CD1 3.49Å; A376-F415 HydrophobicContact CB-CE1 4.16Å; A376-F415 HydrophobicContact CB-CG 4.03Å; A376-L416 HydrophobicContact CB-CG 4.22Å |
| 377 | E | 83.5 | Confident | 76.1 | Confident | 134 Ų | 134 | 61.2 Ų | 61.2 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.5 | -45.1 | 173.4 | -76.2 | -175.8 | 175.2 | 0 | 0 | 111.4 | S373 L379 V380 E381 | S373-E377 WeakPolarHBondContact O-CG 3.37Å; S373-E377 PolarHBondContact O-N 2.84Å; E377-L379 PolarHBondContact O-N 3.21Å; E377-V380 PolarHBondContact O-N 3.47Å; E377-E381 WeakPolarHBondContact O-CB 3.39Å; E377-E381 PolarHBondContact O-N 2.91Å |
| 378 | F | 83.2 | Confident | 75.8 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 175.5 | 173.1 | -100.7 | 0 | 0 | 0 | 112.2 | Q374 S375 A376 E381 M382 T404 H408 | Q374-F378 PolarHBondContact O-N 2.98Å; Q374-F378 VanDerWaalsContact O-N 3.11Å; S375-F378 WeakPolarHBondContact O-CB 3.26Å; S375-F378 PolarHBondContact O-N 2.86Å; A376-F378 VanDerWaalsContact C-N 3.32Å; A376-F378 PolarHBondContact O-N 3.29Å; F378-E381 PolarHBondContact O-N 3.41Å; F378-M382 HydrophobicContact CE1-CG 4.16Å; F378-M382 HydrophobicContact CE2-CG 4.17Å; F378-M382 HydrophobicContact CZ-CG 3.96Å; F378-M382 VanDerWaalsContact O-CB 3.32Å; F378-M382 WeakPolarHBondContact O-CB 3.32Å; F378-M382 VanDerWaalsContact O-CG 3.29Å; F378-M382 WeakPolarHBondContact O-CG 3.27Å; F378-M382 PolarHBondContact O-N 3.06Å; F378-T404 WeakPolarHBondContact CZ-OG1 3.44Å; F378-H408 HydrophobicContact CD1-CB 4.4Å; F378-H408 AromaticContact CD1-CD2 3.97Å |
| 379 | L | 81.2 | Confident | 75 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.1 | -39 | -179.3 | -162.3 | 149.7 | 0 | 0 | 0 | 112.2 | S375 A376 E377 M382 A383 L409 I427 | S375-L379 PolarHBondContact O-N 3.47Å; A376-L379 PolarHBondContact O-N 3.29Å; E377-L379 PolarHBondContact O-N 3.21Å; L379-M382 WeakPolarHBondContact O-CB 3.42Å; L379-M382 PolarHBondContact O-N 3.4Å; L379-A383 WeakPolarHBondContact O-CB 3.44Å; L379-A383 PolarHBondContact O-N 2.99Å; L379-L409 HydrophobicContact CD1-CD1 3.8Å; L379-I427 HydrophobicContact CD2-CB 4.19Å; L379-I427 HydrophobicContact CD2-CD1 3.62Å; L379-I427 HydrophobicContact CD2-CG1 3.85Å; L379-I427 HydrophobicContact CD2-CG2 3.3Å |
| 380 | V | 81.4 | Confident | 74.2 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 175 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | A376 E377 A383 K384 L416 I427 | A376-V380 WeakPolarHBondContact O-CB 3.35Å; A376-V380 VanDerWaalsContact O-CG2 3.26Å; A376-V380 WeakPolarHBondContact O-CG2 3.16Å; A376-V380 PolarHBondContact O-N 3.05Å; E377-V380 PolarHBondContact O-N 3.47Å; V380-A383 PolarHBondContact O-N 3Å; V380-K384 HydrophobicContact CG1-CD 4.05Å; V380-K384 WeakPolarHBondContact O-CB 3.3Å; V380-K384 VanDerWaalsContact O-CG 3.29Å; V380-K384 WeakPolarHBondContact O-CG 3.49Å; V380-K384 PolarHBondContact O-N 2.82Å; V380-L416 HydrophobicContact CG2-CD1 4.35Å; V380-L416 HydrophobicContact CG2-CD2 4.08Å; V380-I427 HydrophobicContact CG2-CD1 3.78Å |
| 381 | E | 80.8 | Confident | 73 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 176 | -170.3 | -177.3 | 174.5 | 0 | 0 | 111.2 | E377 F378 K384 K385 | E377-E381 WeakPolarHBondContact O-CB 3.39Å; E377-E381 PolarHBondContact O-N 2.91Å; F378-E381 PolarHBondContact O-N 3.41Å; E381-K384 PolarHBondContact O-N 3.47Å; E381-K385 WeakPolarHBondContact O-CB 3.48Å; E381-K385 PolarHBondContact O-N 2.95Å |
| 382 | M | 77.9 | Confident | 72 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 175 | -83.8 | -67.2 | -62.1 | 0 | 0 | 112.8 | F378 L379 K384 K385 Y386 A401 W434 | F378-M382 HydrophobicContact CE1-CG 4.16Å; F378-M382 HydrophobicContact CE2-CG 4.17Å; F378-M382 HydrophobicContact CZ-CG 3.96Å; F378-M382 VanDerWaalsContact O-CB 3.32Å; F378-M382 WeakPolarHBondContact O-CB 3.32Å; F378-M382 VanDerWaalsContact O-CG 3.29Å; F378-M382 WeakPolarHBondContact O-CG 3.27Å; F378-M382 PolarHBondContact O-N 3.06Å; L379-M382 WeakPolarHBondContact O-CB 3.42Å; L379-M382 PolarHBondContact O-N 3.4Å; M382-K384 PolarHBondContact O-N 3.25Å; M382-K385 PolarHBondContact O-N 3.47Å; M382-Y386 HydrophobicContact CE-CD2 3.81Å; M382-Y386 HydrophobicContact CE-CE2 3.49Å; M382-Y386 VanDerWaalsContact CE-CE2 3.49Å; M382-Y386 VanDerWaalsContact O-CD2 3.3Å; M382-Y386 WeakPolarHBondContact O-CD2 3.29Å; M382-Y386 PolarHBondContact O-N 3.17Å; M382-Y386 HydrophobicContact SD-CD2 4.25Å; M382-Y386 HydrophobicContact SD-CE2 3.67Å; M382-A401 HydrophobicContact CE-CB 3.27Å; M382-A401 HydrophobicContact SD-CB 3.7Å; M382-W434 HydrophobicContact CB-CH2 4.35Å; M382-W434 HydrophobicContact CE-CH2 4.34Å |
| 383 | A | 77.9 | Confident | 70.9 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L379 V380 K385 Y386 C387 I427 T430 | L379-A383 WeakPolarHBondContact O-CB 3.44Å; L379-A383 PolarHBondContact O-N 2.99Å; V380-A383 PolarHBondContact O-N 3Å; A383-K385 VanDerWaalsContact C-N 3.33Å; A383-K385 PolarHBondContact O-N 3.39Å; A383-Y386 PolarHBondContact O-N 2.95Å; A383-C387 WeakPolarHBondContact O-CB 3.46Å; A383-C387 PolarHBondContact O-N 2.98Å; A383-I427 HydrophobicContact CB-CG1 4.19Å; A383-T430 HydrophobicContact CB-CG2 4.37Å |
| 384 | K | 77.9 | Confident | 70.1 | Confident | 153 Ų | 153 | 63.9 Ų | 63.9 | 67% | 0.665 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.2 | -39.5 | 177.5 | -73.1 | 171.2 | -178.2 | 171 | 0 | 113.1 | V380 E381 M382 Y386 | V380-K384 HydrophobicContact CG1-CD 4.05Å; V380-K384 WeakPolarHBondContact O-CB 3.3Å; V380-K384 VanDerWaalsContact O-CG 3.29Å; V380-K384 WeakPolarHBondContact O-CG 3.49Å; V380-K384 PolarHBondContact O-N 2.82Å; E381-K384 PolarHBondContact O-N 3.47Å; M382-K384 PolarHBondContact O-N 3.25Å; K384-Y386 PolarHBondContact O-N 3.15Å |
| 385 | K | 75.5 | Confident | 69.5 | Low | 114 Ų | 114 | 62.9 Ų | 62.9 | 50% | 0.496 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | -179.7 | -169.7 | -179 | 176.8 | -159.2 | 0 | 112.6 | E381 M382 A383 E397 | E381-K385 WeakPolarHBondContact O-CB 3.48Å; E381-K385 PolarHBondContact O-N 2.95Å; M382-K385 PolarHBondContact O-N 3.47Å; A383-K385 VanDerWaalsContact C-N 3.33Å; A383-K385 PolarHBondContact O-N 3.39Å; K385-E397 IonicContact NZ-OE2 2.79Å; K385-E397 PolarHBondContact NZ-OE2 3.28Å |
| 386 | Y | 71.7 | Confident | 69 | Low | 19 Ų | 19 | 65.9 Ų | 65.9 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -114.1 | 4.1 | -173.1 | -57.4 | -72.1 | 0 | 0 | 0 | 115 | M382 A383 K384 S388 E397 W398 A401 W434 | M382-Y386 HydrophobicContact CE-CD2 3.81Å; M382-Y386 HydrophobicContact CE-CE2 3.49Å; M382-Y386 VanDerWaalsContact CE-CE2 3.49Å; M382-Y386 VanDerWaalsContact O-CD2 3.3Å; M382-Y386 WeakPolarHBondContact O-CD2 3.29Å; M382-Y386 PolarHBondContact O-N 3.17Å; M382-Y386 HydrophobicContact SD-CD2 4.25Å; M382-Y386 HydrophobicContact SD-CE2 3.67Å; A383-Y386 PolarHBondContact O-N 2.95Å; K384-Y386 PolarHBondContact O-N 3.15Å; Y386-S388 VanDerWaalsContact C-N 3.35Å; Y386-E397 PolarHBondContact OH-O 3.47Å; Y386-W398 HydrophobicContact CD1-CB 4.17Å; Y386-W398 AromaticContact CD1-CD1 3.91Å; Y386-W398 HydrophobicContact CD1-CG 4.43Å; Y386-W398 AromaticContact CD2-CD1 3.98Å; Y386-W398 HydrophobicContact CE1-CB 3.87Å; Y386-W398 AromaticContact CG-CD1 3.74Å; Y386-A401 HydrophobicContact CE2-CB 4.46Å; Y386-W434 HydrophobicContact CD2-CZ2 4.44Å |
| 387 | C | 61.6 | Low | 68.6 | Low | 66 Ų | 66 | 71.7 Ų | 71.7 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | trans | -80.6 | -7 | 177.9 | -126.9 | 0 | 0 | 0 | 0 | 114.9 | A383 G389 T430 | A383-C387 WeakPolarHBondContact O-CB 3.46Å; A383-C387 PolarHBondContact O-N 2.98Å; C387-G389 PolarHBondContact O-N 3Å; C387-T430 PolarHBondContact SG-OG1 3.24Å | ||
| 388 | S | 50.8 | Low | 68.6 | Low | 73 Ų | 73 | 65.3 Ų | 65.3 | 51% | 0.51 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -66.1 | 122.4 | 177.5 | 57.5 | 0 | 0 | 0 | 0 | 109 | Y386 S390 | Y386-S388 VanDerWaalsContact C-N 3.35Å; S388-S390 PolarHBondContact O-N 3.25Å |
| 389 | G | 49.8 | Very low | 68.3 | Low | 89 Ų | 89 | 62.1 Ų | 62.1 | 92% | 0.918 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -58.2 | 19.9 | -178 | 0 | 0 | 0 | 0 | 0 | 117.1 | C387 | C387-G389 PolarHBondContact O-N 3Š|
| 390 | S | 51.1 | Low | 68.2 | Low | 52 Ų | 52 | 65 Ų | 65 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | trans | -84.1 | 106.2 | 164.3 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | S388 T392 G393 | S388-S390 PolarHBondContact O-N 3.25Å; S390-T392 PolarHBondContact O-N 3.43Å; S390-G393 PolarHBondContact O-N 2.88Å | ||
| 391 | T | 48.7 | Very low | 67.9 | Low | 93 Ų | 93 | 64.9 Ų | 64.9 | 57% | 0.571 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -57.6 | -13.1 | 168.7 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | G393 | T391-G393 VanDerWaalsContact C-N 3.29Å; T391-G393 PolarHBondContact O-N 3.44Å |
| 392 | T | 52.8 | Low | 67.8 | Low | 104 Ų | 104 | 58.7 Ų | 58.7 | 64% | 0.638 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -80.3 | -3 | 179.5 | 57.6 | 0 | 0 | 0 | 0 | 114 | S390 H395 | S390-T392 PolarHBondContact O-N 3.43Å; T392-H395 PolarHBondContact O-CD2 3.44Å; T392-H395 PolarHBondContact O-NE2 3.47Å; T392-H395 VanDerWaalsContact O-NE2 3.09Å |
| 393 | G | 56.6 | Low | 67.7 | Low | 36 Ų | 36 | 62.1 Ų | 62.1 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -90.8 | -10.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | S390 T391 H395 | S390-G393 PolarHBondContact O-N 2.88Å; T391-G393 VanDerWaalsContact C-N 3.29Å; T391-G393 PolarHBondContact O-N 3.44Å; G393-H395 VanDerWaalsContact C-N 3.29Å; G393-H395 PolarHBondContact O-N 3Å |
| 394 | F | 64.3 | Low | 67.5 | Low | 23 Ų | 23 | 64.7 Ų | 64.7 | 10% | 0.101 | 38% | 0.377 | C | S | . | . | trans | -82.3 | 67.4 | -174.6 | -59.5 | -70.1 | 0 | 0 | 0 | 112.2 | W398 T437 Q447 | F394-W398 AromaticContact CD1-CD1 3.85Å; F394-W398 AromaticContact CD1-CD2 3.85Å; F394-W398 HydrophobicContact CD1-CD2 3.85Å; F394-W398 AromaticContact CD1-CE2 3.74Å; F394-W398 AromaticContact CD1-CG 3.87Å; F394-W398 HydrophobicContact CD1-CG 3.87Å; F394-W398 HydrophobicContact CD1-CZ2 4.27Å; F394-W398 AromaticContact CD1-NE1 3.77Å; F394-W398 AromaticContact CE1-NE1 3.9Å; F394-T437 HydrophobicContact CE2-CG2 4.35Å; F394-Q447 PolarHBondContact O-NE2 3.31Å | ||
| 395 | H | 67.9 | Low | 67.6 | Low | 98 Ų | 98 | 57.8 Ų | 57.8 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -101.3 | -160.8 | 179.2 | -70 | -49.5 | 0 | 0 | 0 | 112.4 | T392 G393 E397 W398 V399 | T392-H395 PolarHBondContact O-CD2 3.44Å; T392-H395 PolarHBondContact O-NE2 3.47Å; T392-H395 VanDerWaalsContact O-NE2 3.09Å; G393-H395 VanDerWaalsContact C-N 3.29Å; G393-H395 PolarHBondContact O-N 3Å; H395-E397 VanDerWaalsContact C-N 3.28Å; H395-E397 PolarHBondContact O-N 3.11Å; H395-W398 PolarHBondContact O-N 3.37Å; H395-W398 VanDerWaalsContact O-N 3.15Å; H395-V399 PolarHBondContact O-N 2.99Å |
| 396 | E | 71.5 | Confident | 67.3 | Low | 66 Ų | 66 | 54.1 Ų | 54.1 | 31% | 0.308 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -52.7 | -40.8 | -178.2 | -57.8 | -172.1 | 160.9 | 0 | 0 | 112.8 | W398 V399 D400 N449 Y452 | E396-W398 VanDerWaalsContact C-N 3.33Å; E396-W398 PolarHBondContact O-N 3.32Å; E396-V399 PolarHBondContact O-N 3.18Å; E396-D400 PolarHBondContact O-N 3.45Å; E396-N449 WeakPolarHBondContact OE1-CB 3.41Å; E396-N449 PolarHBondContact OE1-ND2 3.25Å; E396-Y452 HydrophobicContact CB-CD1 3.92Å; E396-Y452 HydrophobicContact CB-CD2 4.42Å; E396-Y452 HydrophobicContact CB-CE1 3.57Å; E396-Y452 HydrophobicContact CB-CE2 4.1Å; E396-Y452 HydrophobicContact CB-CG 4.33Å; E396-Y452 HydrophobicContact CG-CD1 3.85Å; E396-Y452 HydrophobicContact CG-CD2 3.69Å; E396-Y452 HydrophobicContact CG-CE1 3.9Å; E396-Y452 HydrophobicContact CG-CE2 3.73Å; E396-Y452 HydrophobicContact CG-CG 3.74Å; E396-Y452 VanDerWaalsContact OE1-CD2 3.25Å; E396-Y452 WeakPolarHBondContact OE1-CD2 3.41Å; E396-Y452 WeakPolarHBondContact OE1-CE2 3.47Å |
| 397 | E | 75.3 | Confident | 67.3 | Low | 125 Ų | 125 | 57.8 Ų | 57.8 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.4 | -35.7 | 179.5 | -65.3 | -172.5 | -165.6 | 0 | 0 | 113.8 | K385 Y386 H395 A401 | K385-E397 IonicContact NZ-OE2 2.79Å; K385-E397 PolarHBondContact NZ-OE2 3.28Å; Y386-E397 PolarHBondContact OH-O 3.47Å; H395-E397 VanDerWaalsContact C-N 3.28Å; H395-E397 PolarHBondContact O-N 3.11Å; E397-A401 VanDerWaalsContact O-CB 3.22Å; E397-A401 WeakPolarHBondContact O-CB 3.45Å; E397-A401 PolarHBondContact O-N 2.91Å; E397-A401 VanDerWaalsContact O-N 3.09Å |
| 398 | W | 82.3 | Confident | 67.9 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 178.3 | 174.9 | 81.8 | 0 | 0 | 0 | 110.7 | Y386 F394 H395 E396 A401 L402 W434 H456 | Y386-W398 HydrophobicContact CD1-CB 4.17Å; Y386-W398 AromaticContact CD1-CD1 3.91Å; Y386-W398 HydrophobicContact CD1-CG 4.43Å; Y386-W398 AromaticContact CD2-CD1 3.98Å; Y386-W398 HydrophobicContact CE1-CB 3.87Å; Y386-W398 AromaticContact CG-CD1 3.74Å; F394-W398 AromaticContact CD1-CD1 3.85Å; F394-W398 AromaticContact CD1-CD2 3.85Å; F394-W398 HydrophobicContact CD1-CD2 3.85Å; F394-W398 AromaticContact CD1-CE2 3.74Å; F394-W398 AromaticContact CD1-CG 3.87Å; F394-W398 HydrophobicContact CD1-CG 3.87Å; F394-W398 HydrophobicContact CD1-CZ2 4.27Å; F394-W398 AromaticContact CD1-NE1 3.77Å; F394-W398 AromaticContact CE1-NE1 3.9Å; H395-W398 PolarHBondContact O-N 3.37Å; H395-W398 VanDerWaalsContact O-N 3.15Å; E396-W398 VanDerWaalsContact C-N 3.33Å; E396-W398 PolarHBondContact O-N 3.32Å; W398-A401 PolarHBondContact O-N 3.02Å; W398-L402 HydrophobicContact CD2-CD1 3.87Å; W398-L402 HydrophobicContact CD2-CG 4.19Å; W398-L402 HydrophobicContact CE3-CD1 3.86Å; W398-L402 HydrophobicContact CH2-CD1 3.32Å; W398-L402 HydrophobicContact CZ2-CD1 3.31Å; W398-L402 HydrophobicContact CZ2-CG 4.14Å; W398-L402 HydrophobicContact CZ3-CD1 3.58Å; W398-L402 WeakPolarHBondContact O-CG 3.48Å; W398-L402 PolarHBondContact O-N 3.11Å; W398-W434 HydrophobicContact CZ2-CB 4.08Å; W398-W434 HydrophobicContact CZ2-CG 4.1Å; W398-W434 AromaticContact NE1-CD1 3.94Å; W398-W434 AromaticContact NE1-CD2 3.87Å; W398-W434 AromaticContact NE1-CE2 3.81Å; W398-W434 AromaticContact NE1-CG 3.99Å; W398-W434 AromaticContact NE1-NE1 3.82Å; W398-H456 AromaticContact CZ3-CE1 3.53Å; W398-H456 AromaticContact CZ3-ND1 3.78Å; W398-H456 AromaticContact CZ3-NE2 3.91Å |
| 399 | V | 77 | Confident | 69.3 | Low | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | H395 E396 A401 L402 D403 Y452 K455 H456 A459 | H395-V399 PolarHBondContact O-N 2.99Å; E396-V399 PolarHBondContact O-N 3.18Å; V399-A401 VanDerWaalsContact C-N 3.26Å; V399-A401 PolarHBondContact O-N 2.93Å; V399-L402 PolarHBondContact O-N 2.81Å; V399-D403 PolarHBondContact O-N 2.9Å; V399-Y452 HydrophobicContact CB-CD1 4.14Å; V399-Y452 HydrophobicContact CB-CE1 4.44Å; V399-Y452 HydrophobicContact CG1-CD1 4.17Å; V399-Y452 HydrophobicContact CG2-CD1 4.44Å; V399-K455 HydrophobicContact CG1-CB 3.66Å; V399-H456 HydrophobicContact CG2-CB 4.07Å; V399-A459 HydrophobicContact CG1-CB 4.32Å |
| 400 | D | 79.1 | Confident | 70.6 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 34% | 0.342 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.2 | -31.3 | -179.9 | -68.8 | -33.3 | 0 | 0 | 0 | 111.5 | E396 Y452 K455 | E396-D400 PolarHBondContact O-N 3.45Å; D400-Y452 PolarHBondContact OD2-OH 3.26Å; D400-K455 IonicContact OD1-NZ 3.57Å |
| 401 | A | 76.4 | Confident | 71.8 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.7 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M382 Y386 E397 W398 V399 D403 T404 | M382-A401 HydrophobicContact CE-CB 3.27Å; M382-A401 HydrophobicContact SD-CB 3.7Å; Y386-A401 HydrophobicContact CE2-CB 4.46Å; E397-A401 VanDerWaalsContact O-CB 3.22Å; E397-A401 WeakPolarHBondContact O-CB 3.45Å; E397-A401 PolarHBondContact O-N 2.91Å; E397-A401 VanDerWaalsContact O-N 3.09Å; W398-A401 PolarHBondContact O-N 3.02Å; V399-A401 VanDerWaalsContact C-N 3.26Å; V399-A401 PolarHBondContact O-N 2.93Å; A401-D403 PolarHBondContact O-N 2.76Å; A401-T404 PolarHBondContact O-N 2.85Å; A401-T404 VanDerWaalsContact O-N 3.1Å; A401-T404 PolarHBondContact O-OG1 2.84Å |
| 402 | L | 77.9 | Confident | 73.3 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -31.4 | 173.9 | -82.5 | -173.9 | 0 | 0 | 0 | 113.1 | W398 V399 T404 I405 W434 A459 L463 | W398-L402 HydrophobicContact CD2-CD1 3.87Å; W398-L402 HydrophobicContact CD2-CG 4.19Å; W398-L402 HydrophobicContact CE3-CD1 3.86Å; W398-L402 HydrophobicContact CH2-CD1 3.32Å; W398-L402 HydrophobicContact CZ2-CD1 3.31Å; W398-L402 HydrophobicContact CZ2-CG 4.14Å; W398-L402 HydrophobicContact CZ3-CD1 3.58Å; W398-L402 WeakPolarHBondContact O-CG 3.48Å; W398-L402 PolarHBondContact O-N 3.11Å; V399-L402 PolarHBondContact O-N 2.81Å; L402-T404 PolarHBondContact O-N 3.05Å; L402-I405 HydrophobicContact CD2-CD1 4.42Å; L402-I405 WeakPolarHBondContact O-CG2 3.18Å; L402-I405 PolarHBondContact O-N 2.69Å; L402-W434 HydrophobicContact CD2-CD2 4.44Å; L402-W434 HydrophobicContact CD2-CE3 3.69Å; L402-W434 HydrophobicContact CD2-CZ3 4.11Å; L402-A459 HydrophobicContact CB-CB 4.15Å; L402-A459 HydrophobicContact CD1-CB 4.01Å; L402-L463 HydrophobicContact CD2-CD2 4.07Å |
| 403 | D | 74.7 | Confident | 74.5 | Confident | 92 Ų | 92 | 39.9 Ų | 39.9 | 49% | 0.492 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.6 | 177.3 | -81.7 | -20.1 | 0 | 0 | 0 | 112.6 | V399 A401 | V399-D403 PolarHBondContact O-N 2.9Å; A401-D403 PolarHBondContact O-N 2.76Å |
| 404 | T | 75.1 | Confident | 75.3 | Confident | 65 Ų | 65 | 38.1 Ų | 38.1 | 40% | 0.399 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -12 | 178.5 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | F378 A401 L402 G406 T407 | F378-T404 WeakPolarHBondContact CZ-OG1 3.44Å; A401-T404 PolarHBondContact O-N 2.85Å; A401-T404 VanDerWaalsContact O-N 3.1Å; A401-T404 PolarHBondContact O-OG1 2.84Å; L402-T404 PolarHBondContact O-N 3.05Å; T404-G406 VanDerWaalsContact C-N 3.29Å; T404-G406 PolarHBondContact O-N 2.86Å; T404-T407 PolarHBondContact O-OG1 3.49Å |
| 405 | I | 78.6 | Confident | 76.1 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68 | -29.1 | -172.3 | -153.4 | 172.3 | 0 | 0 | 0 | 113.1 | L402 T407 H408 L409 L431 W434 L463 | L402-I405 HydrophobicContact CD2-CD1 4.42Å; L402-I405 WeakPolarHBondContact O-CG2 3.18Å; L402-I405 PolarHBondContact O-N 2.69Å; I405-T407 VanDerWaalsContact C-N 3.26Å; I405-T407 PolarHBondContact O-N 3.28Å; I405-T407 VanDerWaalsContact O-N 3.17Å; I405-H408 PolarHBondContact O-N 3.04Å; I405-H408 VanDerWaalsContact O-N 3.15Å; I405-L409 HydrophobicContact CD1-CD1 4.42Å; I405-L409 HydrophobicContact CG1-CD1 4.46Å; I405-L409 WeakPolarHBondContact O-CB 3.35Å; I405-L409 PolarHBondContact O-N 3.46Å; I405-L431 HydrophobicContact CD1-CD2 4.05Å; I405-W434 HydrophobicContact CD1-CE3 4.28Å; I405-W434 HydrophobicContact CD1-CZ3 3.76Å; I405-L463 HydrophobicContact CD1-CD1 4.38Å; I405-L463 HydrophobicContact CG2-CD1 4.05Å |
| 406 | G | 71.1 | Confident | 76.7 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.8 | -26.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115 | T404 | T404-G406 VanDerWaalsContact C-N 3.29Å; T404-G406 PolarHBondContact O-N 2.86Å |
| 407 | T | 70.2 | Confident | 77.1 | Confident | 97 Ų | 97 | 33.1 Ų | 33.1 | 60% | 0.595 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -83.4 | -29.5 | 177.8 | 47.5 | 0 | 0 | 0 | 0 | 113 | T404 I405 | T404-T407 PolarHBondContact O-OG1 3.49Å; I405-T407 VanDerWaalsContact C-N 3.26Å; I405-T407 PolarHBondContact O-N 3.28Å; I405-T407 VanDerWaalsContact O-N 3.17Å |
| 408 | H | 75.9 | Confident | 77 | Confident | 62 Ų | 62 | 30 Ų | 30 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -95.3 | -28 | -174.3 | -63.3 | -59.8 | 0 | 0 | 0 | 112.7 | F378 I405 A410 E411 S412 | F378-H408 HydrophobicContact CD1-CB 4.4Å; F378-H408 AromaticContact CD1-CD2 3.97Å; I405-H408 PolarHBondContact O-N 3.04Å; I405-H408 VanDerWaalsContact O-N 3.15Å; H408-A410 PolarHBondContact O-N 3.18Å; H408-E411 PolarHBondContact O-N 3.04Å; H408-S412 VanDerWaalsContact O-CB 3.28Å; H408-S412 WeakPolarHBondContact O-CB 3.49Å; H408-S412 PolarHBondContact O-N 3.28Å; H408-S412 PolarHBondContact O-OG 3.19Å |
| 409 | L | 79.4 | Confident | 76.8 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51.9 | -48.8 | -168.2 | -174.2 | 62.7 | 0 | 0 | 0 | 115 | L379 I405 L413 L431 L466 V467 I471 | L379-L409 HydrophobicContact CD1-CD1 3.8Å; I405-L409 HydrophobicContact CD1-CD1 4.42Å; I405-L409 HydrophobicContact CG1-CD1 4.46Å; I405-L409 WeakPolarHBondContact O-CB 3.35Å; I405-L409 PolarHBondContact O-N 3.46Å; L409-L413 HydrophobicContact CD1-CD1 3.83Å; L409-L413 HydrophobicContact CD1-CG 4.36Å; L409-L413 HydrophobicContact CG-CD1 4.15Å; L409-L413 WeakPolarHBondContact O-CB 3.41Å; L409-L413 WeakPolarHBondContact O-CD1 3.34Å; L409-L413 WeakPolarHBondContact O-CG 3.47Å; L409-L413 PolarHBondContact O-N 3.07Å; L409-L431 HydrophobicContact CD1-CD1 3.82Å; L409-L431 HydrophobicContact CD1-CD2 4.15Å; L409-L466 HydrophobicContact CD2-CB 4.36Å; L409-V467 HydrophobicContact CD2-CG2 4.22Å; L409-I471 HydrophobicContact CD1-CD1 4.43Å; L409-I471 HydrophobicContact CD2-CD1 4.07Å; L409-I471 HydrophobicContact CG-CD1 4.24Å |
| 410 | A | 76.2 | Confident | 76.9 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.5 | -46.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L321 H408 A414 V470 | L321-A410 HydrophobicContact CB-CB 4.35Å; L321-A410 HydrophobicContact CD2-CB 3.63Å; L321-A410 HydrophobicContact CG-CB 3.87Å; H408-A410 PolarHBondContact O-N 3.18Å; A410-A414 WeakPolarHBondContact O-CB 3.39Å; A410-A414 PolarHBondContact O-N 3.17Å; A410-A414 VanDerWaalsContact O-N 3.1Å; A410-V470 HydrophobicContact CB-CG1 3.44Å; A410-V470 VanDerWaalsContact CB-CG1 3.44Å |
| 411 | E | 76.9 | Confident | 76.9 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.8 | -44.9 | -177.1 | -167.2 | -171.9 | -171.9 | 0 | 0 | 111.4 | D371 A372 H408 L413 A414 F415 | D371-E411 WeakPolarHBondContact CB-OE1 3.17Å; A372-E411 WeakPolarHBondContact CA-OE1 3.5Å; A372-E411 HydrophobicContact CB-CG 3.58Å; A372-E411 PolarHBondContact N-OE1 3.4Å; H408-E411 PolarHBondContact O-N 3.04Å; E411-L413 PolarHBondContact O-N 2.85Å; E411-A414 PolarHBondContact O-N 3.08Å; E411-F415 PolarHBondContact O-N 3.18Å |
| 412 | S | 79.3 | Confident | 77 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | S375 A376 H408 F415 L416 | S375-S412 VanDerWaalsContact CB-OG 3.27Å; S375-S412 WeakPolarHBondContact CB-OG 3.31Å; S375-S412 PolarHBondContact O-OG 2.96Å; S375-S412 WeakPolarHBondContact OG-CA 3.48Å; S375-S412 PolarHBondContact OG-N 2.9Å; S375-S412 PolarHBondContact OG-OG 3.38Å; A376-S412 PolarHBondContact N-OG 3.38Å; H408-S412 VanDerWaalsContact O-CB 3.28Å; H408-S412 WeakPolarHBondContact O-CB 3.49Å; H408-S412 PolarHBondContact O-N 3.28Å; H408-S412 PolarHBondContact O-OG 3.19Å; S412-F415 PolarHBondContact O-N 3.31Å; S412-L416 WeakPolarHBondContact O-CB 3.46Å; S412-L416 WeakPolarHBondContact O-CD1 3.36Å; S412-L416 VanDerWaalsContact O-CG 3.25Å; S412-L416 WeakPolarHBondContact O-CG 3.12Å; S412-L416 PolarHBondContact O-N 3.45Å |
| 413 | L | 78.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69 | -38.8 | -179.4 | -73.4 | 175 | 0 | 0 | 0 | 111.6 | F322 L409 E411 L416 Y417 Y424 I427 L431 I471 | F322-L413 HydrophobicContact CD2-CB 3.88Å; F322-L413 HydrophobicContact CE2-CB 3.82Å; L409-L413 HydrophobicContact CD1-CD1 3.83Å; L409-L413 HydrophobicContact CD1-CG 4.36Å; L409-L413 HydrophobicContact CG-CD1 4.15Å; L409-L413 WeakPolarHBondContact O-CB 3.41Å; L409-L413 WeakPolarHBondContact O-CD1 3.34Å; L409-L413 WeakPolarHBondContact O-CG 3.47Å; L409-L413 PolarHBondContact O-N 3.07Å; E411-L413 PolarHBondContact O-N 2.85Å; L413-L416 PolarHBondContact O-N 3.47Å; L413-Y417 VanDerWaalsContact O-CB 3.23Å; L413-Y417 WeakPolarHBondContact O-CB 3.09Å; L413-Y417 PolarHBondContact O-N 3.04Å; L413-Y424 HydrophobicContact CB-CD2 4.49Å; L413-Y424 HydrophobicContact CB-CE2 4.18Å; L413-Y424 HydrophobicContact CD2-CD2 4Å; L413-Y424 HydrophobicContact CD2-CE2 4.07Å; L413-I427 HydrophobicContact CD2-CG2 3.71Å; L413-L431 HydrophobicContact CD1-CD1 4.35Å; L413-I471 HydrophobicContact CD1-CD1 3.6Å; L413-I471 HydrophobicContact CD1-CG1 3.87Å; L413-I471 HydrophobicContact CD1-CG2 3.79Å |
| 414 | A | 74.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F322 H325 L329 A410 E411 Y417 C418 | F322-A414 HydrophobicContact CD2-CB 4.27Å; F322-A414 HydrophobicContact CE2-CB 4.33Å; H325-A414 HydrophobicContact CB-CB 3.51Å; L329-A414 HydrophobicContact CD1-CB 3.77Å; A410-A414 WeakPolarHBondContact O-CB 3.39Å; A410-A414 PolarHBondContact O-N 3.17Å; A410-A414 VanDerWaalsContact O-N 3.1Å; E411-A414 PolarHBondContact O-N 3.08Å; A414-Y417 WeakPolarHBondContact O-CB 3.38Å; A414-Y417 PolarHBondContact O-N 3Å; A414-C418 PolarHBondContact O-N 2.87Å; A414-C418 PolarHBondContact O-SG 3.48Å; A414-C418 VanDerWaalsContact O-SG 3.35Å |
| 415 | F | 81.5 | Confident | 77.9 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.096 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.5 | -51.7 | 173.6 | -176.8 | -89.7 | 0 | 0 | 0 | 111.9 | L329 W369 A372 A376 E411 S412 Y417 C418 T419 | L329-F415 HydrophobicContact CD1-CB 4.33Å; W369-F415 AromaticContact CD2-CE2 3.96Å; W369-F415 HydrophobicContact CD2-CE2 3.96Å; W369-F415 AromaticContact CE2-CE2 3.45Å; W369-F415 VanDerWaalsContact CE2-CE2 3.45Å; W369-F415 HydrophobicContact CE3-CE2 4.32Å; W369-F415 AromaticContact CH2-CE2 3.79Å; W369-F415 HydrophobicContact CH2-CE2 3.79Å; W369-F415 AromaticContact CH2-CZ 3.9Å; W369-F415 HydrophobicContact CH2-CZ 3.9Å; W369-F415 HydrophobicContact CZ2-CD2 4.48Å; W369-F415 AromaticContact CZ2-CE2 3.38Å; W369-F415 HydrophobicContact CZ2-CE2 3.38Å; W369-F415 AromaticContact CZ2-CZ 3.76Å; W369-F415 HydrophobicContact CZ2-CZ 3.76Å; W369-F415 HydrophobicContact CZ3-CE2 4.24Å; W369-F415 AromaticContact NE1-CE2 3.82Å; A372-F415 HydrophobicContact CB-CB 4.22Å; A372-F415 HydrophobicContact CB-CD2 4.11Å; A376-F415 HydrophobicContact CB-CB 4.14Å; A376-F415 HydrophobicContact CB-CD1 3.49Å; A376-F415 VanDerWaalsContact CB-CD1 3.49Å; A376-F415 HydrophobicContact CB-CE1 4.16Å; A376-F415 HydrophobicContact CB-CG 4.03Å; E411-F415 PolarHBondContact O-N 3.18Å; S412-F415 PolarHBondContact O-N 3.31Å; F415-Y417 VanDerWaalsContact C-N 3.3Å; F415-Y417 PolarHBondContact O-N 3.24Å; F415-C418 PolarHBondContact O-N 2.84Å; F415-C418 VanDerWaalsContact O-N 3.12Å; F415-T419 HydrophobicContact CD1-CG2 4.12Å; F415-T419 HydrophobicContact CD2-CG2 4.49Å; F415-T419 HydrophobicContact CE1-CG2 3.8Å; F415-T419 HydrophobicContact CE2-CG2 4.21Å; F415-T419 HydrophobicContact CG-CG2 4.46Å; F415-T419 HydrophobicContact CZ-CG2 3.86Å; F415-T419 WeakPolarHBondContact O-CG2 3.41Å; F415-T419 PolarHBondContact O-N 3.13Å; F415-T419 PolarHBondContact O-OG1 2.8Å; F415-T419 VanDerWaalsContact O-OG1 3.05Å |
| 416 | L | 80.8 | Confident | 78 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -35.9 | 179.5 | -69.5 | 166.4 | 0 | 0 | 0 | 112.5 | A376 V380 S412 L413 C418 T419 D420 L423 Y424 I427 | A376-L416 HydrophobicContact CB-CG 4.22Å; V380-L416 HydrophobicContact CG2-CD1 4.35Å; V380-L416 HydrophobicContact CG2-CD2 4.08Å; S412-L416 WeakPolarHBondContact O-CB 3.46Å; S412-L416 WeakPolarHBondContact O-CD1 3.36Å; S412-L416 VanDerWaalsContact O-CG 3.25Å; S412-L416 WeakPolarHBondContact O-CG 3.12Å; S412-L416 PolarHBondContact O-N 3.45Å; L413-L416 PolarHBondContact O-N 3.47Å; L416-C418 VanDerWaalsContact C-N 3.33Å; L416-C418 PolarHBondContact O-N 3.34Å; L416-T419 PolarHBondContact O-N 3.14Å; L416-D420 CarbonylContact O-C 3.51Å; L416-D420 WeakPolarHBondContact O-CA 3.44Å; L416-D420 PolarHBondContact O-N 2.82Å; L416-L423 HydrophobicContact CD2-CB 4.16Å; L416-L423 HydrophobicContact CD2-CD1 4.5Å; L416-Y424 HydrophobicContact CB-CD2 4.45Å; L416-I427 HydrophobicContact CD1-CD1 3.29Å |
| 417 | Y | 78.4 | Confident | 78.5 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 174.9 | -176.3 | -93 | 0 | 0 | 0 | 111.8 | F322 L413 A414 F415 R421 Y424 | F322-Y417 AromaticContact CZ-CD2 3.99Å; F322-Y417 HydrophobicContact CZ-CD2 3.99Å; F322-Y417 HydrophobicContact CZ-CG 4.03Å; L413-Y417 VanDerWaalsContact O-CB 3.23Å; L413-Y417 WeakPolarHBondContact O-CB 3.09Å; L413-Y417 PolarHBondContact O-N 3.04Å; A414-Y417 WeakPolarHBondContact O-CB 3.38Å; A414-Y417 PolarHBondContact O-N 3Å; F415-Y417 VanDerWaalsContact C-N 3.3Å; F415-Y417 PolarHBondContact O-N 3.24Å; Y417-R421 VanDerWaalsContact CE1-CZ 3.48Å; Y417-R421 WeakPolarHBondContact O-CD 3.41Å; Y417-R421 PolarHBondContact O-NE 3.2Å; Y417-R421 PolarHBondContact OH-NH1 3.21Å; Y417-R421 PolarHBondContact OH-NH2 3.45Å; Y417-Y424 HydrophobicContact CD2-CD1 4.32Å; Y417-Y424 HydrophobicContact CD2-CD2 4.46Å; Y417-Y424 AromaticContact CD2-CE1 3.93Å; Y417-Y424 HydrophobicContact CD2-CE1 3.93Å; Y417-Y424 HydrophobicContact CD2-CE2 4.1Å; Y417-Y424 AromaticContact CD2-CZ 3.82Å |
| 418 | C | 73.2 | Confident | 78.9 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 41% | 0.405 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -76.2 | -32.1 | 176.6 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | A414 F415 L416 | A414-C418 PolarHBondContact O-N 2.87Å; A414-C418 PolarHBondContact O-SG 3.48Å; A414-C418 VanDerWaalsContact O-SG 3.35Å; F415-C418 PolarHBondContact O-N 2.84Å; F415-C418 VanDerWaalsContact O-N 3.12Å; L416-C418 VanDerWaalsContact C-N 3.33Å; L416-C418 PolarHBondContact O-N 3.34Å |
| 419 | T | 77.8 | Confident | 79.1 | Confident | 78 Ų | 78 | 43.4 Ų | 43.4 | 48% | 0.479 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -98.3 | -49.6 | -174.7 | 61.8 | 0 | 0 | 0 | 0 | 114.7 | F415 L416 | F415-T419 HydrophobicContact CD1-CG2 4.12Å; F415-T419 HydrophobicContact CD2-CG2 4.49Å; F415-T419 HydrophobicContact CE1-CG2 3.8Å; F415-T419 HydrophobicContact CE2-CG2 4.21Å; F415-T419 HydrophobicContact CG-CG2 4.46Å; F415-T419 HydrophobicContact CZ-CG2 3.86Å; F415-T419 WeakPolarHBondContact O-CG2 3.41Å; F415-T419 PolarHBondContact O-N 3.13Å; F415-T419 PolarHBondContact O-OG1 2.8Å; F415-T419 VanDerWaalsContact O-OG1 3.05Å; L416-T419 PolarHBondContact O-N 3.14Å |
| 420 | D | 79.4 | Confident | 79.3 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | trans | -146 | 96.9 | -171.7 | -169.7 | -18.2 | 0 | 0 | 0 | 112.3 | L416 N422 L423 Y424 | L416-D420 CarbonylContact O-C 3.51Å; L416-D420 WeakPolarHBondContact O-CA 3.44Å; L416-D420 PolarHBondContact O-N 2.82Å; D420-N422 PolarHBondContact O-N 2.97Å; D420-N422 WeakPolarHBondContact OD1-CB 3.42Å; D420-N422 PolarHBondContact OD1-N 3.03Å; D420-L423 HydrophobicContact CB-CB 4.21Å; D420-L423 HydrophobicContact CB-CD1 4.15Å; D420-L423 HydrophobicContact CB-CG 4.34Å; D420-L423 PolarHBondContact O-N 3.47Å; D420-L423 PolarHBondContact OD1-N 2.77Å; D420-L423 VanDerWaalsContact OD2-CD1 3.27Å; D420-L423 WeakPolarHBondContact OD2-CD1 3.41Å; D420-L423 VanDerWaalsContact OD2-CG 3.31Å; D420-L423 WeakPolarHBondContact OD2-CG 3.39Å; D420-Y424 PolarHBondContact O-N 3.29Å | ||
| 421 | R | 79.6 | Confident | 79.6 | Confident | 131 Ų | 131 | 43.7 Ų | 43.7 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.3 | -26.7 | 179.6 | -67.2 | -63.7 | -175.3 | 117.4 | 4.6 | 114.1 | Y417 Q425 | Y417-R421 VanDerWaalsContact CE1-CZ 3.48Å; Y417-R421 WeakPolarHBondContact O-CD 3.41Å; Y417-R421 PolarHBondContact O-NE 3.2Å; Y417-R421 PolarHBondContact OH-NH1 3.21Å; Y417-R421 PolarHBondContact OH-NH2 3.45Å; R421-Q425 PolarHBondContact O-N 3.17Å |
| 422 | N | 79.5 | Confident | 79.7 | Confident | 135 Ų | 135 | 44.5 Ų | 44.5 | 72% | 0.722 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -75.4 | -44.2 | -179.6 | -63.4 | -37.6 | 0 | 0 | 0 | 110.7 | D420 Y424 Q425 S426 | D420-N422 PolarHBondContact O-N 2.97Å; D420-N422 WeakPolarHBondContact OD1-CB 3.42Å; D420-N422 PolarHBondContact OD1-N 3.03Å; N422-Y424 VanDerWaalsContact C-N 3.32Å; N422-Q425 PolarHBondContact O-N 2.85Å; N422-S426 PolarHBondContact O-N 3.19Å |
| 423 | L | 81.1 | Confident | 79.9 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 34% | 0.335 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -42.1 | 174.1 | -73.2 | 178 | 0 | 0 | 0 | 111.1 | L416 D420 Q425 S426 I427 | L416-L423 HydrophobicContact CD2-CB 4.16Å; L416-L423 HydrophobicContact CD2-CD1 4.5Å; D420-L423 HydrophobicContact CB-CB 4.21Å; D420-L423 HydrophobicContact CB-CD1 4.15Å; D420-L423 HydrophobicContact CB-CG 4.34Å; D420-L423 PolarHBondContact O-N 3.47Å; D420-L423 PolarHBondContact OD1-N 2.77Å; D420-L423 VanDerWaalsContact OD2-CD1 3.27Å; D420-L423 WeakPolarHBondContact OD2-CD1 3.41Å; D420-L423 VanDerWaalsContact OD2-CG 3.31Å; D420-L423 WeakPolarHBondContact OD2-CG 3.39Å; L423-Q425 PolarHBondContact O-N 3.27Å; L423-S426 PolarHBondContact O-N 3.27Å; L423-S426 PolarHBondContact O-OG 2.9Å; L423-I427 WeakPolarHBondContact O-CB 3.29Å; L423-I427 WeakPolarHBondContact O-CG1 3.3Å; L423-I427 PolarHBondContact O-N 3.38Å |
| 424 | Y | 83.1 | Confident | 80.2 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -52.4 | -51.9 | 172 | 175 | -98.2 | 0 | 0 | 0 | 111.6 | F322 L413 L416 Y417 D420 N422 S426 I427 I428 | F322-Y424 AromaticContact CE2-CE2 3.99Å; F322-Y424 HydrophobicContact CE2-CE2 3.99Å; F322-Y424 HydrophobicContact CZ-CE2 4.05Å; L413-Y424 HydrophobicContact CB-CD2 4.49Å; L413-Y424 HydrophobicContact CB-CE2 4.18Å; L413-Y424 HydrophobicContact CD2-CD2 4Å; L413-Y424 HydrophobicContact CD2-CE2 4.07Å; L416-Y424 HydrophobicContact CB-CD2 4.45Å; Y417-Y424 HydrophobicContact CD2-CD1 4.32Å; Y417-Y424 HydrophobicContact CD2-CD2 4.46Å; Y417-Y424 AromaticContact CD2-CE1 3.93Å; Y417-Y424 HydrophobicContact CD2-CE1 3.93Å; Y417-Y424 HydrophobicContact CD2-CE2 4.1Å; Y417-Y424 AromaticContact CD2-CZ 3.82Å; D420-Y424 PolarHBondContact O-N 3.29Å; N422-Y424 VanDerWaalsContact C-N 3.32Å; Y424-S426 PolarHBondContact O-N 3.44Å; Y424-I427 PolarHBondContact O-N 2.85Å; Y424-I428 HydrophobicContact CD1-CD1 3.68Å; Y424-I428 HydrophobicContact CE1-CD1 3.18Å; Y424-I428 HydrophobicContact CE1-CG1 4.34Å; Y424-I428 HydrophobicContact CE2-CD1 4.12Å; Y424-I428 HydrophobicContact CG-CD1 4.34Å; Y424-I428 VanDerWaalsContact CZ-CD1 3.42Å; Y424-I428 WeakPolarHBondContact O-CG1 3.42Å; Y424-I428 PolarHBondContact O-N 3.45Å |
| 425 | Q | 81.4 | Confident | 80.7 | Confident | 88 Ų | 88 | 48.6 Ų | 48.6 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 179.3 | -169.4 | 63.2 | 22.2 | 0 | 0 | 112.9 | R421 N422 L423 I427 I428 E429 | R421-Q425 PolarHBondContact O-N 3.17Å; N422-Q425 PolarHBondContact O-N 2.85Å; L423-Q425 PolarHBondContact O-N 3.27Å; Q425-I427 VanDerWaalsContact C-N 3.28Å; Q425-I427 PolarHBondContact O-N 2.9Å; Q425-I428 WeakPolarHBondContact O-CB 3.44Å; Q425-I428 PolarHBondContact O-N 3.17Å; Q425-E429 PolarHBondContact O-N 2.73Å; Q425-E429 VanDerWaalsContact O-N 3.15Å |
| 426 | S | 80.5 | Confident | 80.8 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.7 | -36.1 | 178.4 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | N422 L423 Y424 T430 | N422-S426 PolarHBondContact O-N 3.19Å; L423-S426 PolarHBondContact O-N 3.27Å; L423-S426 PolarHBondContact O-OG 2.9Å; Y424-S426 PolarHBondContact O-N 3.44Å; S426-T430 PolarHBondContact O-N 2.86Å; S426-T430 VanDerWaalsContact O-N 3.15Å; S426-T430 PolarHBondContact O-OG1 3.26Å |
| 427 | I | 81.3 | Confident | 80.9 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.6 | -37.5 | 176.8 | -79.7 | 163.3 | 0 | 0 | 0 | 110.8 | L379 V380 A383 L413 L416 L423 Y424 Q425 T430 L431 | L379-I427 HydrophobicContact CD2-CB 4.19Å; L379-I427 HydrophobicContact CD2-CD1 3.62Å; L379-I427 HydrophobicContact CD2-CG1 3.85Å; L379-I427 HydrophobicContact CD2-CG2 3.3Å; V380-I427 HydrophobicContact CG2-CD1 3.78Å; A383-I427 HydrophobicContact CB-CG1 4.19Å; L413-I427 HydrophobicContact CD2-CG2 3.71Å; L416-I427 HydrophobicContact CD1-CD1 3.29Å; L423-I427 WeakPolarHBondContact O-CB 3.29Å; L423-I427 WeakPolarHBondContact O-CG1 3.3Å; L423-I427 PolarHBondContact O-N 3.38Å; Y424-I427 PolarHBondContact O-N 2.85Å; Q425-I427 VanDerWaalsContact C-N 3.28Å; Q425-I427 PolarHBondContact O-N 2.9Å; I427-T430 WeakPolarHBondContact O-CB 3.47Å; I427-T430 PolarHBondContact O-N 3.42Å; I427-L431 HydrophobicContact CG2-CD1 3.98Å; I427-L431 HydrophobicContact CG2-CG 4.35Å; I427-L431 WeakPolarHBondContact O-CG 3.38Å; I427-L431 PolarHBondContact O-N 3.37Å |
| 428 | I | 79.4 | Confident | 81 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | 175.3 | -69.9 | 177.1 | 0 | 0 | 0 | 111 | Y424 Q425 T430 L431 Q432 I475 | Y424-I428 HydrophobicContact CD1-CD1 3.68Å; Y424-I428 HydrophobicContact CE1-CD1 3.18Å; Y424-I428 HydrophobicContact CE1-CG1 4.34Å; Y424-I428 HydrophobicContact CE2-CD1 4.12Å; Y424-I428 HydrophobicContact CG-CD1 4.34Å; Y424-I428 VanDerWaalsContact CZ-CD1 3.42Å; Y424-I428 WeakPolarHBondContact O-CG1 3.42Å; Y424-I428 PolarHBondContact O-N 3.45Å; Q425-I428 WeakPolarHBondContact O-CB 3.44Å; Q425-I428 PolarHBondContact O-N 3.17Å; I428-T430 PolarHBondContact O-N 3.08Å; I428-L431 PolarHBondContact O-N 3.08Å; I428-Q432 WeakPolarHBondContact O-CG 3.37Å; I428-Q432 PolarHBondContact O-N 3.41Å; I428-I475 HydrophobicContact CB-CD1 4.26Å; I428-I475 HydrophobicContact CD1-CD1 3.74Å; I428-I475 HydrophobicContact CD1-CG1 3.94Å; I428-I475 HydrophobicContact CG1-CD1 3.54Å; I428-I475 HydrophobicContact CG1-CG1 4.13Å; I428-I475 HydrophobicContact CG2-CD1 3.91Å; I428-I475 HydrophobicContact CG2-CG1 3.79Å; I428-I475 HydrophobicContact CG2-CG2 4.43Å |
| 429 | E | 80 | Confident | 81.5 | Confident | 115 Ų | 115 | 44.8 Ų | 44.8 | 54% | 0.537 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 177.7 | -68.6 | 173.5 | -174.5 | 0 | 0 | 111.1 | Q425 Q432 L433 | Q425-E429 PolarHBondContact O-N 2.73Å; Q425-E429 VanDerWaalsContact O-N 3.15Å; E429-Q432 PolarHBondContact O-N 2.73Å; E429-L433 PolarHBondContact O-N 3.43Å; E429-L433 VanDerWaalsContact O-N 3.12Å |
| 430 | T | 82.7 | Confident | 81.7 | Confident | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.4 | -52.4 | 0 | 0 | 0 | 0 | 112 | A383 C387 S426 I427 I428 L433 W434 | A383-T430 HydrophobicContact CB-CG2 4.37Å; C387-T430 PolarHBondContact SG-OG1 3.24Å; S426-T430 PolarHBondContact O-N 2.86Å; S426-T430 VanDerWaalsContact O-N 3.15Å; S426-T430 PolarHBondContact O-OG1 3.26Å; I427-T430 WeakPolarHBondContact O-CB 3.47Å; I427-T430 PolarHBondContact O-N 3.42Å; I428-T430 PolarHBondContact O-N 3.08Å; T430-L433 WeakPolarHBondContact O-CB 3.33Å; T430-L433 PolarHBondContact O-N 3.18Å; T430-W434 HydrophobicContact CG2-CD2 4.3Å; T430-W434 HydrophobicContact CG2-CH2 4.47Å; T430-W434 HydrophobicContact CG2-CZ2 3.72Å; T430-W434 PolarHBondContact O-N 3.3Å |
| 431 | L | 83.1 | Confident | 81.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 177.8 | -72.6 | 169.8 | 0 | 0 | 0 | 111.9 | I405 L409 L413 I427 I428 L433 W434 V435 L463 I471 | I405-L431 HydrophobicContact CD1-CD2 4.05Å; L409-L431 HydrophobicContact CD1-CD1 3.82Å; L409-L431 HydrophobicContact CD1-CD2 4.15Å; L413-L431 HydrophobicContact CD1-CD1 4.35Å; I427-L431 HydrophobicContact CG2-CD1 3.98Å; I427-L431 HydrophobicContact CG2-CG 4.35Å; I427-L431 WeakPolarHBondContact O-CG 3.38Å; I427-L431 PolarHBondContact O-N 3.37Å; I428-L431 PolarHBondContact O-N 3.08Å; L431-L433 VanDerWaalsContact C-N 3.35Å; L431-W434 HydrophobicContact CD2-CE3 4.01Å; L431-W434 HydrophobicContact CD2-CZ3 4.3Å; L431-W434 PolarHBondContact O-N 3.01Å; L431-V435 WeakPolarHBondContact O-CG2 3.32Å; L431-V435 PolarHBondContact O-N 3.26Å; L431-L463 HydrophobicContact CD2-CD1 4.28Å; L431-I471 HydrophobicContact CD1-CD1 4.44Å |
| 432 | Q | 79.7 | Confident | 81.7 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 174.2 | -69 | 174.7 | 13.8 | 0 | 0 | 110.9 | I428 E429 W434 V435 Y436 L479 | I428-Q432 WeakPolarHBondContact O-CG 3.37Å; I428-Q432 PolarHBondContact O-N 3.41Å; E429-Q432 PolarHBondContact O-N 2.73Å; Q432-W434 VanDerWaalsContact C-N 3.33Å; Q432-W434 PolarHBondContact O-N 3.26Å; Q432-V435 PolarHBondContact O-N 3.22Å; Q432-Y436 WeakPolarHBondContact O-CD2 3.23Å; Q432-Y436 PolarHBondContact O-N 3.16Å; Q432-Y436 VanDerWaalsContact O-N 3.16Å; Q432-L479 HydrophobicContact CB-CD2 4.43Å; Q432-L479 HydrophobicContact CG-CD2 4.22Å |
| 433 | L | 82.7 | Confident | 81.7 | Confident | 83 Ų | 83 | 36.2 Ų | 36.2 | 44% | 0.435 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 175.1 | -177.5 | 67.7 | 0 | 0 | 0 | 112.1 | E429 T430 L431 V435 Y436 T437 | E429-L433 PolarHBondContact O-N 3.43Å; E429-L433 VanDerWaalsContact O-N 3.12Å; T430-L433 WeakPolarHBondContact O-CB 3.33Å; T430-L433 PolarHBondContact O-N 3.18Å; L431-L433 VanDerWaalsContact C-N 3.35Å; L433-V435 VanDerWaalsContact C-N 3.34Å; L433-V435 PolarHBondContact O-N 2.83Å; L433-Y436 PolarHBondContact O-N 3.42Å; L433-T437 HydrophobicContact CD1-CG2 4.32Å; L433-T437 HydrophobicContact CG-CG2 4.41Å; L433-T437 WeakPolarHBondContact O-CB 3.22Å; L433-T437 VanDerWaalsContact O-CG2 3.3Å; L433-T437 WeakPolarHBondContact O-CG2 3.47Å; L433-T437 PolarHBondContact O-N 3.41Å; L433-T437 PolarHBondContact O-OG1 3.37Å |
| 434 | W | 85.5 | Confident | 81.6 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -34.7 | 178.2 | -70.9 | 1.3 | 0 | 0 | 0 | 113.3 | M382 Y386 W398 L402 I405 T430 L431 Q432 T437 G438 L463 | M382-W434 HydrophobicContact CB-CH2 4.35Å; M382-W434 HydrophobicContact CE-CH2 4.34Å; Y386-W434 HydrophobicContact CD2-CZ2 4.44Å; W398-W434 HydrophobicContact CZ2-CB 4.08Å; W398-W434 HydrophobicContact CZ2-CG 4.1Å; W398-W434 AromaticContact NE1-CD1 3.94Å; W398-W434 AromaticContact NE1-CD2 3.87Å; W398-W434 AromaticContact NE1-CE2 3.81Å; W398-W434 AromaticContact NE1-CG 3.99Å; W398-W434 AromaticContact NE1-NE1 3.82Å; L402-W434 HydrophobicContact CD2-CD2 4.44Å; L402-W434 HydrophobicContact CD2-CE3 3.69Å; L402-W434 HydrophobicContact CD2-CZ3 4.11Å; I405-W434 HydrophobicContact CD1-CE3 4.28Å; I405-W434 HydrophobicContact CD1-CZ3 3.76Å; T430-W434 HydrophobicContact CG2-CD2 4.3Å; T430-W434 HydrophobicContact CG2-CH2 4.47Å; T430-W434 HydrophobicContact CG2-CZ2 3.72Å; T430-W434 PolarHBondContact O-N 3.3Å; L431-W434 HydrophobicContact CD2-CE3 4.01Å; L431-W434 HydrophobicContact CD2-CZ3 4.3Å; L431-W434 PolarHBondContact O-N 3.01Å; Q432-W434 VanDerWaalsContact C-N 3.33Å; Q432-W434 PolarHBondContact O-N 3.26Å; W434-T437 VanDerWaalsContact CA-OG1 3.26Å; W434-T437 WeakPolarHBondContact CA-OG1 3.4Å; W434-T437 PolarHBondContact O-OG1 2.89Å; W434-T437 VanDerWaalsContact O-OG1 3.05Å; W434-G438 PolarHBondContact O-N 3.25Å; W434-L463 HydrophobicContact CB-CD2 3.55Å |
| 435 | V | 84.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -50.1 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L431 Q432 L433 T437 G438 L439 L463 A464 V467 L479 V501 | L431-V435 WeakPolarHBondContact O-CG2 3.32Å; L431-V435 PolarHBondContact O-N 3.26Å; Q432-V435 PolarHBondContact O-N 3.22Å; L433-V435 VanDerWaalsContact C-N 3.34Å; L433-V435 PolarHBondContact O-N 2.83Å; V435-T437 PolarHBondContact O-N 3.18Å; V435-G438 PolarHBondContact O-N 3.22Å; V435-L439 HydrophobicContact CG1-CD1 3.84Å; V435-L439 WeakPolarHBondContact O-CB 3.18Å; V435-L439 VanDerWaalsContact O-CG 3.31Å; V435-L439 WeakPolarHBondContact O-CG 3.28Å; V435-L439 PolarHBondContact O-N 2.88Å; V435-L463 HydrophobicContact CG2-CD2 3.97Å; V435-L463 HydrophobicContact CG2-CG 3.92Å; V435-A464 HydrophobicContact CG1-CB 3.85Å; V435-V467 HydrophobicContact CG2-CG2 4.39Å; V435-L479 HydrophobicContact CG1-CD1 4.5Å; V435-L479 HydrophobicContact CG1-CD2 4.37Å; V435-L479 HydrophobicContact CG2-CD1 4.41Å; V435-V501 HydrophobicContact CG1-CG2 4.12Å |
| 436 | Y | 83.7 | Confident | 81.3 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 15% | 0.145 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.1 | -37.9 | -179.8 | -72.3 | -64.6 | 0 | 0 | 0 | 112.9 | Q432 L433 N440 L479 L504 | Q432-Y436 WeakPolarHBondContact O-CD2 3.23Å; Q432-Y436 PolarHBondContact O-N 3.16Å; Q432-Y436 VanDerWaalsContact O-N 3.16Å; L433-Y436 PolarHBondContact O-N 3.42Å; Y436-N440 PolarHBondContact O-N 2.87Å; Y436-L479 HydrophobicContact CE2-CD2 3.89Å; Y436-L504 HydrophobicContact CD1-CD1 3.81Å; Y436-L504 HydrophobicContact CE1-CD1 3.78Å |
| 437 | T | 82 | Confident | 81.1 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -44.1 | 175.8 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | F394 L433 W434 V435 L439 N440 L443 H456 | F394-T437 HydrophobicContact CE2-CG2 4.35Å; L433-T437 HydrophobicContact CD1-CG2 4.32Å; L433-T437 HydrophobicContact CG-CG2 4.41Å; L433-T437 WeakPolarHBondContact O-CB 3.22Å; L433-T437 VanDerWaalsContact O-CG2 3.3Å; L433-T437 WeakPolarHBondContact O-CG2 3.47Å; L433-T437 PolarHBondContact O-N 3.41Å; L433-T437 PolarHBondContact O-OG1 3.37Å; W434-T437 VanDerWaalsContact CA-OG1 3.26Å; W434-T437 WeakPolarHBondContact CA-OG1 3.4Å; W434-T437 PolarHBondContact O-OG1 2.89Å; W434-T437 VanDerWaalsContact O-OG1 3.05Å; V435-T437 PolarHBondContact O-N 3.18Å; T437-L439 PolarHBondContact O-N 2.8Å; T437-N440 PolarHBondContact O-N 3.17Å; T437-L443 HydrophobicContact CG2-CD1 4.26Å; T437-H456 PolarHBondContact O-NE2 3.13Å |
| 438 | G | 82.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.4 | -29.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | W434 V435 N440 | W434-G438 PolarHBondContact O-N 3.25Å; V435-G438 PolarHBondContact O-N 3.22Å; G438-N440 VanDerWaalsContact C-N 3.32Å |
| 439 | L | 82.7 | Confident | 80.6 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -81.5 | -9.9 | 176.7 | -68.3 | 175.6 | 0 | 0 | 0 | 113.5 | V435 T437 M441 V461 A464 V501 L504 L505 L508 | V435-L439 HydrophobicContact CG1-CD1 3.84Å; V435-L439 WeakPolarHBondContact O-CB 3.18Å; V435-L439 VanDerWaalsContact O-CG 3.31Å; V435-L439 WeakPolarHBondContact O-CG 3.28Å; V435-L439 PolarHBondContact O-N 2.88Å; T437-L439 PolarHBondContact O-N 2.8Å; L439-M441 PolarHBondContact O-N 3.32Å; L439-V461 HydrophobicContact CD2-CG2 3.86Å; L439-A464 HydrophobicContact CD1-CB 4.24Å; L439-V501 HydrophobicContact CD1-CG1 4.17Å; L439-L504 HydrophobicContact CD1-CB 4.15Å; L439-L504 HydrophobicContact CD1-CD1 4.26Å; L439-L505 HydrophobicContact CD2-CD2 3.7Å; L439-L508 HydrophobicContact CD2-CD1 3.84Å |
| 440 | N | 81 | Confident | 80.5 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | trans | -81.4 | 106 | -178 | -168.5 | -24.5 | 0 | 0 | 0 | 111.8 | Y436 T437 G438 N442 L443 A444 | Y436-N440 PolarHBondContact O-N 2.87Å; T437-N440 PolarHBondContact O-N 3.17Å; G438-N440 VanDerWaalsContact C-N 3.32Å; N440-N442 PolarHBondContact O-N 3.12Å; N440-N442 VanDerWaalsContact O-N 3.12Å; N440-N442 WeakPolarHBondContact OD1-CB 3.34Å; N440-N442 PolarHBondContact OD1-N 3.42Å; N440-L443 HydrophobicContact CB-CB 4.32Å; N440-L443 HydrophobicContact CB-CD1 4.1Å; N440-L443 HydrophobicContact CB-CG 4.19Å; N440-L443 PolarHBondContact O-N 2.99Å; N440-L443 VanDerWaalsContact O-N 3.13Å; N440-A444 PolarHBondContact O-N 2.78Å; N440-A444 VanDerWaalsContact O-N 3.09Å | ||
| 441 | M | 79 | Confident | 80.4 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.3 | -32.3 | 176.5 | -74.7 | -65 | -63.3 | 0 | 0 | 113.6 | L439 A444 L445 I457 L508 L513 | L439-M441 PolarHBondContact O-N 3.32Å; M441-A444 PolarHBondContact O-N 3.24Å; M441-L445 WeakPolarHBondContact O-CB 3.45Å; M441-L445 VanDerWaalsContact O-CG 3.23Å; M441-L445 WeakPolarHBondContact O-CG 3.2Å; M441-L445 PolarHBondContact O-N 2.85Å; M441-I457 HydrophobicContact CE-CD1 3.96Å; M441-I457 HydrophobicContact SD-CD1 3.36Å; M441-I457 WeakPolarHBondContact SD-CD1 3.46Å; M441-I457 HydrophobicContact SD-CG1 4.07Å; M441-L508 HydrophobicContact CG-CD2 3.45Å; M441-L508 VanDerWaalsContact CG-CD2 3.45Å; M441-L508 HydrophobicContact SD-CD2 3.51Å; M441-L508 VanDerWaalsContact SD-CD2 3.51Å; M441-L513 HydrophobicContact CE-CD1 4.34Å |
| 442 | N | 80.6 | Confident | 80.3 | Confident | 118 Ų | 118 | 47.6 Ų | 47.6 | 63% | 0.631 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -71.3 | -36.2 | -177.8 | -61.1 | -30 | 0 | 0 | 0 | 111.8 | N440 S446 | N440-N442 PolarHBondContact O-N 3.12Å; N440-N442 VanDerWaalsContact O-N 3.12Å; N440-N442 WeakPolarHBondContact OD1-CB 3.34Å; N440-N442 PolarHBondContact OD1-N 3.42Å; N442-S446 PolarHBondContact O-N 3.26Å |
| 443 | L | 79.1 | Confident | 80.3 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.5 | -31.7 | 174.8 | -65.1 | 178.6 | 0 | 0 | 0 | 111.9 | T437 N440 S446 | T437-L443 HydrophobicContact CG2-CD1 4.26Å; N440-L443 HydrophobicContact CB-CB 4.32Å; N440-L443 HydrophobicContact CB-CD1 4.1Å; N440-L443 HydrophobicContact CB-CG 4.19Å; N440-L443 PolarHBondContact O-N 2.99Å; N440-L443 VanDerWaalsContact O-N 3.13Å; L443-S446 PolarHBondContact O-N 3.47Å; L443-S446 PolarHBondContact O-OG 2.9Å |
| 444 | A | 80.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N440 M441 S446 Q447 I453 H456 I457 | N440-A444 PolarHBondContact O-N 2.78Å; N440-A444 VanDerWaalsContact O-N 3.09Å; M441-A444 PolarHBondContact O-N 3.24Å; A444-S446 PolarHBondContact O-N 2.87Å; A444-Q447 WeakPolarHBondContact O-CB 3.42Å; A444-Q447 VanDerWaalsContact O-CG 3.27Å; A444-Q447 WeakPolarHBondContact O-CG 3.36Å; A444-Q447 PolarHBondContact O-N 2.91Å; A444-I453 HydrophobicContact CB-CG2 4.3Å; A444-I453 WeakPolarHBondContact O-CG1 3.29Å; A444-H456 HydrophobicContact CB-CB 4.43Å; A444-I457 HydrophobicContact CB-CD1 3.89Å; A444-I457 HydrophobicContact CB-CG1 3.54Å |
| 445 | L | 78.2 | Confident | 80.1 | Confident | 100 Ų | 100 | 49.9 Ų | 49.9 | 52% | 0.524 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.3 | -16.5 | 179.6 | -72.3 | 171.8 | 0 | 0 | 0 | 113.9 | M441 Q447 I453 | M441-L445 WeakPolarHBondContact O-CB 3.45Å; M441-L445 VanDerWaalsContact O-CG 3.23Å; M441-L445 WeakPolarHBondContact O-CG 3.2Å; M441-L445 PolarHBondContact O-N 2.85Å; L445-Q447 VanDerWaalsContact C-N 3.31Å; L445-I453 HydrophobicContact CD2-CG2 4.24Å |
| 446 | S | 78.7 | Confident | 80.2 | Confident | 83 Ų | 83 | 50 Ų | 50 | 58% | 0.58 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.4 | 175.2 | 68.4 | 0 | 0 | 0 | 0 | 113.8 | N442 L443 A444 | N442-S446 PolarHBondContact O-N 3.26Å; L443-S446 PolarHBondContact O-N 3.47Å; L443-S446 PolarHBondContact O-OG 2.9Å; A444-S446 PolarHBondContact O-N 2.87Å |
| 447 | Q | 78.2 | Confident | 80.3 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | trans | -63.5 | 136.1 | 176.3 | -66.2 | -63.7 | -27.6 | 0 | 0 | 111.1 | F394 A444 L445 N449 I453 H456 | F394-Q447 PolarHBondContact O-NE2 3.31Å; A444-Q447 WeakPolarHBondContact O-CB 3.42Å; A444-Q447 VanDerWaalsContact O-CG 3.27Å; A444-Q447 WeakPolarHBondContact O-CG 3.36Å; A444-Q447 PolarHBondContact O-N 2.91Å; L445-Q447 VanDerWaalsContact C-N 3.31Å; Q447-N449 VanDerWaalsContact C-N 3.26Å; Q447-N449 PolarHBondContact O-N 3.27Å; Q447-I453 HydrophobicContact CB-CG1 4.1Å; Q447-H456 HydrophobicContact CG-CB 4.45Å; Q447-H456 PolarHBondContact NE2-ND1 2.74Å | ||
| 448 | P | 72.5 | Confident | 80.4 | Confident | 101 Ų | 101 | 49.5 Ų | 49.5 | 66% | 0.656 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -66.5 | -30.1 | -175.4 | 26.7 | -34.4 | 0 | 0 | 0 | 112.5 | ||
| 449 | N | 77.8 | Confident | 80.4 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -109.7 | 124.9 | -177.1 | -173.7 | -11.8 | 0 | 0 | 0 | 110.5 | E396 Q447 S451 Y452 I453 | E396-N449 WeakPolarHBondContact OE1-CB 3.41Å; E396-N449 PolarHBondContact OE1-ND2 3.25Å; Q447-N449 VanDerWaalsContact C-N 3.26Å; Q447-N449 PolarHBondContact O-N 3.27Å; N449-S451 PolarHBondContact O-N 2.84Å; N449-S451 VanDerWaalsContact O-N 3.13Å; N449-S451 PolarHBondContact OD1-N 3.01Å; N449-S451 PolarHBondContact OD1-OG 3.36Å; N449-Y452 HydrophobicContact CB-CD2 3.89Å; N449-Y452 PolarHBondContact O-N 3.49Å; N449-I453 PolarHBondContact O-N 3.22Å |
| 450 | T | 77.1 | Confident | 80.5 | Confident | 112 Ų | 112 | 49 Ų | 49 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -57.2 | -31.4 | -178 | -47.8 | 0 | 0 | 0 | 0 | 112.8 | Y452 I453 | T450-Y452 VanDerWaalsContact C-N 3.31Å; T450-Y452 PolarHBondContact O-N 2.77Å; T450-I453 HydrophobicContact CG2-CD1 4.25Å; T450-I453 WeakPolarHBondContact O-CB 3.27Å; T450-I453 PolarHBondContact O-N 3.15Å |
| 451 | S | 79.4 | Confident | 80.8 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.6 | -34.8 | 178.1 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | N449 I453 K455 | N449-S451 PolarHBondContact O-N 2.84Å; N449-S451 VanDerWaalsContact O-N 3.13Å; N449-S451 PolarHBondContact OD1-N 3.01Å; N449-S451 PolarHBondContact OD1-OG 3.36Å; S451-I453 VanDerWaalsContact C-N 3.33Å; S451-K455 PolarHBondContact O-N 2.96Å |
| 452 | Y | 81.2 | Confident | 81 | Confident | 32 Ų | 32 | 49 Ų | 49 | 13% | 0.125 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.7 | -17 | 179.8 | -80.6 | -90.2 | 0 | 0 | 0 | 113 | E396 V399 D400 N449 T450 V454 K455 H456 | E396-Y452 HydrophobicContact CB-CD1 3.92Å; E396-Y452 HydrophobicContact CB-CD2 4.42Å; E396-Y452 HydrophobicContact CB-CE1 3.57Å; E396-Y452 HydrophobicContact CB-CE2 4.1Å; E396-Y452 HydrophobicContact CB-CG 4.33Å; E396-Y452 HydrophobicContact CG-CD1 3.85Å; E396-Y452 HydrophobicContact CG-CD2 3.69Å; E396-Y452 HydrophobicContact CG-CE1 3.9Å; E396-Y452 HydrophobicContact CG-CE2 3.73Å; E396-Y452 HydrophobicContact CG-CG 3.74Å; E396-Y452 VanDerWaalsContact OE1-CD2 3.25Å; E396-Y452 WeakPolarHBondContact OE1-CD2 3.41Å; E396-Y452 WeakPolarHBondContact OE1-CE2 3.47Å; V399-Y452 HydrophobicContact CB-CD1 4.14Å; V399-Y452 HydrophobicContact CB-CE1 4.44Å; V399-Y452 HydrophobicContact CG1-CD1 4.17Å; V399-Y452 HydrophobicContact CG2-CD1 4.44Å; D400-Y452 PolarHBondContact OD2-OH 3.26Å; N449-Y452 HydrophobicContact CB-CD2 3.89Å; N449-Y452 PolarHBondContact O-N 3.49Å; T450-Y452 VanDerWaalsContact C-N 3.31Å; T450-Y452 PolarHBondContact O-N 2.77Å; Y452-V454 PolarHBondContact O-N 3.48Å; Y452-K455 HydrophobicContact CD1-CD 4.12Å; Y452-K455 HydrophobicContact CE1-CD 4.18Å; Y452-K455 PolarHBondContact O-N 2.9Å; Y452-H456 WeakPolarHBondContact O-CB 3.35Å; Y452-H456 PolarHBondContact O-N 2.9Å |
| 453 | I | 81.2 | Confident | 81.1 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -50 | 172.1 | -56.6 | 178.4 | 0 | 0 | 0 | 110.1 | A444 L445 Q447 N449 T450 S451 I457 | A444-I453 HydrophobicContact CB-CG2 4.3Å; A444-I453 WeakPolarHBondContact O-CG1 3.29Å; L445-I453 HydrophobicContact CD2-CG2 4.24Å; Q447-I453 HydrophobicContact CB-CG1 4.1Å; N449-I453 PolarHBondContact O-N 3.22Å; T450-I453 HydrophobicContact CG2-CD1 4.25Å; T450-I453 WeakPolarHBondContact O-CB 3.27Å; T450-I453 PolarHBondContact O-N 3.15Å; S451-I453 VanDerWaalsContact C-N 3.33Å; I453-I457 HydrophobicContact CG2-CD1 4.49Å; I453-I457 WeakPolarHBondContact O-CG1 3.26Å; I453-I457 PolarHBondContact O-N 3.43Å |
| 454 | V | 80.8 | Confident | 81.4 | Confident | 71 Ų | 71 | 41.4 Ų | 41.4 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69 | -44.3 | 180 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | Y452 H456 I457 T458 | Y452-V454 PolarHBondContact O-N 3.48Å; V454-H456 VanDerWaalsContact C-N 3.35Å; V454-H456 PolarHBondContact O-N 3.38Å; V454-I457 PolarHBondContact O-N 2.93Å; V454-T458 WeakPolarHBondContact O-CB 3.45Å; V454-T458 PolarHBondContact O-N 3.27Å; V454-T458 PolarHBondContact O-OG1 2.85Å |
| 455 | K | 83.4 | Confident | 81.3 | Confident | 84 Ų | 84 | 41.4 Ų | 41.4 | 37% | 0.365 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 178 | -70.4 | -174.7 | 167.5 | -167 | 0 | 112.4 | V399 D400 S451 Y452 I457 T458 A459 | V399-K455 HydrophobicContact CG1-CB 3.66Å; D400-K455 IonicContact OD1-NZ 3.57Å; S451-K455 PolarHBondContact O-N 2.96Å; Y452-K455 HydrophobicContact CD1-CD 4.12Å; Y452-K455 HydrophobicContact CE1-CD 4.18Å; Y452-K455 PolarHBondContact O-N 2.9Å; K455-I457 PolarHBondContact O-N 2.73Å; K455-T458 CarbonylContact O-C 3.57Å; K455-T458 PolarHBondContact O-N 3.42Å; K455-T458 VanDerWaalsContact O-N 3.16Å; K455-A459 VanDerWaalsContact O-CB 3.3Å; K455-A459 WeakPolarHBondContact O-CB 3.33Å; K455-A459 PolarHBondContact O-N 3.3Å |
| 456 | H | 85.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.3 | -51 | 177.8 | -174.5 | 114.5 | 0 | 0 | 0 | 111.2 | W398 V399 T437 A444 Q447 Y452 V454 T458 A459 G460 | W398-H456 AromaticContact CZ3-CE1 3.53Å; W398-H456 AromaticContact CZ3-ND1 3.78Å; W398-H456 AromaticContact CZ3-NE2 3.91Å; V399-H456 HydrophobicContact CG2-CB 4.07Å; T437-H456 PolarHBondContact O-NE2 3.13Å; A444-H456 HydrophobicContact CB-CB 4.43Å; Q447-H456 HydrophobicContact CG-CB 4.45Å; Q447-H456 PolarHBondContact NE2-ND1 2.74Å; Y452-H456 WeakPolarHBondContact O-CB 3.35Å; Y452-H456 PolarHBondContact O-N 2.9Å; V454-H456 VanDerWaalsContact C-N 3.35Å; V454-H456 PolarHBondContact O-N 3.38Å; H456-T458 VanDerWaalsContact C-N 3.32Å; H456-T458 PolarHBondContact O-N 3.42Å; H456-A459 PolarHBondContact O-N 3.18Å; H456-G460 PolarHBondContact O-N 2.91Å |
| 457 | I | 84.3 | Confident | 81.3 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.9 | -60.9 | 161 | 0 | 0 | 0 | 110.2 | M441 A444 I453 V454 K455 A459 G460 V461 L508 L518 | M441-I457 HydrophobicContact CE-CD1 3.96Å; M441-I457 HydrophobicContact SD-CD1 3.36Å; M441-I457 WeakPolarHBondContact SD-CD1 3.46Å; M441-I457 HydrophobicContact SD-CG1 4.07Å; A444-I457 HydrophobicContact CB-CD1 3.89Å; A444-I457 HydrophobicContact CB-CG1 3.54Å; I453-I457 HydrophobicContact CG2-CD1 4.49Å; I453-I457 WeakPolarHBondContact O-CG1 3.26Å; I453-I457 PolarHBondContact O-N 3.43Å; V454-I457 PolarHBondContact O-N 2.93Å; K455-I457 PolarHBondContact O-N 2.73Å; I457-A459 PolarHBondContact O-N 3.37Å; I457-G460 PolarHBondContact O-N 3.02Å; I457-V461 HydrophobicContact CG2-CG2 4.08Å; I457-V461 WeakPolarHBondContact O-CB 3.41Å; I457-V461 WeakPolarHBondContact O-CG2 3.05Å; I457-V461 PolarHBondContact O-N 3.25Å; I457-L508 HydrophobicContact CG2-CD1 4.11Å; I457-L518 HydrophobicContact CG2-CD1 4.23Å; I457-L518 HydrophobicContact CG2-CD2 4.15Å |
| 458 | T | 84.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 34 Ų | 34 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | -179.2 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | V454 K455 H456 V461 N462 L518 T521 | V454-T458 WeakPolarHBondContact O-CB 3.45Å; V454-T458 PolarHBondContact O-N 3.27Å; V454-T458 PolarHBondContact O-OG1 2.85Å; K455-T458 CarbonylContact O-C 3.57Å; K455-T458 PolarHBondContact O-N 3.42Å; K455-T458 VanDerWaalsContact O-N 3.16Å; H456-T458 VanDerWaalsContact C-N 3.32Å; H456-T458 PolarHBondContact O-N 3.42Å; T458-V461 PolarHBondContact O-N 2.81Å; T458-N462 WeakPolarHBondContact O-CB 3.11Å; T458-N462 PolarHBondContact O-N 3.32Å; T458-N462 PolarHBondContact O-ND2 3.41Å; T458-L518 HydrophobicContact CG2-CD1 4.44Å; T458-L518 WeakPolarHBondContact OG1-CD1 3.27Å; T458-T521 HydrophobicContact CG2-CG2 4.27Å |
| 459 | A | 83.5 | Confident | 81.2 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V399 L402 K455 H456 I457 N462 L463 | V399-A459 HydrophobicContact CG1-CB 4.32Å; L402-A459 HydrophobicContact CB-CB 4.15Å; L402-A459 HydrophobicContact CD1-CB 4.01Å; K455-A459 VanDerWaalsContact O-CB 3.3Å; K455-A459 WeakPolarHBondContact O-CB 3.33Å; K455-A459 PolarHBondContact O-N 3.3Å; H456-A459 PolarHBondContact O-N 3.18Å; I457-A459 PolarHBondContact O-N 3.37Å; A459-N462 PolarHBondContact O-N 3.41Å; A459-L463 VanDerWaalsContact O-CB 3.31Å; A459-L463 WeakPolarHBondContact O-CB 3.42Å; A459-L463 PolarHBondContact O-N 3.28Å |
| 460 | G | 84.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H456 I457 L463 A464 | H456-G460 PolarHBondContact O-N 2.91Å; I457-G460 PolarHBondContact O-N 3.02Å; G460-L463 PolarHBondContact O-N 3.35Å; G460-A464 WeakPolarHBondContact O-CB 3.33Å; G460-A464 PolarHBondContact O-N 2.76Å |
| 461 | V | 85.7 | Confident | 80 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 176.1 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | L439 I457 T458 A464 G465 L505 L508 I522 A525 | L439-V461 HydrophobicContact CD2-CG2 3.86Å; I457-V461 HydrophobicContact CG2-CG2 4.08Å; I457-V461 WeakPolarHBondContact O-CB 3.41Å; I457-V461 WeakPolarHBondContact O-CG2 3.05Å; I457-V461 PolarHBondContact O-N 3.25Å; T458-V461 PolarHBondContact O-N 2.81Å; V461-A464 PolarHBondContact O-N 2.82Å; V461-G465 PolarHBondContact O-N 3.48Å; V461-G465 VanDerWaalsContact O-N 3.08Å; V461-L505 HydrophobicContact CB-CD2 4.45Å; V461-L505 HydrophobicContact CG1-CD2 4.19Å; V461-L505 HydrophobicContact CG2-CD2 3.97Å; V461-L508 HydrophobicContact CG2-CD1 3.89Å; V461-I522 HydrophobicContact CG1-CB 4.47Å; V461-I522 HydrophobicContact CG1-CG1 3.98Å; V461-I522 HydrophobicContact CG2-CG1 3.98Å; V461-A525 HydrophobicContact CG1-CB 3.5Å; V461-A525 VanDerWaalsContact CG1-CB 3.5Å; V461-A525 VanDerWaalsContact O-CB 3.29Å; V461-A525 WeakPolarHBondContact O-CB 3.43Å |
| 462 | N | 83.2 | Confident | 79.5 | Confident | 56 Ų | 56 | 18.8 Ų | 18.8 | 30% | 0.299 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -65.3 | -42 | 177.3 | -71.5 | -23.6 | 0 | 0 | 0 | 111.4 | T458 A459 G465 L466 | T458-N462 WeakPolarHBondContact O-CB 3.11Å; T458-N462 PolarHBondContact O-N 3.32Å; T458-N462 PolarHBondContact O-ND2 3.41Å; A459-N462 PolarHBondContact O-N 3.41Å; N462-G465 PolarHBondContact O-N 3.42Å; N462-L466 WeakPolarHBondContact O-CB 3.48Å; N462-L466 VanDerWaalsContact O-CG 3.23Å; N462-L466 WeakPolarHBondContact O-CG 3.43Å; N462-L466 PolarHBondContact O-N 2.82Å |
| 463 | L | 83.9 | Confident | 79 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 176.3 | -175.7 | 67.9 | 0 | 0 | 0 | 111 | L402 I405 L431 W434 V435 A459 G460 G465 L466 V467 | L402-L463 HydrophobicContact CD2-CD2 4.07Å; I405-L463 HydrophobicContact CD1-CD1 4.38Å; I405-L463 HydrophobicContact CG2-CD1 4.05Å; L431-L463 HydrophobicContact CD2-CD1 4.28Å; W434-L463 HydrophobicContact CB-CD2 3.55Å; V435-L463 HydrophobicContact CG2-CD2 3.97Å; V435-L463 HydrophobicContact CG2-CG 3.92Å; A459-L463 VanDerWaalsContact O-CB 3.31Å; A459-L463 WeakPolarHBondContact O-CB 3.42Å; A459-L463 PolarHBondContact O-N 3.28Å; G460-L463 PolarHBondContact O-N 3.35Å; L463-G465 VanDerWaalsContact C-N 3.34Å; L463-G465 PolarHBondContact O-N 2.93Å; L463-L466 PolarHBondContact O-N 3.01Å; L463-V467 HydrophobicContact CD1-CG2 3.8Å; L463-V467 HydrophobicContact CG-CG2 4.01Å; L463-V467 VanDerWaalsContact O-CB 3.32Å; L463-V467 WeakPolarHBondContact O-CB 3.49Å; L463-V467 VanDerWaalsContact O-CG2 3.22Å; L463-V467 WeakPolarHBondContact O-CG2 3.35Å; L463-V467 PolarHBondContact O-N 3.36Å |
| 464 | A | 84.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V435 L439 G460 V461 T468 V501 | V435-A464 HydrophobicContact CG1-CB 3.85Å; L439-A464 HydrophobicContact CD1-CB 4.24Å; G460-A464 WeakPolarHBondContact O-CB 3.33Å; G460-A464 PolarHBondContact O-N 2.76Å; V461-A464 PolarHBondContact O-N 2.82Å; A464-T468 WeakPolarHBondContact O-CB 3.45Å; A464-T468 WeakPolarHBondContact O-CG2 3.27Å; A464-T468 PolarHBondContact O-N 3.34Å; A464-T468 PolarHBondContact O-OG1 2.87Å; A464-V501 HydrophobicContact CB-CG1 4.08Å |
| 465 | G | 79.6 | Confident | 78 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V461 N462 L463 T468 S469 Q528 | V461-G465 PolarHBondContact O-N 3.48Å; V461-G465 VanDerWaalsContact O-N 3.08Å; N462-G465 PolarHBondContact O-N 3.42Å; L463-G465 VanDerWaalsContact C-N 3.34Å; L463-G465 PolarHBondContact O-N 2.93Å; G465-T468 PolarHBondContact O-OG1 3.11Å; G465-S469 VanDerWaalsContact O-CB 3.27Å; G465-S469 WeakPolarHBondContact O-CB 3.37Å; G465-S469 PolarHBondContact O-N 3.18Å; G465-S469 VanDerWaalsContact O-N 3.13Å; G465-S469 PolarHBondContact O-OG 3.03Å; G465-Q528 VanDerWaalsContact CA-OE1 3.31Å; G465-Q528 WeakPolarHBondContact O-CB 3.24Å |
| 466 | L | 77.6 | Confident | 77.7 | Confident | 39 Ų | 39 | 16.1 Ų | 16.1 | 20% | 0.204 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.4 | -50.7 | 178.3 | -73.2 | 168.6 | 0 | 0 | 0 | 111.8 | L409 N462 L463 T468 S469 V470 | L409-L466 HydrophobicContact CD2-CB 4.36Å; N462-L466 WeakPolarHBondContact O-CB 3.48Å; N462-L466 VanDerWaalsContact O-CG 3.23Å; N462-L466 WeakPolarHBondContact O-CG 3.43Å; N462-L466 PolarHBondContact O-N 2.82Å; L463-L466 PolarHBondContact O-N 3.01Å; L466-T468 VanDerWaalsContact C-N 3.27Å; L466-T468 PolarHBondContact O-N 3.39Å; L466-S469 PolarHBondContact O-N 2.99Å; L466-S469 VanDerWaalsContact O-N 3.14Å; L466-S469 PolarHBondContact O-OG 3.24Å; L466-V470 HydrophobicContact CD2-CG2 4.11Å; L466-V470 WeakPolarHBondContact O-CB 3.35Å; L466-V470 VanDerWaalsContact O-CG2 3.32Å; L466-V470 WeakPolarHBondContact O-CG2 3.47Å; L466-V470 PolarHBondContact O-N 3.03Å |
| 467 | V | 78.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.7 | -38.6 | -177.6 | 169 | 0 | 0 | 0 | 0 | 111.6 | L409 V435 L463 I471 I475 L479 | L409-V467 HydrophobicContact CD2-CG2 4.22Å; V435-V467 HydrophobicContact CG2-CG2 4.39Å; L463-V467 HydrophobicContact CD1-CG2 3.8Å; L463-V467 HydrophobicContact CG-CG2 4.01Å; L463-V467 VanDerWaalsContact O-CB 3.32Å; L463-V467 WeakPolarHBondContact O-CB 3.49Å; L463-V467 VanDerWaalsContact O-CG2 3.22Å; L463-V467 WeakPolarHBondContact O-CG2 3.35Å; L463-V467 PolarHBondContact O-N 3.36Å; V467-I471 HydrophobicContact CB-CD1 4.01Å; V467-I471 HydrophobicContact CG1-CD1 3.88Å; V467-I471 HydrophobicContact CG2-CD1 4.02Å; V467-I471 WeakPolarHBondContact O-CG1 3.44Å; V467-I475 HydrophobicContact CG1-CG2 3.63Å; V467-L479 HydrophobicContact CG1-CD1 3.68Å |
| 468 | T | 76 | Confident | 76.7 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -79.2 | -22.3 | 179.3 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | A464 G465 L466 L479 T529 | A464-T468 WeakPolarHBondContact O-CB 3.45Å; A464-T468 WeakPolarHBondContact O-CG2 3.27Å; A464-T468 PolarHBondContact O-N 3.34Å; A464-T468 PolarHBondContact O-OG1 2.87Å; G465-T468 PolarHBondContact O-OG1 3.11Å; L466-T468 VanDerWaalsContact C-N 3.27Å; L466-T468 PolarHBondContact O-N 3.39Å; T468-L479 HydrophobicContact CG2-CB 4.47Å; T468-L479 HydrophobicContact CG2-CD1 4.13Å; T468-T529 HydrophobicContact CG2-CG2 4.24Å; T468-T529 WeakPolarHBondContact OG1-CA 3.23Å; T468-T529 VanDerWaalsContact OG1-CG2 3.25Å; T468-T529 WeakPolarHBondContact OG1-CG2 3.42Å |
| 469 | S | 72.6 | Confident | 76.5 | Confident | 4 Ų | 4 | 18 Ų | 18 | 3% | 0.028 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -103.4 | -25.5 | -175.9 | 62.1 | 0 | 0 | 0 | 0 | 115.3 | G465 L466 Q528 R531 | G465-S469 VanDerWaalsContact O-CB 3.27Å; G465-S469 WeakPolarHBondContact O-CB 3.37Å; G465-S469 PolarHBondContact O-N 3.18Å; G465-S469 VanDerWaalsContact O-N 3.13Å; G465-S469 PolarHBondContact O-OG 3.03Å; L466-S469 PolarHBondContact O-N 2.99Å; L466-S469 VanDerWaalsContact O-N 3.14Å; L466-S469 PolarHBondContact O-OG 3.24Å; S469-Q528 VanDerWaalsContact CB-O 3.31Å; S469-Q528 WeakPolarHBondContact CB-O 3.49Å; S469-R531 PolarHBondContact O-NH1 3.05Å; S469-R531 VanDerWaalsContact O-NH1 3.12Å |
| 470 | V | 64.7 | Low | 76.3 | Confident | 14 Ų | 14 | 18 Ų | 18 | 9% | 0.085 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -97.4 | -31 | -171.6 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | L321 F322 A410 L466 | L321-V470 HydrophobicContact CB-CG1 4.22Å; L321-V470 HydrophobicContact CD2-CG1 4.2Å; F322-V470 WeakPolarHBondContact CB-O 3.23Å; F322-V470 PolarHBondContact N-O 3.43Å; F322-V470 VanDerWaalsContact N-O 3.08Å; A410-V470 HydrophobicContact CB-CG1 3.44Å; A410-V470 VanDerWaalsContact CB-CG1 3.44Å; L466-V470 HydrophobicContact CD2-CG2 4.11Å; L466-V470 WeakPolarHBondContact O-CB 3.35Å; L466-V470 VanDerWaalsContact O-CG2 3.32Å; L466-V470 WeakPolarHBondContact O-CG2 3.47Å; L466-V470 PolarHBondContact O-N 3.03Å |
| 471 | I | 66 | Low | 75.8 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -106 | 170.4 | -163.2 | -42.7 | 171.4 | 0 | 0 | 0 | 112.3 | L409 L413 L431 V467 I475 | L409-I471 HydrophobicContact CD1-CD1 4.43Å; L409-I471 HydrophobicContact CD2-CD1 4.07Å; L409-I471 HydrophobicContact CG-CD1 4.24Å; L413-I471 HydrophobicContact CD1-CD1 3.6Å; L413-I471 HydrophobicContact CD1-CG1 3.87Å; L413-I471 HydrophobicContact CD1-CG2 3.79Å; L431-I471 HydrophobicContact CD1-CD1 4.44Å; V467-I471 HydrophobicContact CB-CD1 4.01Å; V467-I471 HydrophobicContact CG1-CD1 3.88Å; V467-I471 HydrophobicContact CG2-CD1 4.02Å; V467-I471 WeakPolarHBondContact O-CG1 3.44Å; I471-I475 HydrophobicContact CB-CD1 4.1Å; I471-I475 HydrophobicContact CD1-CD1 4.07Å; I471-I475 HydrophobicContact CG2-CD1 3.32Å; I471-I475 HydrophobicContact CG2-CG1 4.22Å |
| 472 | N | 68.5 | Low | 74.9 | Confident | 18 Ų | 18 | 22.9 Ų | 22.9 | 10% | 0.096 | 13% | 0.126 | C | C | . | . | trans | -41.8 | 142.8 | 173.9 | -165.4 | 5.5 | 0 | 0 | 0 | 113.7 | F322 E474 I475 A476 | F322-N472 HydrophobicContact CD1-CB 4.19Å; F322-N472 HydrophobicContact CE1-CB 3.88Å; N472-E474 PolarHBondContact ND2-OE1 2.86Å; N472-E474 PolarHBondContact ND2-OE2 3.44Å; N472-E474 PolarHBondContact O-N 3.13Å; N472-E474 VanDerWaalsContact O-N 3.11Å; N472-I475 PolarHBondContact O-N 3.37Å; N472-I475 VanDerWaalsContact O-N 3.16Å; N472-A476 PolarHBondContact O-N 3.02Å | ||
| 473 | S | 69.9 | Low | 73.7 | Confident | 48 Ų | 48 | 26.3 Ų | 26.3 | 34% | 0.336 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -53.9 | -28.5 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | N477 | S473-N477 WeakPolarHBondContact O-CB 3.2Å; S473-N477 VanDerWaalsContact O-CG 3.27Å; S473-N477 PolarHBondContact O-N 3.4Å; S473-N477 PolarHBondContact O-ND2 3.3Å |
| 474 | E | 69.4 | Low | 71.9 | Confident | 110 Ų | 110 | 30.5 Ų | 30.5 | 51% | 0.514 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.4 | -69.8 | 168.1 | -160.6 | 0 | 0 | 113.5 | N472 N477 A478 | N472-E474 PolarHBondContact ND2-OE1 2.86Å; N472-E474 PolarHBondContact ND2-OE2 3.44Å; N472-E474 PolarHBondContact O-N 3.13Å; N472-E474 VanDerWaalsContact O-N 3.11Å; E474-N477 WeakPolarHBondContact O-CB 3.5Å; E474-N477 PolarHBondContact O-N 3.13Å; E474-A478 PolarHBondContact O-N 3.09Å |
| 475 | I | 72.8 | Confident | 69.8 | Low | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.5 | -41.9 | -179.2 | -50 | -178 | 0 | 0 | 0 | 110.2 | I428 V467 I471 N472 N477 A478 L479 | I428-I475 HydrophobicContact CB-CD1 4.26Å; I428-I475 HydrophobicContact CD1-CD1 3.74Å; I428-I475 HydrophobicContact CD1-CG1 3.94Å; I428-I475 HydrophobicContact CG1-CD1 3.54Å; I428-I475 HydrophobicContact CG1-CG1 4.13Å; I428-I475 HydrophobicContact CG2-CD1 3.91Å; I428-I475 HydrophobicContact CG2-CG1 3.79Å; I428-I475 HydrophobicContact CG2-CG2 4.43Å; V467-I475 HydrophobicContact CG1-CG2 3.63Å; I471-I475 HydrophobicContact CB-CD1 4.1Å; I471-I475 HydrophobicContact CD1-CD1 4.07Å; I471-I475 HydrophobicContact CG2-CD1 3.32Å; I471-I475 HydrophobicContact CG2-CG1 4.22Å; N472-I475 PolarHBondContact O-N 3.37Å; N472-I475 VanDerWaalsContact O-N 3.16Å; I475-N477 PolarHBondContact O-N 3.32Å; I475-A478 PolarHBondContact O-N 2.67Å; I475-A478 VanDerWaalsContact O-N 3.13Å; I475-L479 HydrophobicContact CG2-CD1 4.33Å; I475-L479 PolarHBondContact O-N 2.88Å; I475-L479 VanDerWaalsContact O-N 3.08Å |
| 476 | A | 75.7 | Confident | 67.8 | Low | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.1 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | N472 L479 L480 L532 | N472-A476 PolarHBondContact O-N 3.02Å; A476-L479 PolarHBondContact O-N 3.13Å; A476-L480 HydrophobicContact CB-CD1 4.21Å; A476-L480 WeakPolarHBondContact O-CB 3.48Å; A476-L480 WeakPolarHBondContact O-CD1 3.47Å; A476-L480 WeakPolarHBondContact O-CG 3.12Å; A476-L480 PolarHBondContact O-N 2.71Å; A476-L532 HydrophobicContact CB-CD1 4.49Å |
| 477 | N | 74.3 | Confident | 65.7 | Low | 45 Ų | 45 | 49.6 Ų | 49.6 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 173.8 | -82.3 | -31.4 | 0 | 0 | 0 | 112.6 | S473 E474 I475 L479 L480 Y481 I534 Q544 | S473-N477 WeakPolarHBondContact O-CB 3.2Å; S473-N477 VanDerWaalsContact O-CG 3.27Å; S473-N477 PolarHBondContact O-N 3.4Å; S473-N477 PolarHBondContact O-ND2 3.3Å; E474-N477 WeakPolarHBondContact O-CB 3.5Å; E474-N477 PolarHBondContact O-N 3.13Å; I475-N477 PolarHBondContact O-N 3.32Å; N477-L479 VanDerWaalsContact C-N 3.31Å; N477-L479 PolarHBondContact O-N 3.31Å; N477-L480 PolarHBondContact O-N 3.29Å; N477-Y481 CarbonylContact O-C 3.54Å; N477-Y481 WeakPolarHBondContact O-CA 3.37Å; N477-Y481 WeakPolarHBondContact O-CB 3.43Å; N477-Y481 PolarHBondContact O-N 3.13Å; N477-I534 WeakPolarHBondContact OD1-CG2 3.32Å; N477-Q544 PolarHBondContact OD1-NE2 3.08Å |
| 478 | A | 74.7 | Confident | 63.4 | Low | 35 Ų | 35 | 52.7 Ų | 52.7 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E474 I475 | E474-A478 PolarHBondContact O-N 3.09Å; I475-A478 PolarHBondContact O-N 2.67Å; I475-A478 VanDerWaalsContact O-N 3.13Å |
| 479 | L | 80 | Confident | 61.3 | Low | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -83.2 | -27.4 | 179.6 | -70.8 | 179.3 | 0 | 0 | 0 | 113.7 | Q432 V435 Y436 V467 T468 I475 A476 N477 V501 | Q432-L479 HydrophobicContact CB-CD2 4.43Å; Q432-L479 HydrophobicContact CG-CD2 4.22Å; V435-L479 HydrophobicContact CG1-CD1 4.5Å; V435-L479 HydrophobicContact CG1-CD2 4.37Å; V435-L479 HydrophobicContact CG2-CD1 4.41Å; Y436-L479 HydrophobicContact CE2-CD2 3.89Å; V467-L479 HydrophobicContact CG1-CD1 3.68Å; T468-L479 HydrophobicContact CG2-CB 4.47Å; T468-L479 HydrophobicContact CG2-CD1 4.13Å; I475-L479 HydrophobicContact CG2-CD1 4.33Å; I475-L479 PolarHBondContact O-N 2.88Å; I475-L479 VanDerWaalsContact O-N 3.08Å; A476-L479 PolarHBondContact O-N 3.13Å; N477-L479 VanDerWaalsContact C-N 3.31Å; N477-L479 PolarHBondContact O-N 3.31Å; L479-V501 HydrophobicContact CB-CB 4.49Å; L479-V501 HydrophobicContact CB-CG2 3.75Å; L479-V501 HydrophobicContact CD2-CG2 3.89Å; L479-V501 HydrophobicContact CG-CG2 4.26Å; L479-V501 WeakPolarHBondContact O-CG2 3.25Å; L479-V501 PolarHBondContact O-N 3.02Å; L479-V501 VanDerWaalsContact O-N 3.1Å |
| 480 | L | 79.1 | Confident | 59.2 | Low | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -94.6 | -23.8 | -177.6 | -65.7 | 169.6 | 0 | 0 | 0 | 113.2 | A476 N477 Q500 Q502 I534 A538 | A476-L480 HydrophobicContact CB-CD1 4.21Å; A476-L480 WeakPolarHBondContact O-CB 3.48Å; A476-L480 WeakPolarHBondContact O-CD1 3.47Å; A476-L480 WeakPolarHBondContact O-CG 3.12Å; A476-L480 PolarHBondContact O-N 2.71Å; N477-L480 PolarHBondContact O-N 3.29Å; L480-Q500 VanDerWaalsContact O-CG 3.29Å; L480-Q500 WeakPolarHBondContact O-CG 3.4Å; L480-Q500 PolarHBondContact O-NE2 3.46Å; L480-Q502 HydrophobicContact CD2-CG 3.77Å; L480-I534 HydrophobicContact CD1-CG2 4.04Å; L480-A538 HydrophobicContact CB-CB 3.99Å; L480-A538 HydrophobicContact CD2-CB 4.35Å |
| 481 | Y | 75.3 | Confident | 57.6 | Low | 60 Ų | 60 | 73.9 Ų | 73.9 | 24% | 0.235 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -133.9 | 71.8 | 177.4 | -63.6 | -80.1 | 0 | 0 | 0 | 109.7 | N477 V483 I534 A538 I542 Q544 | N477-Y481 CarbonylContact O-C 3.54Å; N477-Y481 WeakPolarHBondContact O-CA 3.37Å; N477-Y481 WeakPolarHBondContact O-CB 3.43Å; N477-Y481 PolarHBondContact O-N 3.13Å; Y481-V483 PolarHBondContact O-N 3.14Å; Y481-I534 HydrophobicContact CE2-CG2 4.09Å; Y481-A538 HydrophobicContact CE1-CB 4.47Å; Y481-A538 HydrophobicContact CE2-CB 3.93Å; Y481-A538 WeakPolarHBondContact OH-CA 3.02Å; Y481-A538 PolarHBondContact OH-N 3.22Å; Y481-I542 PolarHBondContact OH-O 3.08Å; Y481-Q544 HydrophobicContact CD1-CG 4.36Å; Y481-Q544 HydrophobicContact CD2-CG 4.08Å; Y481-Q544 HydrophobicContact CE1-CG 4.2Å; Y481-Q544 HydrophobicContact CE2-CG 3.92Å; Y481-Q544 HydrophobicContact CG-CG 4.29Å |
| 482 | P | 67.7 | Low | 56.3 | Low | 41 Ų | 41 | 79.1 Ų | 79.1 | 27% | 0.266 | 46% | 0.458 | S | S | . | . | trans | -60.5 | 128.9 | 177.7 | 24.8 | -32.6 | 0 | 0 | 0 | 110.3 | S484 | P482-S484 PolarHBondContact O-N 3.1Š| ||
| 483 | V | 56.8 | Low | 54.4 | Low | 129 Ų | 129 | 83.3 Ų | 83.3 | 78% | 0.782 | 48% | 0.476 | S | S | * | . | trans | -74 | 117.4 | 178.6 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | Y481 T485 | Y481-V483 PolarHBondContact O-N 3.14Å; V483-T485 PolarHBondContact O-N 3.15Å | ||
| 484 | S | 46.9 | Very low | 52.8 | Low | 90 Ų | 90 | 82.9 Ų | 82.9 | 63% | 0.629 | 48% | 0.475 | S | S | * | . | trans | -69.3 | 93.8 | 169.1 | 55.3 | 0 | 0 | 0 | 0 | 109.2 | P482 E486 | P482-S484 PolarHBondContact O-N 3.1Å; S484-E486 PolarHBondContact O-N 3.48Å; S484-E486 VanDerWaalsContact O-N 3.07Å | ||
| 485 | T | 40.5 | Very low | 51.7 | Low | 109 Ų | 109 | 85.6 Ų | 85.6 | 67% | 0.669 | 49% | 0.488 | S | S | * | . | trans | -69 | 105.7 | 169.1 | 49.5 | 0 | 0 | 0 | 0 | 108.4 | V483 N487 | V483-T485 PolarHBondContact O-N 3.15Å; T485-N487 PolarHBondContact O-N 3.33Å | ||
| 486 | E | 36.3 | Very low | 50.3 | Low | 187 Ų | 187 | 88.3 Ų | 88.3 | 87% | 0.874 | 50% | 0.502 | S | S | * | . | trans | -64.8 | 15.7 | 174.1 | -67.9 | -166.4 | 152.1 | 0 | 0 | 114.1 | S484 G488 | S484-E486 PolarHBondContact O-N 3.48Å; S484-E486 VanDerWaalsContact O-N 3.07Å; E486-G488 PolarHBondContact O-N 2.87Å | ||
| 487 | N | 34.6 | Very low | 49 | Very low | 145 Ų | 145 | 92.9 Ų | 92.9 | 78% | 0.775 | 52% | 0.523 | S | S | * | . | trans | -92.9 | 106.9 | -179.8 | -68 | -16.9 | 0 | 0 | 0 | 109.5 | T485 | T485-N487 PolarHBondContact O-N 3.33Š| ||
| 488 | G | 29 | Very low | 48.2 | Very low | 64 Ų | 64 | 95.5 Ų | 95.5 | 66% | 0.66 | 54% | 0.537 | S | S | * | . | trans | -62 | 168 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | E486 | E486-G488 PolarHBondContact O-N 2.87Š| ||
| 489 | N | 31.7 | Very low | 47.8 | Very low | 147 Ų | 147 | 96.6 Ų | 96.6 | 79% | 0.786 | 54% | 0.538 | S | S | * | . | trans | 81.9 | 55.9 | 154 | -54.2 | -20.5 | 0 | 0 | 0 | 118.7 | ||||
| 490 | D | 30.2 | Very low | 47.9 | Very low | 155 Ų | 155 | 97.6 Ų | 97.6 | 83% | 0.829 | 54% | 0.542 | S | S | * | . | trans | -145.9 | 100.9 | 144.2 | -92.5 | -36.1 | 0 | 0 | 0 | 112.1 | S492 | D490-S492 PolarHBondContact O-N 3.28Š| ||
| 491 | I | 30.2 | Very low | 48.2 | Very low | 162 Ų | 162 | 97.5 Ų | 97.5 | 83% | 0.831 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 89.5 | -168.8 | -58.7 | 162.8 | 0 | 0 | 0 | 108.2 | ||
| 492 | S | 38.7 | Very low | 48.7 | Very low | 111 Ų | 111 | 94.6 Ų | 94.6 | 78% | 0.776 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -173.2 | -19.6 | 150.3 | 50.9 | 0 | 0 | 0 | 0 | 115 | D490 | D490-S492 PolarHBondContact O-N 3.28Š|
| 493 | F | 29.1 | Very low | 49.6 | Very low | 105 Ų | 105 | 93.4 Ų | 93.4 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -20 | 174.4 | -101.9 | -95.8 | 0 | 0 | 0 | 114.5 | Q495 I496 E497 | F493-Q495 PolarHBondContact O-N 3.41Å; F493-I496 PolarHBondContact O-N 3.08Å; F493-E497 PolarHBondContact O-N 3.34Å |
| 494 | A | 36.4 | Very low | 50.9 | Low | 39 Ų | 39 | 88 Ų | 88 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -53.8 | -43 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | I496 E497 D498 | A494-I496 PolarHBondContact O-N 3.15Å; A494-E497 PolarHBondContact O-N 3.48Å; A494-D498 WeakPolarHBondContact O-CB 3.31Å; A494-D498 PolarHBondContact O-N 3.34Å |
| 495 | Q | 45.8 | Very low | 52.8 | Low | 167 Ų | 167 | 83.7 Ų | 83.7 | 78% | 0.78 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.2 | -25.9 | -174.8 | -73.2 | -172.9 | -9.2 | 0 | 0 | 115.1 | F493 L499 | F493-Q495 PolarHBondContact O-N 3.41Å; Q495-L499 WeakPolarHBondContact O-CD1 3.15Å |
| 496 | I | 44.1 | Very low | 54.9 | Low | 58 Ų | 58 | 78.5 Ų | 78.5 | 30% | 0.297 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -92.8 | -39.5 | 178.7 | -60.7 | 175.2 | 0 | 0 | 0 | 110.5 | F493 A494 D498 L499 L504 | F493-I496 PolarHBondContact O-N 3.08Å; A494-I496 PolarHBondContact O-N 3.15Å; I496-D498 PolarHBondContact O-N 3.1Å; I496-L499 PolarHBondContact O-N 3.21Å; I496-L504 HydrophobicContact CG2-CD2 4.23Å |
| 497 | E | 47.5 | Very low | 57.2 | Low | 97 Ų | 97 | 72.6 Ų | 72.6 | 45% | 0.453 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.3 | -26.4 | 174.7 | -70.6 | 176.3 | 174 | 0 | 0 | 111.9 | F493 A494 L499 | F493-E497 PolarHBondContact O-N 3.34Å; A494-E497 PolarHBondContact O-N 3.48Å; E497-L499 VanDerWaalsContact C-N 3.25Å; E497-L499 PolarHBondContact O-N 3.11Å |
| 498 | D | 57.8 | Low | 59.6 | Low | 101 Ų | 101 | 66 Ų | 66 | 54% | 0.54 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -11.5 | 178 | -65.7 | -26 | 0 | 0 | 0 | 113.8 | A494 I496 | A494-D498 WeakPolarHBondContact O-CB 3.31Å; A494-D498 PolarHBondContact O-N 3.34Å; I496-D498 PolarHBondContact O-N 3.1Å |
| 499 | L | 65.4 | Low | 62.2 | Low | 58 Ų | 58 | 63.2 Ų | 63.2 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -100.8 | 123.4 | -174.5 | -80.6 | 152.7 | 0 | 0 | 0 | 112.2 | Q495 I496 E497 V501 H503 L504 | Q495-L499 WeakPolarHBondContact O-CD1 3.15Å; I496-L499 PolarHBondContact O-N 3.21Å; E497-L499 VanDerWaalsContact C-N 3.25Å; E497-L499 PolarHBondContact O-N 3.11Å; L499-V501 PolarHBondContact O-N 3.38Å; L499-H503 HydrophobicContact CD2-CB 4.12Å; L499-L504 HydrophobicContact CB-CD2 3.8Å; L499-L504 HydrophobicContact CB-CG 4.04Å; L499-L504 HydrophobicContact CD1-CD2 4.21Å |
| 500 | Q | 82.3 | Confident | 64.6 | Low | 22 Ų | 22 | 60.8 Ų | 60.8 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | trans | -45.8 | 135.9 | 167.8 | 178.3 | -175.7 | 53.5 | 0 | 0 | 112.3 | L480 Q502 H503 L504 A538 | L480-Q500 VanDerWaalsContact O-CG 3.29Å; L480-Q500 WeakPolarHBondContact O-CG 3.4Å; L480-Q500 PolarHBondContact O-NE2 3.46Å; Q500-Q502 HydrophobicContact CG-CB 4.2Å; Q500-Q502 PolarHBondContact O-N 3.49Å; Q500-Q502 VanDerWaalsContact O-N 3.13Å; Q500-H503 WeakPolarHBondContact O-CA 3.44Å; Q500-H503 WeakPolarHBondContact O-CB 3.29Å; Q500-H503 PolarHBondContact O-N 3Å; Q500-H503 PolarHBondContact OE1-CD2 3.04Å; Q500-H503 VanDerWaalsContact OE1-CD2 3.31Å; Q500-L504 PolarHBondContact O-N 3.43Å; Q500-L504 VanDerWaalsContact O-N 3.08Å; Q500-A538 VanDerWaalsContact NE2-CB 3.33Å; Q500-A538 PolarHBondContact NE2-O 3.28Å | ||
| 501 | V | 85.1 | Confident | 67 | Low | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.2 | -37.4 | -178.3 | 168 | 0 | 0 | 0 | 0 | 113.4 | V435 L439 A464 L479 L499 H503 L504 L505 | V435-V501 HydrophobicContact CG1-CG2 4.12Å; L439-V501 HydrophobicContact CD1-CG1 4.17Å; A464-V501 HydrophobicContact CB-CG1 4.08Å; L479-V501 HydrophobicContact CB-CB 4.49Å; L479-V501 HydrophobicContact CB-CG2 3.75Å; L479-V501 HydrophobicContact CD2-CG2 3.89Å; L479-V501 HydrophobicContact CG-CG2 4.26Å; L479-V501 WeakPolarHBondContact O-CG2 3.25Å; L479-V501 PolarHBondContact O-N 3.02Å; L479-V501 VanDerWaalsContact O-N 3.1Å; L499-V501 PolarHBondContact O-N 3.38Å; V501-H503 VanDerWaalsContact C-N 3.34Å; V501-H503 PolarHBondContact O-N 3.39Å; V501-L504 WeakPolarHBondContact O-CB 3.27Å; V501-L504 PolarHBondContact O-N 2.83Å; V501-L505 HydrophobicContact CG1-CD1 4.2Å; V501-L505 HydrophobicContact CG1-CG 4.41Å; V501-L505 WeakPolarHBondContact O-CG 3.18Å; V501-L505 PolarHBondContact O-N 3.15Å |
| 502 | Q | 87.2 | Confident | 69 | Low | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 175.6 | -67.1 | 174.1 | -9 | 0 | 0 | 112.1 | L480 Q500 L505 L506 L526 G535 F539 P627 | L480-Q502 HydrophobicContact CD2-CG 3.77Å; Q500-Q502 HydrophobicContact CG-CB 4.2Å; Q500-Q502 PolarHBondContact O-N 3.49Å; Q500-Q502 VanDerWaalsContact O-N 3.13Å; Q502-L505 PolarHBondContact O-N 2.79Å; Q502-L506 VanDerWaalsContact O-CG 3.23Å; Q502-L506 WeakPolarHBondContact O-CG 3.5Å; Q502-L506 PolarHBondContact O-N 3.23Å; Q502-L526 HydrophobicContact CB-CD2 4.5Å; Q502-G535 PolarHBondContact NE2-O 2.95Å; Q502-F539 HydrophobicContact CB-CD2 4.49Å; Q502-F539 HydrophobicContact CG-CD2 4.41Å; Q502-F539 VanDerWaalsContact OE1-N 3.12Å; Q502-P627 HydrophobicContact CB-CB 4.22Å; Q502-P627 HydrophobicContact CB-CG 4.24Å |
| 503 | H | 85 | Confident | 70.6 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 7% | 0.069 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 172.8 | -77 | -48.2 | 0 | 0 | 0 | 112.4 | L499 Q500 V501 L506 N507 Q625 P627 R630 | L499-H503 HydrophobicContact CD2-CB 4.12Å; Q500-H503 WeakPolarHBondContact O-CA 3.44Å; Q500-H503 WeakPolarHBondContact O-CB 3.29Å; Q500-H503 PolarHBondContact O-N 3Å; Q500-H503 PolarHBondContact OE1-CD2 3.04Å; Q500-H503 VanDerWaalsContact OE1-CD2 3.31Å; V501-H503 VanDerWaalsContact C-N 3.34Å; V501-H503 PolarHBondContact O-N 3.39Å; H503-L506 PolarHBondContact O-N 2.81Å; H503-N507 PolarHBondContact O-N 2.89Å; H503-N507 PolarHBondContact O-OD1 3.36Å; H503-Q625 PolarHBondContact CE1-O 3.18Å; H503-Q625 VanDerWaalsContact CE1-O 3.24Å; H503-P627 VanDerWaalsContact CE1-CD 3.47Å; H503-P627 WeakPolarHBondContact CE1-CD 3.33Å; H503-R630 PolarHBondContact ND1-NH1 3.17Å |
| 504 | L | 84.8 | Confident | 73 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 174.4 | -65.5 | 175.6 | 0 | 0 | 0 | 111.7 | Y436 L439 I496 L499 Q500 V501 L506 N507 L508 | Y436-L504 HydrophobicContact CD1-CD1 3.81Å; Y436-L504 HydrophobicContact CE1-CD1 3.78Å; L439-L504 HydrophobicContact CD1-CB 4.15Å; L439-L504 HydrophobicContact CD1-CD1 4.26Å; I496-L504 HydrophobicContact CG2-CD2 4.23Å; L499-L504 HydrophobicContact CB-CD2 3.8Å; L499-L504 HydrophobicContact CB-CG 4.04Å; L499-L504 HydrophobicContact CD1-CD2 4.21Å; Q500-L504 PolarHBondContact O-N 3.43Å; Q500-L504 VanDerWaalsContact O-N 3.08Å; V501-L504 WeakPolarHBondContact O-CB 3.27Å; V501-L504 PolarHBondContact O-N 2.83Å; L504-L506 VanDerWaalsContact C-N 3.33Å; L504-L506 PolarHBondContact O-N 3.12Å; L504-N507 WeakPolarHBondContact O-CB 3.38Å; L504-N507 PolarHBondContact O-N 3.05Å; L504-L508 PolarHBondContact O-N 3.06Å; L504-L508 VanDerWaalsContact O-N 3.14Å |
| 505 | L | 86.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 174 | -70.7 | 173.6 | 0 | 0 | 0 | 112.3 | L439 V461 V501 Q502 L508 L509 I522 A525 L526 T529 | L439-L505 HydrophobicContact CD2-CD2 3.7Å; V461-L505 HydrophobicContact CB-CD2 4.45Å; V461-L505 HydrophobicContact CG1-CD2 4.19Å; V461-L505 HydrophobicContact CG2-CD2 3.97Å; V501-L505 HydrophobicContact CG1-CD1 4.2Å; V501-L505 HydrophobicContact CG1-CG 4.41Å; V501-L505 WeakPolarHBondContact O-CG 3.18Å; V501-L505 PolarHBondContact O-N 3.15Å; Q502-L505 PolarHBondContact O-N 2.79Å; L505-L508 WeakPolarHBondContact O-CB 3.32Å; L505-L508 PolarHBondContact O-N 3.36Å; L505-L509 PolarHBondContact O-N 3.44Å; L505-I522 HydrophobicContact CB-CG2 4.28Å; L505-I522 HydrophobicContact CD2-CG2 4.47Å; L505-A525 HydrophobicContact CD1-CB 4.24Å; L505-A525 HydrophobicContact CD2-CB 4.44Å; L505-L526 HydrophobicContact CB-CD2 3.82Å; L505-L526 HydrophobicContact CB-CG 4.2Å; L505-L526 HydrophobicContact CD1-CD2 3.77Å; L505-L526 HydrophobicContact CD1-CG 4.12Å; L505-L526 HydrophobicContact CG-CD2 4.47Å; L505-T529 HydrophobicContact CD1-CG2 4.14Å |
| 506 | L | 86 | Confident | 76.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 174.7 | -68.7 | 169.5 | 0 | 0 | 0 | 112.3 | Q502 H503 L504 L508 L509 E510 L526 P627 R630 F631 I634 | Q502-L506 VanDerWaalsContact O-CG 3.23Å; Q502-L506 WeakPolarHBondContact O-CG 3.5Å; Q502-L506 PolarHBondContact O-N 3.23Å; H503-L506 PolarHBondContact O-N 2.81Å; L504-L506 VanDerWaalsContact C-N 3.33Å; L504-L506 PolarHBondContact O-N 3.12Å; L506-L508 VanDerWaalsContact C-N 3.25Å; L506-L508 PolarHBondContact O-N 3.29Å; L506-L509 HydrophobicContact CD2-CD2 4.41Å; L506-L509 PolarHBondContact O-N 3.29Å; L506-E510 WeakPolarHBondContact O-CB 3.42Å; L506-E510 WeakPolarHBondContact O-CG 3.21Å; L506-E510 PolarHBondContact O-N 3.06Å; L506-L526 HydrophobicContact CD2-CD1 4.16Å; L506-P627 HydrophobicContact CD1-CB 3.72Å; L506-P627 WeakPolarHBondContact CD1-O 3.49Å; L506-R630 HydrophobicContact CD1-CB 4.14Å; L506-F631 HydrophobicContact CD2-CB 4.14Å; L506-F631 HydrophobicContact CD2-CD2 3.87Å; L506-F631 HydrophobicContact CD2-CG 4.49Å; L506-I634 HydrophobicContact CD2-CD1 3.79Å |
| 507 | N | 84.7 | Confident | 78.6 | Confident | 62 Ų | 62 | 47.1 Ų | 47.1 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 172.9 | -67.6 | -13.4 | 0 | 0 | 0 | 111.2 | H503 L504 S511 R630 | H503-N507 PolarHBondContact O-N 2.89Å; H503-N507 PolarHBondContact O-OD1 3.36Å; L504-N507 WeakPolarHBondContact O-CB 3.38Å; L504-N507 PolarHBondContact O-N 3.05Å; N507-S511 PolarHBondContact O-N 2.85Å; N507-R630 PolarHBondContact OD1-NH1 3.26Å; N507-R630 PolarHBondContact OD1-NH2 2.94Å |
| 508 | L | 84.6 | Confident | 80.3 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 171.6 | -68.2 | -178.4 | 0 | 0 | 0 | 110.4 | L439 M441 I457 V461 L504 L505 L506 E510 S511 I514 I522 | L439-L508 HydrophobicContact CD2-CD1 3.84Å; M441-L508 HydrophobicContact CG-CD2 3.45Å; M441-L508 VanDerWaalsContact CG-CD2 3.45Å; M441-L508 HydrophobicContact SD-CD2 3.51Å; M441-L508 VanDerWaalsContact SD-CD2 3.51Å; I457-L508 HydrophobicContact CG2-CD1 4.11Å; V461-L508 HydrophobicContact CG2-CD1 3.89Å; L504-L508 PolarHBondContact O-N 3.06Å; L504-L508 VanDerWaalsContact O-N 3.14Å; L505-L508 WeakPolarHBondContact O-CB 3.32Å; L505-L508 PolarHBondContact O-N 3.36Å; L506-L508 VanDerWaalsContact C-N 3.25Å; L506-L508 PolarHBondContact O-N 3.29Å; L508-E510 VanDerWaalsContact C-N 3.31Å; L508-E510 PolarHBondContact O-N 3.29Å; L508-S511 VanDerWaalsContact O-CB 3.25Å; L508-S511 WeakPolarHBondContact O-CB 3.37Å; L508-S511 PolarHBondContact O-N 3.03Å; L508-I514 HydrophobicContact CB-CD1 3.52Å; L508-I514 HydrophobicContact CD2-CD1 4.22Å; L508-I514 HydrophobicContact CG-CD1 4.4Å; L508-I514 WeakPolarHBondContact O-CD1 3.4Å; L508-I514 VanDerWaalsContact O-CG1 3.28Å; L508-I514 WeakPolarHBondContact O-CG1 3.46Å; L508-I522 HydrophobicContact CB-CD1 3.86Å |
| 509 | L | 83.2 | Confident | 81.7 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -34.5 | -178.4 | -162.4 | 61.5 | 0 | 0 | 0 | 113.9 | L505 L506 S511 R519 I522 F631 I634 Y647 | L505-L509 PolarHBondContact O-N 3.44Å; L506-L509 HydrophobicContact CD2-CD2 4.41Å; L506-L509 PolarHBondContact O-N 3.29Å; L509-S511 VanDerWaalsContact C-N 3.29Å; L509-R519 HydrophobicContact CD1-CB 3.99Å; L509-R519 HydrophobicContact CD1-CG 3.86Å; L509-I522 HydrophobicContact CB-CG2 4.44Å; L509-I522 HydrophobicContact CD1-CG2 4.4Å; L509-F631 HydrophobicContact CD2-CD2 4.39Å; L509-F631 HydrophobicContact CD2-CE2 4.28Å; L509-I634 HydrophobicContact CB-CD1 4.38Å; L509-I634 HydrophobicContact CD2-CD1 4.1Å; L509-I634 HydrophobicContact CD2-CG2 3.76Å; L509-I634 HydrophobicContact CG-CD1 4.44Å; L509-I634 HydrophobicContact CG-CG2 3.98Å; L509-Y647 WeakPolarHBondContact CD1-OH 3.49Å; L509-Y647 HydrophobicContact CD2-CE1 3.9Å |
| 510 | E | 82.6 | Confident | 82.5 | Confident | 95 Ų | 95 | 39.7 Ų | 39.7 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.5 | -25.2 | 174 | -73.3 | 171.9 | -167.3 | 0 | 0 | 112.4 | L506 L508 R630 I634 | L506-E510 WeakPolarHBondContact O-CB 3.42Å; L506-E510 WeakPolarHBondContact O-CG 3.21Å; L506-E510 PolarHBondContact O-N 3.06Å; L508-E510 VanDerWaalsContact C-N 3.31Å; L508-E510 PolarHBondContact O-N 3.29Å; E510-R630 IonicContact OE1-CZ 2.73Å; E510-R630 IonicContact OE1-NE 2.61Å; E510-R630 PolarHBondContact OE1-NE 2.98Å; E510-R630 VanDerWaalsContact OE1-NE 3.13Å; E510-R630 IonicContact OE1-NH2 3.66Å; E510-R630 PolarHBondContact OE1-NH2 2.81Å; E510-R630 IonicContact OE2-NH2 3.69Å; E510-R630 PolarHBondContact OE2-NH2 3.48Å; E510-I634 HydrophobicContact CG-CD1 3.7Å; E510-I634 HydrophobicContact CG-CG1 4.01Å |
| 511 | S | 80.6 | Confident | 82.5 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | trans | -66.5 | 128.6 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | N507 L508 L509 L513 I514 | N507-S511 PolarHBondContact O-N 2.85Å; L508-S511 VanDerWaalsContact O-CB 3.25Å; L508-S511 WeakPolarHBondContact O-CB 3.37Å; L508-S511 PolarHBondContact O-N 3.03Å; L509-S511 VanDerWaalsContact C-N 3.29Å; S511-L513 PolarHBondContact O-N 3.33Å; S511-L513 VanDerWaalsContact O-N 3.16Å; S511-L513 PolarHBondContact OG-N 2.93Å; S511-I514 PolarHBondContact O-N 3.03Å | ||
| 512 | P | 71.3 | Confident | 82.5 | Confident | 116 Ų | 116 | 39.7 Ų | 39.7 | 75% | 0.753 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.8 | 178.6 | 29.2 | -35.3 | 0 | 0 | 0 | 113.1 | I514 | P512-I514 VanDerWaalsContact C-N 3.25Å; P512-I514 PolarHBondContact O-N 3.04Å |
| 513 | L | 72 | Confident | 82.3 | Confident | 129 Ų | 129 | 39.9 Ų | 39.9 | 68% | 0.675 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -10.2 | -178.3 | -61.8 | 172.5 | 0 | 0 | 0 | 113.3 | M441 S511 | M441-L513 HydrophobicContact CE-CD1 4.34Å; S511-L513 PolarHBondContact O-N 3.33Å; S511-L513 VanDerWaalsContact O-N 3.16Å; S511-L513 PolarHBondContact OG-N 2.93Å |
| 514 | I | 80.6 | Confident | 82.1 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | trans | -90 | 121.1 | -171.7 | -59.5 | -147.6 | 0 | 0 | 0 | 111.9 | L508 S511 P512 L518 R519 I522 | L508-I514 HydrophobicContact CB-CD1 3.52Å; L508-I514 HydrophobicContact CD2-CD1 4.22Å; L508-I514 HydrophobicContact CG-CD1 4.4Å; L508-I514 WeakPolarHBondContact O-CD1 3.4Å; L508-I514 VanDerWaalsContact O-CG1 3.28Å; L508-I514 WeakPolarHBondContact O-CG1 3.46Å; S511-I514 PolarHBondContact O-N 3.03Å; P512-I514 VanDerWaalsContact C-N 3.25Å; P512-I514 PolarHBondContact O-N 3.04Å; I514-L518 HydrophobicContact CB-CD2 4.43Å; I514-L518 HydrophobicContact CD1-CD2 4.14Å; I514-L518 HydrophobicContact CG1-CD2 4.33Å; I514-L518 HydrophobicContact CG2-CB 3.78Å; I514-L518 HydrophobicContact CG2-CD2 3.83Å; I514-L518 HydrophobicContact CG2-CG 3.78Å; I514-R519 HydrophobicContact CB-CG 4.5Å; I514-R519 HydrophobicContact CG2-CG 3.61Å; I514-R519 PolarHBondContact O-NE 2.97Å; I514-I522 HydrophobicContact CD1-CD1 3.61Å; I514-I522 HydrophobicContact CG2-CD1 3.9Å | ||
| 515 | T | 83 | Confident | 82 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | trans | -71.2 | 159.2 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | P517 L518 R519 | T515-P517 VanDerWaalsContact C-CD 3.48Å; T515-L518 PolarHBondContact O-N 3.49Å; T515-L518 VanDerWaalsContact O-N 3.13Å; T515-R519 WeakPolarHBondContact O-CG 3.25Å; T515-R519 PolarHBondContact O-N 3.3Å | ||
| 516 | T | 79.9 | Confident | 81.9 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -36.1 | -176.9 | 55.9 | 0 | 0 | 0 | 0 | 115 | R519 L520 N640 | T516-R519 PolarHBondContact O-N 2.86Å; T516-L520 WeakPolarHBondContact O-CG 3.32Å; T516-L520 PolarHBondContact O-N 3.26Å; T516-N640 WeakPolarHBondContact CG2-ND2 3.4Å |
| 517 | P | 80.8 | Confident | 81.7 | Confident | 82 Ų | 82 | 40.9 Ų | 40.9 | 53% | 0.532 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 173.4 | -19.7 | 34.3 | 0 | 0 | 0 | 112.1 | T515 R519 L520 T521 | T515-P517 VanDerWaalsContact C-CD 3.48Å; P517-R519 VanDerWaalsContact C-N 3.31Å; P517-R519 PolarHBondContact O-N 3.23Å; P517-L520 WeakPolarHBondContact O-CB 3.4Å; P517-L520 PolarHBondContact O-N 2.94Å; P517-L520 VanDerWaalsContact O-N 3.11Å; P517-T521 PolarHBondContact O-N 3.26Å |
| 518 | L | 84 | Confident | 81.5 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67 | -33.5 | 177.9 | -171.1 | 64.1 | 0 | 0 | 0 | 111.3 | I457 T458 I514 T515 L520 T521 I522 | I457-L518 HydrophobicContact CG2-CD1 4.23Å; I457-L518 HydrophobicContact CG2-CD2 4.15Å; T458-L518 HydrophobicContact CG2-CD1 4.44Å; T458-L518 WeakPolarHBondContact OG1-CD1 3.27Å; I514-L518 HydrophobicContact CB-CD2 4.43Å; I514-L518 HydrophobicContact CD1-CD2 4.14Å; I514-L518 HydrophobicContact CG1-CD2 4.33Å; I514-L518 HydrophobicContact CG2-CB 3.78Å; I514-L518 HydrophobicContact CG2-CD2 3.83Å; I514-L518 HydrophobicContact CG2-CG 3.78Å; T515-L518 PolarHBondContact O-N 3.49Å; T515-L518 VanDerWaalsContact O-N 3.13Å; L518-L520 VanDerWaalsContact C-N 3.33Å; L518-L520 PolarHBondContact O-N 3.28Å; L518-T521 WeakPolarHBondContact CA-OG1 3.23Å; L518-T521 PolarHBondContact O-N 2.91Å; L518-T521 PolarHBondContact O-OG1 3.48Å; L518-I522 HydrophobicContact CG-CD1 4.24Å; L518-I522 WeakPolarHBondContact O-CD1 3.41Å; L518-I522 WeakPolarHBondContact O-CG1 3.48Å; L518-I522 PolarHBondContact O-N 3.33Å |
| 519 | R | 86.1 | Confident | 81.4 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 170 | -65.4 | -174.2 | -176.2 | -170.1 | -8.4 | 111.7 | L509 I514 T515 T516 P517 I522 C523 T643 | L509-R519 HydrophobicContact CD1-CB 3.99Å; L509-R519 HydrophobicContact CD1-CG 3.86Å; I514-R519 HydrophobicContact CB-CG 4.5Å; I514-R519 HydrophobicContact CG2-CG 3.61Å; I514-R519 PolarHBondContact O-NE 2.97Å; T515-R519 WeakPolarHBondContact O-CG 3.25Å; T515-R519 PolarHBondContact O-N 3.3Å; T516-R519 PolarHBondContact O-N 2.86Å; P517-R519 VanDerWaalsContact C-N 3.31Å; P517-R519 PolarHBondContact O-N 3.23Å; R519-I522 PolarHBondContact O-N 2.78Å; R519-C523 PolarHBondContact O-N 3.32Å; R519-C523 PolarHBondContact O-SG 2.98Å; R519-T643 HydrophobicContact CB-CG2 3.97Å |
| 520 | L | 81.9 | Confident | 81.2 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.4 | -35.9 | 178.2 | -67.3 | 173.3 | 0 | 0 | 0 | 112.3 | T516 P517 L518 C523 R524 T643 A646 | T516-L520 WeakPolarHBondContact O-CG 3.32Å; T516-L520 PolarHBondContact O-N 3.26Å; P517-L520 WeakPolarHBondContact O-CB 3.4Å; P517-L520 PolarHBondContact O-N 2.94Å; P517-L520 VanDerWaalsContact O-N 3.11Å; L518-L520 VanDerWaalsContact C-N 3.33Å; L518-L520 PolarHBondContact O-N 3.28Å; L520-C523 PolarHBondContact O-N 3.1Å; L520-R524 VanDerWaalsContact O-CG 3.27Å; L520-R524 WeakPolarHBondContact O-CG 3.49Å; L520-R524 PolarHBondContact O-N 3.4Å; L520-T643 HydrophobicContact CD2-CG2 4.04Å; L520-T643 HydrophobicContact CG-CG2 4.32Å; L520-A646 HydrophobicContact CD2-CB 3.88Å |
| 521 | T | 82.8 | Confident | 80.9 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.2 | -38.6 | 173.5 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | T458 P517 L518 C523 R524 A525 | T458-T521 HydrophobicContact CG2-CG2 4.27Å; P517-T521 PolarHBondContact O-N 3.26Å; L518-T521 WeakPolarHBondContact CA-OG1 3.23Å; L518-T521 PolarHBondContact O-N 2.91Å; L518-T521 PolarHBondContact O-OG1 3.48Å; T521-C523 VanDerWaalsContact C-N 3.33Å; T521-C523 PolarHBondContact O-N 3.36Å; T521-R524 WeakPolarHBondContact O-CB 3.32Å; T521-R524 PolarHBondContact O-N 3.3Å; T521-A525 PolarHBondContact O-N 2.82Å |
| 522 | I | 84.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 172.3 | -67.4 | 162.3 | 0 | 0 | 0 | 110.9 | V461 L505 L508 L509 I514 L518 R519 R524 A525 L526 | V461-I522 HydrophobicContact CG1-CB 4.47Å; V461-I522 HydrophobicContact CG1-CG1 3.98Å; V461-I522 HydrophobicContact CG2-CG1 3.98Å; L505-I522 HydrophobicContact CB-CG2 4.28Å; L505-I522 HydrophobicContact CD2-CG2 4.47Å; L508-I522 HydrophobicContact CB-CD1 3.86Å; L509-I522 HydrophobicContact CB-CG2 4.44Å; L509-I522 HydrophobicContact CD1-CG2 4.4Å; I514-I522 HydrophobicContact CD1-CD1 3.61Å; I514-I522 HydrophobicContact CG2-CD1 3.9Å; L518-I522 HydrophobicContact CG-CD1 4.24Å; L518-I522 WeakPolarHBondContact O-CD1 3.41Å; L518-I522 WeakPolarHBondContact O-CG1 3.48Å; L518-I522 PolarHBondContact O-N 3.33Å; R519-I522 PolarHBondContact O-N 2.78Å; I522-R524 VanDerWaalsContact C-N 3.33Å; I522-R524 PolarHBondContact O-N 3.1Å; I522-A525 PolarHBondContact O-N 3.26Å; I522-L526 HydrophobicContact CG2-CD1 4.22Å; I522-L526 WeakPolarHBondContact O-CG 3.43Å; I522-L526 PolarHBondContact O-N 3.32Å |
| 523 | C | 83.2 | Confident | 81 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 174.4 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | R519 L520 T521 L526 D527 Y647 | R519-C523 PolarHBondContact O-N 3.32Å; R519-C523 PolarHBondContact O-SG 2.98Å; L520-C523 PolarHBondContact O-N 3.1Å; T521-C523 VanDerWaalsContact C-N 3.33Å; T521-C523 PolarHBondContact O-N 3.36Å; C523-L526 PolarHBondContact O-N 3.35Å; C523-D527 WeakPolarHBondContact O-CB 3.17Å; C523-D527 PolarHBondContact O-N 3.44Å; C523-Y647 VanDerWaalsContact SG-CD1 3.52Å; C523-Y647 WeakPolarHBondContact SG-CE1 3.34Å |
| 524 | R | 80.9 | Confident | 81.3 | Confident | 47 Ų | 47 | 28.7 Ų | 28.7 | 18% | 0.177 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 175.8 | -73.2 | 167.5 | -177.4 | 173.7 | 2.1 | 111.4 | L520 T521 I522 D527 Q528 P716 | L520-R524 VanDerWaalsContact O-CG 3.27Å; L520-R524 WeakPolarHBondContact O-CG 3.49Å; L520-R524 PolarHBondContact O-N 3.4Å; T521-R524 WeakPolarHBondContact O-CB 3.32Å; T521-R524 PolarHBondContact O-N 3.3Å; I522-R524 VanDerWaalsContact C-N 3.33Å; I522-R524 PolarHBondContact O-N 3.1Å; R524-D527 PolarHBondContact O-N 3.1Å; R524-Q528 WeakPolarHBondContact O-CB 3.45Å; R524-Q528 VanDerWaalsContact O-CG 3.3Å; R524-Q528 WeakPolarHBondContact O-CG 3.31Å; R524-Q528 PolarHBondContact O-N 3.24Å; R524-P716 HydrophobicContact CG-CG 3.77Å |
| 525 | A | 82.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V461 L505 T521 I522 Q528 T529 | V461-A525 HydrophobicContact CG1-CB 3.5Å; V461-A525 VanDerWaalsContact CG1-CB 3.5Å; V461-A525 VanDerWaalsContact O-CB 3.29Å; V461-A525 WeakPolarHBondContact O-CB 3.43Å; L505-A525 HydrophobicContact CD1-CB 4.24Å; L505-A525 HydrophobicContact CD2-CB 4.44Å; T521-A525 PolarHBondContact O-N 2.82Å; I522-A525 PolarHBondContact O-N 3.26Å; A525-Q528 WeakPolarHBondContact O-CB 3.28Å; A525-Q528 PolarHBondContact O-N 2.95Å; A525-T529 WeakPolarHBondContact O-CG2 3.49Å; A525-T529 PolarHBondContact O-N 3.26Å |
| 526 | L | 83.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 173.5 | -75.1 | 171.5 | 0 | 0 | 0 | 111.8 | Q502 L505 L506 I522 C523 Q528 T529 T530 F539 F631 L650 | Q502-L526 HydrophobicContact CB-CD2 4.5Å; L505-L526 HydrophobicContact CB-CD2 3.82Å; L505-L526 HydrophobicContact CB-CG 4.2Å; L505-L526 HydrophobicContact CD1-CD2 3.77Å; L505-L526 HydrophobicContact CD1-CG 4.12Å; L505-L526 HydrophobicContact CG-CD2 4.47Å; L506-L526 HydrophobicContact CD2-CD1 4.16Å; I522-L526 HydrophobicContact CG2-CD1 4.22Å; I522-L526 WeakPolarHBondContact O-CG 3.43Å; I522-L526 PolarHBondContact O-N 3.32Å; C523-L526 PolarHBondContact O-N 3.35Å; L526-Q528 VanDerWaalsContact C-N 3.32Å; L526-Q528 PolarHBondContact O-N 3.09Å; L526-T529 PolarHBondContact O-N 3.21Å; L526-T529 VanDerWaalsContact O-N 3.13Å; L526-T529 PolarHBondContact O-OG1 2.93Å; L526-T530 PolarHBondContact O-N 3.19Å; L526-T530 VanDerWaalsContact O-N 3.09Å; L526-T530 PolarHBondContact O-OG1 3.43Å; L526-F539 HydrophobicContact CD2-CE2 4.41Å; L526-F631 HydrophobicContact CD1-CE2 4.44Å; L526-L650 HydrophobicContact CB-CD2 3.93Å |
| 527 | D | 82.1 | Confident | 81.6 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 175.7 | -179.4 | 37.9 | 0 | 0 | 0 | 113 | C523 R524 T530 R531 L650 K653 | C523-D527 WeakPolarHBondContact O-CB 3.17Å; C523-D527 PolarHBondContact O-N 3.44Å; R524-D527 PolarHBondContact O-N 3.1Å; D527-T530 WeakPolarHBondContact CA-OG1 3.43Å; D527-T530 PolarHBondContact O-N 3.44Å; D527-T530 PolarHBondContact O-OG1 2.97Å; D527-R531 PolarHBondContact O-N 2.79Å; D527-L650 HydrophobicContact CB-CD1 4.24Å; D527-K653 PolarHBondContact O-NZ 2.8Å; D527-K653 VanDerWaalsContact O-NZ 3.13Å; D527-K653 WeakPolarHBondContact OD1-CD 3.24Å; D527-K653 IonicContact OD1-NZ 3.85Å; D527-K653 PolarHBondContact OD1-NZ 3.13Å |
| 528 | Q | 80.2 | Confident | 81.6 | Confident | 40 Ų | 40 | 19.3 Ų | 19.3 | 19% | 0.187 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 170.8 | -76.3 | 176.3 | -31.3 | 0 | 0 | 111.7 | G465 S469 R524 A525 L526 T530 R531 | G465-Q528 VanDerWaalsContact CA-OE1 3.31Å; G465-Q528 WeakPolarHBondContact O-CB 3.24Å; S469-Q528 VanDerWaalsContact CB-O 3.31Å; S469-Q528 WeakPolarHBondContact CB-O 3.49Å; R524-Q528 WeakPolarHBondContact O-CB 3.45Å; R524-Q528 VanDerWaalsContact O-CG 3.3Å; R524-Q528 WeakPolarHBondContact O-CG 3.31Å; R524-Q528 PolarHBondContact O-N 3.24Å; A525-Q528 WeakPolarHBondContact O-CB 3.28Å; A525-Q528 PolarHBondContact O-N 2.95Å; L526-Q528 VanDerWaalsContact C-N 3.32Å; L526-Q528 PolarHBondContact O-N 3.09Å; Q528-T530 PolarHBondContact O-N 3.27Å; Q528-R531 WeakPolarHBondContact O-CB 3.35Å; Q528-R531 PolarHBondContact O-N 3.22Å |
| 529 | T | 82.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.7 | -25.8 | 177.4 | 70 | 0 | 0 | 0 | 0 | 112.4 | T468 L505 A525 L526 G535 | T468-T529 HydrophobicContact CG2-CG2 4.24Å; T468-T529 WeakPolarHBondContact OG1-CA 3.23Å; T468-T529 VanDerWaalsContact OG1-CG2 3.25Å; T468-T529 WeakPolarHBondContact OG1-CG2 3.42Å; L505-T529 HydrophobicContact CD1-CG2 4.14Å; A525-T529 WeakPolarHBondContact O-CG2 3.49Å; A525-T529 PolarHBondContact O-N 3.26Å; L526-T529 PolarHBondContact O-N 3.21Å; L526-T529 VanDerWaalsContact O-N 3.13Å; L526-T529 PolarHBondContact O-OG1 2.93Å; T529-G535 VanDerWaalsContact O-CA 3.28Å; T529-G535 WeakPolarHBondContact O-CA 3.43Å |
| 530 | T | 80.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 13.4 | 177 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | L526 D527 Q528 L536 F539 L650 K653 | L526-T530 PolarHBondContact O-N 3.19Å; L526-T530 VanDerWaalsContact O-N 3.09Å; L526-T530 PolarHBondContact O-OG1 3.43Å; D527-T530 WeakPolarHBondContact CA-OG1 3.43Å; D527-T530 PolarHBondContact O-N 3.44Å; D527-T530 PolarHBondContact O-OG1 2.97Å; Q528-T530 PolarHBondContact O-N 3.27Å; T530-L536 HydrophobicContact CG2-CD2 4.23Å; T530-L536 WeakPolarHBondContact O-CG 3.39Å; T530-F539 HydrophobicContact CG2-CB 4.19Å; T530-F539 HydrophobicContact CG2-CD2 4.44Å; T530-F539 HydrophobicContact CG2-CG 4.18Å; T530-L650 HydrophobicContact CG2-CD1 4.35Å; T530-L650 WeakPolarHBondContact OG1-CD1 3.43Å; T530-K653 WeakPolarHBondContact O-CE 3.41Å |
| 531 | R | 76.3 | Confident | 81.1 | Confident | 58 Ų | 58 | 18.2 Ų | 18.2 | 22% | 0.219 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -66 | -41.9 | 175.1 | -170.4 | 179.7 | -178.2 | -160.8 | -2.4 | 112.1 | S469 D527 Q528 D739 | S469-R531 PolarHBondContact O-NH1 3.05Å; S469-R531 VanDerWaalsContact O-NH1 3.12Å; D527-R531 PolarHBondContact O-N 2.79Å; Q528-R531 WeakPolarHBondContact O-CB 3.35Å; Q528-R531 PolarHBondContact O-N 3.22Å; R531-D739 VanDerWaalsContact CG-OD1 3.27Å; R531-D739 WeakPolarHBondContact CG-OD1 3.24Å; R531-D739 IonicContact NE-OD1 2.73Å; R531-D739 PolarHBondContact NE-OD1 3.15Å |
| 532 | L | 76.6 | Confident | 80.7 | Confident | 24 Ų | 24 | 20.5 Ų | 20.5 | 13% | 0.126 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -91.2 | 146.8 | 177.6 | -68.3 | 172.6 | 0 | 0 | 0 | 110.9 | T320 A476 I534 G535 L536 | T320-L532 HydrophobicContact CG2-CD1 4.4Å; T320-L532 HydrophobicContact CG2-CD2 3.68Å; T320-L532 HydrophobicContact CG2-CG 4.47Å; A476-L532 HydrophobicContact CB-CD1 4.49Å; L532-I534 PolarHBondContact O-N 3.2Å; L532-G535 WeakPolarHBondContact O-CA 3.19Å; L532-G535 PolarHBondContact O-N 3.06Å; L532-L536 PolarHBondContact O-N 3.19Å |
| 533 | P | 77.1 | Confident | 79.5 | Confident | 24 Ų | 24 | 26 Ų | 26 | 16% | 0.156 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.5 | -34.1 | 177 | -25.3 | 32.6 | 0 | 0 | 0 | 113.8 | G535 L536 N537 S746 | P533-G535 VanDerWaalsContact C-N 3.28Å; P533-G535 PolarHBondContact O-N 3.22Å; P533-L536 PolarHBondContact O-N 3.36Å; P533-N537 WeakPolarHBondContact O-CB 3.41Å; P533-N537 PolarHBondContact O-N 3.43Å; P533-N537 PolarHBondContact O-ND2 2.9Å; P533-S746 VanDerWaalsContact CG-CB 3.47Å |
| 534 | I | 78.3 | Confident | 78 | Confident | 36 Ų | 36 | 30 Ų | 30 | 19% | 0.185 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.2 | -44.6 | 174 | -65.8 | 165 | 0 | 0 | 0 | 110.7 | N477 L480 Y481 L532 N537 A538 | N477-I534 WeakPolarHBondContact OD1-CG2 3.32Å; L480-I534 HydrophobicContact CD1-CG2 4.04Å; Y481-I534 HydrophobicContact CE2-CG2 4.09Å; L532-I534 PolarHBondContact O-N 3.2Å; I534-N537 PolarHBondContact O-N 3.47Å; I534-A538 VanDerWaalsContact O-CB 3.28Å; I534-A538 WeakPolarHBondContact O-CB 3.36Å; I534-A538 PolarHBondContact O-N 3.05Å |
| 535 | G | 81.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q502 T529 L532 P533 F539 | Q502-G535 PolarHBondContact NE2-O 2.95Å; T529-G535 VanDerWaalsContact O-CA 3.28Å; T529-G535 WeakPolarHBondContact O-CA 3.43Å; L532-G535 WeakPolarHBondContact O-CA 3.19Å; L532-G535 PolarHBondContact O-N 3.06Å; P533-G535 VanDerWaalsContact C-N 3.28Å; P533-G535 PolarHBondContact O-N 3.22Å; G535-F539 WeakPolarHBondContact O-CB 3.27Å; G535-F539 PolarHBondContact O-N 3.38Å |
| 536 | L | 83.1 | Confident | 73.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | 174.3 | -75.9 | 160.9 | 0 | 0 | 0 | 111.8 | T530 L532 P533 A538 F539 L540 V654 Y657 M743 | T530-L536 HydrophobicContact CG2-CD2 4.23Å; T530-L536 WeakPolarHBondContact O-CG 3.39Å; L532-L536 PolarHBondContact O-N 3.19Å; P533-L536 PolarHBondContact O-N 3.36Å; L536-A538 VanDerWaalsContact C-N 3.34Å; L536-A538 PolarHBondContact O-N 2.96Å; L536-F539 PolarHBondContact O-N 2.81Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 2.78Å; L536-V654 HydrophobicContact CD2-CG2 4.1Å; L536-Y657 HydrophobicContact CB-CD1 3.63Å; L536-Y657 HydrophobicContact CB-CE1 3.61Å; L536-Y657 HydrophobicContact CB-CG 4.11Å; L536-Y657 HydrophobicContact CD1-CD1 4.23Å; L536-Y657 HydrophobicContact CD1-CD2 3.81Å; L536-Y657 HydrophobicContact CD1-CE2 4.22Å; L536-Y657 HydrophobicContact CD1-CG 3.82Å; L536-Y657 HydrophobicContact CD2-CD1 4.43Å; L536-Y657 HydrophobicContact CD2-CG 4.41Å; L536-Y657 HydrophobicContact CG-CD1 4.31Å; L536-Y657 HydrophobicContact CG-CG 4.34Å; L536-M743 HydrophobicContact CD1-CE 3.95Å; L536-M743 HydrophobicContact CD1-CG 3.95Å; L536-M743 HydrophobicContact CD1-SD 4.35Å |
| 537 | N | 83.8 | Confident | 71.5 | Confident | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 175 | -74.6 | -23.1 | 0 | 0 | 0 | 111.4 | P533 I534 F539 L540 G541 I542 Y657 | P533-N537 WeakPolarHBondContact O-CB 3.41Å; P533-N537 PolarHBondContact O-N 3.43Å; P533-N537 PolarHBondContact O-ND2 2.9Å; I534-N537 PolarHBondContact O-N 3.47Å; N537-F539 VanDerWaalsContact C-N 3.27Å; N537-F539 PolarHBondContact O-N 3.32Å; N537-L540 PolarHBondContact O-N 3.33Å; N537-G541 PolarHBondContact O-N 2.9Å; N537-I542 HydrophobicContact CB-CB 4.19Å; N537-I542 PolarHBondContact O-N 3Å; N537-Y657 PolarHBondContact ND2-OH 3.41Å; N537-Y657 VanDerWaalsContact OD1-CE1 3.3Å; N537-Y657 WeakPolarHBondContact OD1-CE1 3.42Å; N537-Y657 PolarHBondContact OD1-OH 3.34Å |
| 538 | A | 81.6 | Confident | 69 | Low | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L480 Y481 Q500 I534 L536 G541 | L480-A538 HydrophobicContact CB-CB 3.99Å; L480-A538 HydrophobicContact CD2-CB 4.35Å; Y481-A538 HydrophobicContact CE1-CB 4.47Å; Y481-A538 HydrophobicContact CE2-CB 3.93Å; Y481-A538 WeakPolarHBondContact OH-CA 3.02Å; Y481-A538 PolarHBondContact OH-N 3.22Å; Q500-A538 VanDerWaalsContact NE2-CB 3.33Å; Q500-A538 PolarHBondContact NE2-O 3.28Å; I534-A538 VanDerWaalsContact O-CB 3.28Å; I534-A538 WeakPolarHBondContact O-CB 3.36Å; I534-A538 PolarHBondContact O-N 3.05Å; L536-A538 VanDerWaalsContact C-N 3.34Å; L536-A538 PolarHBondContact O-N 2.96Å; A538-G541 PolarHBondContact O-N 3.4Å |
| 539 | F | 85 | Confident | 66.4 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71 | -40.3 | 178.2 | -164.3 | -106.8 | 0 | 0 | 0 | 112.9 | Q502 L526 T530 G535 L536 N537 G541 P627 Y628 F631 V654 | Q502-F539 HydrophobicContact CB-CD2 4.49Å; Q502-F539 HydrophobicContact CG-CD2 4.41Å; Q502-F539 VanDerWaalsContact OE1-N 3.12Å; L526-F539 HydrophobicContact CD2-CE2 4.41Å; T530-F539 HydrophobicContact CG2-CB 4.19Å; T530-F539 HydrophobicContact CG2-CD2 4.44Å; T530-F539 HydrophobicContact CG2-CG 4.18Å; G535-F539 WeakPolarHBondContact O-CB 3.27Å; G535-F539 PolarHBondContact O-N 3.38Å; L536-F539 PolarHBondContact O-N 2.81Å; N537-F539 VanDerWaalsContact C-N 3.27Å; N537-F539 PolarHBondContact O-N 3.32Å; F539-G541 PolarHBondContact O-N 3.12Å; F539-P627 HydrophobicContact CD2-CB 3.55Å; F539-P627 HydrophobicContact CE2-CB 3.84Å; F539-P627 HydrophobicContact CG-CB 4.21Å; F539-P627 WeakPolarHBondContact O-CD 3.37Å; F539-Y628 HydrophobicContact CD1-CD2 4.24Å; F539-Y628 AromaticContact CE1-CD2 3.81Å; F539-Y628 HydrophobicContact CE1-CD2 3.81Å; F539-Y628 HydrophobicContact CE1-CG 4.38Å; F539-Y628 VanDerWaalsContact O-CB 3.23Å; F539-Y628 WeakPolarHBondContact O-CB 3.25Å; F539-Y628 PolarHBondContact O-N 3.26Å; F539-F631 HydrophobicContact CE1-CD1 4.44Å; F539-F631 HydrophobicContact CZ-CB 3.8Å; F539-F631 HydrophobicContact CZ-CD1 4.04Å; F539-F631 AromaticContact CZ-CG 3.91Å; F539-F631 HydrophobicContact CZ-CG 3.91Å; F539-V654 HydrophobicContact CD1-CG2 3.87Å; F539-V654 HydrophobicContact CE1-CG2 3.96Å |
| 540 | L | 82.1 | Confident | 63.7 | Low | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70 | -19.5 | 173.6 | -72 | 177.3 | 0 | 0 | 0 | 112.7 | L536 N537 I542 Y628 V654 Y657 E658 L661 | L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 2.78Å; N537-L540 PolarHBondContact O-N 3.33Å; L540-I542 HydrophobicContact CB-CD1 4.19Å; L540-I542 HydrophobicContact CB-CG1 4.12Å; L540-I542 HydrophobicContact CD1-CD1 4.11Å; L540-Y628 HydrophobicContact CD2-CD1 3.94Å; L540-Y628 HydrophobicContact CD2-CE1 4.26Å; L540-Y628 HydrophobicContact CD2-CG 4.16Å; L540-V654 HydrophobicContact CD2-CG1 3.69Å; L540-V654 HydrophobicContact CG-CG1 4.4Å; L540-Y657 HydrophobicContact CD1-CD1 3.73Å; L540-Y657 HydrophobicContact CD1-CE1 4.06Å; L540-E658 HydrophobicContact CD1-CG 4.25Å; L540-E658 HydrophobicContact CD2-CG 4.1Å; L540-E658 WeakPolarHBondContact CD2-OE1 3.34Å; L540-L661 HydrophobicContact CD1-CD1 4.05Å |
| 541 | G | 74.8 | Confident | 61.1 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 24.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | N537 A538 F539 | N537-G541 PolarHBondContact O-N 2.9Å; A538-G541 PolarHBondContact O-N 3.4Å; F539-G541 PolarHBondContact O-N 3.12Å |
| 542 | I | 73.3 | Confident | 58.5 | Low | 68 Ų | 68 | 81.3 Ų | 81.3 | 35% | 0.349 | 43% | 0.434 | S | S | . | . | trans | -79.3 | 119.8 | 174.8 | -58.1 | 171.7 | 0 | 0 | 0 | 108 | Y481 N537 L540 L661 | Y481-I542 PolarHBondContact OH-O 3.08Å; N537-I542 HydrophobicContact CB-CB 4.19Å; N537-I542 PolarHBondContact O-N 3Å; L540-I542 HydrophobicContact CB-CD1 4.19Å; L540-I542 HydrophobicContact CB-CG1 4.12Å; L540-I542 HydrophobicContact CD1-CD1 4.11Å; I542-L661 HydrophobicContact CD1-CD1 4.02Å | ||
| 543 | T | 60.6 | Low | 56 | Low | 116 Ų | 116 | 84.2 Ų | 84.2 | 71% | 0.712 | 46% | 0.462 | S | S | * | . | trans | -75.3 | 136.4 | 176.4 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | I545 | T543-I545 PolarHBondContact O-N 2.89Š| ||
| 544 | Q | 51 | Low | 53.4 | Low | 88 Ų | 88 | 92.9 Ų | 92.9 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | trans | -45.7 | 118.4 | 174.5 | -82.4 | -93.5 | 1.5 | 0 | 0 | 111.5 | N477 Y481 N546 | N477-Q544 PolarHBondContact OD1-NE2 3.08Å; Y481-Q544 HydrophobicContact CD1-CG 4.36Å; Y481-Q544 HydrophobicContact CD2-CG 4.08Å; Y481-Q544 HydrophobicContact CE1-CG 4.2Å; Y481-Q544 HydrophobicContact CE2-CG 3.92Å; Y481-Q544 HydrophobicContact CG-CG 4.29Å; Q544-N546 PolarHBondContact O-N 3.23Å | ||
| 545 | I | 42.1 | Very low | 50.8 | Low | 146 Ų | 146 | 100.2 Ų | 100.2 | 75% | 0.749 | 53% | 0.528 | S | S | * | . | trans | -76 | 110.4 | 163.5 | -61.2 | 168.9 | 0 | 0 | 0 | 104.8 | T543 S547 | T543-I545 PolarHBondContact O-N 2.89Å; I545-S547 PolarHBondContact O-N 3.26Å | ||
| 546 | N | 36.6 | Very low | 48 | Very low | 152 Ų | 152 | 107.8 Ų | 107.8 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | trans | -47.3 | 95.6 | 174.3 | -72.2 | -31.4 | 0 | 0 | 0 | 111.1 | Q544 | Q544-N546 PolarHBondContact O-N 3.23Š| ||
| 547 | S | 32.8 | Very low | 45.1 | Very low | 86 Ų | 86 | 115.8 Ų | 115.8 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | trans | -86.4 | -10 | 177.7 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | I545 R549 | I545-S547 PolarHBondContact O-N 3.26Å; S547-R549 PolarHBondContact O-N 2.84Å | ||
| 548 | D | 29.2 | Very low | 42 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 82% | 0.824 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 25 | -178.2 | -70.7 | -17.3 | 0 | 0 | 0 | 115.2 | ||
| 549 | R | 26.5 | Very low | 39.1 | Very low | 229 Ų | 229 | 130.2 Ų | 130.2 | 86% | 0.864 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 24 | 172.9 | -71.5 | -165.3 | -180 | -171.8 | 1.4 | 114.7 | S547 | S547-R549 PolarHBondContact O-N 2.84Š|
| 550 | K | 25.5 | Very low | 36.1 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -116.4 | 1.1 | 177.7 | -83.3 | -171 | 176.4 | -179.8 | 0 | 117 | ||
| 551 | S | 24.5 | Very low | 33.1 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -94.3 | -18.6 | 176.7 | 51.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 552 | D | 23.4 | Very low | 30.7 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -106.7 | 25.4 | -172.5 | -69.5 | -16.9 | 0 | 0 | 0 | 115.7 | ||
| 553 | A | 23.3 | Very low | 28.3 | Very low | 85 Ų | 85 | 154.7 Ų | 154.7 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -139.4 | 43 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 554 | K | 22.9 | Very low | 26.4 | Very low | 206 Ų | 206 | 154.6 Ų | 154.6 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -144.3 | 42.9 | 163.8 | -73.2 | -166 | 179.8 | 178 | 0 | 113.4 | ||
| 555 | K | 22.4 | Very low | 25.1 | Very low | 191 Ų | 191 | 161.7 Ų | 161.7 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -136.6 | 129.7 | 152.2 | -73.3 | -176.6 | 179.5 | 173.6 | 0 | 105.4 | ||
| 556 | N | 22.8 | Very low | 24 | Very low | 159 Ų | 159 | 164 Ų | 164 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | 95.1 | 69.1 | -176.9 | -45.3 | -25.5 | 0 | 0 | 0 | 115.4 | ||||
| 557 | L | 22.8 | Very low | 23.5 | Very low | 168 Ų | 168 | 163.7 Ų | 163.7 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | trans | -143.9 | 65.7 | 143.2 | -149.6 | 73.8 | 0 | 0 | 0 | 111.1 | ||||
| 558 | Y | 19.1 | Very low | 22.9 | Very low | 237 Ų | 237 | 168.1 Ų | 168.1 | 93% | 0.929 | 84% | 0.835 | S | S | * | * | trans | -134.6 | 84.9 | 151.7 | -90.1 | -83.3 | 0 | 0 | 0 | 106.7 | ||||
| 559 | S | 21 | Very low | 22.8 | Very low | 110 Ų | 110 | 167.7 Ų | 167.7 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | trans | -153 | 105.3 | 163.1 | -103.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 560 | S | 21.4 | Very low | 22.7 | Very low | 97 Ų | 97 | 164.3 Ų | 164.3 | 68% | 0.678 | 84% | 0.837 | S | S | * | * | trans | 53.7 | 110.4 | 133 | 63.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 561 | D | 20 | Very low | 22.7 | Very low | 157 Ų | 157 | 160.3 Ų | 160.3 | 84% | 0.84 | 84% | 0.835 | S | S | * | * | 33 | 102.5 | 123.6 | -66.6 | -35.1 | 0 | 0 | 0 | 118.6 | |||||
| 562 | F | 23.9 | Very low | 22.7 | Very low | 216 Ų | 216 | 162.7 Ų | 162.7 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | trans | -120.7 | 118.1 | 146.6 | -106.4 | -85.1 | 0 | 0 | 0 | 111.6 | ||||
| 563 | K | 22 | Very low | 22.8 | Very low | 189 Ų | 189 | 162.8 Ų | 162.8 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | -50 | 135.2 | 177.9 | -74.4 | 167 | 171.9 | 168 | 0 | 113.8 | R565 | K563-R565 PolarHBondContact O-N 3.49Š| ||
| 564 | S | 21 | Very low | 22.8 | Very low | 114 Ų | 114 | 163.4 Ų | 163.4 | 80% | 0.797 | 85% | 0.845 | S | S | * | * | trans | -11 | 118.3 | 141.8 | 62.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 565 | R | 23.2 | Very low | 22.8 | Very low | 238 Ų | 238 | 160.2 Ų | 160.2 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | trans | -148.3 | 96.6 | 146.6 | -159 | 152.3 | -170.7 | 165.6 | 1.4 | 112.2 | K563 | K563-R565 PolarHBondContact O-N 3.49Š| ||
| 566 | K | 19.6 | Very low | 22.8 | Very low | 194 Ų | 194 | 158.5 Ų | 158.5 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | 14.7 | 114 | 143.4 | -63.1 | -177.9 | 176 | -174.5 | 0 | 116.3 | ||||
| 567 | T | 26.8 | Very low | 22.7 | Very low | 146 Ų | 146 | 156.9 Ų | 156.9 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | -151.6 | 118.4 | 128.5 | 10.9 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 568 | E | 20.5 | Very low | 22.7 | Very low | 178 Ų | 178 | 159.8 Ų | 159.8 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | trans | -64.4 | 138.3 | 175 | -62.8 | 157.9 | 169.4 | 0 | 0 | 109.8 | ||||
| 569 | T | 27.1 | Very low | 22.8 | Very low | 145 Ų | 145 | 154.9 Ų | 154.9 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -166 | 121.3 | 131.3 | 24.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 570 | N | 23 | Very low | 22.8 | Very low | 158 Ų | 158 | 157.4 Ų | 157.4 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -70.2 | 144.2 | -179.5 | -58.6 | -41.1 | 0 | 0 | 0 | 111.8 | ||||
| 571 | S | 27 | Very low | 22.9 | Very low | 118 Ų | 118 | 161.6 Ų | 161.6 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | 156.3 | 121.9 | 113 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 572 | D | 23.2 | Very low | 23 | Very low | 151 Ų | 151 | 160.4 Ų | 160.4 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | trans | -60.1 | 138.6 | 165.6 | -57.3 | -58.3 | 0 | 0 | 0 | 110.2 | ||||
| 573 | D | 26.3 | Very low | 23 | Very low | 162 Ų | 162 | 157.4 Ų | 157.4 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | -178.9 | 119.2 | 123 | -88.7 | -25.9 | 0 | 0 | 0 | 109.6 | |||||
| 574 | A | 23.2 | Very low | 23.1 | Very low | 97 Ų | 97 | 155.8 Ų | 155.8 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -73 | 121.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 575 | D | 22.3 | Very low | 23.2 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 75% | 0.749 | 83% | 0.83 | S | S | * | * | trans | -159.3 | 141.8 | 148.9 | -121.7 | -25 | 0 | 0 | 0 | 114.9 | ||||
| 576 | H | 23.5 | Very low | 23.3 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | 89.6 | 89.3 | 155.3 | -67.6 | 14.5 | 0 | 0 | 0 | 119.5 | ||||
| 577 | C | 19.8 | Very low | 23.6 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -40.6 | 138.5 | 149.2 | -91.4 | 0 | 0 | 0 | 0 | 113.3 | T579 | C577-T579 PolarHBondContact O-N 3.13Š| ||
| 578 | Y | 22.2 | Very low | 23.4 | Very low | 230 Ų | 230 | 152.8 Ų | 152.8 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -73.3 | 105.8 | 176.6 | -72.1 | -90.1 | 0 | 0 | 0 | 111.6 | ||||
| 579 | T | 21.4 | Very low | 23.7 | Very low | 134 Ų | 134 | 154 Ų | 154 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70 | 120.6 | 170.9 | -36.6 | 0 | 0 | 0 | 0 | 110.7 | C577 | C577-T579 PolarHBondContact O-N 3.13Š|
| 580 | I | 22.4 | Very low | 23.3 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 130.6 | 168.2 | -65.9 | 174.4 | 0 | 0 | 0 | 108.4 | ||
| 581 | K | 22.1 | Very low | 23.3 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127.8 | -167 | -63.8 | 169.4 | 177.1 | 175.5 | 0 | 112.9 | ||
| 582 | T | 23.1 | Very low | 23.1 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -93.8 | 111.5 | 158.5 | 50.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 583 | N | 24 | Very low | 23.2 | Very low | 153 Ų | 153 | 151 Ų | 151 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -107.7 | 94.9 | 166.5 | -82 | -6.3 | 0 | 0 | 0 | 107.5 | ||||
| 584 | D | 23.8 | Very low | 23 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -119.9 | 109.4 | 162.6 | -87.3 | -35.5 | 0 | 0 | 0 | 107.7 | ||||
| 585 | E | 23.4 | Very low | 23 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -143.9 | 130.3 | 160.1 | -75.4 | -161.7 | 170.2 | 0 | 0 | 110 | ||||
| 586 | N | 24.6 | Very low | 22.9 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | 88.8 | 91.5 | 155.2 | -50.3 | -38.2 | 0 | 0 | 0 | 119.3 | ||||
| 587 | S | 26 | Very low | 23.1 | Very low | 126 Ų | 126 | 155.4 Ų | 155.4 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | -157 | 110.9 | 123.6 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 588 | E | 23.2 | Very low | 23.2 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -72.2 | 138 | 167.5 | -58.1 | 171.7 | 140.3 | 0 | 0 | 109.9 | ||||
| 589 | Q | 26 | Very low | 23.3 | Very low | 203 Ų | 203 | 150.9 Ų | 150.9 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | -160.8 | 148.1 | 143.5 | -112.6 | 170.4 | 28.4 | 0 | 0 | 112.4 | ||||
| 590 | C | 19.3 | Very low | 23.4 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -87.3 | 170.2 | -156.6 | -167.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 591 | S | 21.9 | Very low | 23.5 | Very low | 93 Ų | 93 | 152.5 Ų | 152.5 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | 95.7 | 114.2 | 142.6 | 66.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 592 | D | 23.8 | Very low | 23.7 | Very low | 136 Ų | 136 | 153.8 Ų | 153.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | 97.8 | 94.4 | 127.3 | -61.2 | -14.1 | 0 | 0 | 0 | 121.8 | |||||
| 593 | Q | 24.2 | Very low | 23.7 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | 60.8 | 124.6 | 114.6 | -70.6 | -175.8 | 8 | 0 | 0 | 120.9 | |||||
| 594 | M | 21.9 | Very low | 23.5 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 84% | 0.837 | 80% | 0.804 | S | S | * | * | trans | 68.2 | 97.3 | 136 | -78.1 | 178.6 | 151.1 | 0 | 0 | 118.3 | ||||
| 595 | K | 24.9 | Very low | 23.6 | Very low | 206 Ų | 206 | 155 Ų | 155 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | -167.5 | 104.5 | 99 | -104.2 | 170.2 | -179.1 | 175.4 | 0 | 110.8 | |||||
| 596 | C | 19.3 | Very low | 23.6 | Very low | 120 Ų | 120 | 152.5 Ų | 152.5 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -84.3 | 121.1 | 157.8 | -160.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 597 | N | 27.2 | Very low | 23.6 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -137.2 | 95.7 | 155.4 | -101.9 | 5.5 | 0 | 0 | 0 | 107 | ||||
| 598 | E | 22.3 | Very low | 23.5 | Very low | 169 Ų | 169 | 153 Ų | 153 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 49.3 | 117.8 | 131.4 | -76.8 | -172.9 | 165.3 | 0 | 0 | 120.1 | ||||
| 599 | S | 24.8 | Very low | 23.5 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | 96.8 | 82 | 126 | -59 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 600 | I | 23.2 | Very low | 23.4 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | 68.8 | 123.7 | 107.2 | -67.5 | 167 | 0 | 0 | 0 | 117.7 | |||||
| 601 | K | 24.1 | Very low | 23.7 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | 81 | 78.3 | 155.5 | -72 | 164 | -167.1 | -172.6 | 0 | 117.5 | ||||
| 602 | K | 26.2 | Very low | 23.9 | Very low | 212 Ų | 212 | 150.1 Ų | 150.1 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | trans | -122 | 118.4 | 139.4 | -77.5 | -173.8 | 177.2 | -179.8 | 0 | 108.4 | ||||
| 603 | Q | 22.8 | Very low | 23.9 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -62.3 | 140.9 | -177.9 | -90.8 | 147.8 | -59.6 | 0 | 0 | 112 | V605 | Q603-V605 PolarHBondContact O-N 3.05Š| ||
| 604 | H | 21.5 | Very low | 24 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -25.6 | 109.1 | 167.4 | -86.5 | -106 | 0 | 0 | 0 | 115.1 | I606 | H604-I606 WeakPolarHBondContact ND1-CD1 3.28Å; H604-I606 WeakPolarHBondContact ND1-CG1 3.28Å | ||
| 605 | V | 25 | Very low | 24.2 | Very low | 120 Ų | 120 | 155.5 Ų | 155.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -113.7 | 93.9 | 144 | 176.7 | 0 | 0 | 0 | 0 | 103.9 | Q603 N607 | Q603-V605 PolarHBondContact O-N 3.05Å; V605-N607 VanDerWaalsContact C-N 3.34Å; V605-N607 PolarHBondContact O-N 3.38Å; V605-N607 VanDerWaalsContact O-N 3.11Å | ||
| 606 | I | 24 | Very low | 24.2 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 61% | 0.605 | 79% | 0.79 | S | S | * | * | trans | -75 | 98.5 | 168.7 | -68.5 | 165.7 | 0 | 0 | 0 | 105.5 | H604 N608 | H604-I606 WeakPolarHBondContact ND1-CD1 3.28Å; H604-I606 WeakPolarHBondContact ND1-CG1 3.28Å; I606-N608 WeakPolarHBondContact CG2-OD1 3.46Å; I606-N608 PolarHBondContact O-N 3.36Å | ||
| 607 | N | 24.1 | Very low | 24.6 | Very low | 129 Ų | 129 | 158.3 Ų | 158.3 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | -65 | 102.4 | 159.4 | -73.7 | -21.9 | 0 | 0 | 0 | 106.6 | V605 S609 | V605-N607 VanDerWaalsContact C-N 3.34Å; V605-N607 PolarHBondContact O-N 3.38Å; V605-N607 VanDerWaalsContact O-N 3.11Å; N607-S609 VanDerWaalsContact C-N 3.25Å; N607-S609 PolarHBondContact O-N 2.86Å | ||
| 608 | N | 22.9 | Very low | 24.5 | Very low | 153 Ų | 153 | 158.4 Ų | 158.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -67.9 | 92.2 | 160.1 | -74.4 | -13 | 0 | 0 | 0 | 107 | I606 | I606-N608 WeakPolarHBondContact CG2-OD1 3.46Å; I606-N608 PolarHBondContact O-N 3.36Å | ||
| 609 | S | 23.2 | Very low | 24.8 | Very low | 91 Ų | 91 | 156.9 Ų | 156.9 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -126.2 | 54.1 | 170.4 | 68.5 | 0 | 0 | 0 | 0 | 109.7 | N607 | N607-S609 VanDerWaalsContact C-N 3.25Å; N607-S609 PolarHBondContact O-N 2.86Å | ||
| 610 | D | 24.3 | Very low | 24.9 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -126.9 | 91.1 | 160.3 | -63.8 | -36 | 0 | 0 | 0 | 102.9 | ||||
| 611 | D | 25.7 | Very low | 25.5 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | -168.3 | 72.7 | 104.5 | -76.3 | -32.3 | 0 | 0 | 0 | 110.3 | |||||
| 612 | V | 26.2 | Very low | 26.1 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -115.2 | 54.3 | 170.9 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 613 | E | 25.1 | Very low | 26.9 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -146.3 | 68.8 | 168.5 | -72.1 | -164.8 | 166.1 | 0 | 0 | 111.7 | ||||
| 614 | M | 24.9 | Very low | 28.5 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -143.7 | 60.6 | 164.1 | -74.7 | -66.2 | 177.6 | 0 | 0 | 110.7 | ||||
| 615 | F | 26.2 | Very low | 30.8 | Very low | 213 Ų | 213 | 145.5 Ų | 145.5 | 93% | 0.934 | 76% | 0.756 | S | S | * | * | trans | -130.9 | 72 | 166.2 | -83.8 | -73.5 | 0 | 0 | 0 | 109.2 | ||||
| 616 | D | 25.6 | Very low | 33.4 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | -119.2 | 129.6 | 176.1 | -128.3 | -15.5 | 0 | 0 | 0 | 112.4 | N618 | D616-N618 VanDerWaalsContact C-N 3.31Å; D616-N618 PolarHBondContact O-N 3.31Å | ||
| 617 | R | 26.8 | Very low | 36.2 | Very low | 237 Ų | 237 | 135.1 Ų | 135.1 | 89% | 0.894 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -78.9 | 27.9 | -158.4 | -82 | -174.2 | 174.6 | -154.1 | -1 | 116.6 | ||
| 618 | N | 26.7 | Very low | 39.2 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | trans | -131.4 | 42.6 | -170.2 | -67.5 | -37.8 | 0 | 0 | 0 | 115.6 | D616 | D616-N618 VanDerWaalsContact C-N 3.31Å; D616-N618 PolarHBondContact O-N 3.31Å | ||
| 619 | L | 27.9 | Very low | 42.2 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 72% | 0.717 | 66% | 0.659 | S | S | * | * | trans | -82.6 | 125.1 | 169 | -106.5 | 73.6 | 0 | 0 | 0 | 111.2 | K623 | L619-K623 HydrophobicContact CD2-CD 4.08Š| ||
| 620 | S | 27.5 | Very low | 45.2 | Very low | 78 Ų | 78 | 126 Ų | 126 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | trans | -53.8 | 146 | 180 | 45 | 0 | 0 | 0 | 0 | 113.1 | N622 K623 | S620-N622 PolarHBondContact O-N 3.35Å; S620-K623 PolarHBondContact O-N 2.98Å | ||
| 621 | P | 34.5 | Very low | 48.2 | Very low | 123 Ų | 123 | 119 Ų | 119 | 80% | 0.799 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 4.2 | -172.8 | 30 | -35.3 | 0 | 0 | 0 | 114.6 | ||
| 622 | N | 37.1 | Very low | 51.1 | Low | 150 Ų | 150 | 114.8 Ų | 114.8 | 80% | 0.802 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 4.6 | -179.8 | -73.2 | 7.4 | 0 | 0 | 0 | 114 | S620 | S620-N622 PolarHBondContact O-N 3.35Š|
| 623 | K | 42.6 | Very low | 53.8 | Low | 155 Ų | 155 | 114.5 Ų | 114.5 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -95.4 | 94.1 | 158.1 | -84 | -177 | 174.1 | -178.2 | 0 | 107 | L619 S620 Q625 | L619-K623 HydrophobicContact CD2-CD 4.08Å; S620-K623 PolarHBondContact O-N 2.98Å; K623-Q625 PolarHBondContact O-N 3.07Å |
| 624 | I | 56.1 | Low | 56.6 | Low | 147 Ų | 147 | 106.7 Ų | 106.7 | 75% | 0.754 | 53% | 0.525 | S | S | * | . | trans | -53.8 | 112.4 | 175 | -61 | 169.1 | 0 | 0 | 0 | 107 | S626 | I624-S626 PolarHBondContact O-N 3.46Š| ||
| 625 | Q | 69.9 | Low | 59.4 | Low | 90 Ų | 90 | 99.3 Ų | 99.3 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | trans | -63.8 | 130.8 | 178.6 | -171.9 | 178.3 | 10.1 | 0 | 0 | 108.1 | H503 K623 Q629 R630 | H503-Q625 PolarHBondContact CE1-O 3.18Å; H503-Q625 VanDerWaalsContact CE1-O 3.24Å; K623-Q625 PolarHBondContact O-N 3.07Å; Q625-Q629 HydrophobicContact CG-CB 3.43Å; Q625-Q629 VanDerWaalsContact CG-CB 3.43Å; Q625-Q629 HydrophobicContact CG-CG 4.49Å; Q625-Q629 VanDerWaalsContact NE2-C 3.26Å; Q625-Q629 PolarHBondContact NE2-O 2.73Å; Q625-R630 HydrophobicContact CB-CG 3.97Å; Q625-R630 HydrophobicContact CG-CG 3.73Å | ||
| 626 | S | 80.1 | Confident | 62 | Low | 16 Ų | 16 | 93.7 Ų | 93.7 | 11% | 0.112 | 48% | 0.477 | C | S | . | . | trans | -62.7 | 153.6 | -180 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | I624 Y628 Q629 R630 | I624-S626 PolarHBondContact O-N 3.46Å; S626-Y628 PolarHBondContact O-N 3.2Å; S626-Q629 PolarHBondContact O-N 3.08Å; S626-Q629 VanDerWaalsContact O-N 3.1Å; S626-Q629 WeakPolarHBondContact OG-CG 3.49Å; S626-Q629 PolarHBondContact OG-N 2.72Å; S626-R630 PolarHBondContact O-N 3.36Å | ||
| 627 | P | 83.6 | Confident | 64.7 | Low | 3 Ų | 3 | 90.4 Ų | 90.4 | 2% | 0.019 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -50.6 | -40.5 | 174.5 | -26.9 | 33.4 | 0 | 0 | 0 | 112.2 | Q502 H503 L506 F539 R630 F631 | Q502-P627 HydrophobicContact CB-CB 4.22Å; Q502-P627 HydrophobicContact CB-CG 4.24Å; H503-P627 VanDerWaalsContact CE1-CD 3.47Å; H503-P627 WeakPolarHBondContact CE1-CD 3.33Å; L506-P627 HydrophobicContact CD1-CB 3.72Å; L506-P627 WeakPolarHBondContact CD1-O 3.49Å; F539-P627 HydrophobicContact CD2-CB 3.55Å; F539-P627 HydrophobicContact CE2-CB 3.84Å; F539-P627 HydrophobicContact CG-CB 4.21Å; F539-P627 WeakPolarHBondContact O-CD 3.37Å; P627-R630 PolarHBondContact O-N 3Å; P627-F631 VanDerWaalsContact O-CB 3.27Å; P627-F631 WeakPolarHBondContact O-CB 3.32Å; P627-F631 PolarHBondContact O-N 3.44Å |
| 628 | Y | 86.7 | Confident | 67.2 | Low | 42 Ų | 42 | 80.1 Ų | 80.1 | 17% | 0.165 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 175.7 | 178.7 | -125.5 | 0 | 0 | 0 | 113.5 | F539 L540 S626 R630 F631 I632 L651 V654 E658 | F539-Y628 HydrophobicContact CD1-CD2 4.24Å; F539-Y628 AromaticContact CE1-CD2 3.81Å; F539-Y628 HydrophobicContact CE1-CD2 3.81Å; F539-Y628 HydrophobicContact CE1-CG 4.38Å; F539-Y628 VanDerWaalsContact O-CB 3.23Å; F539-Y628 WeakPolarHBondContact O-CB 3.25Å; F539-Y628 PolarHBondContact O-N 3.26Å; L540-Y628 HydrophobicContact CD2-CD1 3.94Å; L540-Y628 HydrophobicContact CD2-CE1 4.26Å; L540-Y628 HydrophobicContact CD2-CG 4.16Å; S626-Y628 PolarHBondContact O-N 3.2Å; Y628-R630 VanDerWaalsContact C-N 3.29Å; Y628-R630 PolarHBondContact O-N 3.03Å; Y628-F631 WeakPolarHBondContact O-CB 3.32Å; Y628-F631 PolarHBondContact O-N 3.34Å; Y628-F631 VanDerWaalsContact O-N 3.11Å; Y628-I632 HydrophobicContact CD1-CD1 4.17Å; Y628-I632 HydrophobicContact CD2-CD1 4.31Å; Y628-I632 HydrophobicContact CD2-CG1 4.37Å; Y628-I632 HydrophobicContact CE1-CD1 3.74Å; Y628-I632 HydrophobicContact CE2-CD1 3.88Å; Y628-I632 HydrophobicContact CE2-CG1 4.1Å; Y628-I632 HydrophobicContact CG-CD1 4.46Å; Y628-I632 WeakPolarHBondContact O-CG1 3.45Å; Y628-I632 PolarHBondContact O-N 3.4Å; Y628-L651 HydrophobicContact CE2-CD2 3.81Å; Y628-V654 HydrophobicContact CD2-CG1 3.94Å; Y628-V654 HydrophobicContact CE2-CB 4.41Å; Y628-V654 HydrophobicContact CE2-CG1 3.72Å; Y628-E658 WeakPolarHBondContact CE1-OE1 3.32Å |
| 629 | Q | 85.7 | Confident | 69.6 | Low | 107 Ų | 107 | 83.1 Ų | 83.1 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 178.3 | -75.6 | 176.3 | -7.6 | 0 | 0 | 111.8 | Q625 S626 F633 | Q625-Q629 HydrophobicContact CG-CB 3.43Å; Q625-Q629 VanDerWaalsContact CG-CB 3.43Å; Q625-Q629 HydrophobicContact CG-CG 4.49Å; Q625-Q629 VanDerWaalsContact NE2-C 3.26Å; Q625-Q629 PolarHBondContact NE2-O 2.73Å; S626-Q629 PolarHBondContact O-N 3.08Å; S626-Q629 VanDerWaalsContact O-N 3.1Å; S626-Q629 WeakPolarHBondContact OG-CG 3.49Å; S626-Q629 PolarHBondContact OG-N 2.72Å; Q629-F633 PolarHBondContact O-N 3.16Å |
| 630 | R | 86.5 | Confident | 72 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 13% | 0.125 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 173.2 | -71.1 | 179.2 | 64.8 | -176.1 | -0 | 111.2 | H503 L506 N507 E510 Q625 S626 P627 Y628 I632 F633 I634 | H503-R630 PolarHBondContact ND1-NH1 3.17Å; L506-R630 HydrophobicContact CD1-CB 4.14Å; N507-R630 PolarHBondContact OD1-NH1 3.26Å; N507-R630 PolarHBondContact OD1-NH2 2.94Å; E510-R630 IonicContact OE1-CZ 2.73Å; E510-R630 IonicContact OE1-NE 2.61Å; E510-R630 PolarHBondContact OE1-NE 2.98Å; E510-R630 VanDerWaalsContact OE1-NE 3.13Å; E510-R630 IonicContact OE1-NH2 3.66Å; E510-R630 PolarHBondContact OE1-NH2 2.81Å; E510-R630 IonicContact OE2-NH2 3.69Å; E510-R630 PolarHBondContact OE2-NH2 3.48Å; Q625-R630 HydrophobicContact CB-CG 3.97Å; Q625-R630 HydrophobicContact CG-CG 3.73Å; S626-R630 PolarHBondContact O-N 3.36Å; P627-R630 PolarHBondContact O-N 3Å; Y628-R630 VanDerWaalsContact C-N 3.29Å; Y628-R630 PolarHBondContact O-N 3.03Å; R630-I632 PolarHBondContact O-N 2.87Å; R630-F633 WeakPolarHBondContact O-CB 3.34Å; R630-F633 PolarHBondContact O-N 3.11Å; R630-I634 WeakPolarHBondContact O-CG1 3.45Å; R630-I634 PolarHBondContact O-N 3.3Å; R630-I634 VanDerWaalsContact O-N 3.08Å |
| 631 | F | 87.5 | Confident | 74.5 | Confident | 1 Ų | 1 | 79 Ų | 79 | 0% | 0.004 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 179.3 | -174.7 | -112.3 | 0 | 0 | 0 | 112.1 | L506 L509 L526 F539 P627 Y628 F633 I634 V635 Y647 L650 L651 | L506-F631 HydrophobicContact CD2-CB 4.14Å; L506-F631 HydrophobicContact CD2-CD2 3.87Å; L506-F631 HydrophobicContact CD2-CG 4.49Å; L509-F631 HydrophobicContact CD2-CD2 4.39Å; L509-F631 HydrophobicContact CD2-CE2 4.28Å; L526-F631 HydrophobicContact CD1-CE2 4.44Å; F539-F631 HydrophobicContact CE1-CD1 4.44Å; F539-F631 HydrophobicContact CZ-CB 3.8Å; F539-F631 HydrophobicContact CZ-CD1 4.04Å; F539-F631 AromaticContact CZ-CG 3.91Å; F539-F631 HydrophobicContact CZ-CG 3.91Å; P627-F631 VanDerWaalsContact O-CB 3.27Å; P627-F631 WeakPolarHBondContact O-CB 3.32Å; P627-F631 PolarHBondContact O-N 3.44Å; Y628-F631 WeakPolarHBondContact O-CB 3.32Å; Y628-F631 PolarHBondContact O-N 3.34Å; Y628-F631 VanDerWaalsContact O-N 3.11Å; F631-F633 VanDerWaalsContact C-N 3.27Å; F631-F633 PolarHBondContact O-N 2.86Å; F631-I634 WeakPolarHBondContact O-CA 3.09Å; F631-I634 WeakPolarHBondContact O-CB 3.12Å; F631-I634 PolarHBondContact O-N 3.45Å; F631-V635 HydrophobicContact CD1-CG2 4.03Å; F631-V635 HydrophobicContact CD2-CG2 4.49Å; F631-V635 HydrophobicContact CE1-CG2 3.76Å; F631-V635 HydrophobicContact CE2-CG2 4.24Å; F631-V635 HydrophobicContact CG-CG2 4.39Å; F631-V635 HydrophobicContact CZ-CG2 3.88Å; F631-V635 WeakPolarHBondContact O-CG2 3.4Å; F631-V635 PolarHBondContact O-N 3.21Å; F631-Y647 AromaticContact CE2-CD1 3.53Å; F631-Y647 HydrophobicContact CE2-CD1 3.53Å; F631-Y647 AromaticContact CE2-CE1 3.77Å; F631-Y647 HydrophobicContact CE2-CE1 3.77Å; F631-Y647 HydrophobicContact CE2-CG 4.3Å; F631-Y647 AromaticContact CZ-CD1 3.4Å; F631-Y647 HydrophobicContact CZ-CD1 3.4Å; F631-Y647 VanDerWaalsContact CZ-CD1 3.4Å; F631-Y647 HydrophobicContact CZ-CE1 4.14Å; F631-Y647 AromaticContact CZ-CG 3.91Å; F631-Y647 HydrophobicContact CZ-CG 3.91Å; F631-L650 HydrophobicContact CE1-CB 4.49Å; F631-L650 HydrophobicContact CE1-CD2 4.04Å; F631-L650 HydrophobicContact CE1-CG 4.33Å; F631-L650 HydrophobicContact CE2-CD2 4.3Å; F631-L650 HydrophobicContact CZ-CB 4.46Å; F631-L650 HydrophobicContact CZ-CD2 3.76Å; F631-L650 HydrophobicContact CZ-CG 4.43Å; F631-L651 HydrophobicContact CD1-CD2 3.94Å; F631-L651 HydrophobicContact CD1-CG 4.43Å; F631-L651 HydrophobicContact CE1-CD2 3.95Å; F631-L651 HydrophobicContact CE1-CG 3.94Å |
| 632 | I | 84.9 | Confident | 76.5 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 35% | 0.354 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 174.6 | -69.5 | 173 | 0 | 0 | 0 | 111.6 | Y628 R630 I634 V635 S636 L651 | Y628-I632 HydrophobicContact CD1-CD1 4.17Å; Y628-I632 HydrophobicContact CD2-CD1 4.31Å; Y628-I632 HydrophobicContact CD2-CG1 4.37Å; Y628-I632 HydrophobicContact CE1-CD1 3.74Å; Y628-I632 HydrophobicContact CE2-CD1 3.88Å; Y628-I632 HydrophobicContact CE2-CG1 4.1Å; Y628-I632 HydrophobicContact CG-CD1 4.46Å; Y628-I632 WeakPolarHBondContact O-CG1 3.45Å; Y628-I632 PolarHBondContact O-N 3.4Å; R630-I632 PolarHBondContact O-N 2.87Å; I632-I634 VanDerWaalsContact C-N 3.33Å; I632-I634 PolarHBondContact O-N 3.35Å; I632-V635 PolarHBondContact O-N 3.03Å; I632-S636 WeakPolarHBondContact O-CB 3.42Å; I632-S636 PolarHBondContact O-N 3.18Å; I632-S636 PolarHBondContact O-OG 3.17Å; I632-L651 HydrophobicContact CG1-CD2 4.35Å |
| 633 | F | 83.7 | Confident | 78.5 | Confident | 137 Ų | 137 | 73.6 Ų | 73.6 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 176.5 | -177.4 | -97.3 | 0 | 0 | 0 | 111.7 | Q629 R630 F631 S636 C637 | Q629-F633 PolarHBondContact O-N 3.16Å; R630-F633 WeakPolarHBondContact O-CB 3.34Å; R630-F633 PolarHBondContact O-N 3.11Å; F631-F633 VanDerWaalsContact C-N 3.27Å; F631-F633 PolarHBondContact O-N 2.86Å; F633-S636 PolarHBondContact O-N 3.3Å; F633-C637 PolarHBondContact O-N 2.89Å; F633-C637 PolarHBondContact O-SG 3.05Å |
| 634 | I | 83.8 | Confident | 80.3 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 176.2 | -63.2 | 167.1 | 0 | 0 | 0 | 111.4 | L506 L509 E510 R630 F631 I632 S636 C637 S638 | L506-I634 HydrophobicContact CD2-CD1 3.79Å; L509-I634 HydrophobicContact CB-CD1 4.38Å; L509-I634 HydrophobicContact CD2-CD1 4.1Å; L509-I634 HydrophobicContact CD2-CG2 3.76Å; L509-I634 HydrophobicContact CG-CD1 4.44Å; L509-I634 HydrophobicContact CG-CG2 3.98Å; E510-I634 HydrophobicContact CG-CD1 3.7Å; E510-I634 HydrophobicContact CG-CG1 4.01Å; R630-I634 WeakPolarHBondContact O-CG1 3.45Å; R630-I634 PolarHBondContact O-N 3.3Å; R630-I634 VanDerWaalsContact O-N 3.08Å; F631-I634 WeakPolarHBondContact O-CA 3.09Å; F631-I634 WeakPolarHBondContact O-CB 3.12Å; F631-I634 PolarHBondContact O-N 3.45Å; I632-I634 VanDerWaalsContact C-N 3.33Å; I632-I634 PolarHBondContact O-N 3.35Å; I634-S636 VanDerWaalsContact C-N 3.28Å; I634-S636 PolarHBondContact O-N 2.93Å; I634-C637 PolarHBondContact O-N 2.94Å; I634-C637 VanDerWaalsContact O-N 3.07Å; I634-S638 PolarHBondContact O-N 3.34Å |
| 635 | V | 83.3 | Confident | 81.3 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 177.5 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | F631 I632 C637 S638 Y647 L651 | F631-V635 HydrophobicContact CD1-CG2 4.03Å; F631-V635 HydrophobicContact CD2-CG2 4.49Å; F631-V635 HydrophobicContact CE1-CG2 3.76Å; F631-V635 HydrophobicContact CE2-CG2 4.24Å; F631-V635 HydrophobicContact CG-CG2 4.39Å; F631-V635 HydrophobicContact CZ-CG2 3.88Å; F631-V635 WeakPolarHBondContact O-CG2 3.4Å; F631-V635 PolarHBondContact O-N 3.21Å; I632-V635 PolarHBondContact O-N 3.03Å; V635-C637 PolarHBondContact O-N 3.33Å; V635-S638 PolarHBondContact O-N 3.43Å; V635-Y647 HydrophobicContact CB-CD2 4.46Å; V635-Y647 HydrophobicContact CG1-CD2 4.47Å; V635-Y647 HydrophobicContact CG2-CD1 4.48Å; V635-Y647 HydrophobicContact CG2-CD2 3.86Å; V635-Y647 HydrophobicContact CG2-CG 3.79Å; V635-L651 HydrophobicContact CG1-CD1 4.1Å; V635-L651 HydrophobicContact CG2-CD1 4.26Å |
| 636 | S | 81.1 | Confident | 81.7 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.6 | -26.9 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | I632 F633 I634 | I632-S636 WeakPolarHBondContact O-CB 3.42Å; I632-S636 PolarHBondContact O-N 3.18Å; I632-S636 PolarHBondContact O-OG 3.17Å; F633-S636 PolarHBondContact O-N 3.3Å; I634-S636 VanDerWaalsContact C-N 3.28Å; I634-S636 PolarHBondContact O-N 2.93Å |
| 637 | C | 82.1 | Confident | 81.9 | Confident | 80 Ų | 80 | 58.4 Ų | 58.4 | 54% | 0.541 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -90.8 | -12.4 | 178.2 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | F633 I634 V635 | F633-C637 PolarHBondContact O-N 2.89Å; F633-C637 PolarHBondContact O-SG 3.05Å; I634-C637 PolarHBondContact O-N 2.94Å; I634-C637 VanDerWaalsContact O-N 3.07Å; V635-C637 PolarHBondContact O-N 3.33Å |
| 638 | S | 81 | Confident | 81.9 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | trans | -77.3 | 128.9 | -175.6 | 166.6 | 0 | 0 | 0 | 0 | 112.4 | I634 V635 T643 T644 | I634-S638 PolarHBondContact O-N 3.34Å; V635-S638 PolarHBondContact O-N 3.43Å; S638-T643 PolarHBondContact OG-OG1 3.3Å; S638-T644 WeakPolarHBondContact OG-CG2 3Å | ||
| 639 | K | 76.1 | Confident | 81.6 | Confident | 212 Ų | 212 | 64.8 Ų | 64.8 | 92% | 0.922 | 33% | 0.332 | S | S | * | . | trans | -102.7 | -7 | 176.6 | -63.2 | -178.7 | -178.8 | 177.4 | 0 | 114.5 | ||||
| 640 | N | 78.9 | Confident | 81.6 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 21% | 0.214 | 31% | 0.309 | C | S | . | . | trans | -92.7 | 118 | -173.6 | 174.9 | 3.1 | 0 | 0 | 0 | 110.8 | T516 R642 T643 T644 | T516-N640 WeakPolarHBondContact CG2-ND2 3.4Å; N640-R642 VanDerWaalsContact C-N 3.26Å; N640-R642 PolarHBondContact O-N 3.09Å; N640-R642 PolarHBondContact OD1-N 3.35Å; N640-T643 WeakPolarHBondContact CB-OG1 3.43Å; N640-T643 PolarHBondContact O-N 3.49Å; N640-T643 VanDerWaalsContact O-N 3.14Å; N640-T643 PolarHBondContact O-OG1 2.78Å; N640-T644 WeakPolarHBondContact O-CG2 3.2Å; N640-T644 PolarHBondContact O-N 2.78Å; N640-T644 PolarHBondContact O-OG1 2.94Å | ||
| 641 | S | 78.6 | Confident | 81.5 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.9 | -35.1 | -177.6 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | T644 A645 | S641-T644 VanDerWaalsContact CA-OG1 3.23Å; S641-T644 WeakPolarHBondContact CA-OG1 3.42Å; S641-T644 PolarHBondContact O-OG1 3.32Å; S641-A645 WeakPolarHBondContact O-CB 3.08Å; S641-A645 PolarHBondContact O-N 3.25Å; S641-A645 VanDerWaalsContact O-N 3.07Å |
| 642 | R | 77.8 | Confident | 81.4 | Confident | 161 Ų | 161 | 62.3 Ų | 62.3 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -69.1 | -41.2 | 179.3 | -65.7 | -175.6 | -179.7 | -174.5 | -1.1 | 111.7 | N640 A646 | N640-R642 VanDerWaalsContact C-N 3.26Å; N640-R642 PolarHBondContact O-N 3.09Å; N640-R642 PolarHBondContact OD1-N 3.35Å; R642-A646 PolarHBondContact O-N 3.05Å |
| 643 | T | 79.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.9 | -37.2 | 178.2 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | R519 L520 S638 N640 A645 A646 Y647 | R519-T643 HydrophobicContact CB-CG2 3.97Å; L520-T643 HydrophobicContact CD2-CG2 4.04Å; L520-T643 HydrophobicContact CG-CG2 4.32Å; S638-T643 PolarHBondContact OG-OG1 3.3Å; N640-T643 WeakPolarHBondContact CB-OG1 3.43Å; N640-T643 PolarHBondContact O-N 3.49Å; N640-T643 VanDerWaalsContact O-N 3.14Å; N640-T643 PolarHBondContact O-OG1 2.78Å; T643-A645 PolarHBondContact O-N 3.02Å; T643-A646 PolarHBondContact O-N 3.36Å; T643-Y647 WeakPolarHBondContact O-CB 3.28Å; T643-Y647 WeakPolarHBondContact O-CD2 3.29Å; T643-Y647 PolarHBondContact O-N 2.9Å |
| 644 | T | 79.4 | Confident | 81.6 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.9 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | S638 N640 S641 A646 Y647 E648 | S638-T644 WeakPolarHBondContact OG-CG2 3Å; N640-T644 WeakPolarHBondContact O-CG2 3.2Å; N640-T644 PolarHBondContact O-N 2.78Å; N640-T644 PolarHBondContact O-OG1 2.94Å; S641-T644 VanDerWaalsContact CA-OG1 3.23Å; S641-T644 WeakPolarHBondContact CA-OG1 3.42Å; S641-T644 PolarHBondContact O-OG1 3.32Å; T644-A646 PolarHBondContact O-N 2.8Å; T644-Y647 PolarHBondContact O-N 3.41Å; T644-E648 WeakPolarHBondContact O-CB 3.38Å; T644-E648 PolarHBondContact O-N 3.04Å |
| 645 | A | 77.5 | Confident | 81.8 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | S641 T643 E648 R649 | S641-A645 WeakPolarHBondContact O-CB 3.08Å; S641-A645 PolarHBondContact O-N 3.25Å; S641-A645 VanDerWaalsContact O-N 3.07Å; T643-A645 PolarHBondContact O-N 3.02Å; A645-E648 PolarHBondContact O-N 3.45Å; A645-R649 WeakPolarHBondContact O-CG 3.46Å; A645-R649 PolarHBondContact O-N 3.23Å |
| 646 | A | 77.7 | Confident | 81.9 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L520 R642 T643 T644 R649 L650 P716 | L520-A646 HydrophobicContact CD2-CB 3.88Å; R642-A646 PolarHBondContact O-N 3.05Å; T643-A646 PolarHBondContact O-N 3.36Å; T644-A646 PolarHBondContact O-N 2.8Å; A646-R649 PolarHBondContact O-N 3.01Å; A646-L650 PolarHBondContact O-N 3.42Å; A646-P716 HydrophobicContact CB-CB 3.73Å; A646-P716 HydrophobicContact CB-CG 4.32Å |
| 647 | Y | 84.4 | Confident | 82.2 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 175.6 | -62.5 | -35.1 | 0 | 0 | 0 | 112.3 | L509 C523 F631 V635 T643 T644 R649 L650 L651 | L509-Y647 WeakPolarHBondContact CD1-OH 3.49Å; L509-Y647 HydrophobicContact CD2-CE1 3.9Å; C523-Y647 VanDerWaalsContact SG-CD1 3.52Å; C523-Y647 WeakPolarHBondContact SG-CE1 3.34Å; F631-Y647 AromaticContact CE2-CD1 3.53Å; F631-Y647 HydrophobicContact CE2-CD1 3.53Å; F631-Y647 AromaticContact CE2-CE1 3.77Å; F631-Y647 HydrophobicContact CE2-CE1 3.77Å; F631-Y647 HydrophobicContact CE2-CG 4.3Å; F631-Y647 AromaticContact CZ-CD1 3.4Å; F631-Y647 HydrophobicContact CZ-CD1 3.4Å; F631-Y647 VanDerWaalsContact CZ-CD1 3.4Å; F631-Y647 HydrophobicContact CZ-CE1 4.14Å; F631-Y647 AromaticContact CZ-CG 3.91Å; F631-Y647 HydrophobicContact CZ-CG 3.91Å; V635-Y647 HydrophobicContact CB-CD2 4.46Å; V635-Y647 HydrophobicContact CG1-CD2 4.47Å; V635-Y647 HydrophobicContact CG2-CD1 4.48Å; V635-Y647 HydrophobicContact CG2-CD2 3.86Å; V635-Y647 HydrophobicContact CG2-CG 3.79Å; T643-Y647 WeakPolarHBondContact O-CB 3.28Å; T643-Y647 WeakPolarHBondContact O-CD2 3.29Å; T643-Y647 PolarHBondContact O-N 2.9Å; T644-Y647 PolarHBondContact O-N 3.41Å; Y647-R649 VanDerWaalsContact C-N 3.31Å; Y647-R649 PolarHBondContact O-N 3.26Å; Y647-L650 PolarHBondContact O-N 2.87Å; Y647-L651 WeakPolarHBondContact O-CB 3.46Å; Y647-L651 WeakPolarHBondContact O-CG 3.04Å; Y647-L651 PolarHBondContact O-N 3.36Å |
| 648 | E | 83.2 | Confident | 82.4 | Confident | 111 Ų | 111 | 48.6 Ų | 48.6 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60 | -39.3 | 178 | -171.7 | -176.1 | 163.6 | 0 | 0 | 111.8 | T644 A645 L651 N652 | T644-E648 WeakPolarHBondContact O-CB 3.38Å; T644-E648 PolarHBondContact O-N 3.04Å; A645-E648 PolarHBondContact O-N 3.45Å; E648-L651 PolarHBondContact O-N 3.27Å; E648-N652 WeakPolarHBondContact O-CB 3.49Å; E648-N652 PolarHBondContact O-N 3.43Å; E648-N652 PolarHBondContact O-ND2 3.4Å |
| 649 | R | 82.3 | Confident | 82.6 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 25% | 0.253 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.8 | -59.5 | -55.5 | 176.5 | 104.2 | -12.9 | 112.7 | A645 A646 Y647 L651 N652 K653 Q711 I712 | A645-R649 WeakPolarHBondContact O-CG 3.46Å; A645-R649 PolarHBondContact O-N 3.23Å; A646-R649 PolarHBondContact O-N 3.01Å; Y647-R649 VanDerWaalsContact C-N 3.31Å; Y647-R649 PolarHBondContact O-N 3.26Å; R649-L651 VanDerWaalsContact C-N 3.33Å; R649-L651 PolarHBondContact O-N 3.48Å; R649-N652 PolarHBondContact O-N 2.94Å; R649-K653 PolarHBondContact O-N 3.35Å; R649-Q711 PolarHBondContact NH1-O 3.11Å; R649-Q711 PolarHBondContact NH2-O 2.69Å; R649-I712 WeakPolarHBondContact CD-O 3.21Å |
| 650 | L | 83.9 | Confident | 83.1 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 175 | -177.4 | 57.8 | 0 | 0 | 0 | 111.2 | L526 D527 T530 F631 A646 Y647 K653 V654 | L526-L650 HydrophobicContact CB-CD2 3.93Å; D527-L650 HydrophobicContact CB-CD1 4.24Å; T530-L650 HydrophobicContact CG2-CD1 4.35Å; T530-L650 WeakPolarHBondContact OG1-CD1 3.43Å; F631-L650 HydrophobicContact CE1-CB 4.49Å; F631-L650 HydrophobicContact CE1-CD2 4.04Å; F631-L650 HydrophobicContact CE1-CG 4.33Å; F631-L650 HydrophobicContact CE2-CD2 4.3Å; F631-L650 HydrophobicContact CZ-CB 4.46Å; F631-L650 HydrophobicContact CZ-CD2 3.76Å; F631-L650 HydrophobicContact CZ-CG 4.43Å; A646-L650 PolarHBondContact O-N 3.42Å; Y647-L650 PolarHBondContact O-N 2.87Å; L650-K653 WeakPolarHBondContact O-CB 3.33Å; L650-K653 PolarHBondContact O-N 3.49Å; L650-V654 WeakPolarHBondContact O-CG2 3.49Å; L650-V654 PolarHBondContact O-N 3.28Å |
| 651 | L | 85.4 | Confident | 83.4 | Confident | 40 Ų | 40 | 38.1 Ų | 38.1 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 174 | -73.7 | 172.7 | 0 | 0 | 0 | 111.9 | Y628 F631 I632 V635 Y647 E648 R649 K653 V654 H655 | Y628-L651 HydrophobicContact CE2-CD2 3.81Å; F631-L651 HydrophobicContact CD1-CD2 3.94Å; F631-L651 HydrophobicContact CD1-CG 4.43Å; F631-L651 HydrophobicContact CE1-CD2 3.95Å; F631-L651 HydrophobicContact CE1-CG 3.94Å; I632-L651 HydrophobicContact CG1-CD2 4.35Å; V635-L651 HydrophobicContact CG1-CD1 4.1Å; V635-L651 HydrophobicContact CG2-CD1 4.26Å; Y647-L651 WeakPolarHBondContact O-CB 3.46Å; Y647-L651 WeakPolarHBondContact O-CG 3.04Å; Y647-L651 PolarHBondContact O-N 3.36Å; E648-L651 PolarHBondContact O-N 3.27Å; R649-L651 VanDerWaalsContact C-N 3.33Å; R649-L651 PolarHBondContact O-N 3.48Å; L651-K653 VanDerWaalsContact C-N 3.34Å; L651-K653 PolarHBondContact O-N 2.93Å; L651-V654 PolarHBondContact O-N 2.93Å; L651-H655 VanDerWaalsContact O-CB 3.24Å; L651-H655 WeakPolarHBondContact O-CB 3.35Å; L651-H655 PolarHBondContact O-N 3.22Å |
| 652 | N | 86.1 | Confident | 83.7 | Confident | 46 Ų | 46 | 37.9 Ų | 37.9 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.6 | -70.3 | -21 | 0 | 0 | 0 | 111.8 | E648 R649 H655 T656 I712 | E648-N652 WeakPolarHBondContact O-CB 3.49Å; E648-N652 PolarHBondContact O-N 3.43Å; E648-N652 PolarHBondContact O-ND2 3.4Å; R649-N652 PolarHBondContact O-N 2.94Å; N652-H655 PolarHBondContact O-N 2.97Å; N652-T656 WeakPolarHBondContact O-CB 3.33Å; N652-T656 PolarHBondContact O-N 3.34Å; N652-T656 PolarHBondContact O-OG1 3.26Å; N652-I712 HydrophobicContact CB-CG2 3.8Å |
| 653 | K | 85.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 173 | -172.5 | 178.9 | -172.6 | 173 | 0 | 111.3 | D527 T530 R649 L650 L651 T656 Y657 I713 D739 M743 | D527-K653 PolarHBondContact O-NZ 2.8Å; D527-K653 VanDerWaalsContact O-NZ 3.13Å; D527-K653 WeakPolarHBondContact OD1-CD 3.24Å; D527-K653 IonicContact OD1-NZ 3.85Å; D527-K653 PolarHBondContact OD1-NZ 3.13Å; T530-K653 WeakPolarHBondContact O-CE 3.41Å; R649-K653 PolarHBondContact O-N 3.35Å; L650-K653 WeakPolarHBondContact O-CB 3.33Å; L650-K653 PolarHBondContact O-N 3.49Å; L651-K653 VanDerWaalsContact C-N 3.34Å; L651-K653 PolarHBondContact O-N 2.93Å; K653-T656 WeakPolarHBondContact O-CB 3.46Å; K653-T656 PolarHBondContact O-N 2.93Å; K653-Y657 PolarHBondContact O-N 3.31Å; K653-Y657 VanDerWaalsContact O-N 3.11Å; K653-I713 HydrophobicContact CB-CG2 4.19Å; K653-I713 HydrophobicContact CD-CG2 4.16Å; K653-I713 HydrophobicContact CG-CG2 4Å; K653-D739 IonicContact NZ-OD2 3.45Å; K653-D739 PolarHBondContact NZ-OD2 3.44Å; K653-M743 WeakPolarHBondContact O-CE 3.46Å |
| 654 | V | 85.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | L536 F539 L540 Y628 L650 L651 T656 Y657 E658 | L536-V654 HydrophobicContact CD2-CG2 4.1Å; F539-V654 HydrophobicContact CD1-CG2 3.87Å; F539-V654 HydrophobicContact CE1-CG2 3.96Å; L540-V654 HydrophobicContact CD2-CG1 3.69Å; L540-V654 HydrophobicContact CG-CG1 4.4Å; Y628-V654 HydrophobicContact CD2-CG1 3.94Å; Y628-V654 HydrophobicContact CE2-CB 4.41Å; Y628-V654 HydrophobicContact CE2-CG1 3.72Å; L650-V654 WeakPolarHBondContact O-CG2 3.49Å; L650-V654 PolarHBondContact O-N 3.28Å; L651-V654 PolarHBondContact O-N 2.93Å; V654-T656 VanDerWaalsContact C-N 3.31Å; V654-T656 PolarHBondContact O-N 2.85Å; V654-Y657 WeakPolarHBondContact O-CB 3.37Å; V654-Y657 PolarHBondContact O-N 3.11Å; V654-Y657 VanDerWaalsContact O-N 3.11Å; V654-E658 PolarHBondContact O-N 3.03Å |
| 655 | H | 88.1 | Confident | 85 | Confident | 74 Ų | 74 | 35.8 Ų | 35.8 | 34% | 0.343 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 175.9 | -178.7 | 54 | 0 | 0 | 0 | 111.9 | L651 N652 Y657 E658 L659 | L651-H655 VanDerWaalsContact O-CB 3.24Å; L651-H655 WeakPolarHBondContact O-CB 3.35Å; L651-H655 PolarHBondContact O-N 3.22Å; N652-H655 PolarHBondContact O-N 2.97Å; H655-Y657 VanDerWaalsContact C-N 3.27Å; H655-Y657 PolarHBondContact O-N 3.11Å; H655-E658 IonicContact ND1-OE2 3.4Å; H655-E658 PolarHBondContact O-N 3Å; H655-L659 WeakPolarHBondContact O-CG 3.23Å; H655-L659 PolarHBondContact O-N 3.32Å |
| 656 | T | 86.2 | Confident | 85.3 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 174.2 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | N652 K653 V654 L659 L660 I705 I713 L740 M743 | N652-T656 WeakPolarHBondContact O-CB 3.33Å; N652-T656 PolarHBondContact O-N 3.34Å; N652-T656 PolarHBondContact O-OG1 3.26Å; K653-T656 WeakPolarHBondContact O-CB 3.46Å; K653-T656 PolarHBondContact O-N 2.93Å; V654-T656 VanDerWaalsContact C-N 3.31Å; V654-T656 PolarHBondContact O-N 2.85Å; T656-L659 PolarHBondContact O-N 2.88Å; T656-L660 HydrophobicContact CG2-CD1 4.47Å; T656-L660 WeakPolarHBondContact O-CG 3.48Å; T656-L660 PolarHBondContact O-N 3.5Å; T656-L660 VanDerWaalsContact O-N 3.08Å; T656-I705 HydrophobicContact CG2-CD1 4.17Å; T656-I705 HydrophobicContact CG2-CG2 3.93Å; T656-I713 HydrophobicContact CG2-CD1 4.47Å; T656-L740 HydrophobicContact CG2-CD2 3.95Å; T656-M743 HydrophobicContact CG2-CE 4.31Å |
| 657 | Y | 86.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.3 | -165.8 | -122.1 | 0 | 0 | 0 | 112.9 | L536 N537 L540 K653 V654 H655 L659 L660 L661 M743 | L536-Y657 HydrophobicContact CB-CD1 3.63Å; L536-Y657 HydrophobicContact CB-CE1 3.61Å; L536-Y657 HydrophobicContact CB-CG 4.11Å; L536-Y657 HydrophobicContact CD1-CD1 4.23Å; L536-Y657 HydrophobicContact CD1-CD2 3.81Å; L536-Y657 HydrophobicContact CD1-CE2 4.22Å; L536-Y657 HydrophobicContact CD1-CG 3.82Å; L536-Y657 HydrophobicContact CD2-CD1 4.43Å; L536-Y657 HydrophobicContact CD2-CG 4.41Å; L536-Y657 HydrophobicContact CG-CD1 4.31Å; L536-Y657 HydrophobicContact CG-CG 4.34Å; N537-Y657 PolarHBondContact ND2-OH 3.41Å; N537-Y657 VanDerWaalsContact OD1-CE1 3.3Å; N537-Y657 WeakPolarHBondContact OD1-CE1 3.42Å; N537-Y657 PolarHBondContact OD1-OH 3.34Å; L540-Y657 HydrophobicContact CD1-CD1 3.73Å; L540-Y657 HydrophobicContact CD1-CE1 4.06Å; K653-Y657 PolarHBondContact O-N 3.31Å; K653-Y657 VanDerWaalsContact O-N 3.11Å; V654-Y657 WeakPolarHBondContact O-CB 3.37Å; V654-Y657 PolarHBondContact O-N 3.11Å; V654-Y657 VanDerWaalsContact O-N 3.11Å; H655-Y657 VanDerWaalsContact C-N 3.27Å; H655-Y657 PolarHBondContact O-N 3.11Å; Y657-L659 VanDerWaalsContact C-N 3.32Å; Y657-L659 PolarHBondContact O-N 3.33Å; Y657-L660 PolarHBondContact O-N 3.49Å; Y657-L661 HydrophobicContact CD1-CD1 3.73Å; Y657-L661 HydrophobicContact CD1-CG 4.28Å; Y657-L661 HydrophobicContact CE1-CD1 3.43Å; Y657-L661 VanDerWaalsContact CE1-CD1 3.43Å; Y657-L661 HydrophobicContact CE1-CD2 4.47Å; Y657-L661 HydrophobicContact CE1-CG 4.02Å; Y657-L661 HydrophobicContact CE2-CG 4.47Å; Y657-L661 HydrophobicContact CG-CD1 4.5Å; Y657-L661 WeakPolarHBondContact O-CG 3.23Å; Y657-L661 PolarHBondContact O-N 3.27Å; Y657-M743 VanDerWaalsContact CB-CE 3.44Å; Y657-M743 HydrophobicContact CD2-CB 4.32Å; Y657-M743 HydrophobicContact CD2-CE 3.92Å; Y657-M743 HydrophobicContact CD2-CG 4.3Å; Y657-M743 HydrophobicContact CG-CE 4.08Å |
| 658 | E | 86.8 | Confident | 85.6 | Confident | 60 Ų | 60 | 38.1 Ų | 38.1 | 28% | 0.28 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 175 | -71.7 | 179.2 | 156.4 | 0 | 0 | 111.5 | L540 Y628 V654 H655 L660 L661 E662 | L540-E658 HydrophobicContact CD1-CG 4.25Å; L540-E658 HydrophobicContact CD2-CG 4.1Å; L540-E658 WeakPolarHBondContact CD2-OE1 3.34Å; Y628-E658 WeakPolarHBondContact CE1-OE1 3.32Å; V654-E658 PolarHBondContact O-N 3.03Å; H655-E658 IonicContact ND1-OE2 3.4Å; H655-E658 PolarHBondContact O-N 3Å; E658-L660 VanDerWaalsContact C-N 3.31Å; E658-L660 PolarHBondContact O-N 3.24Å; E658-L661 PolarHBondContact O-N 3.44Å; E658-E662 WeakPolarHBondContact O-CB 3.39Å; E658-E662 PolarHBondContact O-N 2.9Å |
| 659 | L | 85.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.5 | -69.7 | 173.9 | 0 | 0 | 0 | 111.9 | H655 T656 Y657 F663 H698 K701 I705 | H655-L659 WeakPolarHBondContact O-CG 3.23Å; H655-L659 PolarHBondContact O-N 3.32Å; T656-L659 PolarHBondContact O-N 2.88Å; Y657-L659 VanDerWaalsContact C-N 3.32Å; Y657-L659 PolarHBondContact O-N 3.33Å; L659-F663 PolarHBondContact O-N 3.31Å; L659-H698 VanDerWaalsContact CD2-CE1 3.48Å; L659-H698 WeakPolarHBondContact CD2-CE1 3.48Å; L659-K701 HydrophobicContact CD1-CB 4.38Å; L659-K701 HydrophobicContact CD1-CD 4.35Å; L659-I705 HydrophobicContact CD1-CD1 4.11Å |
| 660 | L | 86.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.9 | -38.7 | 176.9 | -69.6 | 170.9 | 0 | 0 | 0 | 112.3 | T656 Y657 E658 E662 F663 P664 L702 M743 L744 C747 L749 | T656-L660 HydrophobicContact CG2-CD1 4.47Å; T656-L660 WeakPolarHBondContact O-CG 3.48Å; T656-L660 PolarHBondContact O-N 3.5Å; T656-L660 VanDerWaalsContact O-N 3.08Å; Y657-L660 PolarHBondContact O-N 3.49Å; E658-L660 VanDerWaalsContact C-N 3.31Å; E658-L660 PolarHBondContact O-N 3.24Å; L660-E662 VanDerWaalsContact C-N 3.32Å; L660-E662 PolarHBondContact O-N 3.15Å; L660-F663 PolarHBondContact O-N 2.88Å; L660-P664 WeakPolarHBondContact O-CD 3.32Å; L660-L702 HydrophobicContact CD2-CD1 4.05Å; L660-L702 HydrophobicContact CD2-CD2 3.75Å; L660-L702 HydrophobicContact CG-CD2 4.14Å; L660-M743 HydrophobicContact CD1-CB 3.87Å; L660-L744 HydrophobicContact CD1-CD2 3.9Å; L660-L744 HydrophobicContact CD2-CD2 3.57Å; L660-L744 HydrophobicContact CG-CD2 4.41Å; L660-C747 HydrophobicContact CB-CB 3.93Å; L660-L749 HydrophobicContact CD2-CD1 4.33Å; L660-L749 HydrophobicContact CD2-CD2 4.22Å |
| 661 | L | 84.8 | Confident | 84.9 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.4 | -28.6 | 175.4 | -74.9 | 176 | 0 | 0 | 0 | 113.2 | L540 I542 Y657 E658 K665 | L540-L661 HydrophobicContact CD1-CD1 4.05Å; I542-L661 HydrophobicContact CD1-CD1 4.02Å; Y657-L661 HydrophobicContact CD1-CD1 3.73Å; Y657-L661 HydrophobicContact CD1-CG 4.28Å; Y657-L661 HydrophobicContact CE1-CD1 3.43Å; Y657-L661 VanDerWaalsContact CE1-CD1 3.43Å; Y657-L661 HydrophobicContact CE1-CD2 4.47Å; Y657-L661 HydrophobicContact CE1-CG 4.02Å; Y657-L661 HydrophobicContact CE2-CG 4.47Å; Y657-L661 HydrophobicContact CG-CD1 4.5Å; Y657-L661 WeakPolarHBondContact O-CG 3.23Å; Y657-L661 PolarHBondContact O-N 3.27Å; E658-L661 PolarHBondContact O-N 3.44Å; L661-K665 WeakPolarHBondContact O-CE 3.35Å |
| 662 | E | 85.7 | Confident | 84.6 | Confident | 82 Ų | 82 | 43.3 Ų | 43.3 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -77 | -32.1 | 176.4 | -167.1 | 176.7 | -176.8 | 0 | 0 | 112 | E658 L660 K665 L666 H698 | E658-E662 WeakPolarHBondContact O-CB 3.39Å; E658-E662 PolarHBondContact O-N 2.9Å; L660-E662 VanDerWaalsContact C-N 3.32Å; L660-E662 PolarHBondContact O-N 3.15Å; E662-K665 WeakPolarHBondContact O-CA 3.49Å; E662-K665 VanDerWaalsContact O-CB 3.31Å; E662-K665 WeakPolarHBondContact O-CB 3.42Å; E662-K665 PolarHBondContact O-N 3.5Å; E662-L666 HydrophobicContact CG-CD1 4.15Å; E662-L666 HydrophobicContact CG-CG 4.13Å; E662-L666 PolarHBondContact O-N 2.99Å; E662-H698 IonicContact OE2-CE1 3.99Å; E662-H698 PolarHBondContact OE2-CE1 3.26Å; E662-H698 IonicContact OE2-NE2 3.43Å |
| 663 | F | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.3 | -51.5 | -173.6 | -177.1 | -97.7 | 0 | 0 | 0 | 114.3 | L659 L660 K665 L666 V667 L695 L699 L749 L753 L756 | L659-F663 PolarHBondContact O-N 3.31Å; L660-F663 PolarHBondContact O-N 2.88Å; F663-K665 PolarHBondContact O-N 3.49Å; F663-L666 WeakPolarHBondContact O-CB 3.44Å; F663-L666 PolarHBondContact O-N 3.48Å; F663-V667 HydrophobicContact CD1-CG2 4.26Å; F663-V667 HydrophobicContact CE1-CG2 3.88Å; F663-V667 HydrophobicContact CE2-CG2 4.47Å; F663-V667 HydrophobicContact CZ-CG2 3.99Å; F663-V667 WeakPolarHBondContact O-CG2 3.22Å; F663-V667 PolarHBondContact O-N 3.44Å; F663-L695 HydrophobicContact CD2-CD2 4.23Å; F663-L695 HydrophobicContact CE2-CD2 3.94Å; F663-L699 HydrophobicContact CE2-CD2 3.72Å; F663-L699 HydrophobicContact CE2-CG 4.13Å; F663-L699 HydrophobicContact CZ-CD2 4Å; F663-L749 HydrophobicContact CD1-CD1 3.51Å; F663-L749 HydrophobicContact CE1-CD1 3.65Å; F663-L749 HydrophobicContact CG-CD1 4.23Å; F663-L749 HydrophobicContact CZ-CD1 4.45Å; F663-L753 HydrophobicContact CE1-CD2 4.07Å; F663-L753 HydrophobicContact CE1-CG 4.26Å; F663-L753 HydrophobicContact CZ-CD2 3.72Å; F663-L753 HydrophobicContact CZ-CG 4.41Å; F663-L756 HydrophobicContact CE2-CD2 4.47Å; F663-L756 HydrophobicContact CZ-CD2 3.97Å |
| 664 | P | 87.2 | Confident | 83 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -30.8 | 175.2 | -21.8 | 30.7 | 0 | 0 | 0 | 113.1 | L660 N668 C747 | L660-P664 WeakPolarHBondContact O-CD 3.32Å; P664-N668 WeakPolarHBondContact O-CB 3.38Å; P664-N668 PolarHBondContact O-N 3.32Å; P664-N668 PolarHBondContact O-ND2 3.21Å; P664-C747 WeakPolarHBondContact CG-O 3.5Å |
| 665 | K | 86.1 | Confident | 82.2 | Confident | 136 Ų | 136 | 49.8 Ų | 49.8 | 59% | 0.591 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -69.5 | -37.7 | 176.3 | -57.7 | 174.9 | -173.8 | 167.7 | 0 | 110.9 | L661 E662 F663 R669 | L661-K665 WeakPolarHBondContact O-CE 3.35Å; E662-K665 WeakPolarHBondContact O-CA 3.49Å; E662-K665 VanDerWaalsContact O-CB 3.31Å; E662-K665 WeakPolarHBondContact O-CB 3.42Å; E662-K665 PolarHBondContact O-N 3.5Å; F663-K665 PolarHBondContact O-N 3.49Å; K665-R669 WeakPolarHBondContact O-CB 3.01Å; K665-R669 VanDerWaalsContact O-CG 3.25Å; K665-R669 WeakPolarHBondContact O-CG 3.21Å; K665-R669 PolarHBondContact O-N 3.21Å |
| 666 | L | 85.4 | Confident | 81 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -43.5 | 175 | -66.5 | 171.9 | 0 | 0 | 0 | 111.5 | E662 F663 R669 L670 L691 I694 L695 | E662-L666 HydrophobicContact CG-CD1 4.15Å; E662-L666 HydrophobicContact CG-CG 4.13Å; E662-L666 PolarHBondContact O-N 2.99Å; F663-L666 WeakPolarHBondContact O-CB 3.44Å; F663-L666 PolarHBondContact O-N 3.48Å; L666-R669 WeakPolarHBondContact O-CB 3.49Å; L666-R669 PolarHBondContact O-N 3.43Å; L666-L670 PolarHBondContact O-N 3.42Å; L666-L691 HydrophobicContact CD2-CD2 4.3Å; L666-I694 HydrophobicContact CD1-CG2 3.94Å; L666-I694 HydrophobicContact CD2-CG2 4.25Å; L666-L695 HydrophobicContact CB-CD2 3.78Å; L666-L695 HydrophobicContact CD1-CD2 4.32Å |
| 667 | V | 84.4 | Confident | 79.4 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | F663 R669 L670 Q671 L756 | F663-V667 HydrophobicContact CD1-CG2 4.26Å; F663-V667 HydrophobicContact CE1-CG2 3.88Å; F663-V667 HydrophobicContact CE2-CG2 4.47Å; F663-V667 HydrophobicContact CZ-CG2 3.99Å; F663-V667 WeakPolarHBondContact O-CG2 3.22Å; F663-V667 PolarHBondContact O-N 3.44Å; V667-R669 VanDerWaalsContact C-N 3.33Å; V667-R669 PolarHBondContact O-N 3.38Å; V667-L670 WeakPolarHBondContact O-CB 3.45Å; V667-L670 PolarHBondContact O-N 2.81Å; V667-L670 VanDerWaalsContact O-N 3.15Å; V667-Q671 PolarHBondContact O-N 2.88Å; V667-L756 HydrophobicContact CG1-CB 4.19Å; V667-L756 HydrophobicContact CG2-CB 4.22Å; V667-L756 HydrophobicContact CG2-CD1 4.36Å; V667-L756 HydrophobicContact CG2-CD2 4.45Å |
| 668 | N | 83.7 | Confident | 77.6 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -33.6 | 176.5 | -77.3 | -39 | 0 | 0 | 0 | 113.6 | P664 K672 | P664-N668 WeakPolarHBondContact O-CB 3.38Å; P664-N668 PolarHBondContact O-N 3.32Å; P664-N668 PolarHBondContact O-ND2 3.21Å; N668-K672 WeakPolarHBondContact O-CG 3.3Å; N668-K672 PolarHBondContact O-N 2.99Å |
| 669 | R | 82.3 | Confident | 75.6 | Confident | 131 Ų | 131 | 63.4 Ų | 63.4 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 173.5 | -78.1 | 170.9 | 68.3 | -176.9 | 2.4 | 111 | K665 L666 V667 K672 I673 | K665-R669 WeakPolarHBondContact O-CB 3.01Å; K665-R669 VanDerWaalsContact O-CG 3.25Å; K665-R669 WeakPolarHBondContact O-CG 3.21Å; K665-R669 PolarHBondContact O-N 3.21Å; L666-R669 WeakPolarHBondContact O-CB 3.49Å; L666-R669 PolarHBondContact O-N 3.43Å; V667-R669 VanDerWaalsContact C-N 3.33Å; V667-R669 PolarHBondContact O-N 3.38Å; R669-K672 PolarHBondContact O-N 3.44Å; R669-I673 WeakPolarHBondContact O-CD1 3.03Å; R669-I673 VanDerWaalsContact O-CG1 3.28Å; R669-I673 WeakPolarHBondContact O-CG1 2.84Å; R669-I673 PolarHBondContact O-N 3.18Å; R669-I673 VanDerWaalsContact O-N 3.13Å |
| 670 | L | 76 | Confident | 74 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 175.6 | -172.2 | 140.5 | 0 | 0 | 0 | 110.9 | L666 V667 K672 I673 T674 Q692 L695 L756 I763 | L666-L670 PolarHBondContact O-N 3.42Å; V667-L670 WeakPolarHBondContact O-CB 3.45Å; V667-L670 PolarHBondContact O-N 2.81Å; V667-L670 VanDerWaalsContact O-N 3.15Å; L670-K672 PolarHBondContact O-N 3.12Å; L670-I673 PolarHBondContact O-N 3.03Å; L670-T674 WeakPolarHBondContact O-CB 2.91Å; L670-T674 PolarHBondContact O-N 3.23Å; L670-T674 PolarHBondContact O-OG1 3.4Å; L670-Q692 HydrophobicContact CD1-CG 4.16Å; L670-L695 HydrophobicContact CD1-CD1 3.62Å; L670-L756 HydrophobicContact CD2-CD1 4.46Å; L670-I763 HydrophobicContact CD2-CD1 4.41Å |
| 671 | Q | 76.2 | Confident | 72.3 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 29% | 0.29 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.4 | -51.9 | 174.7 | -170.2 | 178.4 | -13.6 | 0 | 0 | 112.1 | V667 I673 T674 E675 | V667-Q671 PolarHBondContact O-N 2.88Å; Q671-I673 VanDerWaalsContact C-N 3.28Å; Q671-I673 PolarHBondContact O-N 2.92Å; Q671-T674 WeakPolarHBondContact O-CB 3.13Å; Q671-T674 PolarHBondContact O-N 3.19Å; Q671-T674 VanDerWaalsContact O-N 3.13Å; Q671-E675 WeakPolarHBondContact CG-OE1 2.9Å; Q671-E675 PolarHBondContact NE2-OE1 3.09Å; Q671-E675 WeakPolarHBondContact O-CG 3.44Å; Q671-E675 PolarHBondContact O-N 3.32Å |
| 672 | K | 77.7 | Confident | 70.8 | Confident | 135 Ų | 135 | 78.1 Ų | 78.1 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61 | -35.1 | -179.9 | -73.9 | 178.3 | -179.1 | -177.1 | 0 | 113.4 | N668 R669 L670 Q676 | N668-K672 WeakPolarHBondContact O-CG 3.3Å; N668-K672 PolarHBondContact O-N 2.99Å; R669-K672 PolarHBondContact O-N 3.44Å; L670-K672 PolarHBondContact O-N 3.12Å; K672-Q676 WeakPolarHBondContact O-CG 3.07Å; K672-Q676 PolarHBondContact O-N 2.88Å |
| 673 | I | 72.3 | Confident | 69.6 | Low | 26 Ų | 26 | 80.3 Ų | 80.3 | 13% | 0.133 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -75.3 | -36 | 178.3 | -67.8 | 164.3 | 0 | 0 | 0 | 110.5 | R669 L670 Q671 Q676 Q677 I688 L691 | R669-I673 WeakPolarHBondContact O-CD1 3.03Å; R669-I673 VanDerWaalsContact O-CG1 3.28Å; R669-I673 WeakPolarHBondContact O-CG1 2.84Å; R669-I673 PolarHBondContact O-N 3.18Å; R669-I673 VanDerWaalsContact O-N 3.13Å; L670-I673 PolarHBondContact O-N 3.03Å; Q671-I673 VanDerWaalsContact C-N 3.28Å; Q671-I673 PolarHBondContact O-N 2.92Å; I673-Q676 PolarHBondContact O-N 3.17Å; I673-Q677 WeakPolarHBondContact O-CG 3.18Å; I673-Q677 PolarHBondContact O-N 3.09Å; I673-I688 HydrophobicContact CG2-CD1 3.9Å; I673-I688 HydrophobicContact CG2-CG1 3.47Å; I673-I688 VanDerWaalsContact CG2-CG1 3.47Å; I673-L691 HydrophobicContact CD1-CD1 3.19Å |
| 674 | T | 67 | Low | 68.2 | Low | 42 Ų | 42 | 81.3 Ų | 81.3 | 26% | 0.258 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 174.9 | -50.7 | 0 | 0 | 0 | 0 | 110.6 | L670 Q671 Q676 Q677 I763 | L670-T674 WeakPolarHBondContact O-CB 2.91Å; L670-T674 PolarHBondContact O-N 3.23Å; L670-T674 PolarHBondContact O-OG1 3.4Å; Q671-T674 WeakPolarHBondContact O-CB 3.13Å; Q671-T674 PolarHBondContact O-N 3.19Å; Q671-T674 VanDerWaalsContact O-N 3.13Å; T674-Q676 VanDerWaalsContact C-N 3.25Å; T674-Q676 PolarHBondContact O-N 2.83Å; T674-Q677 WeakPolarHBondContact O-CB 3.38Å; T674-Q677 PolarHBondContact O-N 3.38Å; T674-Q677 VanDerWaalsContact O-N 3.07Å; T674-I763 HydrophobicContact CG2-CD1 4Å; T674-I763 HydrophobicContact CG2-CG1 3.73Å |
| 675 | E | 67.8 | Low | 67 | Low | 116 Ų | 116 | 81.8 Ų | 81.8 | 54% | 0.542 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -29.2 | 174.8 | -71.1 | 170 | -174.7 | 0 | 0 | 112.8 | Q671 Q677 | Q671-E675 WeakPolarHBondContact CG-OE1 2.9Å; Q671-E675 PolarHBondContact NE2-OE1 3.09Å; Q671-E675 WeakPolarHBondContact O-CG 3.44Å; Q671-E675 PolarHBondContact O-N 3.32Å; E675-Q677 VanDerWaalsContact C-N 3.33Å |
| 676 | Q | 62.5 | Low | 66.1 | Low | 125 Ų | 125 | 83 Ų | 83 | 58% | 0.584 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -75.9 | -16.1 | 175.2 | -74.9 | 170.9 | 9.4 | 0 | 0 | 113.8 | K672 I673 T674 L678 S679 | K672-Q676 WeakPolarHBondContact O-CG 3.07Å; K672-Q676 PolarHBondContact O-N 2.88Å; I673-Q676 PolarHBondContact O-N 3.17Å; T674-Q676 VanDerWaalsContact C-N 3.25Å; T674-Q676 PolarHBondContact O-N 2.83Å; Q676-L678 PolarHBondContact O-N 3.49Å; Q676-S679 PolarHBondContact O-N 2.86Å; Q676-S679 PolarHBondContact O-OG 2.95Å |
| 677 | Q | 52.6 | Low | 65.5 | Low | 50 Ų | 50 | 88.9 Ų | 88.9 | 23% | 0.234 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -69.9 | -11.1 | -176.9 | -79.1 | -104.1 | -34.8 | 0 | 0 | 114.6 | I673 T674 E675 S679 G680 S684 I688 | I673-Q677 WeakPolarHBondContact O-CG 3.18Å; I673-Q677 PolarHBondContact O-N 3.09Å; T674-Q677 WeakPolarHBondContact O-CB 3.38Å; T674-Q677 PolarHBondContact O-N 3.38Å; T674-Q677 VanDerWaalsContact O-N 3.07Å; E675-Q677 VanDerWaalsContact C-N 3.33Å; Q677-S679 PolarHBondContact O-N 3Å; Q677-G680 PolarHBondContact O-N 3.04Å; Q677-S684 PolarHBondContact NE2-OG 3.24Å; Q677-I688 HydrophobicContact CG-CD1 4.08Å |
| 678 | L | 49.9 | Very low | 64.8 | Low | 175 Ų | 175 | 89.4 Ų | 89.4 | 92% | 0.916 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -57.2 | -2.1 | 161.4 | -82.2 | 148.4 | 0 | 0 | 0 | 113 | Q676 | Q676-L678 PolarHBondContact O-N 3.49Š|
| 679 | S | 45 | Very low | 64.2 | Low | 75 Ų | 75 | 88.6 Ų | 88.6 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -126.2 | 52.9 | 174.1 | 68.6 | 0 | 0 | 0 | 0 | 115.1 | Q676 Q677 N681 | Q676-S679 PolarHBondContact O-N 2.86Å; Q676-S679 PolarHBondContact O-OG 2.95Å; Q677-S679 PolarHBondContact O-N 3Å; S679-N681 VanDerWaalsContact C-N 3.35Å; S679-N681 PolarHBondContact O-N 3.4Å |
| 680 | G | 51.1 | Low | 63.9 | Low | 73 Ų | 73 | 88.7 Ų | 88.7 | 75% | 0.753 | 45% | 0.451 | S | S | * | . | trans | 42.4 | 26.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | Q677 | Q677-G680 PolarHBondContact O-N 3.04Š| ||
| 681 | N | 52.6 | Low | 64.1 | Low | 111 Ų | 111 | 89 Ų | 89 | 59% | 0.594 | 45% | 0.453 | S | S | * | . | trans | -104.3 | 124 | -174.2 | -92.1 | -34.1 | 0 | 0 | 0 | 114 | S679 D683 S684 | S679-N681 VanDerWaalsContact C-N 3.35Å; S679-N681 PolarHBondContact O-N 3.4Å; N681-D683 VanDerWaalsContact C-N 3.32Å; N681-D683 PolarHBondContact O-N 3.11Å; N681-S684 WeakPolarHBondContact O-CB 3.07Å; N681-S684 PolarHBondContact O-N 3.28Å; N681-S684 VanDerWaalsContact O-N 3.07Å; N681-S684 PolarHBondContact O-OG 3.16Å | ||
| 682 | Y | 53.3 | Low | 64.2 | Low | 180 Ų | 180 | 86.1 Ų | 86.1 | 71% | 0.706 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -56.7 | -34.9 | 178.3 | -70 | -83.3 | 0 | 0 | 0 | 115 | S684 L685 | Y682-S684 PolarHBondContact O-N 3.24Å; Y682-L685 PolarHBondContact O-N 3.03Å |
| 683 | D | 59 | Low | 64.3 | Low | 127 Ų | 127 | 83.3 Ų | 83.3 | 68% | 0.679 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.7 | -23.4 | 178.1 | -80 | -11.9 | 0 | 0 | 0 | 113.1 | N681 | N681-D683 VanDerWaalsContact C-N 3.32Å; N681-D683 PolarHBondContact O-N 3.11Å |
| 684 | S | 60.4 | Low | 64.9 | Low | 22 Ų | 22 | 84.6 Ų | 84.6 | 15% | 0.154 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -75.8 | -31.3 | 178.6 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | Q677 N681 Y682 K687 I688 | Q677-S684 PolarHBondContact NE2-OG 3.24Å; N681-S684 WeakPolarHBondContact O-CB 3.07Å; N681-S684 PolarHBondContact O-N 3.28Å; N681-S684 VanDerWaalsContact O-N 3.07Å; N681-S684 PolarHBondContact O-OG 3.16Å; Y682-S684 PolarHBondContact O-N 3.24Å; S684-K687 PolarHBondContact O-N 3.5Å; S684-I688 VanDerWaalsContact O-CG1 3.27Å; S684-I688 WeakPolarHBondContact O-CG1 3.45Å; S684-I688 PolarHBondContact O-N 3.21Å |
| 685 | L | 61.9 | Low | 65.7 | Low | 38 Ų | 38 | 82.6 Ų | 82.6 | 20% | 0.199 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.6 | -72.3 | 172.5 | 0 | 0 | 0 | 112.6 | Y682 K687 I688 L689 | Y682-L685 PolarHBondContact O-N 3.03Å; L685-K687 VanDerWaalsContact C-N 3.33Å; L685-K687 PolarHBondContact O-N 3.26Å; L685-I688 PolarHBondContact O-N 3.15Å; L685-L689 PolarHBondContact O-N 3.29Å |
| 686 | F | 67.1 | Low | 66.4 | Low | 162 Ų | 162 | 78.5 Ų | 78.5 | 71% | 0.711 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 175.6 | -94.1 | -79.9 | 0 | 0 | 0 | 111.9 | I688 L689 E690 | F686-I688 VanDerWaalsContact C-N 3.33Å; F686-I688 PolarHBondContact O-N 3.42Å; F686-L689 PolarHBondContact O-N 3.28Å; F686-E690 PolarHBondContact O-N 3.19Å |
| 687 | K | 72 | Confident | 67.6 | Low | 126 Ų | 126 | 77.2 Ų | 77.2 | 55% | 0.548 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 175.8 | -70.2 | 176.9 | -178.3 | 174.6 | 0 | 112.1 | S684 L685 L691 | S684-K687 PolarHBondContact O-N 3.5Å; L685-K687 VanDerWaalsContact C-N 3.33Å; L685-K687 PolarHBondContact O-N 3.26Å; K687-L691 WeakPolarHBondContact O-CB 2.99Å; K687-L691 VanDerWaalsContact O-CG 3.3Å; K687-L691 WeakPolarHBondContact O-CG 3.21Å; K687-L691 PolarHBondContact O-N 3.44Å; K687-L691 VanDerWaalsContact O-N 3.08Å |
| 688 | I | 70.2 | Confident | 69.3 | Low | 15 Ų | 15 | 75.5 Ų | 75.5 | 8% | 0.077 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 173.9 | -68.5 | 164.8 | 0 | 0 | 0 | 109.9 | I673 Q677 S684 L685 F686 E690 L691 Q692 L781 | I673-I688 HydrophobicContact CG2-CD1 3.9Å; I673-I688 HydrophobicContact CG2-CG1 3.47Å; I673-I688 VanDerWaalsContact CG2-CG1 3.47Å; Q677-I688 HydrophobicContact CG-CD1 4.08Å; S684-I688 VanDerWaalsContact O-CG1 3.27Å; S684-I688 WeakPolarHBondContact O-CG1 3.45Å; S684-I688 PolarHBondContact O-N 3.21Å; L685-I688 PolarHBondContact O-N 3.15Å; F686-I688 VanDerWaalsContact C-N 3.33Å; F686-I688 PolarHBondContact O-N 3.42Å; I688-E690 VanDerWaalsContact C-N 3.34Å; I688-E690 PolarHBondContact O-N 2.88Å; I688-L691 PolarHBondContact O-N 3.2Å; I688-Q692 HydrophobicContact CG2-CG 4.04Å; I688-Q692 VanDerWaalsContact CG2-NE2 3.34Å; I688-Q692 WeakPolarHBondContact O-CB 3.46Å; I688-Q692 VanDerWaalsContact O-CG 3.22Å; I688-Q692 WeakPolarHBondContact O-CG 3.43Å; I688-Q692 PolarHBondContact O-N 2.85Å; I688-L781 HydrophobicContact CG2-CD1 4.1Å |
| 689 | L | 71.2 | Confident | 71.1 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 35% | 0.346 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -44 | -179.5 | -118.5 | 110.5 | 0 | 0 | 0 | 112.6 | L685 F686 Q692 Q693 L781 L784 | L685-L689 PolarHBondContact O-N 3.29Å; F686-L689 PolarHBondContact O-N 3.28Å; L689-Q692 PolarHBondContact O-N 3.36Å; L689-Q693 WeakPolarHBondContact O-CG 3.45Å; L689-Q693 PolarHBondContact O-N 2.97Å; L689-Q693 VanDerWaalsContact O-N 3.1Å; L689-L781 HydrophobicContact CD1-CD1 4.44Å; L689-L784 HydrophobicContact CD2-CD1 3.78Å; L689-L784 HydrophobicContact CG-CD1 3.87Å |
| 690 | E | 77.2 | Confident | 73.1 | Confident | 133 Ų | 133 | 65.4 Ų | 65.4 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.3 | -45.5 | 177.4 | -170.5 | 178.9 | -176.4 | 0 | 0 | 111.4 | F686 I688 Q692 Q693 I694 | F686-E690 PolarHBondContact O-N 3.19Å; I688-E690 VanDerWaalsContact C-N 3.34Å; I688-E690 PolarHBondContact O-N 2.88Å; E690-Q692 PolarHBondContact O-N 3.05Å; E690-Q693 PolarHBondContact O-N 3.36Å; E690-I694 HydrophobicContact CG-CD1 4.27Å; E690-I694 VanDerWaalsContact O-CG1 3.29Å; E690-I694 WeakPolarHBondContact O-CG1 3.43Å; E690-I694 PolarHBondContact O-N 3.41Å |
| 691 | L | 78.5 | Confident | 74.8 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 177.3 | -77.6 | 172.8 | 0 | 0 | 0 | 113 | L666 I673 K687 I688 I694 L695 | L666-L691 HydrophobicContact CD2-CD2 4.3Å; I673-L691 HydrophobicContact CD1-CD1 3.19Å; K687-L691 WeakPolarHBondContact O-CB 2.99Å; K687-L691 VanDerWaalsContact O-CG 3.3Å; K687-L691 WeakPolarHBondContact O-CG 3.21Å; K687-L691 PolarHBondContact O-N 3.44Å; K687-L691 VanDerWaalsContact O-N 3.08Å; I688-L691 PolarHBondContact O-N 3.2Å; L691-I694 WeakPolarHBondContact O-CB 3.33Å; L691-I694 PolarHBondContact O-N 3.32Å; L691-L695 WeakPolarHBondContact O-CG 3.32Å; L691-L695 PolarHBondContact O-N 3.43Å |
| 692 | Q | 78.8 | Confident | 76.4 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 178.6 | -72.5 | -179 | -11.3 | 0 | 0 | 111.7 | L670 I688 L689 E690 I694 L695 I696 L784 I788 | L670-Q692 HydrophobicContact CD1-CG 4.16Å; I688-Q692 HydrophobicContact CG2-CG 4.04Å; I688-Q692 VanDerWaalsContact CG2-NE2 3.34Å; I688-Q692 WeakPolarHBondContact O-CB 3.46Å; I688-Q692 VanDerWaalsContact O-CG 3.22Å; I688-Q692 WeakPolarHBondContact O-CG 3.43Å; I688-Q692 PolarHBondContact O-N 2.85Å; L689-Q692 PolarHBondContact O-N 3.36Å; E690-Q692 PolarHBondContact O-N 3.05Å; Q692-I694 VanDerWaalsContact C-N 3.33Å; Q692-I694 PolarHBondContact O-N 3.21Å; Q692-L695 WeakPolarHBondContact O-CB 3.43Å; Q692-L695 PolarHBondContact O-N 3.2Å; Q692-I696 WeakPolarHBondContact O-CG1 3.43Å; Q692-I696 PolarHBondContact O-N 3.31Å; Q692-L784 HydrophobicContact CB-CD2 3.2Å; Q692-L784 HydrophobicContact CG-CD2 4.14Å; Q692-I788 HydrophobicContact CB-CD1 3.55Å; Q692-I788 HydrophobicContact CB-CG1 4.42Å; Q692-I788 HydrophobicContact CG-CD1 3.43Å; Q692-I788 VanDerWaalsContact CG-CD1 3.43Å |
| 693 | Q | 79.8 | Confident | 78 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 173.2 | -73.5 | -63.6 | -19.7 | 0 | 0 | 112.7 | L689 E690 N697 L784 | L689-Q693 WeakPolarHBondContact O-CG 3.45Å; L689-Q693 PolarHBondContact O-N 2.97Å; L689-Q693 VanDerWaalsContact O-N 3.1Å; E690-Q693 PolarHBondContact O-N 3.36Å; Q693-N697 PolarHBondContact O-N 3.28Å; Q693-N697 VanDerWaalsContact O-N 3.12Å; Q693-N697 PolarHBondContact O-ND2 2.83Å; Q693-N697 VanDerWaalsContact O-ND2 3.17Å; Q693-L784 HydrophobicContact CG-CD1 4.44Å |
| 694 | I | 84.3 | Confident | 79.3 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 171.2 | -66.8 | 164.4 | 0 | 0 | 0 | 109.7 | L666 E690 L691 Q692 I696 N697 H698 | L666-I694 HydrophobicContact CD1-CG2 3.94Å; L666-I694 HydrophobicContact CD2-CG2 4.25Å; E690-I694 HydrophobicContact CG-CD1 4.27Å; E690-I694 VanDerWaalsContact O-CG1 3.29Å; E690-I694 WeakPolarHBondContact O-CG1 3.43Å; E690-I694 PolarHBondContact O-N 3.41Å; L691-I694 WeakPolarHBondContact O-CB 3.33Å; L691-I694 PolarHBondContact O-N 3.32Å; Q692-I694 VanDerWaalsContact C-N 3.33Å; Q692-I694 PolarHBondContact O-N 3.21Å; I694-I696 PolarHBondContact O-N 3.04Å; I694-N697 PolarHBondContact O-N 2.7Å; I694-H698 PolarHBondContact O-CD2 3.45Å; I694-H698 PolarHBondContact O-N 3.35Å |
| 695 | L | 84 | Confident | 80.4 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 178.2 | -75.4 | 166.9 | 0 | 0 | 0 | 112.9 | F663 L666 L670 L691 Q692 N697 H698 L699 L756 | F663-L695 HydrophobicContact CD2-CD2 4.23Å; F663-L695 HydrophobicContact CE2-CD2 3.94Å; L666-L695 HydrophobicContact CB-CD2 3.78Å; L666-L695 HydrophobicContact CD1-CD2 4.32Å; L670-L695 HydrophobicContact CD1-CD1 3.62Å; L691-L695 WeakPolarHBondContact O-CG 3.32Å; L691-L695 PolarHBondContact O-N 3.43Å; Q692-L695 WeakPolarHBondContact O-CB 3.43Å; Q692-L695 PolarHBondContact O-N 3.2Å; L695-N697 VanDerWaalsContact C-N 3.33Å; L695-N697 PolarHBondContact O-N 3.42Å; L695-H698 PolarHBondContact O-N 2.77Å; L695-L699 WeakPolarHBondContact O-CG 3.23Å; L695-L699 PolarHBondContact O-N 3.48Å; L695-L756 HydrophobicContact CD1-CD1 4.26Å |
| 696 | I | 83.3 | Confident | 81.3 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 176.7 | -65.9 | 165.7 | 0 | 0 | 0 | 110.5 | Q692 I694 H698 L699 G700 L784 Q787 I788 | Q692-I696 WeakPolarHBondContact O-CG1 3.43Å; Q692-I696 PolarHBondContact O-N 3.31Å; I694-I696 PolarHBondContact O-N 3.04Å; I696-H698 VanDerWaalsContact C-N 3.33Å; I696-H698 PolarHBondContact O-N 3.04Å; I696-L699 PolarHBondContact O-N 3.11Å; I696-G700 PolarHBondContact O-N 3.36Å; I696-L784 HydrophobicContact CD1-CD2 3.9Å; I696-Q787 HydrophobicContact CD1-CB 3.82Å; I696-I788 HydrophobicContact CD1-CG1 3.98Å; I696-I788 HydrophobicContact CG1-CB 4.49Å; I696-I788 HydrophobicContact CG1-CG1 3.68Å |
| 697 | N | 87.4 | Confident | 82 | Confident | 97 Ų | 97 | 48.9 Ų | 48.9 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.4 | -37 | 177.6 | -76.2 | -36.5 | 0 | 0 | 0 | 112.4 | Q693 I694 L695 K701 | Q693-N697 PolarHBondContact O-N 3.28Å; Q693-N697 VanDerWaalsContact O-N 3.12Å; Q693-N697 PolarHBondContact O-ND2 2.83Å; Q693-N697 VanDerWaalsContact O-ND2 3.17Å; I694-N697 PolarHBondContact O-N 2.7Å; L695-N697 VanDerWaalsContact C-N 3.33Å; L695-N697 PolarHBondContact O-N 3.42Å; N697-K701 WeakPolarHBondContact O-CB 3.26Å; N697-K701 VanDerWaalsContact O-CG 3.26Å; N697-K701 WeakPolarHBondContact O-CG 3.48Å; N697-K701 PolarHBondContact O-N 2.88Å |
| 698 | H | 88.1 | Confident | 82.3 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 7% | 0.069 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -49.1 | 174.9 | -87.5 | -105.8 | 0 | 0 | 0 | 111.7 | L659 E662 I694 L695 I696 G700 K701 L702 | L659-H698 VanDerWaalsContact CD2-CE1 3.48Å; L659-H698 WeakPolarHBondContact CD2-CE1 3.48Å; E662-H698 IonicContact OE2-CE1 3.99Å; E662-H698 PolarHBondContact OE2-CE1 3.26Å; E662-H698 IonicContact OE2-NE2 3.43Å; I694-H698 PolarHBondContact O-CD2 3.45Å; I694-H698 PolarHBondContact O-N 3.35Å; L695-H698 PolarHBondContact O-N 2.77Å; I696-H698 VanDerWaalsContact C-N 3.33Å; I696-H698 PolarHBondContact O-N 3.04Å; H698-G700 PolarHBondContact O-N 3.48Å; H698-K701 PolarHBondContact O-N 3.44Å; H698-L702 WeakPolarHBondContact O-CG 3.37Å; H698-L702 PolarHBondContact O-N 3.18Å |
| 699 | L | 87.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 178.5 | -69.9 | 170 | 0 | 0 | 0 | 111.6 | F663 L695 I696 K701 L702 K703 L753 I788 S791 I792 L795 | F663-L699 HydrophobicContact CE2-CD2 3.72Å; F663-L699 HydrophobicContact CE2-CG 4.13Å; F663-L699 HydrophobicContact CZ-CD2 4Å; L695-L699 WeakPolarHBondContact O-CG 3.23Å; L695-L699 PolarHBondContact O-N 3.48Å; I696-L699 PolarHBondContact O-N 3.11Å; L699-K701 PolarHBondContact O-N 3.47Å; L699-L702 PolarHBondContact O-N 2.92Å; L699-K703 PolarHBondContact O-N 2.66Å; L699-L753 HydrophobicContact CD2-CD2 3.9Å; L699-I788 HydrophobicContact CD1-CG2 4.31Å; L699-S791 VanDerWaalsContact CD1-OG 3.24Å; L699-S791 WeakPolarHBondContact CD1-OG 3.43Å; L699-I792 HydrophobicContact CD1-CG1 3.68Å; L699-L795 HydrophobicContact CD2-CD2 3.81Å |
| 700 | G | 87.3 | Confident | 82.8 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 38% | 0.381 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I696 H698 K703 H704 | I696-G700 PolarHBondContact O-N 3.36Å; H698-G700 PolarHBondContact O-N 3.48Å; G700-K703 PolarHBondContact O-N 3.49Å; G700-H704 PolarHBondContact O-N 3.32Å; G700-H704 VanDerWaalsContact O-N 3.07Å |
| 701 | K | 86.9 | Confident | 82.4 | Confident | 102 Ų | 102 | 47.2 Ų | 47.2 | 44% | 0.443 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64 | -45 | 173.3 | -77.3 | 175.2 | -177.4 | -178.5 | 0 | 111.7 | L659 N697 H698 L699 K703 H704 I705 | L659-K701 HydrophobicContact CD1-CB 4.38Å; L659-K701 HydrophobicContact CD1-CD 4.35Å; N697-K701 WeakPolarHBondContact O-CB 3.26Å; N697-K701 VanDerWaalsContact O-CG 3.26Å; N697-K701 WeakPolarHBondContact O-CG 3.48Å; N697-K701 PolarHBondContact O-N 2.88Å; H698-K701 PolarHBondContact O-N 3.44Å; L699-K701 PolarHBondContact O-N 3.47Å; K701-K703 VanDerWaalsContact C-N 3.35Å; K701-K703 PolarHBondContact O-N 3.24Å; K701-H704 PolarHBondContact O-N 2.89Å; K701-I705 WeakPolarHBondContact O-CD1 3.34Å; K701-I705 VanDerWaalsContact O-CG1 3.24Å; K701-I705 WeakPolarHBondContact O-CG1 3.46Å; K701-I705 PolarHBondContact O-N 2.84Å |
| 702 | L | 86 | Confident | 82.1 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 177.3 | -71.4 | 175.6 | 0 | 0 | 0 | 111.2 | L660 H698 L699 H704 I705 F706 L795 | L660-L702 HydrophobicContact CD2-CD1 4.05Å; L660-L702 HydrophobicContact CD2-CD2 3.75Å; L660-L702 HydrophobicContact CG-CD2 4.14Å; H698-L702 WeakPolarHBondContact O-CG 3.37Å; H698-L702 PolarHBondContact O-N 3.18Å; L699-L702 PolarHBondContact O-N 2.92Å; L702-H704 PolarHBondContact O-N 3.09Å; L702-I705 PolarHBondContact O-N 3.07Å; L702-I705 VanDerWaalsContact O-N 3.11Å; L702-F706 WeakPolarHBondContact O-CD2 3.17Å; L702-F706 PolarHBondContact O-N 2.73Å; L702-L795 HydrophobicContact CB-CD1 4.13Å |
| 703 | K | 86.9 | Confident | 81.5 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 20% | 0.2 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55 | -49.9 | 174.6 | -177.6 | -170.4 | -178.7 | -176.2 | 0 | 111.7 | L699 G700 K701 I705 F706 Q707 E794 L795 | L699-K703 PolarHBondContact O-N 2.66Å; G700-K703 PolarHBondContact O-N 3.49Å; K701-K703 VanDerWaalsContact C-N 3.35Å; K701-K703 PolarHBondContact O-N 3.24Å; K703-I705 VanDerWaalsContact C-N 3.27Å; K703-I705 PolarHBondContact O-N 2.93Å; K703-F706 PolarHBondContact O-N 2.97Å; K703-Q707 VanDerWaalsContact CE-NE2 3.35Å; K703-Q707 WeakPolarHBondContact O-CG 3.28Å; K703-Q707 PolarHBondContact O-N 3.41Å; K703-E794 HydrophobicContact CD-CB 4.1Å; K703-E794 IonicContact NZ-OE2 2.8Å; K703-E794 PolarHBondContact NZ-OE2 3.13Å; K703-L795 HydrophobicContact CB-CD1 4.17Å |
| 704 | H | 85.7 | Confident | 80.5 | Confident | 107 Ų | 107 | 44.5 Ų | 44.5 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -36.5 | 178.2 | 178.2 | -86.1 | 0 | 0 | 0 | 112.5 | G700 K701 L702 N708 | G700-H704 PolarHBondContact O-N 3.32Å; G700-H704 VanDerWaalsContact O-N 3.07Å; K701-H704 PolarHBondContact O-N 2.89Å; L702-H704 PolarHBondContact O-N 3.09Å; H704-N708 PolarHBondContact NE2-ND2 3.47Å; H704-N708 WeakPolarHBondContact O-CB 3.41Å; H704-N708 PolarHBondContact O-N 2.96Å |
| 705 | I | 85.1 | Confident | 79.3 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -44.4 | 177.1 | -67.3 | 160.8 | 0 | 0 | 0 | 111 | T656 L659 K701 L702 K703 N708 A709 I712 I713 L740 | T656-I705 HydrophobicContact CG2-CD1 4.17Å; T656-I705 HydrophobicContact CG2-CG2 3.93Å; L659-I705 HydrophobicContact CD1-CD1 4.11Å; K701-I705 WeakPolarHBondContact O-CD1 3.34Å; K701-I705 VanDerWaalsContact O-CG1 3.24Å; K701-I705 WeakPolarHBondContact O-CG1 3.46Å; K701-I705 PolarHBondContact O-N 2.84Å; L702-I705 PolarHBondContact O-N 3.07Å; L702-I705 VanDerWaalsContact O-N 3.11Å; K703-I705 VanDerWaalsContact C-N 3.27Å; K703-I705 PolarHBondContact O-N 2.93Å; I705-N708 CarbonylContact O-C 2.9Å; I705-N708 PolarHBondContact O-N 3.49Å; I705-A709 VanDerWaalsContact O-CA 3.24Å; I705-A709 WeakPolarHBondContact O-CA 3.26Å; I705-A709 PolarHBondContact O-N 3.36Å; I705-I712 HydrophobicContact CG1-CD1 4.42Å; I705-I713 HydrophobicContact CG2-CD1 3.78Å; I705-L740 HydrophobicContact CG2-CD2 4.3Å |
| 706 | F | 80.5 | Confident | 77.7 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 177.3 | -88 | -76.3 | 0 | 0 | 0 | 112.4 | L702 K703 N708 A709 Y737 L740 L744 L795 T798 L799 | L702-F706 WeakPolarHBondContact O-CD2 3.17Å; L702-F706 PolarHBondContact O-N 2.73Å; K703-F706 PolarHBondContact O-N 2.97Å; F706-N708 PolarHBondContact O-N 3.26Å; F706-A709 PolarHBondContact O-N 3.27Å; F706-Y737 VanDerWaalsContact O-CE1 3.23Å; F706-Y737 WeakPolarHBondContact O-CE1 3.43Å; F706-Y737 PolarHBondContact O-OH 3.07Å; F706-L740 HydrophobicContact CD1-CD1 3.96Å; F706-L740 HydrophobicContact CE1-CB 3.86Å; F706-L740 HydrophobicContact CE1-CD1 3.86Å; F706-L740 HydrophobicContact CE1-CG 4.36Å; F706-L740 HydrophobicContact CZ-CB 4.14Å; F706-L740 HydrophobicContact CZ-CD1 4.37Å; F706-L740 HydrophobicContact CZ-CD2 4.39Å; F706-L744 HydrophobicContact CE1-CD1 4.12Å; F706-L744 HydrophobicContact CE2-CD1 4.23Å; F706-L744 HydrophobicContact CE2-CD2 4.02Å; F706-L744 HydrophobicContact CE2-CG 4.45Å; F706-L744 HydrophobicContact CZ-CD1 3.46Å; F706-L744 VanDerWaalsContact CZ-CD1 3.46Å; F706-L744 HydrophobicContact CZ-CD2 3.75Å; F706-L744 HydrophobicContact CZ-CG 3.71Å; F706-L795 HydrophobicContact CD2-CD1 4.22Å; F706-T798 HydrophobicContact CB-CG2 4.28Å; F706-L799 HydrophobicContact CD1-CD2 4.12Å; F706-L799 HydrophobicContact CE1-CD2 3.93Å; F706-L799 HydrophobicContact CZ-CD2 4.26Å |
| 707 | Q | 80.8 | Confident | 76 | Confident | 89 Ų | 89 | 47.2 Ų | 47.2 | 42% | 0.416 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.5 | -32.7 | -179.9 | -68.9 | -177.6 | -15.1 | 0 | 0 | 112.8 | K703 T798 | K703-Q707 VanDerWaalsContact CE-NE2 3.35Å; K703-Q707 WeakPolarHBondContact O-CG 3.28Å; K703-Q707 PolarHBondContact O-N 3.41Å; Q707-T798 HydrophobicContact CG-CG2 3.46Å; Q707-T798 VanDerWaalsContact CG-CG2 3.46Å; Q707-T798 PolarHBondContact NE2-OG1 3.48Å |
| 708 | N | 79.8 | Confident | 74 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 28.2 | -175.4 | -64.4 | -50.3 | 0 | 0 | 0 | 112.9 | H704 I705 F706 E710 Q711 I712 | H704-N708 PolarHBondContact NE2-ND2 3.47Å; H704-N708 WeakPolarHBondContact O-CB 3.41Å; H704-N708 PolarHBondContact O-N 2.96Å; I705-N708 CarbonylContact O-C 2.9Å; I705-N708 PolarHBondContact O-N 3.49Å; F706-N708 PolarHBondContact O-N 3.26Å; N708-E710 VanDerWaalsContact C-N 3.28Å; N708-E710 PolarHBondContact O-N 3.05Å; N708-Q711 HydrophobicContact CB-CB 4.49Å; N708-Q711 CarbonylContact O-C 3.57Å; N708-Q711 WeakPolarHBondContact O-CA 3.41Å; N708-Q711 PolarHBondContact O-N 3.27Å; N708-I712 HydrophobicContact CB-CD1 3.65Å; N708-I712 HydrophobicContact CB-CG1 4.14Å; N708-I712 WeakPolarHBondContact O-CG1 3.38Å; N708-I712 PolarHBondContact O-N 3.08Å |
| 709 | A | 77.7 | Confident | 71.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I705 F706 Q711 I712 I713 A714 P736 Y737 L740 | I705-A709 VanDerWaalsContact O-CA 3.24Å; I705-A709 WeakPolarHBondContact O-CA 3.26Å; I705-A709 PolarHBondContact O-N 3.36Å; F706-A709 PolarHBondContact O-N 3.27Å; A709-Q711 PolarHBondContact O-N 2.93Å; A709-I712 PolarHBondContact O-N 3.18Å; A709-I713 PolarHBondContact O-N 3.43Å; A709-A714 PolarHBondContact O-N 3.38Å; A709-P736 HydrophobicContact CB-CB 4.49Å; A709-P736 HydrophobicContact CB-CG 4.44Å; A709-Y737 HydrophobicContact CB-CD1 4.12Å; A709-Y737 HydrophobicContact CB-CE1 3.71Å; A709-Y737 HydrophobicContact CB-CE2 4.21Å; A709-L740 HydrophobicContact CB-CD1 3.51Å |
| 710 | E | 72.5 | Confident | 69.6 | Low | 127 Ų | 127 | 53.7 Ų | 53.7 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.6 | -29.6 | 174.8 | -63.5 | -171.8 | 170.1 | 0 | 0 | 113.3 | N708 A714 P736 Y737 | N708-E710 VanDerWaalsContact C-N 3.28Å; N708-E710 PolarHBondContact O-N 3.05Å; E710-A714 WeakPolarHBondContact O-CB 3.49Å; E710-P736 HydrophobicContact CG-CG 3.9Å; E710-Y737 HydrophobicContact CG-CE2 4.09Å |
| 711 | Q | 69.5 | Low | 67 | Low | 132 Ų | 132 | 56.5 Ų | 56.5 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -96.6 | -13 | -179 | -60.9 | -178.2 | 19.5 | 0 | 0 | 113.7 | R649 N708 A709 | R649-Q711 PolarHBondContact NH1-O 3.11Å; R649-Q711 PolarHBondContact NH2-O 2.69Å; N708-Q711 HydrophobicContact CB-CB 4.49Å; N708-Q711 CarbonylContact O-C 3.57Å; N708-Q711 WeakPolarHBondContact O-CA 3.41Å; N708-Q711 PolarHBondContact O-N 3.27Å; A709-Q711 PolarHBondContact O-N 2.93Å |
| 712 | I | 73 | Confident | 64.2 | Low | 24 Ų | 24 | 53 Ų | 53 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -109.8 | -41.7 | -175.6 | -64.5 | 168.3 | 0 | 0 | 0 | 111 | R649 N652 I705 N708 A709 | R649-I712 WeakPolarHBondContact CD-O 3.21Å; N652-I712 HydrophobicContact CB-CG2 3.8Å; I705-I712 HydrophobicContact CG1-CD1 4.42Å; N708-I712 HydrophobicContact CB-CD1 3.65Å; N708-I712 HydrophobicContact CB-CG1 4.14Å; N708-I712 WeakPolarHBondContact O-CG1 3.38Å; N708-I712 PolarHBondContact O-N 3.08Å; A709-I712 PolarHBondContact O-N 3.18Å |
| 713 | I | 66.2 | Low | 61.6 | Low | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -31.6 | -170.8 | -61.7 | 175.8 | 0 | 0 | 0 | 112.1 | K653 T656 I705 A709 L740 | K653-I713 HydrophobicContact CB-CG2 4.19Å; K653-I713 HydrophobicContact CD-CG2 4.16Å; K653-I713 HydrophobicContact CG-CG2 4Å; T656-I713 HydrophobicContact CG2-CD1 4.47Å; I705-I713 HydrophobicContact CG2-CD1 3.78Å; A709-I713 PolarHBondContact O-N 3.43Å; I713-L740 HydrophobicContact CD1-CD1 3.94Å; I713-L740 HydrophobicContact CD1-CD2 3.33Å; I713-L740 HydrophobicContact CD1-CG 3.66Å |
| 714 | A | 57.5 | Low | 58.9 | Low | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -52.4 | 149.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A709 E710 Y718 P736 | A709-A714 PolarHBondContact O-N 3.38Å; E710-A714 WeakPolarHBondContact O-CB 3.49Å; A714-Y718 HydrophobicContact CB-CD2 4.33Å; A714-P736 HydrophobicContact CB-CB 4.41Å; A714-P736 HydrophobicContact CB-CG 4.46Å |
| 715 | N | 58.9 | Low | 56.1 | Low | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | trans | -47.4 | 136.3 | -178.2 | -170.6 | -46.8 | 0 | 0 | 0 | 111.6 | R717 Y718 H734 | N715-R717 PolarHBondContact O-N 3.44Å; N715-R717 PolarHBondContact OD1-N 2.94Å; N715-Y718 PolarHBondContact O-N 3.01Å; N715-Y718 VanDerWaalsContact O-N 3.14Å; N715-H734 HydrophobicContact CB-CB 4.2Å | ||
| 716 | P | 51.6 | Low | 53.4 | Low | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -58 | -7.6 | -178.1 | 21.4 | -34.3 | 0 | 0 | 0 | 115.5 | R524 A646 Y718 S719 | R524-P716 HydrophobicContact CG-CG 3.77Å; A646-P716 HydrophobicContact CB-CB 3.73Å; A646-P716 HydrophobicContact CB-CG 4.32Å; P716-Y718 VanDerWaalsContact C-N 3.35Å; P716-S719 PolarHBondContact O-N 3.38Å; P716-S719 PolarHBondContact O-OG 2.88Å |
| 717 | R | 47.7 | Very low | 51 | Low | 121 Ų | 121 | 68.8 Ų | 68.8 | 46% | 0.457 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -56.6 | -42.5 | 168.8 | -75.1 | -169.2 | -172.7 | -174.9 | 5.8 | 113.1 | N715 S719 L720 K730 | N715-R717 PolarHBondContact O-N 3.44Å; N715-R717 PolarHBondContact OD1-N 2.94Å; R717-S719 PolarHBondContact O-N 3.31Å; R717-L720 PolarHBondContact O-N 3.04Å; R717-K730 PolarHBondContact NH1-O 3.29Å |
| 718 | Y | 45.4 | Very low | 48.5 | Very low | 142 Ų | 142 | 67.3 Ų | 67.3 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -66.6 | -18 | -178.8 | -78.1 | -74.5 | 0 | 0 | 0 | 113.4 | A714 N715 P716 | A714-Y718 HydrophobicContact CB-CD2 4.33Å; N715-Y718 PolarHBondContact O-N 3.01Å; N715-Y718 VanDerWaalsContact O-N 3.14Å; P716-Y718 VanDerWaalsContact C-N 3.35Å |
| 719 | S | 43.6 | Very low | 46.2 | Very low | 52 Ų | 52 | 72.1 Ų | 72.1 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -91.6 | -5.3 | -179.3 | 81.7 | 0 | 0 | 0 | 0 | 114.6 | P716 R717 P721 | P716-S719 PolarHBondContact O-N 3.38Å; P716-S719 PolarHBondContact O-OG 2.88Å; R717-S719 PolarHBondContact O-N 3.31Å; S719-P721 VanDerWaalsContact O-CD 3.29Å; S719-P721 WeakPolarHBondContact O-CD 3.27Å |
| 720 | L | 39.6 | Very low | 44.1 | Very low | 55 Ų | 55 | 78.2 Ų | 78.2 | 29% | 0.288 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -62.8 | 123 | 167.3 | -83.6 | 154.9 | 0 | 0 | 0 | 106.6 | R717 C722 | R717-L720 PolarHBondContact O-N 3.04Å; L720-C722 CarbonylContact O-C 3.57Å; L720-C722 PolarHBondContact O-N 2.92Å |
| 721 | P | 32.2 | Very low | 42.2 | Very low | 95 Ų | 95 | 75.5 Ų | 75.5 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -62.1 | 0.5 | -179.2 | -19.8 | 31.6 | 0 | 0 | 0 | 114.2 | S719 P723 | S719-P721 VanDerWaalsContact O-CD 3.29Å; S719-P721 WeakPolarHBondContact O-CD 3.27Å; P721-P723 WeakPolarHBondContact O-CD 3.36Å |
| 722 | C | 28.8 | Very low | 40.7 | Very low | 28 Ų | 28 | 75 Ų | 75 | 19% | 0.189 | 41% | 0.409 | C | S | . | . | trans | -110.5 | 88.4 | 166.7 | -85.9 | 0 | 0 | 0 | 0 | 110.6 | L50 L720 | L50-C722 PolarHBondContact O-SG 3.37Å; L720-C722 CarbonylContact O-C 3.57Å; L720-C722 PolarHBondContact O-N 2.92Å | ||
| 723 | P | 31.5 | Very low | 39.4 | Very low | 99 Ų | 99 | 78.3 Ų | 78.3 | 64% | 0.643 | 43% | 0.434 | S | S | * | . | trans | -71.9 | -13.1 | 157.8 | -7.1 | 23.1 | 0 | 0 | 0 | 111.8 | P721 L725 | P721-P723 WeakPolarHBondContact O-CD 3.36Å; P723-L725 PolarHBondContact O-N 3.37Å | ||
| 724 | L | 28.8 | Very low | 38.9 | Very low | 128 Ų | 128 | 80 Ų | 80 | 67% | 0.67 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6.6 | -163.6 | -115.9 | 136.9 | 0 | 0 | 0 | 116 | ||
| 725 | L | 28.4 | Very low | 39.2 | Very low | 74 Ų | 74 | 83.5 Ų | 83.5 | 39% | 0.387 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 7.9 | -174.6 | -94.9 | -141.8 | 0 | 0 | 0 | 116.4 | D52 E53 P723 | D52-L725 HydrophobicContact CB-CD1 3.1Å; D52-L725 HydrophobicContact CB-CG 3.66Å; E53-L725 HydrophobicContact CB-CD2 4.07Å; E53-L725 HydrophobicContact CG-CD2 3.82Å; P723-L725 PolarHBondContact O-N 3.37Å |
| 726 | L | 28 | Very low | 39.8 | Very low | 81 Ų | 81 | 83.1 Ų | 83.1 | 42% | 0.424 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -107.2 | 106.4 | 173.3 | -74.3 | 158 | 0 | 0 | 0 | 107.3 | G728 K730 | L726-G728 PolarHBondContact O-N 3.32Å; L726-K730 HydrophobicContact CD2-CB 4.24Å; L726-K730 HydrophobicContact CD2-CD 4.19Å |
| 727 | N | 29 | Very low | 41 | Very low | 124 Ų | 124 | 83.9 Ų | 83.9 | 66% | 0.663 | 46% | 0.46 | S | S | * | . | trans | -28.7 | 128.8 | 165 | -76.6 | -8.6 | 0 | 0 | 0 | 108.9 | N729 K730 | N727-N729 PolarHBondContact O-N 3.46Å; N727-K730 PolarHBondContact O-N 2.95Å | ||
| 728 | G | 28.8 | Very low | 42.2 | Very low | 59 Ų | 59 | 78.8 Ų | 78.8 | 61% | 0.608 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -47.6 | -28.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L726 K730 C731 | L726-G728 PolarHBondContact O-N 3.32Å; G728-K730 VanDerWaalsContact C-N 3.3Å; G728-K730 PolarHBondContact O-N 2.94Å; G728-C731 WeakPolarHBondContact O-CB 3.32Å; G728-C731 PolarHBondContact O-N 2.91Å |
| 729 | N | 32.3 | Very low | 43.6 | Very low | 148 Ų | 148 | 72.2 Ų | 72.2 | 79% | 0.791 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -69.3 | -17.4 | 176.4 | -60.9 | 18.9 | 0 | 0 | 0 | 114.9 | N727 I732 | N727-N729 PolarHBondContact O-N 3.46Å; N729-I732 WeakPolarHBondContact O-CG1 3.49Å |
| 730 | K | 33.6 | Very low | 45.4 | Very low | 128 Ų | 128 | 69.8 Ų | 69.8 | 56% | 0.557 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -95.7 | -9.7 | 173.8 | -70.1 | -171.7 | 179 | -178 | 0 | 112.9 | R717 L726 N727 G728 I732 | R717-K730 PolarHBondContact NH1-O 3.29Å; L726-K730 HydrophobicContact CD2-CB 4.24Å; L726-K730 HydrophobicContact CD2-CD 4.19Å; N727-K730 PolarHBondContact O-N 2.95Å; G728-K730 VanDerWaalsContact C-N 3.3Å; G728-K730 PolarHBondContact O-N 2.94Å; K730-I732 PolarHBondContact O-N 3.44Å |
| 731 | C | 32.6 | Very low | 47.4 | Very low | 70 Ų | 70 | 67.2 Ų | 67.2 | 47% | 0.473 | 39% | 0.388 | S | S | . | . | trans | -74.6 | 62.5 | 155.1 | -70.3 | 0 | 0 | 0 | 0 | 108.2 | G728 S733 | G728-C731 WeakPolarHBondContact O-CB 3.32Å; G728-C731 PolarHBondContact O-N 2.91Å; C731-S733 PolarHBondContact O-N 3.43Å | ||
| 732 | I | 37.9 | Very low | 49.5 | Very low | 122 Ų | 122 | 63.4 Ų | 63.4 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | trans | -69 | 82 | 163.4 | -61 | 170.1 | 0 | 0 | 0 | 105.3 | N729 K730 H734 | N729-I732 WeakPolarHBondContact O-CG1 3.49Å; K730-I732 PolarHBondContact O-N 3.44Å; I732-H734 PolarHBondContact O-N 3.31Å | ||
| 733 | S | 45.6 | Very low | 52.1 | Low | 92 Ų | 92 | 62.1 Ų | 62.1 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | trans | 24.8 | 70.8 | 140.3 | 59.5 | 0 | 0 | 0 | 0 | 115 | C731 N735 | C731-S733 PolarHBondContact O-N 3.43Å; S733-N735 PolarHBondContact O-N 3.07Å | ||
| 734 | H | 55.7 | Low | 54.6 | Low | 37 Ų | 37 | 57.4 Ų | 57.4 | 17% | 0.171 | 33% | 0.325 | C | S | . | . | trans | -77.3 | 104.9 | 156.7 | -171.4 | -61.7 | 0 | 0 | 0 | 107.1 | N715 I732 P736 D739 | N715-H734 HydrophobicContact CB-CB 4.2Å; I732-H734 PolarHBondContact O-N 3.31Å; H734-P736 WeakPolarHBondContact O-CD 3.38Å; H734-D739 IonicContact CE1-OD1 3.67Å; H734-D739 IonicContact CE1-OD2 2.72Å; H734-D739 PolarHBondContact CE1-OD2 3.01Å; H734-D739 IonicContact NE2-OD2 2.91Å; H734-D739 PolarHBondContact NE2-OD2 2.99Å | ||
| 735 | N | 63.3 | Low | 57.1 | Low | 78 Ų | 78 | 54 Ų | 54 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | trans | -84.9 | 102.7 | 172.8 | -173.6 | -8.7 | 0 | 0 | 0 | 108.8 | S733 Y737 A738 | S733-N735 PolarHBondContact O-N 3.07Å; N735-Y737 PolarHBondContact O-N 3.36Å; N735-Y737 WeakPolarHBondContact OD1-CB 3.36Å; N735-Y737 PolarHBondContact OD1-N 3.42Å; N735-Y737 VanDerWaalsContact OD1-N 3.09Å; N735-A738 HydrophobicContact CB-CB 4.32Å; N735-A738 PolarHBondContact O-N 3.26Å | ||
| 736 | P | 71.3 | Confident | 59.6 | Low | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -21.1 | -178.8 | 29.8 | -36 | 0 | 0 | 0 | 112.8 | A709 E710 A714 H734 L740 | A709-P736 HydrophobicContact CB-CB 4.49Å; A709-P736 HydrophobicContact CB-CG 4.44Å; E710-P736 HydrophobicContact CG-CG 3.9Å; A714-P736 HydrophobicContact CB-CB 4.41Å; A714-P736 HydrophobicContact CB-CG 4.46Å; H734-P736 WeakPolarHBondContact O-CD 3.38Å; P736-L740 PolarHBondContact O-N 3.37Å; P736-L740 VanDerWaalsContact O-N 3.15Å |
| 737 | Y | 77.4 | Confident | 62.2 | Low | 25 Ų | 25 | 49.3 Ų | 49.3 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.8 | -32.6 | 178.6 | -66.5 | -84.9 | 0 | 0 | 0 | 112.6 | F706 A709 E710 N735 D739 L740 C741 S804 | F706-Y737 VanDerWaalsContact O-CE1 3.23Å; F706-Y737 WeakPolarHBondContact O-CE1 3.43Å; F706-Y737 PolarHBondContact O-OH 3.07Å; A709-Y737 HydrophobicContact CB-CD1 4.12Å; A709-Y737 HydrophobicContact CB-CE1 3.71Å; A709-Y737 HydrophobicContact CB-CE2 4.21Å; E710-Y737 HydrophobicContact CG-CE2 4.09Å; N735-Y737 PolarHBondContact O-N 3.36Å; N735-Y737 WeakPolarHBondContact OD1-CB 3.36Å; N735-Y737 PolarHBondContact OD1-N 3.42Å; N735-Y737 VanDerWaalsContact OD1-N 3.09Å; Y737-D739 VanDerWaalsContact C-N 3.33Å; Y737-D739 PolarHBondContact O-N 3.21Å; Y737-L740 PolarHBondContact O-N 3.02Å; Y737-C741 PolarHBondContact O-N 2.8Å; Y737-C741 PolarHBondContact O-SG 2.99Å; Y737-S804 WeakPolarHBondContact CB-OG 3.13Å |
| 738 | A | 72.5 | Confident | 64.8 | Low | 14 Ų | 14 | 47.9 Ų | 47.9 | 12% | 0.116 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P317 N735 L740 C741 A742 | P317-A738 WeakPolarHBondContact O-CA 3.39Å; P317-A738 WeakPolarHBondContact O-CB 3.5Å; N735-A738 HydrophobicContact CB-CB 4.32Å; N735-A738 PolarHBondContact O-N 3.26Å; A738-L740 PolarHBondContact O-N 3.34Å; A738-C741 PolarHBondContact O-N 3.43Å; A738-A742 PolarHBondContact O-N 3.49Å |
| 739 | D | 74.5 | Confident | 67.6 | Low | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175.4 | -71.9 | 16.1 | 0 | 0 | 0 | 111.2 | R531 K653 H734 Y737 C741 A742 M743 | R531-D739 VanDerWaalsContact CG-OD1 3.27Å; R531-D739 WeakPolarHBondContact CG-OD1 3.24Å; R531-D739 IonicContact NE-OD1 2.73Å; R531-D739 PolarHBondContact NE-OD1 3.15Å; K653-D739 IonicContact NZ-OD2 3.45Å; K653-D739 PolarHBondContact NZ-OD2 3.44Å; H734-D739 IonicContact CE1-OD1 3.67Å; H734-D739 IonicContact CE1-OD2 2.72Å; H734-D739 PolarHBondContact CE1-OD2 3.01Å; H734-D739 IonicContact NE2-OD2 2.91Å; H734-D739 PolarHBondContact NE2-OD2 2.99Å; Y737-D739 VanDerWaalsContact C-N 3.33Å; Y737-D739 PolarHBondContact O-N 3.21Å; D739-C741 PolarHBondContact O-N 3.3Å; D739-A742 PolarHBondContact O-N 2.89Å; D739-M743 VanDerWaalsContact O-CG 3.22Å; D739-M743 WeakPolarHBondContact O-CG 3.43Å; D739-M743 PolarHBondContact O-N 3.44Å |
| 740 | L | 81.3 | Confident | 70.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -46.2 | 176 | -83 | 176.2 | 0 | 0 | 0 | 112.2 | T656 I705 F706 A709 I713 P736 Y737 A738 A742 M743 L744 | T656-L740 HydrophobicContact CG2-CD2 3.95Å; I705-L740 HydrophobicContact CG2-CD2 4.3Å; F706-L740 HydrophobicContact CD1-CD1 3.96Å; F706-L740 HydrophobicContact CE1-CB 3.86Å; F706-L740 HydrophobicContact CE1-CD1 3.86Å; F706-L740 HydrophobicContact CE1-CG 4.36Å; F706-L740 HydrophobicContact CZ-CB 4.14Å; F706-L740 HydrophobicContact CZ-CD1 4.37Å; F706-L740 HydrophobicContact CZ-CD2 4.39Å; A709-L740 HydrophobicContact CB-CD1 3.51Å; I713-L740 HydrophobicContact CD1-CD1 3.94Å; I713-L740 HydrophobicContact CD1-CD2 3.33Å; I713-L740 HydrophobicContact CD1-CG 3.66Å; P736-L740 PolarHBondContact O-N 3.37Å; P736-L740 VanDerWaalsContact O-N 3.15Å; Y737-L740 PolarHBondContact O-N 3.02Å; A738-L740 PolarHBondContact O-N 3.34Å; L740-A742 VanDerWaalsContact C-N 3.32Å; L740-A742 PolarHBondContact O-N 2.74Å; L740-M743 HydrophobicContact CD2-SD 4.33Å; L740-M743 WeakPolarHBondContact O-CB 3.26Å; L740-M743 PolarHBondContact O-N 3.18Å; L740-M743 VanDerWaalsContact O-N 3.15Å; L740-L744 WeakPolarHBondContact O-CG 3.4Å; L740-L744 PolarHBondContact O-N 3.31Å |
| 741 | C | 81.7 | Confident | 72.7 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 178 | -67 | 0 | 0 | 0 | 0 | 111.6 | T318 Y737 A738 D739 M743 L744 D745 F808 | T318-C741 HydrophobicContact CG2-CB 3.87Å; Y737-C741 PolarHBondContact O-N 2.8Å; Y737-C741 PolarHBondContact O-SG 2.99Å; A738-C741 PolarHBondContact O-N 3.43Å; D739-C741 PolarHBondContact O-N 3.3Å; C741-M743 VanDerWaalsContact C-N 3.32Å; C741-M743 PolarHBondContact O-N 2.81Å; C741-L744 WeakPolarHBondContact O-CB 3.48Å; C741-L744 PolarHBondContact O-N 2.9Å; C741-D745 PolarHBondContact O-N 2.89Å; C741-F808 HydrophobicContact CB-CB 4.23Å; C741-F808 HydrophobicContact CB-CD2 3.85Å; C741-F808 HydrophobicContact CB-CE2 4.49Å; C741-F808 HydrophobicContact CB-CG 4.08Å |
| 742 | A | 77.2 | Confident | 75.3 | Confident | 15 Ų | 15 | 33.2 Ų | 33.2 | 12% | 0.124 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A738 D739 L740 S746 | A738-A742 PolarHBondContact O-N 3.49Å; D739-A742 PolarHBondContact O-N 2.89Å; L740-A742 VanDerWaalsContact C-N 3.32Å; L740-A742 PolarHBondContact O-N 2.74Å; A742-S746 PolarHBondContact O-N 3.44Å; A742-S746 PolarHBondContact O-OG 2.98Å |
| 743 | M | 83.4 | Confident | 77.7 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 173.3 | -64.3 | 165 | 81.8 | 0 | 0 | 111.6 | L536 K653 T656 Y657 L660 D739 L740 C741 S746 C747 | L536-M743 HydrophobicContact CD1-CE 3.95Å; L536-M743 HydrophobicContact CD1-CG 3.95Å; L536-M743 HydrophobicContact CD1-SD 4.35Å; K653-M743 WeakPolarHBondContact O-CE 3.46Å; T656-M743 HydrophobicContact CG2-CE 4.31Å; Y657-M743 VanDerWaalsContact CB-CE 3.44Å; Y657-M743 HydrophobicContact CD2-CB 4.32Å; Y657-M743 HydrophobicContact CD2-CE 3.92Å; Y657-M743 HydrophobicContact CD2-CG 4.3Å; Y657-M743 HydrophobicContact CG-CE 4.08Å; L660-M743 HydrophobicContact CD1-CB 3.87Å; D739-M743 VanDerWaalsContact O-CG 3.22Å; D739-M743 WeakPolarHBondContact O-CG 3.43Å; D739-M743 PolarHBondContact O-N 3.44Å; L740-M743 HydrophobicContact CD2-SD 4.33Å; L740-M743 WeakPolarHBondContact O-CB 3.26Å; L740-M743 PolarHBondContact O-N 3.18Å; L740-M743 VanDerWaalsContact O-N 3.15Å; C741-M743 VanDerWaalsContact C-N 3.32Å; C741-M743 PolarHBondContact O-N 2.81Å; M743-S746 PolarHBondContact O-N 3.25Å; M743-S746 PolarHBondContact O-OG 3.47Å; M743-C747 PolarHBondContact O-N 3.27Å; M743-C747 PolarHBondContact O-SG 3.39Å; M743-C747 VanDerWaalsContact O-SG 3.34Å |
| 744 | L | 83.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 176.4 | -68.8 | -168.3 | 0 | 0 | 0 | 112.5 | L660 F706 L740 C741 C747 D748 L749 L799 F808 | L660-L744 HydrophobicContact CD1-CD2 3.9Å; L660-L744 HydrophobicContact CD2-CD2 3.57Å; L660-L744 HydrophobicContact CG-CD2 4.41Å; F706-L744 HydrophobicContact CE1-CD1 4.12Å; F706-L744 HydrophobicContact CE2-CD1 4.23Å; F706-L744 HydrophobicContact CE2-CD2 4.02Å; F706-L744 HydrophobicContact CE2-CG 4.45Å; F706-L744 HydrophobicContact CZ-CD1 3.46Å; F706-L744 VanDerWaalsContact CZ-CD1 3.46Å; F706-L744 HydrophobicContact CZ-CD2 3.75Å; F706-L744 HydrophobicContact CZ-CG 3.71Å; L740-L744 WeakPolarHBondContact O-CG 3.4Å; L740-L744 PolarHBondContact O-N 3.31Å; C741-L744 WeakPolarHBondContact O-CB 3.48Å; C741-L744 PolarHBondContact O-N 2.9Å; L744-C747 PolarHBondContact O-N 3.4Å; L744-D748 PolarHBondContact O-N 3.41Å; L744-L749 HydrophobicContact CD1-CD2 4.21Å; L744-L749 HydrophobicContact CD2-CB 4.15Å; L744-L749 HydrophobicContact CD2-CD2 3.32Å; L744-L749 HydrophobicContact CD2-CG 4.3Å; L744-L749 HydrophobicContact CG-CD2 4.28Å; L744-L749 PolarHBondContact O-N 3.2Å; L744-L799 HydrophobicContact CD1-CD2 4.12Å; L744-F808 HydrophobicContact CB-CE1 3.88Å; L744-F808 HydrophobicContact CB-CE2 4.37Å; L744-F808 HydrophobicContact CB-CZ 3.62Å; L744-F808 HydrophobicContact CD1-CD1 4.07Å; L744-F808 HydrophobicContact CD1-CE1 3.63Å; L744-F808 HydrophobicContact CD1-CZ 4.24Å; L744-F808 HydrophobicContact CG-CE1 4.44Å |
| 745 | D | 81.9 | Confident | 81.1 | Confident | 55 Ų | 55 | 23.7 Ų | 23.7 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.2 | -47.6 | -179.7 | -154 | 31.1 | 0 | 0 | 0 | 110.2 | C741 C747 D748 F808 R812 | C741-D745 PolarHBondContact O-N 2.89Å; D745-C747 PolarHBondContact O-N 3.04Å; D745-C747 VanDerWaalsContact O-N 3.13Å; D745-D748 PolarHBondContact O-N 2.77Å; D745-F808 HydrophobicContact CB-CE2 3.96Å; D745-F808 HydrophobicContact CB-CZ 4.45Å; D745-R812 IonicContact OD1-CZ 3.68Å; D745-R812 IonicContact OD1-NE 3.47Å; D745-R812 PolarHBondContact OD1-NE 2.7Å; D745-R812 VanDerWaalsContact OD1-NE 3.14Å; D745-R812 IonicContact OD1-NH2 3.34Å; D745-R812 IonicContact OD2-CZ 3.65Å; D745-R812 IonicContact OD2-NE 3.37Å; D745-R812 PolarHBondContact OD2-NE 3.17Å; D745-R812 IonicContact OD2-NH2 2.82Å; D745-R812 PolarHBondContact OD2-NH2 3.43Å |
| 746 | S | 80.2 | Confident | 82.1 | Confident | 49 Ų | 49 | 20 Ų | 20 | 34% | 0.343 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -64.2 | -19.9 | 179 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | P533 A742 M743 | P533-S746 VanDerWaalsContact CG-CB 3.47Å; A742-S746 PolarHBondContact O-N 3.44Å; A742-S746 PolarHBondContact O-OG 2.98Å; M743-S746 PolarHBondContact O-N 3.25Å; M743-S746 PolarHBondContact O-OG 3.47Å |
| 747 | C | 82 | Confident | 82.7 | Confident | 8 Ų | 8 | 19.8 Ų | 19.8 | 5% | 0.054 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 6.5 | -178.4 | -63.9 | 0 | 0 | 0 | 0 | 113 | L660 P664 M743 L744 D745 L749 | L660-C747 HydrophobicContact CB-CB 3.93Å; P664-C747 WeakPolarHBondContact CG-O 3.5Å; M743-C747 PolarHBondContact O-N 3.27Å; M743-C747 PolarHBondContact O-SG 3.39Å; M743-C747 VanDerWaalsContact O-SG 3.34Å; L744-C747 PolarHBondContact O-N 3.4Å; D745-C747 PolarHBondContact O-N 3.04Å; D745-C747 VanDerWaalsContact O-N 3.13Å; C747-L749 PolarHBondContact O-N 3.37Å; C747-L749 VanDerWaalsContact O-N 3.15Å |
| 748 | D | 83.7 | Confident | 82.9 | Confident | 95 Ų | 95 | 21.1 Ų | 21.1 | 51% | 0.508 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40 | -178.6 | -74 | -47.5 | 0 | 0 | 0 | 112.9 | L744 D745 I750 N751 S752 | L744-D748 PolarHBondContact O-N 3.41Å; D745-D748 PolarHBondContact O-N 2.77Å; D748-I750 VanDerWaalsContact C-N 3.32Å; D748-I750 PolarHBondContact O-N 3.5Å; D748-N751 PolarHBondContact O-N 3.16Å; D748-S752 WeakPolarHBondContact O-CB 3.41Å; D748-S752 PolarHBondContact O-N 3.33Å; D748-S752 PolarHBondContact O-OG 3.32Å |
| 749 | L | 87.3 | Confident | 83.1 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | -173.6 | -179.9 | 68 | 0 | 0 | 0 | 111.4 | L660 F663 L744 C747 S752 L753 | L660-L749 HydrophobicContact CD2-CD1 4.33Å; L660-L749 HydrophobicContact CD2-CD2 4.22Å; F663-L749 HydrophobicContact CD1-CD1 3.51Å; F663-L749 HydrophobicContact CE1-CD1 3.65Å; F663-L749 HydrophobicContact CG-CD1 4.23Å; F663-L749 HydrophobicContact CZ-CD1 4.45Å; L744-L749 HydrophobicContact CD1-CD2 4.21Å; L744-L749 HydrophobicContact CD2-CB 4.15Å; L744-L749 HydrophobicContact CD2-CD2 3.32Å; L744-L749 HydrophobicContact CD2-CG 4.3Å; L744-L749 HydrophobicContact CG-CD2 4.28Å; L744-L749 PolarHBondContact O-N 3.2Å; C747-L749 PolarHBondContact O-N 3.37Å; C747-L749 VanDerWaalsContact O-N 3.15Å; L749-S752 WeakPolarHBondContact O-CB 3.32Å; L749-S752 PolarHBondContact O-N 3.31Å; L749-L753 HydrophobicContact CD1-CD1 4.28Å; L749-L753 HydrophobicContact CD1-CG 4.15Å; L749-L753 HydrophobicContact CD2-CD1 4.2Å; L749-L753 HydrophobicContact CG-CD1 3.86Å; L749-L753 HydrophobicContact CG-CG 4.18Å; L749-L753 WeakPolarHBondContact O-CB 3.3Å; L749-L753 WeakPolarHBondContact O-CG 3.47Å; L749-L753 PolarHBondContact O-N 3.09Å |
| 750 | I | 86.2 | Confident | 83.2 | Confident | 14 Ų | 14 | 21.4 Ų | 21.4 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -50.5 | -178 | -60.3 | 171.8 | 0 | 0 | 0 | 110.3 | D748 S752 L753 T754 F808 L809 S815 T816 L819 | D748-I750 VanDerWaalsContact C-N 3.32Å; D748-I750 PolarHBondContact O-N 3.5Å; I750-S752 VanDerWaalsContact C-N 3.28Å; I750-S752 PolarHBondContact O-N 2.92Å; I750-L753 PolarHBondContact O-N 2.68Å; I750-T754 PolarHBondContact O-N 2.91Å; I750-T754 PolarHBondContact O-OG1 2.91Å; I750-F808 HydrophobicContact CD1-CD1 4.27Å; I750-F808 HydrophobicContact CD1-CE1 3.54Å; I750-F808 HydrophobicContact CD1-CZ 3.85Å; I750-F808 HydrophobicContact CG1-CE1 3.95Å; I750-F808 HydrophobicContact CG1-CZ 4.38Å; I750-L809 HydrophobicContact CD1-CD2 3.84Å; I750-L809 HydrophobicContact CG1-CD2 4.26Å; I750-S815 WeakPolarHBondContact CG2-O 3.4Å; I750-T816 HydrophobicContact CD1-CG2 4.31Å; I750-L819 HydrophobicContact CG2-CB 4.37Å; I750-L819 HydrophobicContact CG2-CD2 4.3Å |
| 751 | N | 88.1 | Confident | 82.7 | Confident | 63 Ų | 63 | 21.6 Ų | 21.6 | 34% | 0.337 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63 | -37.6 | 179.3 | -64.5 | -33.6 | 0 | 0 | 0 | 111.5 | D748 T754 S755 S815 | D748-N751 PolarHBondContact O-N 3.16Å; N751-T754 PolarHBondContact O-N 3.33Å; N751-S755 WeakPolarHBondContact O-CB 3.41Å; N751-S755 PolarHBondContact O-N 3.29Å; N751-S815 PolarHBondContact ND2-OG 2.96Å; N751-S815 WeakPolarHBondContact OD1-CB 3.48Å; N751-S815 PolarHBondContact OD1-OG 3.47Å |
| 752 | S | 87.5 | Confident | 82 | Confident | 15 Ų | 15 | 25.5 Ų | 25.5 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 175.5 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | D748 L749 I750 L756 | D748-S752 WeakPolarHBondContact O-CB 3.41Å; D748-S752 PolarHBondContact O-N 3.33Å; D748-S752 PolarHBondContact O-OG 3.32Å; L749-S752 WeakPolarHBondContact O-CB 3.32Å; L749-S752 PolarHBondContact O-N 3.31Å; I750-S752 VanDerWaalsContact C-N 3.28Å; I750-S752 PolarHBondContact O-N 2.92Å; S752-L756 VanDerWaalsContact O-CB 3.3Å; S752-L756 WeakPolarHBondContact O-CB 3.27Å; S752-L756 PolarHBondContact O-N 3.38Å |
| 753 | L | 87.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 174.4 | -73.9 | 171.5 | 0 | 0 | 0 | 111.5 | F663 L699 L749 I750 L756 L757 I792 L795 L796 | F663-L753 HydrophobicContact CE1-CD2 4.07Å; F663-L753 HydrophobicContact CE1-CG 4.26Å; F663-L753 HydrophobicContact CZ-CD2 3.72Å; F663-L753 HydrophobicContact CZ-CG 4.41Å; L699-L753 HydrophobicContact CD2-CD2 3.9Å; L749-L753 HydrophobicContact CD1-CD1 4.28Å; L749-L753 HydrophobicContact CD1-CG 4.15Å; L749-L753 HydrophobicContact CD2-CD1 4.2Å; L749-L753 HydrophobicContact CG-CD1 3.86Å; L749-L753 HydrophobicContact CG-CG 4.18Å; L749-L753 WeakPolarHBondContact O-CB 3.3Å; L749-L753 WeakPolarHBondContact O-CG 3.47Å; L749-L753 PolarHBondContact O-N 3.09Å; I750-L753 PolarHBondContact O-N 2.68Å; L753-L756 PolarHBondContact O-N 3.01Å; L753-L757 WeakPolarHBondContact O-CB 3.15Å; L753-L757 PolarHBondContact O-N 3.33Å; L753-I792 HydrophobicContact CD2-CG1 4.3Å; L753-I792 HydrophobicContact CD2-CG2 4.32Å; L753-L795 HydrophobicContact CD1-CD2 4.33Å; L753-L796 HydrophobicContact CD1-CD2 4.19Å |
| 754 | T | 86.4 | Confident | 80.2 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 175.6 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | I750 N751 L757 N758 P818 L819 A822 | I750-T754 PolarHBondContact O-N 2.91Å; I750-T754 PolarHBondContact O-OG1 2.91Å; N751-T754 PolarHBondContact O-N 3.33Å; T754-L757 PolarHBondContact O-N 2.86Å; T754-N758 WeakPolarHBondContact O-CB 3.33Å; T754-N758 PolarHBondContact O-N 3.49Å; T754-N758 PolarHBondContact O-ND2 2.79Å; T754-P818 HydrophobicContact CG2-CB 4.02Å; T754-P818 WeakPolarHBondContact CG2-O 3.33Å; T754-L819 WeakPolarHBondContact OG1-CA 3.46Å; T754-L819 WeakPolarHBondContact OG1-CB 3.44Å; T754-A822 HydrophobicContact CG2-CB 4.04Å |
| 755 | S | 85.4 | Confident | 78.6 | Confident | 42 Ų | 42 | 29.5 Ų | 29.5 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.3 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | N751 L757 N758 Q759 | N751-S755 WeakPolarHBondContact O-CB 3.41Å; N751-S755 PolarHBondContact O-N 3.29Å; S755-L757 PolarHBondContact O-N 3.06Å; S755-N758 PolarHBondContact O-N 2.68Å; S755-Q759 WeakPolarHBondContact O-CB 3.38Å; S755-Q759 VanDerWaalsContact O-CG 3.26Å; S755-Q759 WeakPolarHBondContact O-CG 3.06Å; S755-Q759 PolarHBondContact O-N 3.37Å; S755-Q759 PolarHBondContact OG-NE2 2.87Å |
| 756 | L | 84.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 176 | -177.5 | 66.1 | 0 | 0 | 0 | 111.5 | F663 V667 L670 L695 S752 L753 Q759 L760 I788 I792 | F663-L756 HydrophobicContact CE2-CD2 4.47Å; F663-L756 HydrophobicContact CZ-CD2 3.97Å; V667-L756 HydrophobicContact CG1-CB 4.19Å; V667-L756 HydrophobicContact CG2-CB 4.22Å; V667-L756 HydrophobicContact CG2-CD1 4.36Å; V667-L756 HydrophobicContact CG2-CD2 4.45Å; L670-L756 HydrophobicContact CD2-CD1 4.46Å; L695-L756 HydrophobicContact CD1-CD1 4.26Å; S752-L756 VanDerWaalsContact O-CB 3.3Å; S752-L756 WeakPolarHBondContact O-CB 3.27Å; S752-L756 PolarHBondContact O-N 3.38Å; L753-L756 PolarHBondContact O-N 3.01Å; L756-Q759 PolarHBondContact O-N 3.3Å; L756-L760 HydrophobicContact CD1-CD1 4.35Å; L756-L760 HydrophobicContact CD1-CG 4.49Å; L756-L760 HydrophobicContact CG-CD1 4.05Å; L756-L760 WeakPolarHBondContact O-CG 3.44Å; L756-L760 PolarHBondContact O-N 3.21Å; L756-I788 HydrophobicContact CD2-CG2 4.31Å; L756-I792 HydrophobicContact CD2-CD1 3.7Å; L756-I792 HydrophobicContact CD2-CG1 4.35Å; L756-I792 HydrophobicContact CG-CD1 4.06Å |
| 757 | L | 84.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 179 | -172 | 59.3 | 0 | 0 | 0 | 111.6 | L753 T754 S755 Q759 L760 T761 Q789 A822 T826 Y846 | L753-L757 WeakPolarHBondContact O-CB 3.15Å; L753-L757 PolarHBondContact O-N 3.33Å; T754-L757 PolarHBondContact O-N 2.86Å; S755-L757 PolarHBondContact O-N 3.06Å; L757-Q759 VanDerWaalsContact C-N 3.34Å; L757-Q759 PolarHBondContact O-N 3.12Å; L757-L760 PolarHBondContact O-N 3.29Å; L757-T761 PolarHBondContact O-N 2.82Å; L757-T761 PolarHBondContact O-OG1 3.02Å; L757-Q789 HydrophobicContact CD1-CG 4.38Å; L757-A822 HydrophobicContact CB-CB 4.49Å; L757-A822 HydrophobicContact CD2-CB 3.8Å; L757-A822 HydrophobicContact CG-CB 4.26Å; L757-T826 HydrophobicContact CD1-CG2 3.54Å; L757-T826 HydrophobicContact CD2-CG2 3.95Å; L757-T826 HydrophobicContact CG-CG2 3.59Å; L757-Y846 HydrophobicContact CD1-CE1 4.02Å; L757-Y846 HydrophobicContact CD1-CE2 4.28Å; L757-Y846 WeakPolarHBondContact CD1-OH 3.41Å; L757-Y846 HydrophobicContact CD2-CE1 4.18Å |
| 758 | N | 82.3 | Confident | 74 | Confident | 52 Ų | 52 | 36.9 Ų | 36.9 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.5 | -73 | -17.1 | 0 | 0 | 0 | 112.6 | T754 S755 T761 N762 A822 | T754-N758 WeakPolarHBondContact O-CB 3.33Å; T754-N758 PolarHBondContact O-N 3.49Å; T754-N758 PolarHBondContact O-ND2 2.79Å; S755-N758 PolarHBondContact O-N 2.68Å; N758-T761 VanDerWaalsContact C-OG1 3.29Å; N758-T761 VanDerWaalsContact CA-OG1 3.28Å; N758-T761 WeakPolarHBondContact CA-OG1 3.44Å; N758-T761 PolarHBondContact O-OG1 2.69Å; N758-N762 WeakPolarHBondContact O-CB 3.41Å; N758-N762 PolarHBondContact O-N 2.84Å; N758-N762 VanDerWaalsContact O-N 3.08Å; N758-N762 PolarHBondContact O-ND2 3.08Å; N758-N762 PolarHBondContact O-OD1 3.16Å; N758-A822 WeakPolarHBondContact OD1-CB 3.26Å |
| 759 | Q | 77.3 | Confident | 72.3 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -44 | 174.1 | -74.2 | 172 | 14 | 0 | 0 | 111.3 | S755 L756 L757 T761 N762 I763 | S755-Q759 WeakPolarHBondContact O-CB 3.38Å; S755-Q759 VanDerWaalsContact O-CG 3.26Å; S755-Q759 WeakPolarHBondContact O-CG 3.06Å; S755-Q759 PolarHBondContact O-N 3.37Å; S755-Q759 PolarHBondContact OG-NE2 2.87Å; L756-Q759 PolarHBondContact O-N 3.3Å; L757-Q759 VanDerWaalsContact C-N 3.34Å; L757-Q759 PolarHBondContact O-N 3.12Å; Q759-T761 VanDerWaalsContact C-N 3.31Å; Q759-T761 PolarHBondContact O-N 3.43Å; Q759-N762 PolarHBondContact O-N 2.98Å; Q759-I763 VanDerWaalsContact O-CG1 3.25Å; Q759-I763 WeakPolarHBondContact O-CG1 3.36Å; Q759-I763 PolarHBondContact O-N 2.77Å |
| 760 | L | 75.4 | Confident | 70.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -34.1 | 178.9 | -67.6 | 169 | 0 | 0 | 0 | 112.1 | L756 L757 H764 V785 I788 Q789 I792 | L756-L760 HydrophobicContact CD1-CD1 4.35Å; L756-L760 HydrophobicContact CD1-CG 4.49Å; L756-L760 HydrophobicContact CG-CD1 4.05Å; L756-L760 WeakPolarHBondContact O-CG 3.44Å; L756-L760 PolarHBondContact O-N 3.21Å; L757-L760 PolarHBondContact O-N 3.29Å; L760-H764 PolarHBondContact O-N 3.17Å; L760-V785 HydrophobicContact CB-CG1 4.3Å; L760-V785 HydrophobicContact CD2-CG1 4.09Å; L760-V785 HydrophobicContact CD2-CG2 4.24Å; L760-I788 HydrophobicContact CD1-CB 4.11Å; L760-I788 HydrophobicContact CD1-CG2 3.59Å; L760-I788 HydrophobicContact CD2-CD1 4.24Å; L760-Q789 HydrophobicContact CB-CG 4.48Å; L760-Q789 HydrophobicContact CD1-CG 4.15Å; L760-I792 HydrophobicContact CD1-CD1 4.02Å |
| 761 | T | 70.4 | Confident | 67.9 | Low | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 171.7 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | L757 N758 Q759 H764 E765 T826 | L757-T761 PolarHBondContact O-N 2.82Å; L757-T761 PolarHBondContact O-OG1 3.02Å; N758-T761 VanDerWaalsContact C-OG1 3.29Å; N758-T761 VanDerWaalsContact CA-OG1 3.28Å; N758-T761 WeakPolarHBondContact CA-OG1 3.44Å; N758-T761 PolarHBondContact O-OG1 2.69Å; Q759-T761 VanDerWaalsContact C-N 3.31Å; Q759-T761 PolarHBondContact O-N 3.43Å; T761-H764 WeakPolarHBondContact O-CB 3.49Å; T761-H764 PolarHBondContact O-N 3.12Å; T761-E765 PolarHBondContact O-N 3.01Å; T761-T826 HydrophobicContact CG2-CG2 3.2Å |
| 762 | N | 67.9 | Low | 65.8 | Low | 82 Ų | 82 | 57.7 Ų | 57.7 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72.7 | -36.9 | 180 | -66.9 | -3.7 | 0 | 0 | 0 | 112.2 | N758 Q759 H764 E765 D766 | N758-N762 WeakPolarHBondContact O-CB 3.41Å; N758-N762 PolarHBondContact O-N 2.84Å; N758-N762 VanDerWaalsContact O-N 3.08Å; N758-N762 PolarHBondContact O-ND2 3.08Å; N758-N762 PolarHBondContact O-OD1 3.16Å; Q759-N762 PolarHBondContact O-N 2.98Å; N762-H764 PolarHBondContact O-N 3.43Å; N762-E765 WeakPolarHBondContact O-CA 3.37Å; N762-E765 VanDerWaalsContact O-CB 3.31Å; N762-E765 WeakPolarHBondContact O-CB 3.27Å; N762-E765 PolarHBondContact O-N 3.4Å; N762-D766 PolarHBondContact O-N 3.43Å; N762-D766 VanDerWaalsContact O-N 3.08Å |
| 763 | I | 63.2 | Low | 63.8 | Low | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -35.7 | 172.9 | -68 | 163.1 | 0 | 0 | 0 | 110.3 | L670 T674 Q759 E765 F767 | L670-I763 HydrophobicContact CD2-CD1 4.41Å; T674-I763 HydrophobicContact CG2-CD1 4Å; T674-I763 HydrophobicContact CG2-CG1 3.73Å; Q759-I763 VanDerWaalsContact O-CG1 3.25Å; Q759-I763 WeakPolarHBondContact O-CG1 3.36Å; Q759-I763 PolarHBondContact O-N 2.77Å; I763-E765 VanDerWaalsContact C-N 3.29Å; I763-E765 PolarHBondContact O-N 2.99Å; I763-F767 HydrophobicContact CG2-CD2 3.8Å; I763-F767 HydrophobicContact CG2-CE2 3.95Å; I763-F767 WeakPolarHBondContact O-CD2 3.07Å; I763-F767 PolarHBondContact O-N 3.11Å |
| 764 | H | 59 | Low | 61.8 | Low | 30 Ų | 30 | 65.5 Ų | 65.5 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.3 | -25 | 175.6 | -161.8 | -59 | 0 | 0 | 0 | 112.8 | L760 T761 N762 | L760-H764 PolarHBondContact O-N 3.17Å; T761-H764 WeakPolarHBondContact O-CB 3.49Å; T761-H764 PolarHBondContact O-N 3.12Å; N762-H764 PolarHBondContact O-N 3.43Å |
| 765 | E | 51.2 | Low | 60.2 | Low | 55 Ų | 55 | 69 Ų | 69 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.1 | -54.9 | 174.2 | -72.5 | -74.3 | 120.5 | 0 | 0 | 111.4 | T761 N762 I763 F767 L768 K833 | T761-E765 PolarHBondContact O-N 3.01Å; N762-E765 WeakPolarHBondContact O-CA 3.37Å; N762-E765 VanDerWaalsContact O-CB 3.31Å; N762-E765 WeakPolarHBondContact O-CB 3.27Å; N762-E765 PolarHBondContact O-N 3.4Å; I763-E765 VanDerWaalsContact C-N 3.29Å; I763-E765 PolarHBondContact O-N 2.99Å; E765-F767 PolarHBondContact O-N 3.46Å; E765-L768 PolarHBondContact O-N 2.9Å; E765-K833 WeakPolarHBondContact OE1-CE 3.44Å; E765-K833 IonicContact OE1-NZ 3.2Å; E765-K833 PolarHBondContact OE1-NZ 3.46Å; E765-K833 IonicContact OE2-NZ 3.99Å; E765-K833 PolarHBondContact OE2-NZ 2.9Å |
| 766 | D | 50.8 | Low | 58.5 | Low | 106 Ų | 106 | 73.9 Ų | 73.9 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | -171.5 | -67.8 | -21.1 | 0 | 0 | 0 | 112.5 | N762 L768 Q769 E770 | N762-D766 PolarHBondContact O-N 3.43Å; N762-D766 VanDerWaalsContact O-N 3.08Å; D766-L768 VanDerWaalsContact C-N 3.32Å; D766-L768 PolarHBondContact O-N 2.93Å; D766-Q769 PolarHBondContact O-N 3.23Å; D766-E770 PolarHBondContact O-N 2.67Å |
| 767 | F | 49 | Very low | 56.9 | Low | 61 Ų | 61 | 80.4 Ų | 80.4 | 27% | 0.268 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.7 | -22.6 | -179.5 | -88.7 | -85.5 | 0 | 0 | 0 | 114 | I763 E765 L773 L781 | I763-F767 HydrophobicContact CG2-CD2 3.8Å; I763-F767 HydrophobicContact CG2-CE2 3.95Å; I763-F767 WeakPolarHBondContact O-CD2 3.07Å; I763-F767 PolarHBondContact O-N 3.11Å; E765-F767 PolarHBondContact O-N 3.46Å; F767-L773 HydrophobicContact CD1-CD1 4.48Å; F767-L773 HydrophobicContact CE1-CD1 4.27Å; F767-L781 HydrophobicContact CD2-CD2 4.43Å; F767-L781 HydrophobicContact CE1-CD2 4.19Å; F767-L781 HydrophobicContact CE2-CD2 3.89Å; F767-L781 HydrophobicContact CZ-CD2 3.75Å |
| 768 | L | 45.9 | Very low | 55.2 | Low | 100 Ų | 100 | 84.2 Ų | 84.2 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -82.9 | -24.7 | 177.4 | -76.3 | -178.6 | 0 | 0 | 0 | 113.1 | E765 D766 K833 T835 | E765-L768 PolarHBondContact O-N 2.9Å; D766-L768 VanDerWaalsContact C-N 3.32Å; D766-L768 PolarHBondContact O-N 2.93Å; L768-K833 HydrophobicContact CD1-CB 4.39Å; L768-K833 HydrophobicContact CD1-CD 3.87Å; L768-T835 HydrophobicContact CD1-CG2 4.05Å |
| 769 | Q | 48.5 | Very low | 53.8 | Low | 165 Ų | 165 | 86.4 Ų | 86.4 | 77% | 0.771 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -81.5 | -31.3 | 176.2 | -96.4 | -177.4 | -7.6 | 0 | 0 | 112.4 | D766 | D766-Q769 PolarHBondContact O-N 3.23Å |
| 770 | E | 40.6 | Very low | 52.9 | Low | 132 Ų | 132 | 90 Ų | 90 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -121.6 | 116.1 | -173.9 | -62.3 | -163.1 | 163.4 | 0 | 0 | 112.2 | D766 | D766-E770 PolarHBondContact O-N 2.67Š|
| 771 | N | 40.9 | Very low | 52.2 | Low | 109 Ų | 109 | 90.9 Ų | 90.9 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | trans | 110.7 | 125.7 | 147.2 | -52.7 | -57 | 0 | 0 | 0 | 116.9 | L773 | N771-L773 HydrophobicContact CB-CD1 4.02Å; N771-L773 HydrophobicContact CB-CG 4.35Å; N771-L773 PolarHBondContact O-N 3.27Å | ||
| 772 | E | 44.2 | Very low | 51.9 | Low | 207 Ų | 207 | 93 Ų | 93 | 97% | 0.967 | 47% | 0.467 | S | S | * | . | trans | -65.2 | 61.7 | 156.2 | -64.3 | -179.7 | 149.5 | 0 | 0 | 110.2 | ||||
| 773 | L | 45.6 | Very low | 51.9 | Low | 53 Ų | 53 | 91.9 Ų | 91.9 | 28% | 0.277 | 47% | 0.465 | S | S | . | . | trans | -69.6 | 137.5 | 170.4 | -100.7 | 142.3 | 0 | 0 | 0 | 108.9 | F767 N771 S775 E778 | F767-L773 HydrophobicContact CD1-CD1 4.48Å; F767-L773 HydrophobicContact CE1-CD1 4.27Å; N771-L773 HydrophobicContact CB-CD1 4.02Å; N771-L773 HydrophobicContact CB-CG 4.35Å; N771-L773 PolarHBondContact O-N 3.27Å; L773-S775 PolarHBondContact O-N 3.41Å; L773-E778 HydrophobicContact CB-CG 3.86Å | ||
| 774 | D | 46.7 | Very low | 52.2 | Low | 128 Ų | 128 | 91.7 Ų | 91.7 | 68% | 0.684 | 46% | 0.464 | S | S | * | . | trans | -47.4 | 114.9 | 174.2 | -85.5 | -37.7 | 0 | 0 | 0 | 109.5 | Q776 Y777 | D774-Q776 PolarHBondContact O-N 3.45Å; D774-Y777 HydrophobicContact CB-CD2 4.28Å; D774-Y777 PolarHBondContact O-N 3.18Å | ||
| 775 | S | 51.5 | Low | 52.9 | Low | 80 Ų | 80 | 90.5 Ų | 90.5 | 56% | 0.559 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -40.8 | -27.9 | -172.8 | 54.6 | 0 | 0 | 0 | 0 | 116.1 | L773 Y777 I779 | L773-S775 PolarHBondContact O-N 3.41Å; S775-Y777 PolarHBondContact O-N 2.89Å; S775-I779 WeakPolarHBondContact O-CB 3.09Å; S775-I779 WeakPolarHBondContact O-CD1 3.37Å; S775-I779 WeakPolarHBondContact O-CG1 3.4Å; S775-I779 PolarHBondContact O-N 2.98Å |
| 776 | Q | 50.7 | Low | 54.1 | Low | 146 Ų | 146 | 89 Ų | 89 | 68% | 0.682 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.2 | -33.2 | 177.1 | -75 | -177.1 | -10.3 | 0 | 0 | 114.5 | D774 | D774-Q776 PolarHBondContact O-N 3.45Å |
| 777 | Y | 49.1 | Very low | 55.5 | Low | 137 Ų | 137 | 88 Ų | 88 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -84.7 | -37.6 | -177.4 | -67.6 | -75.7 | 0 | 0 | 0 | 112.5 | D774 S775 I779 N780 L781 | D774-Y777 HydrophobicContact CB-CD2 4.28Å; D774-Y777 PolarHBondContact O-N 3.18Å; S775-Y777 PolarHBondContact O-N 2.89Å; Y777-I779 VanDerWaalsContact C-N 3.31Å; Y777-I779 PolarHBondContact O-N 3.19Å; Y777-N780 PolarHBondContact O-N 3.17Å; Y777-L781 PolarHBondContact O-N 3.19Å |
| 778 | E | 49.8 | Very low | 57.1 | Low | 80 Ų | 80 | 85.1 Ų | 85.1 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 170.8 | -77.6 | -175.4 | 151.4 | 0 | 0 | 112.1 | L773 N780 S782 | L773-E778 HydrophobicContact CB-CG 3.86Å; E778-N780 VanDerWaalsContact C-N 3.31Å; E778-N780 PolarHBondContact O-N 3.35Å; E778-S782 WeakPolarHBondContact O-CB 3.45Å; E778-S782 PolarHBondContact O-N 2.9Å; E778-S782 VanDerWaalsContact O-N 3.14Å; E778-S782 PolarHBondContact O-OG 3.35Å |
| 779 | I | 51.5 | Low | 58.9 | Low | 98 Ų | 98 | 80.4 Ų | 80.4 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 179.7 | -66.9 | 164.9 | 0 | 0 | 0 | 111.2 | S775 Y777 S782 C783 | S775-I779 WeakPolarHBondContact O-CB 3.09Å; S775-I779 WeakPolarHBondContact O-CD1 3.37Å; S775-I779 WeakPolarHBondContact O-CG1 3.4Å; S775-I779 PolarHBondContact O-N 2.98Å; Y777-I779 VanDerWaalsContact C-N 3.31Å; Y777-I779 PolarHBondContact O-N 3.19Å; I779-S782 PolarHBondContact O-OG 3.44Å; I779-C783 VanDerWaalsContact O-CB 3.24Å; I779-C783 WeakPolarHBondContact O-CB 3.25Å; I779-C783 PolarHBondContact O-N 2.74Å |
| 780 | N | 59.6 | Low | 60.5 | Low | 99 Ų | 99 | 74.2 Ų | 74.2 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.3 | -42.1 | -179 | -91.4 | -23 | 0 | 0 | 0 | 112.8 | Y777 E778 L784 | Y777-N780 PolarHBondContact O-N 3.17Å; E778-N780 VanDerWaalsContact C-N 3.31Å; E778-N780 PolarHBondContact O-N 3.35Å; N780-L784 WeakPolarHBondContact O-CB 3.34Å; N780-L784 PolarHBondContact O-N 3.33Å |
| 781 | L | 60.4 | Low | 62.6 | Low | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.2 | -44.3 | -178.3 | -162.8 | 75.4 | 0 | 0 | 0 | 111.7 | I688 L689 F767 Y777 C783 L784 V785 | I688-L781 HydrophobicContact CG2-CD1 4.1Å; L689-L781 HydrophobicContact CD1-CD1 4.44Å; F767-L781 HydrophobicContact CD2-CD2 4.43Å; F767-L781 HydrophobicContact CE1-CD2 4.19Å; F767-L781 HydrophobicContact CE2-CD2 3.89Å; F767-L781 HydrophobicContact CZ-CD2 3.75Å; Y777-L781 PolarHBondContact O-N 3.19Å; L781-C783 VanDerWaalsContact C-N 3.33Å; L781-C783 PolarHBondContact O-N 3.17Å; L781-L784 PolarHBondContact O-N 2.99Å; L781-L784 VanDerWaalsContact O-N 3.1Å; L781-V785 WeakPolarHBondContact O-CG2 3.34Å; L781-V785 PolarHBondContact O-N 2.93Å |
| 782 | S | 64.7 | Low | 64.9 | Low | 50 Ų | 50 | 63.4 Ų | 63.4 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 176.7 | 57.7 | 0 | 0 | 0 | 0 | 112.3 | E778 I779 L784 N786 | E778-S782 WeakPolarHBondContact O-CB 3.45Å; E778-S782 PolarHBondContact O-N 2.9Å; E778-S782 VanDerWaalsContact O-N 3.14Å; E778-S782 PolarHBondContact O-OG 3.35Å; I779-S782 PolarHBondContact O-OG 3.44Å; S782-L784 VanDerWaalsContact C-N 3.29Å; S782-L784 PolarHBondContact O-N 3.03Å; S782-N786 WeakPolarHBondContact O-CB 3.24Å; S782-N786 PolarHBondContact O-N 3.18Å; S782-N786 PolarHBondContact O-ND2 3.17Å |
| 783 | C | 67.8 | Low | 66.9 | Low | 59 Ų | 59 | 55.1 Ų | 55.1 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 174 | -175 | 0 | 0 | 0 | 0 | 111.7 | I779 L781 N786 Q787 | I779-C783 VanDerWaalsContact O-CB 3.24Å; I779-C783 WeakPolarHBondContact O-CB 3.25Å; I779-C783 PolarHBondContact O-N 2.74Å; L781-C783 VanDerWaalsContact C-N 3.33Å; L781-C783 PolarHBondContact O-N 3.17Å; C783-N786 PolarHBondContact O-N 3.42Å; C783-Q787 WeakPolarHBondContact O-CG 3.47Å; C783-Q787 PolarHBondContact O-N 2.96Å |
| 784 | L | 69 | Low | 68.9 | Low | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77 | -36.8 | -175.7 | -138.2 | 148.9 | 0 | 0 | 0 | 112.6 | L689 Q692 Q693 I696 N780 L781 S782 N786 Q787 I788 | L689-L784 HydrophobicContact CD2-CD1 3.78Å; L689-L784 HydrophobicContact CG-CD1 3.87Å; Q692-L784 HydrophobicContact CB-CD2 3.2Å; Q692-L784 HydrophobicContact CG-CD2 4.14Å; Q693-L784 HydrophobicContact CG-CD1 4.44Å; I696-L784 HydrophobicContact CD1-CD2 3.9Å; N780-L784 WeakPolarHBondContact O-CB 3.34Å; N780-L784 PolarHBondContact O-N 3.33Å; L781-L784 PolarHBondContact O-N 2.99Å; L781-L784 VanDerWaalsContact O-N 3.1Å; S782-L784 VanDerWaalsContact C-N 3.29Å; S782-L784 PolarHBondContact O-N 3.03Å; L784-N786 VanDerWaalsContact C-N 3.34Å; L784-Q787 WeakPolarHBondContact O-CB 3.36Å; L784-Q787 PolarHBondContact O-N 3.15Å; L784-I788 WeakPolarHBondContact O-CG1 3.5Å; L784-I788 PolarHBondContact O-N 3.49Å |
| 785 | V | 74.3 | Confident | 70.9 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 169 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | L760 L781 Q787 I788 Q789 | L760-V785 HydrophobicContact CB-CG1 4.3Å; L760-V785 HydrophobicContact CD2-CG1 4.09Å; L760-V785 HydrophobicContact CD2-CG2 4.24Å; L781-V785 WeakPolarHBondContact O-CG2 3.34Å; L781-V785 PolarHBondContact O-N 2.93Å; V785-Q787 VanDerWaalsContact C-N 3.27Å; V785-Q787 PolarHBondContact O-N 3.34Å; V785-I788 PolarHBondContact O-N 3.24Å; V785-Q789 PolarHBondContact O-N 3.26Å |
| 786 | N | 76.4 | Confident | 72.5 | Confident | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -34.3 | 176.3 | -71.8 | -33 | 0 | 0 | 0 | 112.2 | S782 C783 L784 A790 V842 | S782-N786 WeakPolarHBondContact O-CB 3.24Å; S782-N786 PolarHBondContact O-N 3.18Å; S782-N786 PolarHBondContact O-ND2 3.17Å; C783-N786 PolarHBondContact O-N 3.42Å; L784-N786 VanDerWaalsContact C-N 3.34Å; N786-A790 WeakPolarHBondContact O-CB 3.44Å; N786-A790 PolarHBondContact O-N 3.49Å; N786-V842 HydrophobicContact CB-CG2 4.49Å |
| 787 | Q | 79.4 | Confident | 74.2 | Confident | 87 Ų | 87 | 42.9 Ų | 42.9 | 41% | 0.407 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.7 | -40.7 | 175 | -75.2 | 174 | 3.1 | 0 | 0 | 112.6 | I696 C783 L784 V785 A790 S791 | I696-Q787 HydrophobicContact CD1-CB 3.82Å; C783-Q787 WeakPolarHBondContact O-CG 3.47Å; C783-Q787 PolarHBondContact O-N 2.96Å; L784-Q787 WeakPolarHBondContact O-CB 3.36Å; L784-Q787 PolarHBondContact O-N 3.15Å; V785-Q787 VanDerWaalsContact C-N 3.27Å; V785-Q787 PolarHBondContact O-N 3.34Å; Q787-A790 PolarHBondContact O-N 2.95Å; Q787-S791 WeakPolarHBondContact O-CB 3.4Å; Q787-S791 PolarHBondContact O-N 3.2Å; Q787-S791 PolarHBondContact O-OG 3.29Å |
| 788 | I | 81.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 174.8 | -61.9 | 166.1 | 0 | 0 | 0 | 109.6 | Q692 I696 L699 L756 L760 L784 V785 A790 S791 I792 | Q692-I788 HydrophobicContact CB-CD1 3.55Å; Q692-I788 HydrophobicContact CB-CG1 4.42Å; Q692-I788 HydrophobicContact CG-CD1 3.43Å; Q692-I788 VanDerWaalsContact CG-CD1 3.43Å; I696-I788 HydrophobicContact CD1-CG1 3.98Å; I696-I788 HydrophobicContact CG1-CB 4.49Å; I696-I788 HydrophobicContact CG1-CG1 3.68Å; L699-I788 HydrophobicContact CD1-CG2 4.31Å; L756-I788 HydrophobicContact CD2-CG2 4.31Å; L760-I788 HydrophobicContact CD1-CB 4.11Å; L760-I788 HydrophobicContact CD1-CG2 3.59Å; L760-I788 HydrophobicContact CD2-CD1 4.24Å; L784-I788 WeakPolarHBondContact O-CG1 3.5Å; L784-I788 PolarHBondContact O-N 3.49Å; V785-I788 PolarHBondContact O-N 3.24Å; I788-A790 PolarHBondContact O-N 3.03Å; I788-S791 WeakPolarHBondContact CA-OG 3.46Å; I788-S791 PolarHBondContact O-N 3.16Å; I788-S791 VanDerWaalsContact O-N 3.08Å; I788-S791 PolarHBondContact O-OG 3.14Å; I788-I792 HydrophobicContact CG2-CD1 3.98Å; I788-I792 HydrophobicContact CG2-CG1 4.35Å; I788-I792 WeakPolarHBondContact O-CG1 3.5Å; I788-I792 PolarHBondContact O-N 2.98Å |
| 789 | Q | 84.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.7 | -48.6 | 175.9 | -83.8 | -178.6 | -19.3 | 0 | 0 | 111.9 | L757 L760 V785 S791 I792 H793 V842 Y846 | L757-Q789 HydrophobicContact CD1-CG 4.38Å; L760-Q789 HydrophobicContact CB-CG 4.48Å; L760-Q789 HydrophobicContact CD1-CG 4.15Å; V785-Q789 PolarHBondContact O-N 3.26Å; Q789-S791 VanDerWaalsContact C-N 3.3Å; Q789-S791 PolarHBondContact O-N 3.31Å; Q789-I792 PolarHBondContact O-N 3.29Å; Q789-I792 VanDerWaalsContact O-N 3.16Å; Q789-H793 PolarHBondContact O-N 3.33Å; Q789-V842 HydrophobicContact CB-CG1 3.81Å; Q789-Y846 VanDerWaalsContact C-OH 3.26Å; Q789-Y846 WeakPolarHBondContact CA-OH 3.28Å; Q789-Y846 HydrophobicContact CB-CE2 3.88Å; Q789-Y846 WeakPolarHBondContact CB-OH 3.35Å; Q789-Y846 HydrophobicContact CG-CE2 4.14Å; Q789-Y846 PolarHBondContact O-OH 3.26Å |
| 790 | A | 83.2 | Confident | 79 | Confident | 36 Ų | 36 | 28.7 Ų | 28.7 | 30% | 0.298 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56.9 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N786 Q787 I788 I792 H793 E794 | N786-A790 WeakPolarHBondContact O-CB 3.44Å; N786-A790 PolarHBondContact O-N 3.49Å; Q787-A790 PolarHBondContact O-N 2.95Å; I788-A790 PolarHBondContact O-N 3.03Å; A790-I792 PolarHBondContact O-N 2.93Å; A790-H793 PolarHBondContact O-N 3.38Å; A790-E794 WeakPolarHBondContact O-CG 3.24Å; A790-E794 PolarHBondContact O-N 3.08Å |
| 791 | S | 84.4 | Confident | 80 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.8 | -33.1 | 178 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | L699 Q787 I788 Q789 L795 | L699-S791 VanDerWaalsContact CD1-OG 3.24Å; L699-S791 WeakPolarHBondContact CD1-OG 3.43Å; Q787-S791 WeakPolarHBondContact O-CB 3.4Å; Q787-S791 PolarHBondContact O-N 3.2Å; Q787-S791 PolarHBondContact O-OG 3.29Å; I788-S791 WeakPolarHBondContact CA-OG 3.46Å; I788-S791 PolarHBondContact O-N 3.16Å; I788-S791 VanDerWaalsContact O-N 3.08Å; I788-S791 PolarHBondContact O-OG 3.14Å; Q789-S791 VanDerWaalsContact C-N 3.3Å; Q789-S791 PolarHBondContact O-N 3.31Å; S791-L795 PolarHBondContact O-N 2.88Å |
| 792 | I | 88 | Confident | 80.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -49.1 | 171.7 | -67.5 | 168.9 | 0 | 0 | 0 | 109.5 | L699 L753 L756 L760 I788 Q789 A790 E794 L795 L796 | L699-I792 HydrophobicContact CD1-CG1 3.68Å; L753-I792 HydrophobicContact CD2-CG1 4.3Å; L753-I792 HydrophobicContact CD2-CG2 4.32Å; L756-I792 HydrophobicContact CD2-CD1 3.7Å; L756-I792 HydrophobicContact CD2-CG1 4.35Å; L756-I792 HydrophobicContact CG-CD1 4.06Å; L760-I792 HydrophobicContact CD1-CD1 4.02Å; I788-I792 HydrophobicContact CG2-CD1 3.98Å; I788-I792 HydrophobicContact CG2-CG1 4.35Å; I788-I792 WeakPolarHBondContact O-CG1 3.5Å; I788-I792 PolarHBondContact O-N 2.98Å; Q789-I792 PolarHBondContact O-N 3.29Å; Q789-I792 VanDerWaalsContact O-N 3.16Å; A790-I792 PolarHBondContact O-N 2.93Å; I792-E794 VanDerWaalsContact C-N 3.34Å; I792-E794 PolarHBondContact O-N 3.2Å; I792-L795 PolarHBondContact O-N 3.3Å; I792-L796 HydrophobicContact CG2-CD1 3.85Å; I792-L796 HydrophobicContact CG2-CG 4.28Å; I792-L796 WeakPolarHBondContact O-CG 3.44Å; I792-L796 PolarHBondContact O-N 3.49Å |
| 793 | H | 87.6 | Confident | 81.5 | Confident | 33 Ų | 33 | 28.4 Ų | 28.4 | 15% | 0.153 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 178 | 178.1 | -80 | 0 | 0 | 0 | 111.2 | Q789 A790 L795 L796 D797 N845 Y846 | Q789-H793 PolarHBondContact O-N 3.33Å; A790-H793 PolarHBondContact O-N 3.38Å; H793-L795 VanDerWaalsContact C-N 3.3Å; H793-L795 PolarHBondContact O-N 3.41Å; H793-L796 PolarHBondContact O-N 3.15Å; H793-D797 VanDerWaalsContact O-CB 3.24Å; H793-D797 WeakPolarHBondContact O-CB 3.43Å; H793-D797 PolarHBondContact O-N 3.3Å; H793-N845 PolarHBondContact NE2-O 3.25Å; H793-Y846 HydrophobicContact CB-CE1 4.17Å |
| 794 | E | 87.3 | Confident | 82 | Confident | 89 Ų | 89 | 26.1 Ų | 26.1 | 42% | 0.416 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.7 | -35.2 | 177.6 | -75.3 | -178.4 | -166.6 | 0 | 0 | 113.8 | K703 A790 I792 T798 | K703-E794 HydrophobicContact CD-CB 4.1Å; K703-E794 IonicContact NZ-OE2 2.8Å; K703-E794 PolarHBondContact NZ-OE2 3.13Å; A790-E794 WeakPolarHBondContact O-CG 3.24Å; A790-E794 PolarHBondContact O-N 3.08Å; I792-E794 VanDerWaalsContact C-N 3.34Å; I792-E794 PolarHBondContact O-N 3.2Å; E794-T798 WeakPolarHBondContact O-CB 3.31Å; E794-T798 PolarHBondContact O-N 3.25Å; E794-T798 PolarHBondContact O-OG1 3.4Å |
| 795 | L | 87.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.2 | -45.3 | 175.5 | 179.6 | 66.8 | 0 | 0 | 0 | 111.1 | L699 L702 K703 F706 L753 S791 I792 H793 T798 L799 | L699-L795 HydrophobicContact CD2-CD2 3.81Å; L702-L795 HydrophobicContact CB-CD1 4.13Å; K703-L795 HydrophobicContact CB-CD1 4.17Å; F706-L795 HydrophobicContact CD2-CD1 4.22Å; L753-L795 HydrophobicContact CD1-CD2 4.33Å; S791-L795 PolarHBondContact O-N 2.88Å; I792-L795 PolarHBondContact O-N 3.3Å; H793-L795 VanDerWaalsContact C-N 3.3Å; H793-L795 PolarHBondContact O-N 3.41Å; L795-T798 PolarHBondContact O-N 3.47Å; L795-L799 HydrophobicContact CG-CD1 4.23Å; L795-L799 WeakPolarHBondContact O-CG 3.34Å; L795-L799 PolarHBondContact O-N 3.19Å |
| 796 | L | 86.8 | Confident | 83 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.4 | -72.1 | 178.6 | 0 | 0 | 0 | 112.3 | L753 I792 H793 L799 C800 L819 F849 | L753-L796 HydrophobicContact CD1-CD2 4.19Å; I792-L796 HydrophobicContact CG2-CD1 3.85Å; I792-L796 HydrophobicContact CG2-CG 4.28Å; I792-L796 WeakPolarHBondContact O-CG 3.44Å; I792-L796 PolarHBondContact O-N 3.49Å; H793-L796 PolarHBondContact O-N 3.15Å; L796-L799 HydrophobicContact CD2-CD1 4.42Å; L796-L799 WeakPolarHBondContact O-CB 3.46Å; L796-L799 PolarHBondContact O-N 3.34Å; L796-C800 PolarHBondContact O-N 2.9Å; L796-C800 PolarHBondContact O-SG 2.94Å; L796-L819 HydrophobicContact CD1-CD1 4.14Å; L796-L819 HydrophobicContact CD1-CD2 4.5Å; L796-L819 HydrophobicContact CD2-CD2 3.95Å; L796-F849 HydrophobicContact CB-CE1 3.93Å; L796-F849 HydrophobicContact CB-CE2 3.85Å; L796-F849 HydrophobicContact CB-CZ 3.5Å; L796-F849 HydrophobicContact CD1-CE1 3.94Å; L796-F849 HydrophobicContact CD1-CZ 4.35Å; L796-F849 HydrophobicContact CG-CE1 4.46Å; L796-F849 HydrophobicContact CG-CZ 4.38Å |
| 797 | D | 85.9 | Confident | 83.3 | Confident | 58 Ų | 58 | 25 Ų | 25 | 31% | 0.31 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 173.4 | -179.3 | 45.2 | 0 | 0 | 0 | 111.1 | H793 L799 C800 C801 | H793-D797 VanDerWaalsContact O-CB 3.24Å; H793-D797 WeakPolarHBondContact O-CB 3.43Å; H793-D797 PolarHBondContact O-N 3.3Å; D797-L799 VanDerWaalsContact C-N 3.31Å; D797-L799 PolarHBondContact O-N 2.95Å; D797-C800 PolarHBondContact O-N 2.97Å; D797-C800 VanDerWaalsContact O-N 3.15Å; D797-C801 PolarHBondContact O-N 3.14Å; D797-C801 PolarHBondContact O-SG 2.77Å |
| 798 | T | 83.7 | Confident | 83.5 | Confident | 8 Ų | 8 | 21 Ų | 21 | 5% | 0.049 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 174.7 | -58.1 | 0 | 0 | 0 | 0 | 112 | F706 Q707 E794 L795 H802 | F706-T798 HydrophobicContact CB-CG2 4.28Å; Q707-T798 HydrophobicContact CG-CG2 3.46Å; Q707-T798 VanDerWaalsContact CG-CG2 3.46Å; Q707-T798 PolarHBondContact NE2-OG1 3.48Å; E794-T798 WeakPolarHBondContact O-CB 3.31Å; E794-T798 PolarHBondContact O-N 3.25Å; E794-T798 PolarHBondContact O-OG1 3.4Å; L795-T798 PolarHBondContact O-N 3.47Å; T798-H802 PolarHBondContact O-CD2 3.06Å; T798-H802 VanDerWaalsContact O-CD2 3.31Å |
| 799 | L | 83.4 | Confident | 83.6 | Confident | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.2 | -80.1 | 158.9 | 0 | 0 | 0 | 112 | F706 L744 L795 L796 D797 G805 L806 | F706-L799 HydrophobicContact CD1-CD2 4.12Å; F706-L799 HydrophobicContact CE1-CD2 3.93Å; F706-L799 HydrophobicContact CZ-CD2 4.26Å; L744-L799 HydrophobicContact CD1-CD2 4.12Å; L795-L799 HydrophobicContact CG-CD1 4.23Å; L795-L799 WeakPolarHBondContact O-CG 3.34Å; L795-L799 PolarHBondContact O-N 3.19Å; L796-L799 HydrophobicContact CD2-CD1 4.42Å; L796-L799 WeakPolarHBondContact O-CB 3.46Å; L796-L799 PolarHBondContact O-N 3.34Å; D797-L799 VanDerWaalsContact C-N 3.31Å; D797-L799 PolarHBondContact O-N 2.95Å; L799-G805 CarbonylContact O-C 3.57Å; L799-G805 VanDerWaalsContact O-C 3.27Å; L799-G805 VanDerWaalsContact O-CA 3.26Å; L799-G805 WeakPolarHBondContact O-CA 3.37Å; L799-L806 PolarHBondContact O-N 3.38Å |
| 800 | C | 84.2 | Confident | 83.4 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -76.3 | -21.8 | -179.4 | -65.8 | 0 | 0 | 0 | 0 | 113.9 | L796 D797 L809 F849 | L796-C800 PolarHBondContact O-N 2.9Å; L796-C800 PolarHBondContact O-SG 2.94Å; D797-C800 PolarHBondContact O-N 2.97Å; D797-C800 VanDerWaalsContact O-N 3.15Å; C800-L809 WeakPolarHBondContact SG-CD1 3.49Å; C800-F849 HydrophobicContact CB-CE2 4.1Å; C800-F849 WeakPolarHBondContact SG-CE2 3.38Å; C800-F849 WeakPolarHBondContact SG-CZ 3.44Å |
| 801 | C | 79.8 | Confident | 83.2 | Confident | 70 Ų | 70 | 21.5 Ų | 21.5 | 47% | 0.473 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -74.3 | -26.7 | 175.8 | -72.8 | 0 | 0 | 0 | 0 | 113.3 | D797 M967 | D797-C801 PolarHBondContact O-N 3.14Å; D797-C801 PolarHBondContact O-SG 2.77Å; C801-M967 VanDerWaalsContact O-CE 3.3Å; C801-M967 WeakPolarHBondContact O-CE 3.46Å |
| 802 | H | 77.5 | Confident | 83 | Confident | 62 Ų | 62 | 24.1 Ų | 24.1 | 29% | 0.287 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -94.2 | 137.6 | 179 | -73.4 | -67 | 0 | 0 | 0 | 111.7 | T798 S804 G805 L806 | T798-H802 PolarHBondContact O-CD2 3.06Å; T798-H802 VanDerWaalsContact O-CD2 3.31Å; H802-S804 PolarHBondContact O-N 3Å; H802-G805 PolarHBondContact O-N 2.74Å; H802-G805 VanDerWaalsContact O-N 3.07Å; H802-L806 PolarHBondContact O-N 3.18Å |
| 803 | S | 79.5 | Confident | 82.4 | Confident | 29 Ų | 29 | 25.6 Ų | 25.6 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | -176.1 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | G805 L806 L807 M967 D969 Y970 | S803-G805 VanDerWaalsContact C-N 3.31Å; S803-G805 PolarHBondContact O-N 2.93Å; S803-L806 PolarHBondContact O-N 3.26Å; S803-L807 WeakPolarHBondContact O-CG 2.98Å; S803-L807 PolarHBondContact O-N 2.98Å; S803-M967 VanDerWaalsContact CB-SD 3.58Å; S803-D969 PolarHBondContact OG-OD2 2.65Å; S803-Y970 PolarHBondContact O-OH 3.06Å |
| 804 | S | 77.5 | Confident | 81.9 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -32.5 | 177.2 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | Y737 H802 F808 | Y737-S804 WeakPolarHBondContact CB-OG 3.13Å; H802-S804 PolarHBondContact O-N 3Å; S804-F808 WeakPolarHBondContact O-CB 3.48Å; S804-F808 PolarHBondContact O-N 3.24Å |
| 805 | G | 81.5 | Confident | 81.7 | Confident | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.6 | -41.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L799 H802 S803 L807 F808 L809 | L799-G805 CarbonylContact O-C 3.57Å; L799-G805 VanDerWaalsContact O-C 3.27Å; L799-G805 VanDerWaalsContact O-CA 3.26Å; L799-G805 WeakPolarHBondContact O-CA 3.37Å; H802-G805 PolarHBondContact O-N 2.74Å; H802-G805 VanDerWaalsContact O-N 3.07Å; S803-G805 VanDerWaalsContact C-N 3.31Å; S803-G805 PolarHBondContact O-N 2.93Å; G805-L807 VanDerWaalsContact C-N 3.35Å; G805-L807 PolarHBondContact O-N 3.47Å; G805-F808 WeakPolarHBondContact O-CB 3.32Å; G805-F808 PolarHBondContact O-N 3.3Å; G805-L809 PolarHBondContact O-N 3.14Å; G805-L809 VanDerWaalsContact O-N 3.14Å |
| 806 | L | 84.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 173.4 | -177.1 | 66 | 0 | 0 | 0 | 111.7 | L799 H802 S803 L809 A810 L853 K856 L860 V964 | L799-L806 PolarHBondContact O-N 3.38Å; H802-L806 PolarHBondContact O-N 3.18Å; S803-L806 PolarHBondContact O-N 3.26Å; L806-L809 PolarHBondContact O-N 2.81Å; L806-A810 WeakPolarHBondContact O-CB 3.47Å; L806-A810 PolarHBondContact O-N 3.3Å; L806-L853 HydrophobicContact CD1-CD1 3.97Å; L806-K856 HydrophobicContact CD1-CB 3.92Å; L806-K856 HydrophobicContact CD1-CD 4.27Å; L806-K856 HydrophobicContact CD2-CB 4.13Å; L806-K856 HydrophobicContact CD2-CD 4.32Å; L806-L860 HydrophobicContact CD2-CD1 3.61Å; L806-L860 HydrophobicContact CD2-CG 4.21Å; L806-L860 HydrophobicContact CG-CD1 3.66Å; L806-V964 HydrophobicContact CD2-CG2 3.94Å |
| 807 | L | 81.6 | Confident | 81.1 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 173.5 | -69.6 | -174.8 | 0 | 0 | 0 | 112.1 | I314 P317 S803 G805 L809 A810 F811 L860 Y970 | I314-L807 HydrophobicContact CG2-CD1 3.46Å; I314-L807 VanDerWaalsContact CG2-CD1 3.46Å; I314-L807 HydrophobicContact CG2-CD2 3.48Å; I314-L807 VanDerWaalsContact CG2-CD2 3.48Å; I314-L807 HydrophobicContact CG2-CG 4.08Å; P317-L807 HydrophobicContact CG-CB 4.06Å; S803-L807 WeakPolarHBondContact O-CG 2.98Å; S803-L807 PolarHBondContact O-N 2.98Å; G805-L807 VanDerWaalsContact C-N 3.35Å; G805-L807 PolarHBondContact O-N 3.47Å; L807-L809 PolarHBondContact O-N 3.29Å; L807-A810 PolarHBondContact O-N 2.99Å; L807-F811 HydrophobicContact CB-CD2 4.17Å; L807-F811 HydrophobicContact CB-CE2 4.24Å; L807-F811 HydrophobicContact CD2-CE2 4.26Å; L807-F811 VanDerWaalsContact O-CD2 3.23Å; L807-F811 WeakPolarHBondContact O-CD2 3.5Å; L807-F811 PolarHBondContact O-N 2.98Å; L807-L860 HydrophobicContact CD2-CD1 4.05Å; L807-L860 HydrophobicContact CD2-CD2 4.3Å; L807-Y970 HydrophobicContact CD1-CE1 4.1Å; L807-Y970 WeakPolarHBondContact CD1-OH 2.91Å; L807-Y970 HydrophobicContact CD2-CE1 4.42Å; L807-Y970 WeakPolarHBondContact CG-OH 3.5Å |
| 808 | F | 84.2 | Confident | 80.9 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.5 | -40.1 | 177.4 | 172.1 | -109.8 | 0 | 0 | 0 | 112.1 | P317 T318 C741 L744 D745 I750 S804 G805 | P317-F808 HydrophobicContact CG-CB 4.2Å; T318-F808 HydrophobicContact CG2-CD2 4.07Å; T318-F808 HydrophobicContact CG2-CE2 4.38Å; C741-F808 HydrophobicContact CB-CB 4.23Å; C741-F808 HydrophobicContact CB-CD2 3.85Å; C741-F808 HydrophobicContact CB-CE2 4.49Å; C741-F808 HydrophobicContact CB-CG 4.08Å; L744-F808 HydrophobicContact CB-CE1 3.88Å; L744-F808 HydrophobicContact CB-CE2 4.37Å; L744-F808 HydrophobicContact CB-CZ 3.62Å; L744-F808 HydrophobicContact CD1-CD1 4.07Å; L744-F808 HydrophobicContact CD1-CE1 3.63Å; L744-F808 HydrophobicContact CD1-CZ 4.24Å; L744-F808 HydrophobicContact CG-CE1 4.44Å; D745-F808 HydrophobicContact CB-CE2 3.96Å; D745-F808 HydrophobicContact CB-CZ 4.45Å; I750-F808 HydrophobicContact CD1-CD1 4.27Å; I750-F808 HydrophobicContact CD1-CE1 3.54Å; I750-F808 HydrophobicContact CD1-CZ 3.85Å; I750-F808 HydrophobicContact CG1-CE1 3.95Å; I750-F808 HydrophobicContact CG1-CZ 4.38Å; S804-F808 WeakPolarHBondContact O-CB 3.48Å; S804-F808 PolarHBondContact O-N 3.24Å; G805-F808 WeakPolarHBondContact O-CB 3.32Å; G805-F808 PolarHBondContact O-N 3.3Å |
| 809 | L | 83.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.5 | -42.5 | 173.1 | -67.3 | 174.9 | 0 | 0 | 0 | 112.6 | I750 C800 G805 L806 L807 F811 R812 T816 L819 L853 | I750-L809 HydrophobicContact CD1-CD2 3.84Å; I750-L809 HydrophobicContact CG1-CD2 4.26Å; C800-L809 WeakPolarHBondContact SG-CD1 3.49Å; G805-L809 PolarHBondContact O-N 3.14Å; G805-L809 VanDerWaalsContact O-N 3.14Å; L806-L809 PolarHBondContact O-N 2.81Å; L807-L809 PolarHBondContact O-N 3.29Å; L809-F811 PolarHBondContact O-N 3.39Å; L809-R812 PolarHBondContact O-N 2.96Å; L809-T816 HydrophobicContact CB-CG2 3.85Å; L809-T816 HydrophobicContact CD2-CG2 3.68Å; L809-T816 HydrophobicContact CG-CG2 4.38Å; L809-T816 WeakPolarHBondContact O-CG2 3.47Å; L809-T816 PolarHBondContact O-OG1 2.81Å; L809-L819 HydrophobicContact CD2-CD2 4.49Å; L809-L853 HydrophobicContact CD1-CD1 4.06Å |
| 810 | A | 80.4 | Confident | 80.9 | Confident | 9 Ų | 9 | 27.8 Ų | 27.8 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -35.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F311 L806 L807 R812 I857 L860 | F311-A810 HydrophobicContact CE2-CB 4.03Å; F311-A810 HydrophobicContact CZ-CB 3.86Å; L806-A810 WeakPolarHBondContact O-CB 3.47Å; L806-A810 PolarHBondContact O-N 3.3Å; L807-A810 PolarHBondContact O-N 2.99Å; A810-R812 VanDerWaalsContact C-N 3.29Å; A810-R812 PolarHBondContact O-N 3.13Å; A810-I857 HydrophobicContact CB-CG1 4.41Å; A810-L860 HydrophobicContact CB-CD1 4.25Å |
| 811 | F | 79.6 | Confident | 80.8 | Confident | 36 Ų | 36 | 30.7 Ų | 30.7 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.4 | -180 | -82.1 | -81.8 | 0 | 0 | 0 | 114.9 | F311 I314 D316 L807 L809 P813 | F311-F811 HydrophobicContact CB-CE1 3.6Å; F311-F811 HydrophobicContact CB-CZ 3.5Å; F311-F811 VanDerWaalsContact CB-CZ 3.5Å; F311-F811 AromaticContact CD2-CD1 3.76Å; F311-F811 HydrophobicContact CD2-CD1 3.76Å; F311-F811 HydrophobicContact CD2-CD2 4.33Å; F311-F811 AromaticContact CD2-CE1 3.42Å; F311-F811 HydrophobicContact CD2-CE1 3.42Å; F311-F811 VanDerWaalsContact CD2-CE1 3.42Å; F311-F811 HydrophobicContact CD2-CE2 4Å; F311-F811 HydrophobicContact CD2-CG 4.2Å; F311-F811 AromaticContact CD2-CZ 3.51Å; F311-F811 HydrophobicContact CD2-CZ 3.51Å; F311-F811 HydrophobicContact CE2-CD1 4.46Å; F311-F811 HydrophobicContact CE2-CE1 4.44Å; F311-F811 HydrophobicContact CE2-CE2 4.5Å; F311-F811 HydrophobicContact CE2-CZ 4.41Å; F311-F811 AromaticContact CG-CE1 3.84Å; F311-F811 HydrophobicContact CG-CE1 3.84Å; F311-F811 HydrophobicContact CG-CE2 4.3Å; F311-F811 AromaticContact CG-CZ 3.62Å; F311-F811 HydrophobicContact CG-CZ 3.62Å; I314-F811 HydrophobicContact CB-CZ 4.37Å; I314-F811 HydrophobicContact CG2-CE2 3.96Å; I314-F811 HydrophobicContact CG2-CZ 4.15Å; I314-F811 VanDerWaalsContact O-CZ 3.24Å; I314-F811 WeakPolarHBondContact O-CZ 3.42Å; D316-F811 HydrophobicContact CB-CB 4.34Å; D316-F811 HydrophobicContact CB-CD1 3.65Å; D316-F811 HydrophobicContact CB-CD2 4.04Å; D316-F811 HydrophobicContact CB-CE1 3.88Å; D316-F811 HydrophobicContact CB-CE2 4.31Å; D316-F811 HydrophobicContact CB-CG 3.74Å; D316-F811 HydrophobicContact CB-CZ 4.24Å; L807-F811 HydrophobicContact CB-CD2 4.17Å; L807-F811 HydrophobicContact CB-CE2 4.24Å; L807-F811 HydrophobicContact CD2-CE2 4.26Å; L807-F811 VanDerWaalsContact O-CD2 3.23Å; L807-F811 WeakPolarHBondContact O-CD2 3.5Å; L807-F811 PolarHBondContact O-N 2.98Å; L809-F811 PolarHBondContact O-N 3.39Å; F811-P813 WeakPolarHBondContact O-CD 3.32Å |
| 812 | R | 80.6 | Confident | 80.8 | Confident | 69 Ų | 69 | 27.4 Ų | 27.4 | 26% | 0.26 | 14% | 0.14 | S | C | . | . | trans | -124.8 | 61.2 | 179.4 | -63 | -67.2 | -175.7 | -94.8 | -3.6 | 111.3 | D316 D745 L809 A810 E814 S815 T816 | D316-R812 IonicContact OD2-CZ 3.79Å; D316-R812 IonicContact OD2-NH1 2.81Å; D316-R812 PolarHBondContact OD2-NH1 3.33Å; D316-R812 IonicContact OD2-NH2 2.82Å; D316-R812 PolarHBondContact OD2-NH2 3Å; D745-R812 IonicContact OD1-CZ 3.68Å; D745-R812 IonicContact OD1-NE 3.47Å; D745-R812 PolarHBondContact OD1-NE 2.7Å; D745-R812 VanDerWaalsContact OD1-NE 3.14Å; D745-R812 IonicContact OD1-NH2 3.34Å; D745-R812 IonicContact OD2-CZ 3.65Å; D745-R812 IonicContact OD2-NE 3.37Å; D745-R812 PolarHBondContact OD2-NE 3.17Å; D745-R812 IonicContact OD2-NH2 2.82Å; D745-R812 PolarHBondContact OD2-NH2 3.43Å; L809-R812 PolarHBondContact O-N 2.96Å; A810-R812 VanDerWaalsContact C-N 3.29Å; A810-R812 PolarHBondContact O-N 3.13Å; R812-E814 PolarHBondContact O-N 2.84Å; R812-S815 PolarHBondContact O-N 3.23Å; R812-T816 PolarHBondContact O-N 3.23Å; R812-T816 PolarHBondContact O-OG1 3.07Å; R812-T816 VanDerWaalsContact O-OG1 3.08Å | ||
| 813 | P | 74.5 | Confident | 81 | Confident | 30 Ų | 30 | 24.4 Ų | 24.4 | 20% | 0.195 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.9 | -33.3 | -175.3 | 25.1 | -34.8 | 0 | 0 | 0 | 113.1 | F307 F811 S815 T816 S817 | F307-P813 WeakPolarHBondContact O-CG 3.5Å; F811-P813 WeakPolarHBondContact O-CD 3.32Å; P813-S815 VanDerWaalsContact C-N 3.26Å; P813-S815 PolarHBondContact O-N 3.49Å; P813-T816 WeakPolarHBondContact CA-OG1 3.44Å; P813-T816 PolarHBondContact O-N 3.35Å; P813-S817 WeakPolarHBondContact O-CB 3.19Å; P813-S817 PolarHBondContact O-N 3.32Å |
| 814 | E | 77.9 | Confident | 80.9 | Confident | 174 Ų | 174 | 23.9 Ų | 23.9 | 81% | 0.813 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -61.2 | -33.8 | 177.7 | -62.4 | -176.5 | 179.1 | 0 | 0 | 112.8 | R812 P818 | R812-E814 PolarHBondContact O-N 2.84Å; E814-P818 WeakPolarHBondContact O-CD 2.99Å; E814-P818 WeakPolarHBondContact O-CG 3.41Å |
| 815 | S | 81.5 | Confident | 80.8 | Confident | 21 Ų | 21 | 27.4 Ų | 27.4 | 15% | 0.147 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -94.2 | -29.7 | 178.4 | -72 | 0 | 0 | 0 | 0 | 113.1 | I750 N751 R812 P813 P818 L819 | I750-S815 WeakPolarHBondContact CG2-O 3.4Å; N751-S815 PolarHBondContact ND2-OG 2.96Å; N751-S815 WeakPolarHBondContact OD1-CB 3.48Å; N751-S815 PolarHBondContact OD1-OG 3.47Å; R812-S815 PolarHBondContact O-N 3.23Å; P813-S815 VanDerWaalsContact C-N 3.26Å; P813-S815 PolarHBondContact O-N 3.49Å; S815-P818 WeakPolarHBondContact O-CD 3.23Å; S815-P818 VanDerWaalsContact O-CG 3.26Å; S815-P818 WeakPolarHBondContact O-CG 3.49Å; S815-L819 PolarHBondContact O-N 3.1Å |
| 816 | T | 82.3 | Confident | 80.4 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -82.9 | -29.2 | 179.5 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | I750 L809 R812 P813 L819 I820 | I750-T816 HydrophobicContact CD1-CG2 4.31Å; L809-T816 HydrophobicContact CB-CG2 3.85Å; L809-T816 HydrophobicContact CD2-CG2 3.68Å; L809-T816 HydrophobicContact CG-CG2 4.38Å; L809-T816 WeakPolarHBondContact O-CG2 3.47Å; L809-T816 PolarHBondContact O-OG1 2.81Å; R812-T816 PolarHBondContact O-N 3.23Å; R812-T816 PolarHBondContact O-OG1 3.07Å; R812-T816 VanDerWaalsContact O-OG1 3.08Å; P813-T816 WeakPolarHBondContact CA-OG1 3.44Å; P813-T816 PolarHBondContact O-N 3.35Å; T816-L819 WeakPolarHBondContact O-CB 3.46Å; T816-L819 PolarHBondContact O-N 3Å; T816-I820 VanDerWaalsContact O-CG1 3.31Å; T816-I820 WeakPolarHBondContact O-CG1 3.4Å; T816-I820 PolarHBondContact O-N 3.49Å |
| 817 | S | 80.5 | Confident | 79.7 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.4 | -53.5 | 169.9 | -177.1 | 0 | 0 | 0 | 0 | 113 | I300 Y303 P813 L819 I820 K821 | I300-S817 PolarHBondContact O-OG 2.71Å; Y303-S817 WeakPolarHBondContact CB-OG 3.42Å; P813-S817 WeakPolarHBondContact O-CB 3.19Å; P813-S817 PolarHBondContact O-N 3.32Å; S817-L819 VanDerWaalsContact C-N 3.28Å; S817-L819 PolarHBondContact O-N 2.96Å; S817-I820 PolarHBondContact O-N 3.48Å; S817-K821 WeakPolarHBondContact O-CG 3.25Å; S817-K821 PolarHBondContact O-N 3.5Å |
| 818 | P | 81.7 | Confident | 79 | Confident | 42 Ų | 42 | 29.5 Ų | 29.5 | 27% | 0.273 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -68.6 | -27.1 | 177.9 | 30.3 | -37.7 | 0 | 0 | 0 | 112.2 | T754 E814 S815 A822 | T754-P818 HydrophobicContact CG2-CB 4.02Å; T754-P818 WeakPolarHBondContact CG2-O 3.33Å; E814-P818 WeakPolarHBondContact O-CD 2.99Å; E814-P818 WeakPolarHBondContact O-CG 3.41Å; S815-P818 WeakPolarHBondContact O-CD 3.23Å; S815-P818 VanDerWaalsContact O-CG 3.26Å; S815-P818 WeakPolarHBondContact O-CG 3.49Å; P818-A822 VanDerWaalsContact O-CB 3.26Å; P818-A822 WeakPolarHBondContact O-CB 3.26Å; P818-A822 PolarHBondContact O-N 2.89Å |
| 819 | L | 83.8 | Confident | 78.1 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -46.5 | 171.2 | -179.1 | 68.8 | 0 | 0 | 0 | 111.6 | I750 T754 L796 L809 S815 T816 S817 A822 C823 | I750-L819 HydrophobicContact CG2-CB 4.37Å; I750-L819 HydrophobicContact CG2-CD2 4.3Å; T754-L819 WeakPolarHBondContact OG1-CA 3.46Å; T754-L819 WeakPolarHBondContact OG1-CB 3.44Å; L796-L819 HydrophobicContact CD1-CD1 4.14Å; L796-L819 HydrophobicContact CD1-CD2 4.5Å; L796-L819 HydrophobicContact CD2-CD2 3.95Å; L809-L819 HydrophobicContact CD2-CD2 4.49Å; S815-L819 PolarHBondContact O-N 3.1Å; T816-L819 WeakPolarHBondContact O-CB 3.46Å; T816-L819 PolarHBondContact O-N 3Å; S817-L819 VanDerWaalsContact C-N 3.28Å; S817-L819 PolarHBondContact O-N 2.96Å; L819-A822 PolarHBondContact O-N 3.37Å; L819-C823 PolarHBondContact O-N 3.45Å; L819-C823 PolarHBondContact O-SG 3.45Å |
| 820 | I | 82.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.1 | -69 | 165.7 | 0 | 0 | 0 | 109.9 | I300 T816 S817 A822 C823 L824 L853 I854 I857 | I300-I820 HydrophobicContact CG1-CG2 4.31Å; T816-I820 VanDerWaalsContact O-CG1 3.31Å; T816-I820 WeakPolarHBondContact O-CG1 3.4Å; T816-I820 PolarHBondContact O-N 3.49Å; S817-I820 PolarHBondContact O-N 3.48Å; I820-A822 PolarHBondContact O-N 3.26Å; I820-C823 PolarHBondContact O-N 3.47Å; I820-L824 HydrophobicContact CG2-CD1 3.89Å; I820-L824 HydrophobicContact CG2-CG 4.48Å; I820-L824 WeakPolarHBondContact O-CG 3.46Å; I820-L824 PolarHBondContact O-N 3.41Å; I820-L853 HydrophobicContact CD1-CD2 4.12Å; I820-L853 HydrophobicContact CD1-CG 4.26Å; I820-L853 HydrophobicContact CG1-CD2 3.78Å; I820-L853 HydrophobicContact CG1-CG 4.33Å; I820-I854 HydrophobicContact CD1-CG1 4.13Å; I820-I854 HydrophobicContact CG2-CD1 3.72Å; I820-I854 HydrophobicContact CG2-CG1 3.88Å; I820-I857 HydrophobicContact CD1-CD1 4.38Å |
| 821 | K | 81.6 | Confident | 76.1 | Confident | 63 Ų | 63 | 31.9 Ų | 31.9 | 27% | 0.274 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -55.8 | -49.4 | 173.6 | -75.4 | 176.3 | 177.4 | 175.7 | 0 | 111.4 | I300 S817 L824 Q825 | I300-K821 HydrophobicContact CG2-CD 3.89Å; I300-K821 HydrophobicContact CG2-CG 3.24Å; I300-K821 WeakPolarHBondContact O-CE 3.5Å; I300-K821 PolarHBondContact O-NZ 3.11Å; S817-K821 WeakPolarHBondContact O-CG 3.25Å; S817-K821 PolarHBondContact O-N 3.5Å; K821-L824 PolarHBondContact O-N 2.89Å; K821-Q825 WeakPolarHBondContact O-CB 3.34Å; K821-Q825 PolarHBondContact O-N 3.34Å |
| 822 | A | 80.5 | Confident | 74.9 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T754 L757 N758 P818 L819 I820 L824 Q825 T826 | T754-A822 HydrophobicContact CG2-CB 4.04Å; L757-A822 HydrophobicContact CB-CB 4.49Å; L757-A822 HydrophobicContact CD2-CB 3.8Å; L757-A822 HydrophobicContact CG-CB 4.26Å; N758-A822 WeakPolarHBondContact OD1-CB 3.26Å; P818-A822 VanDerWaalsContact O-CB 3.26Å; P818-A822 WeakPolarHBondContact O-CB 3.26Å; P818-A822 PolarHBondContact O-N 2.89Å; L819-A822 PolarHBondContact O-N 3.37Å; I820-A822 PolarHBondContact O-N 3.26Å; A822-L824 PolarHBondContact O-N 3.32Å; A822-Q825 PolarHBondContact O-N 3.39Å; A822-T826 WeakPolarHBondContact O-CG2 3.16Å; A822-T826 PolarHBondContact O-N 3.4Å |
| 823 | C | 81.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 176.4 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | L819 I820 T826 Y846 | L819-C823 PolarHBondContact O-N 3.45Å; L819-C823 PolarHBondContact O-SG 3.45Å; I820-C823 PolarHBondContact O-N 3.47Å; C823-T826 PolarHBondContact O-N 3.44Å; C823-T826 PolarHBondContact O-OG1 3.28Å; C823-Y846 HydrophobicContact CB-CD1 4.28Å |
| 824 | L | 78.1 | Confident | 72.2 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.7 | -33.9 | 179.4 | -64.1 | 173.3 | 0 | 0 | 0 | 112.6 | F297 I300 I820 K821 A822 F827 S828 L847 I854 | F297-L824 HydrophobicContact CE1-CD1 4.41Å; I300-L824 HydrophobicContact CD1-CD1 3.2Å; I300-L824 HydrophobicContact CG1-CD1 3.95Å; I820-L824 HydrophobicContact CG2-CD1 3.89Å; I820-L824 HydrophobicContact CG2-CG 4.48Å; I820-L824 WeakPolarHBondContact O-CG 3.46Å; I820-L824 PolarHBondContact O-N 3.41Å; K821-L824 PolarHBondContact O-N 2.89Å; A822-L824 PolarHBondContact O-N 3.32Å; L824-F827 WeakPolarHBondContact O-CB 3.4Å; L824-F827 PolarHBondContact O-N 3.48Å; L824-S828 PolarHBondContact O-N 3.17Å; L824-S828 VanDerWaalsContact O-N 3.13Å; L824-L847 HydrophobicContact CD2-CD1 3.75Å; L824-I854 HydrophobicContact CD1-CD1 4.28Å |
| 825 | Q | 75.1 | Confident | 71 | Confident | 84 Ų | 84 | 30.9 Ų | 30.9 | 39% | 0.393 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69.4 | -34.3 | 175.6 | -171.9 | 176.3 | 5.4 | 0 | 0 | 112.1 | K821 A822 F827 S828 N829 | K821-Q825 WeakPolarHBondContact O-CB 3.34Å; K821-Q825 PolarHBondContact O-N 3.34Å; A822-Q825 PolarHBondContact O-N 3.39Å; Q825-F827 PolarHBondContact O-N 3.25Å; Q825-S828 WeakPolarHBondContact CA-OG 3.42Å; Q825-S828 PolarHBondContact O-N 2.98Å; Q825-S828 PolarHBondContact O-OG 3.21Å; Q825-N829 WeakPolarHBondContact O-CB 3.37Å; Q825-N829 VanDerWaalsContact O-CG 3.29Å; Q825-N829 PolarHBondContact O-N 3.48Å; Q825-N829 PolarHBondContact O-OD1 3.43Å |
| 826 | T | 72.7 | Confident | 69.6 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.7 | -38.8 | 172.6 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | L757 T761 A822 C823 I830 Y846 | L757-T826 HydrophobicContact CD1-CG2 3.54Å; L757-T826 HydrophobicContact CD2-CG2 3.95Å; L757-T826 HydrophobicContact CG-CG2 3.59Å; T761-T826 HydrophobicContact CG2-CG2 3.2Å; A822-T826 WeakPolarHBondContact O-CG2 3.16Å; A822-T826 PolarHBondContact O-N 3.4Å; C823-T826 PolarHBondContact O-N 3.44Å; C823-T826 PolarHBondContact O-OG1 3.28Å; T826-I830 WeakPolarHBondContact O-CB 3.47Å; T826-I830 WeakPolarHBondContact O-CD1 3.37Å; T826-I830 WeakPolarHBondContact O-CG1 3.48Å; T826-I830 PolarHBondContact O-N 3.04Å; T826-Y846 VanDerWaalsContact OG1-CB 3.3Å; T826-Y846 WeakPolarHBondContact OG1-CB 3.17Å |
| 827 | F | 70 | Confident | 68.4 | Low | 15 Ų | 15 | 42.7 Ų | 42.7 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.4 | -47.8 | 176.7 | 174.6 | -96.8 | 0 | 0 | 0 | 112.2 | L824 Q825 N829 I830 M831 A843 L847 I945 | L824-F827 WeakPolarHBondContact O-CB 3.4Å; L824-F827 PolarHBondContact O-N 3.48Å; Q825-F827 PolarHBondContact O-N 3.25Å; F827-N829 VanDerWaalsContact C-N 3.31Å; F827-N829 PolarHBondContact O-N 3.2Å; F827-I830 PolarHBondContact O-N 3.3Å; F827-M831 HydrophobicContact CD2-CE 4.39Å; F827-M831 HydrophobicContact CD2-CG 3.85Å; F827-M831 HydrophobicContact CE1-CG 4.39Å; F827-M831 HydrophobicContact CE2-CE 3.72Å; F827-M831 HydrophobicContact CE2-CG 3.49Å; F827-M831 VanDerWaalsContact CE2-CG 3.49Å; F827-M831 HydrophobicContact CE2-SD 4.42Å; F827-M831 HydrophobicContact CG-CG 4.46Å; F827-M831 HydrophobicContact CZ-CG 3.79Å; F827-M831 WeakPolarHBondContact O-CB 3.48Å; F827-M831 PolarHBondContact O-N 3.31Å; F827-A843 HydrophobicContact CD2-CB 4.23Å; F827-A843 WeakPolarHBondContact CD2-O 3.45Å; F827-L847 HydrophobicContact CB-CB 4.03Å; F827-L847 HydrophobicContact CD1-CB 4.42Å; F827-L847 HydrophobicContact CD1-CD1 4.12Å; F827-L847 HydrophobicContact CD1-CD2 4.1Å; F827-L847 HydrophobicContact CD1-CG 4.43Å; F827-L847 HydrophobicContact CD2-CB 3.64Å; F827-L847 HydrophobicContact CD2-CD2 3.8Å; F827-L847 HydrophobicContact CD2-CG 4.24Å; F827-L847 HydrophobicContact CE1-CD1 4.42Å; F827-L847 HydrophobicContact CE1-CD2 3.78Å; F827-L847 HydrophobicContact CE2-CB 4.15Å; F827-L847 HydrophobicContact CE2-CD2 3.44Å; F827-L847 VanDerWaalsContact CE2-CD2 3.44Å; F827-L847 HydrophobicContact CE2-CG 4.36Å; F827-L847 HydrophobicContact CG-CB 3.77Å; F827-L847 HydrophobicContact CG-CD1 4.29Å; F827-L847 HydrophobicContact CG-CD2 4.1Å; F827-L847 HydrophobicContact CG-CG 4.26Å; F827-L847 HydrophobicContact CZ-CD2 3.43Å; F827-L847 VanDerWaalsContact CZ-CD2 3.43Å; F827-I945 HydrophobicContact CE1-CB 4.46Å; F827-I945 HydrophobicContact CE1-CD1 4.4Å; F827-I945 HydrophobicContact CE1-CG1 4.23Å; F827-I945 HydrophobicContact CE1-CG2 3.49Å; F827-I945 VanDerWaalsContact CE1-CG2 3.49Å; F827-I945 HydrophobicContact CZ-CB 4.22Å; F827-I945 HydrophobicContact CZ-CD1 4.38Å; F827-I945 HydrophobicContact CZ-CG1 3.82Å; F827-I945 HydrophobicContact CZ-CG2 3.62Å |
| 828 | S | 67.2 | Low | 67.4 | Low | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.1 | -43.9 | -180 | 61 | 0 | 0 | 0 | 0 | 111.8 | L824 Q825 L832 | L824-S828 PolarHBondContact O-N 3.17Å; L824-S828 VanDerWaalsContact O-N 3.13Å; Q825-S828 WeakPolarHBondContact CA-OG 3.42Å; Q825-S828 PolarHBondContact O-N 2.98Å; Q825-S828 PolarHBondContact O-OG 3.21Å; S828-L832 WeakPolarHBondContact O-CB 3.29Å; S828-L832 WeakPolarHBondContact O-CD1 3.34Å; S828-L832 WeakPolarHBondContact O-CG 3.49Å; S828-L832 PolarHBondContact O-N 3.1Å |
| 829 | N | 65.8 | Low | 66.6 | Low | 32 Ų | 32 | 46.1 Ų | 46.1 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.4 | -41.9 | -175.7 | -65.5 | 3.6 | 0 | 0 | 0 | 112 | Q825 F827 | Q825-N829 WeakPolarHBondContact O-CB 3.37Å; Q825-N829 VanDerWaalsContact O-CG 3.29Å; Q825-N829 PolarHBondContact O-N 3.48Å; Q825-N829 PolarHBondContact O-OD1 3.43Å; F827-N829 VanDerWaalsContact C-N 3.31Å; F827-N829 PolarHBondContact O-N 3.2Å |
| 830 | I | 62.5 | Low | 65.9 | Low | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.4 | -35.8 | -176.9 | -64.4 | 168.5 | 0 | 0 | 0 | 111.8 | T826 F827 T835 A843 | T826-I830 WeakPolarHBondContact O-CB 3.47Å; T826-I830 WeakPolarHBondContact O-CD1 3.37Å; T826-I830 WeakPolarHBondContact O-CG1 3.48Å; T826-I830 PolarHBondContact O-N 3.04Å; F827-I830 PolarHBondContact O-N 3.3Å; I830-T835 PolarHBondContact O-OG1 3.49Å; I830-A843 HydrophobicContact CB-CB 3.75Å; I830-A843 HydrophobicContact CD1-CB 3.95Å; I830-A843 HydrophobicContact CG1-CB 4.44Å; I830-A843 HydrophobicContact CG2-CB 3.72Å |
| 831 | M | 59 | Low | 65.2 | Low | 27 Ų | 27 | 53.3 Ų | 53.3 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -78.8 | -28.5 | -179.4 | -76.4 | -65.8 | -173.8 | 0 | 0 | 113.9 | F827 K833 K840 S844 N941 I945 | F827-M831 HydrophobicContact CD2-CE 4.39Å; F827-M831 HydrophobicContact CD2-CG 3.85Å; F827-M831 HydrophobicContact CE1-CG 4.39Å; F827-M831 HydrophobicContact CE2-CE 3.72Å; F827-M831 HydrophobicContact CE2-CG 3.49Å; F827-M831 VanDerWaalsContact CE2-CG 3.49Å; F827-M831 HydrophobicContact CE2-SD 4.42Å; F827-M831 HydrophobicContact CG-CG 4.46Å; F827-M831 HydrophobicContact CZ-CG 3.79Å; F827-M831 WeakPolarHBondContact O-CB 3.48Å; F827-M831 PolarHBondContact O-N 3.31Å; M831-K833 PolarHBondContact O-N 3.36Å; M831-K840 HydrophobicContact CE-CB 4.22Å; M831-K840 HydrophobicContact SD-CG 4.29Å; M831-S844 WeakPolarHBondContact CE-OG 3.25Å; M831-N941 PolarHBondContact O-ND2 3.44Å; M831-I945 HydrophobicContact CB-CD1 3.73Å; M831-I945 HydrophobicContact CB-CG1 4.34Å; M831-I945 HydrophobicContact CG-CD1 4.33Å; M831-I945 HydrophobicContact CG-CG1 4.42Å |
| 832 | L | 53.4 | Low | 64.7 | Low | 93 Ų | 93 | 51.2 Ų | 51.2 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -70 | -13.9 | 176.7 | -75.9 | 172.6 | 0 | 0 | 0 | 113.1 | S828 | S828-L832 WeakPolarHBondContact O-CB 3.29Å; S828-L832 WeakPolarHBondContact O-CD1 3.34Å; S828-L832 WeakPolarHBondContact O-CG 3.49Å; S828-L832 PolarHBondContact O-N 3.1Å |
| 833 | K | 54.3 | Low | 64.4 | Low | 55 Ų | 55 | 51.1 Ų | 51.1 | 24% | 0.239 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -115 | 136.7 | 179.3 | -67 | 179.1 | 177 | 175.1 | 0 | 110.6 | E765 L768 M831 T835 | E765-K833 WeakPolarHBondContact OE1-CE 3.44Å; E765-K833 IonicContact OE1-NZ 3.2Å; E765-K833 PolarHBondContact OE1-NZ 3.46Å; E765-K833 IonicContact OE2-NZ 3.99Å; E765-K833 PolarHBondContact OE2-NZ 2.9Å; L768-K833 HydrophobicContact CD1-CB 4.39Å; L768-K833 HydrophobicContact CD1-CD 3.87Å; M831-K833 PolarHBondContact O-N 3.36Å; K833-T835 HydrophobicContact CB-CG2 4Å; K833-T835 PolarHBondContact O-N 3.32Å; K833-T835 PolarHBondContact O-OG1 3.37Å |
| 834 | D | 44.7 | Very low | 64 | Low | 123 Ų | 123 | 51.9 Ų | 51.9 | 66% | 0.658 | 27% | 0.27 | S | S | * | . | trans | -68.5 | 72.3 | 179.3 | -90 | -27.9 | 0 | 0 | 0 | 112 | ||||
| 835 | T | 51.6 | Low | 64.2 | Low | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.104 | 28% | 0.281 | C | S | . | . | trans | -94.9 | 160.7 | -175.9 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | L768 I830 K833 S839 K840 | L768-T835 HydrophobicContact CD1-CG2 4.05Å; I830-T835 PolarHBondContact O-OG1 3.49Å; K833-T835 HydrophobicContact CB-CG2 4Å; K833-T835 PolarHBondContact O-N 3.32Å; K833-T835 PolarHBondContact O-OG1 3.37Å; T835-S839 VanDerWaalsContact CB-OG 3.22Å; T835-S839 WeakPolarHBondContact CB-OG 3.42Å; T835-S839 PolarHBondContact OG1-OG 2.92Å; T835-K840 VanDerWaalsContact O-CE 3.3Å; T835-K840 WeakPolarHBondContact O-CE 3.24Å | ||
| 836 | M | 52.9 | Low | 64.6 | Low | 149 Ų | 149 | 50 Ų | 50 | 73% | 0.734 | 26% | 0.263 | S | S | * | . | trans | -49.3 | 149 | 178.5 | -69.4 | -76.7 | -178.9 | 0 | 0 | 112.7 | N838 S839 | M836-N838 PolarHBondContact O-N 3.08Å; M836-S839 PolarHBondContact O-N 3.31Å; M836-S839 VanDerWaalsContact O-N 3.12Å; M836-S839 PolarHBondContact O-OG 2.68Å | ||
| 837 | N | 56 | Low | 65 | Low | 124 Ų | 124 | 50.2 Ų | 50.2 | 66% | 0.663 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -53.5 | -30.4 | -177.7 | -72 | -6.7 | 0 | 0 | 0 | 114.7 | I841 | N837-I841 WeakPolarHBondContact O-CG1 3.48Å; N837-I841 PolarHBondContact O-N 2.94Å |
| 838 | N | 59.9 | Low | 65.5 | Low | 112 Ų | 112 | 51.6 Ų | 51.6 | 60% | 0.599 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.9 | -37.7 | -178.8 | -69.7 | -9.1 | 0 | 0 | 0 | 113.1 | M836 K840 I841 V842 | M836-N838 PolarHBondContact O-N 3.08Å; N838-K840 VanDerWaalsContact C-N 3.33Å; N838-I841 PolarHBondContact O-N 2.84Å; N838-V842 PolarHBondContact O-N 3Å |
| 839 | S | 65.8 | Low | 66.3 | Low | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.7 | -36 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | T835 M836 I841 V842 A843 | T835-S839 VanDerWaalsContact CB-OG 3.22Å; T835-S839 WeakPolarHBondContact CB-OG 3.42Å; T835-S839 PolarHBondContact OG1-OG 2.92Å; M836-S839 PolarHBondContact O-N 3.31Å; M836-S839 VanDerWaalsContact O-N 3.12Å; M836-S839 PolarHBondContact O-OG 2.68Å; S839-I841 VanDerWaalsContact C-N 3.32Å; S839-I841 PolarHBondContact O-N 3.24Å; S839-V842 PolarHBondContact O-N 3.21Å; S839-A843 WeakPolarHBondContact O-CB 3.38Å; S839-A843 PolarHBondContact O-N 3.45Å |
| 840 | K | 68.1 | Low | 67.1 | Low | 56 Ų | 56 | 48 Ų | 48 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -40.6 | 174.8 | -66.8 | -174.3 | 176.6 | -178.2 | 0 | 112.4 | M831 T835 N838 S844 | M831-K840 HydrophobicContact CE-CB 4.22Å; M831-K840 HydrophobicContact SD-CG 4.29Å; T835-K840 VanDerWaalsContact O-CE 3.3Å; T835-K840 WeakPolarHBondContact O-CE 3.24Å; N838-K840 VanDerWaalsContact C-N 3.33Å; K840-S844 WeakPolarHBondContact O-CB 3.38Å; K840-S844 PolarHBondContact O-N 3.38Å; K840-S844 PolarHBondContact O-OG 3.43Å |
| 841 | I | 68.8 | Low | 67.9 | Low | 97 Ų | 97 | 47.8 Ų | 47.8 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -45.2 | 177.3 | -63.1 | 164.2 | 0 | 0 | 0 | 110.9 | N837 N838 S839 S844 N845 | N837-I841 WeakPolarHBondContact O-CG1 3.48Å; N837-I841 PolarHBondContact O-N 2.94Å; N838-I841 PolarHBondContact O-N 2.84Å; S839-I841 VanDerWaalsContact C-N 3.32Å; S839-I841 PolarHBondContact O-N 3.24Å; I841-S844 WeakPolarHBondContact O-CB 3.47Å; I841-S844 PolarHBondContact O-N 2.9Å; I841-N845 VanDerWaalsContact O-CG 3.28Å; I841-N845 PolarHBondContact O-N 2.96Å; I841-N845 PolarHBondContact O-OD1 3.16Å |
| 842 | V | 70.5 | Confident | 69.1 | Low | 19 Ų | 19 | 47.4 Ų | 47.4 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 178.6 | 175 | 0 | 0 | 0 | 0 | 110.8 | N786 Q789 N838 S839 S844 N845 Y846 | N786-V842 HydrophobicContact CB-CG2 4.49Å; Q789-V842 HydrophobicContact CB-CG1 3.81Å; N838-V842 PolarHBondContact O-N 3Å; S839-V842 PolarHBondContact O-N 3.21Å; V842-S844 VanDerWaalsContact C-N 3.35Å; V842-S844 PolarHBondContact O-N 2.98Å; V842-N845 WeakPolarHBondContact O-CB 3.48Å; V842-N845 PolarHBondContact O-N 2.82Å; V842-Y846 HydrophobicContact CG1-CD2 3.93Å; V842-Y846 HydrophobicContact CG1-CE2 3.65Å; V842-Y846 VanDerWaalsContact O-CD2 3.27Å; V842-Y846 WeakPolarHBondContact O-CD2 3.43Å; V842-Y846 PolarHBondContact O-N 3.46Å; V842-Y846 VanDerWaalsContact O-N 3.13Å |
| 843 | A | 73.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F827 I830 S839 N845 Y846 L847 | F827-A843 HydrophobicContact CD2-CB 4.23Å; F827-A843 WeakPolarHBondContact CD2-O 3.45Å; I830-A843 HydrophobicContact CB-CB 3.75Å; I830-A843 HydrophobicContact CD1-CB 3.95Å; I830-A843 HydrophobicContact CG1-CB 4.44Å; I830-A843 HydrophobicContact CG2-CB 3.72Å; S839-A843 WeakPolarHBondContact O-CB 3.38Å; S839-A843 PolarHBondContact O-N 3.45Å; A843-N845 VanDerWaalsContact C-N 3.29Å; A843-N845 PolarHBondContact O-N 3.19Å; A843-Y846 PolarHBondContact O-N 3.22Å; A843-L847 PolarHBondContact O-N 3.04Å |
| 844 | S | 74.5 | Confident | 71.8 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -38.9 | 175.8 | -81.8 | 0 | 0 | 0 | 0 | 112.9 | M831 K840 I841 V842 L847 I848 Y948 | M831-S844 WeakPolarHBondContact CE-OG 3.25Å; K840-S844 WeakPolarHBondContact O-CB 3.38Å; K840-S844 PolarHBondContact O-N 3.38Å; K840-S844 PolarHBondContact O-OG 3.43Å; I841-S844 WeakPolarHBondContact O-CB 3.47Å; I841-S844 PolarHBondContact O-N 2.9Å; V842-S844 VanDerWaalsContact C-N 3.35Å; V842-S844 PolarHBondContact O-N 2.98Å; S844-L847 PolarHBondContact O-N 3.48Å; S844-I848 VanDerWaalsContact O-CG1 3.28Å; S844-I848 WeakPolarHBondContact O-CG1 3.41Å; S844-I848 PolarHBondContact O-N 2.63Å; S844-Y948 WeakPolarHBondContact CB-OH 3.39Å |
| 845 | N | 81.3 | Confident | 73.6 | Confident | 62 Ų | 62 | 34.6 Ų | 34.6 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 177.4 | -68.5 | -12.6 | 0 | 0 | 0 | 112 | H793 I841 V842 A843 L847 I848 F849 | H793-N845 PolarHBondContact NE2-O 3.25Å; I841-N845 VanDerWaalsContact O-CG 3.28Å; I841-N845 PolarHBondContact O-N 2.96Å; I841-N845 PolarHBondContact O-OD1 3.16Å; V842-N845 WeakPolarHBondContact O-CB 3.48Å; V842-N845 PolarHBondContact O-N 2.82Å; A843-N845 VanDerWaalsContact C-N 3.29Å; A843-N845 PolarHBondContact O-N 3.19Å; N845-L847 VanDerWaalsContact C-N 3.33Å; N845-L847 PolarHBondContact O-N 3.25Å; N845-I848 WeakPolarHBondContact O-CB 3.35Å; N845-I848 PolarHBondContact O-N 2.91Å; N845-F849 WeakPolarHBondContact O-CB 3.26Å; N845-F849 PolarHBondContact O-N 3.07Å |
| 846 | Y | 82.9 | Confident | 75.2 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -34.6 | 175.6 | -79.3 | -69.7 | 0 | 0 | 0 | 113.6 | L757 Q789 H793 C823 T826 V842 A843 G850 | L757-Y846 HydrophobicContact CD1-CE1 4.02Å; L757-Y846 HydrophobicContact CD1-CE2 4.28Å; L757-Y846 WeakPolarHBondContact CD1-OH 3.41Å; L757-Y846 HydrophobicContact CD2-CE1 4.18Å; Q789-Y846 VanDerWaalsContact C-OH 3.26Å; Q789-Y846 WeakPolarHBondContact CA-OH 3.28Å; Q789-Y846 HydrophobicContact CB-CE2 3.88Å; Q789-Y846 WeakPolarHBondContact CB-OH 3.35Å; Q789-Y846 HydrophobicContact CG-CE2 4.14Å; Q789-Y846 PolarHBondContact O-OH 3.26Å; H793-Y846 HydrophobicContact CB-CE1 4.17Å; C823-Y846 HydrophobicContact CB-CD1 4.28Å; T826-Y846 VanDerWaalsContact OG1-CB 3.3Å; T826-Y846 WeakPolarHBondContact OG1-CB 3.17Å; V842-Y846 HydrophobicContact CG1-CD2 3.93Å; V842-Y846 HydrophobicContact CG1-CE2 3.65Å; V842-Y846 VanDerWaalsContact O-CD2 3.27Å; V842-Y846 WeakPolarHBondContact O-CD2 3.43Å; V842-Y846 PolarHBondContact O-N 3.46Å; V842-Y846 VanDerWaalsContact O-N 3.13Å; A843-Y846 PolarHBondContact O-N 3.22Å; Y846-G850 PolarHBondContact O-N 3.37Å |
| 847 | L | 81.6 | Confident | 76.6 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 171.5 | 174.8 | 66.3 | 0 | 0 | 0 | 111 | L824 F827 A843 S844 N845 G850 L851 Y948 V949 | L824-L847 HydrophobicContact CD2-CD1 3.75Å; F827-L847 HydrophobicContact CB-CB 4.03Å; F827-L847 HydrophobicContact CD1-CB 4.42Å; F827-L847 HydrophobicContact CD1-CD1 4.12Å; F827-L847 HydrophobicContact CD1-CD2 4.1Å; F827-L847 HydrophobicContact CD1-CG 4.43Å; F827-L847 HydrophobicContact CD2-CB 3.64Å; F827-L847 HydrophobicContact CD2-CD2 3.8Å; F827-L847 HydrophobicContact CD2-CG 4.24Å; F827-L847 HydrophobicContact CE1-CD1 4.42Å; F827-L847 HydrophobicContact CE1-CD2 3.78Å; F827-L847 HydrophobicContact CE2-CB 4.15Å; F827-L847 HydrophobicContact CE2-CD2 3.44Å; F827-L847 VanDerWaalsContact CE2-CD2 3.44Å; F827-L847 HydrophobicContact CE2-CG 4.36Å; F827-L847 HydrophobicContact CG-CB 3.77Å; F827-L847 HydrophobicContact CG-CD1 4.29Å; F827-L847 HydrophobicContact CG-CD2 4.1Å; F827-L847 HydrophobicContact CG-CG 4.26Å; F827-L847 HydrophobicContact CZ-CD2 3.43Å; F827-L847 VanDerWaalsContact CZ-CD2 3.43Å; A843-L847 PolarHBondContact O-N 3.04Å; S844-L847 PolarHBondContact O-N 3.48Å; N845-L847 VanDerWaalsContact C-N 3.33Å; N845-L847 PolarHBondContact O-N 3.25Å; L847-G850 PolarHBondContact O-N 3.01Å; L847-L851 HydrophobicContact CD1-CD1 3.97Å; L847-L851 HydrophobicContact CD1-CG 4.27Å; L847-L851 HydrophobicContact CG-CD1 4.11Å; L847-L851 WeakPolarHBondContact O-CB 3.34Å; L847-L851 VanDerWaalsContact O-CG 3.3Å; L847-L851 WeakPolarHBondContact O-CG 3.48Å; L847-L851 PolarHBondContact O-N 3.45Å; L847-Y948 HydrophobicContact CD2-CD1 3.73Å; L847-Y948 HydrophobicContact CD2-CE1 3.76Å; L847-V949 HydrophobicContact CD1-CG2 4.27Å; L847-V949 HydrophobicContact CD2-CG2 3.48Å; L847-V949 VanDerWaalsContact CD2-CG2 3.48Å; L847-V949 HydrophobicContact CG-CG2 4.37Å |
| 848 | I | 80.3 | Confident | 77.7 | Confident | 44 Ų | 44 | 22.1 Ų | 22.1 | 23% | 0.226 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.8 | -51.9 | 176.7 | -70.3 | 166.5 | 0 | 0 | 0 | 109.7 | S844 N845 G850 L851 E852 Y948 T952 W960 | S844-I848 VanDerWaalsContact O-CG1 3.28Å; S844-I848 WeakPolarHBondContact O-CG1 3.41Å; S844-I848 PolarHBondContact O-N 2.63Å; N845-I848 WeakPolarHBondContact O-CB 3.35Å; N845-I848 PolarHBondContact O-N 2.91Å; I848-G850 PolarHBondContact O-N 3.45Å; I848-L851 PolarHBondContact O-N 2.94Å; I848-E852 WeakPolarHBondContact O-CB 3.5Å; I848-E852 PolarHBondContact O-N 3.26Å; I848-Y948 WeakPolarHBondContact CD1-OH 3.47Å; I848-T952 HydrophobicContact CG1-CG2 3.82Å; I848-W960 HydrophobicContact CG2-CZ2 3.92Å |
| 849 | F | 84.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.009 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | -178.8 | 177.5 | -94.6 | 0 | 0 | 0 | 112.6 | L796 C800 N845 L851 E852 L853 | L796-F849 HydrophobicContact CB-CE1 3.93Å; L796-F849 HydrophobicContact CB-CE2 3.85Å; L796-F849 HydrophobicContact CB-CZ 3.5Å; L796-F849 HydrophobicContact CD1-CE1 3.94Å; L796-F849 HydrophobicContact CD1-CZ 4.35Å; L796-F849 HydrophobicContact CG-CE1 4.46Å; L796-F849 HydrophobicContact CG-CZ 4.38Å; C800-F849 HydrophobicContact CB-CE2 4.1Å; C800-F849 WeakPolarHBondContact SG-CE2 3.38Å; C800-F849 WeakPolarHBondContact SG-CZ 3.44Å; N845-F849 WeakPolarHBondContact O-CB 3.26Å; N845-F849 PolarHBondContact O-N 3.07Å; F849-L851 VanDerWaalsContact C-N 3.32Å; F849-L851 PolarHBondContact O-N 2.98Å; F849-E852 PolarHBondContact O-N 3.22Å; F849-L853 HydrophobicContact CE1-CD2 4.16Å; F849-L853 HydrophobicContact CZ-CD2 4.3Å; F849-L853 WeakPolarHBondContact O-CB 3.36Å; F849-L853 PolarHBondContact O-N 2.97Å |
| 850 | G | 82.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y846 L847 I848 I854 | Y846-G850 PolarHBondContact O-N 3.37Å; L847-G850 PolarHBondContact O-N 3.01Å; I848-G850 PolarHBondContact O-N 3.45Å; G850-I854 WeakPolarHBondContact O-CD1 3.15Å; G850-I854 VanDerWaalsContact O-CG1 3.26Å; G850-I854 WeakPolarHBondContact O-CG1 3.48Å; G850-I854 PolarHBondContact O-N 3.3Å |
| 851 | L | 80.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.5 | -46.4 | 174.5 | -69.3 | 172.6 | 0 | 0 | 0 | 111.7 | P296 F297 L847 I848 F849 L853 I854 Y855 V949 L953 W960 | P296-L851 HydrophobicContact CB-CD2 4.15Å; P296-L851 HydrophobicContact CG-CD2 4.18Å; F297-L851 HydrophobicContact CZ-CD2 4.45Å; L847-L851 HydrophobicContact CD1-CD1 3.97Å; L847-L851 HydrophobicContact CD1-CG 4.27Å; L847-L851 HydrophobicContact CG-CD1 4.11Å; L847-L851 WeakPolarHBondContact O-CB 3.34Å; L847-L851 VanDerWaalsContact O-CG 3.3Å; L847-L851 WeakPolarHBondContact O-CG 3.48Å; L847-L851 PolarHBondContact O-N 3.45Å; I848-L851 PolarHBondContact O-N 2.94Å; F849-L851 VanDerWaalsContact C-N 3.32Å; F849-L851 PolarHBondContact O-N 2.98Å; L851-L853 VanDerWaalsContact C-N 3.32Å; L851-L853 PolarHBondContact O-N 3.36Å; L851-I854 PolarHBondContact O-N 3.19Å; L851-Y855 VanDerWaalsContact O-CD2 3.32Å; L851-Y855 WeakPolarHBondContact O-CD2 3.22Å; L851-Y855 PolarHBondContact O-N 2.85Å; L851-V949 HydrophobicContact CD1-CG1 4.18Å; L851-L953 HydrophobicContact CB-CD2 4.48Å; L851-L953 HydrophobicContact CD1-CD2 4.11Å; L851-L953 HydrophobicContact CD1-CG 4.37Å; L851-L953 HydrophobicContact CD2-CD2 4.47Å; L851-W960 HydrophobicContact CB-CH2 4.17Å; L851-W960 HydrophobicContact CB-CZ3 4.18Å |
| 852 | E | 83.3 | Confident | 80.8 | Confident | 20 Ų | 20 | 13.2 Ų | 13.2 | 9% | 0.093 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -53.2 | -49.7 | 176.6 | 176.1 | 177.5 | 164.3 | 0 | 0 | 111.3 | I848 F849 I854 Y855 K856 W960 | I848-E852 WeakPolarHBondContact O-CB 3.5Å; I848-E852 PolarHBondContact O-N 3.26Å; F849-E852 PolarHBondContact O-N 3.22Å; E852-I854 VanDerWaalsContact C-N 3.34Å; E852-I854 PolarHBondContact O-N 3.39Å; E852-Y855 PolarHBondContact O-N 2.89Å; E852-K856 HydrophobicContact CG-CD 3.92Å; E852-K856 HydrophobicContact CG-CG 4.22Å; E852-K856 WeakPolarHBondContact O-CB 3.45Å; E852-K856 WeakPolarHBondContact O-CG 3.26Å; E852-K856 PolarHBondContact O-N 3.37Å; E852-K856 WeakPolarHBondContact OE1-CE 3.42Å; E852-K856 IonicContact OE1-NZ 2.75Å; E852-K856 PolarHBondContact OE1-NZ 3.37Å; E852-W960 HydrophobicContact CB-CD2 3.83Å; E852-W960 HydrophobicContact CB-CE3 4.19Å; E852-W960 HydrophobicContact CB-CG 4.23Å; E852-W960 HydrophobicContact CB-CH2 4.38Å; E852-W960 HydrophobicContact CB-CZ2 4.01Å; E852-W960 HydrophobicContact CB-CZ3 4.46Å; E852-W960 HydrophobicContact CG-CB 4.34Å; E852-W960 HydrophobicContact CG-CD2 3.9Å; E852-W960 HydrophobicContact CG-CG 3.74Å; E852-W960 PolarHBondContact OE2-NE1 3.26Å |
| 853 | L | 83.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | -179.7 | -175.7 | 57.3 | 0 | 0 | 0 | 111.9 | L806 L809 I820 F849 L851 K856 I857 | L806-L853 HydrophobicContact CD1-CD1 3.97Å; L809-L853 HydrophobicContact CD1-CD1 4.06Å; I820-L853 HydrophobicContact CD1-CD2 4.12Å; I820-L853 HydrophobicContact CD1-CG 4.26Å; I820-L853 HydrophobicContact CG1-CD2 3.78Å; I820-L853 HydrophobicContact CG1-CG 4.33Å; F849-L853 HydrophobicContact CE1-CD2 4.16Å; F849-L853 HydrophobicContact CZ-CD2 4.3Å; F849-L853 WeakPolarHBondContact O-CB 3.36Å; F849-L853 PolarHBondContact O-N 2.97Å; L851-L853 VanDerWaalsContact C-N 3.32Å; L851-L853 PolarHBondContact O-N 3.36Å; L853-K856 PolarHBondContact O-N 3.32Å; L853-I857 HydrophobicContact CD1-CD1 3.78Å; L853-I857 HydrophobicContact CD1-CG1 4.06Å; L853-I857 HydrophobicContact CG-CD1 3.82Å; L853-I857 HydrophobicContact CG-CG1 4.48Å; L853-I857 WeakPolarHBondContact O-CB 3.34Å; L853-I857 VanDerWaalsContact O-CG1 3.25Å; L853-I857 WeakPolarHBondContact O-CG1 3.49Å; L853-I857 PolarHBondContact O-N 3.35Å |
| 854 | I | 81.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.3 | -67 | 162.7 | 0 | 0 | 0 | 111 | F294 P296 L299 I820 L824 G850 L851 E852 E858 | F294-I854 HydrophobicContact CZ-CG2 4.36Å; P296-I854 HydrophobicContact CB-CD1 4.17Å; P296-I854 HydrophobicContact CB-CG2 3.88Å; L299-I854 HydrophobicContact CD1-CG2 4.06Å; I820-I854 HydrophobicContact CD1-CG1 4.13Å; I820-I854 HydrophobicContact CG2-CD1 3.72Å; I820-I854 HydrophobicContact CG2-CG1 3.88Å; L824-I854 HydrophobicContact CD1-CD1 4.28Å; G850-I854 WeakPolarHBondContact O-CD1 3.15Å; G850-I854 VanDerWaalsContact O-CG1 3.26Å; G850-I854 WeakPolarHBondContact O-CG1 3.48Å; G850-I854 PolarHBondContact O-N 3.3Å; L851-I854 PolarHBondContact O-N 3.19Å; E852-I854 VanDerWaalsContact C-N 3.34Å; E852-I854 PolarHBondContact O-N 3.39Å; I854-E858 WeakPolarHBondContact O-CB 3.16Å; I854-E858 PolarHBondContact O-N 2.98Å |
| 855 | Y | 81.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 179.6 | -87 | -98 | 0 | 0 | 0 | 112 | F294 L851 E852 A859 L912 N915 L953 A957 W960 I961 | F294-Y855 HydrophobicContact CE1-CD1 4.22Å; F294-Y855 AromaticContact CE1-CE1 3.63Å; F294-Y855 HydrophobicContact CE1-CE1 3.63Å; F294-Y855 HydrophobicContact CE1-CE2 4.02Å; F294-Y855 AromaticContact CE1-CZ 3.53Å; F294-Y855 HydrophobicContact CZ-CD1 4.27Å; F294-Y855 HydrophobicContact CZ-CD2 4.36Å; F294-Y855 HydrophobicContact CZ-CE1 4.13Å; F294-Y855 HydrophobicContact CZ-CE2 4.23Å; F294-Y855 HydrophobicContact CZ-CG 4.4Å; L851-Y855 VanDerWaalsContact O-CD2 3.32Å; L851-Y855 WeakPolarHBondContact O-CD2 3.22Å; L851-Y855 PolarHBondContact O-N 2.85Å; E852-Y855 PolarHBondContact O-N 2.89Å; Y855-A859 VanDerWaalsContact O-CB 3.26Å; Y855-A859 WeakPolarHBondContact O-CB 3.41Å; Y855-A859 PolarHBondContact O-N 3.33Å; Y855-L912 HydrophobicContact CD1-CB 4.41Å; Y855-L912 HydrophobicContact CD1-CD2 3.89Å; Y855-L912 HydrophobicContact CE1-CD2 4.01Å; Y855-N915 PolarHBondContact OH-ND2 3.25Å; Y855-N915 VanDerWaalsContact OH-ND2 3.07Å; Y855-L953 HydrophobicContact CD2-CD2 4.33Å; Y855-L953 HydrophobicContact CE2-CD2 3.41Å; Y855-L953 VanDerWaalsContact CE2-CD2 3.41Å; Y855-A957 HydrophobicContact CD1-CB 4.01Å; Y855-A957 HydrophobicContact CE1-CB 3.8Å; Y855-W960 HydrophobicContact CD2-CE3 4.38Å; Y855-W960 HydrophobicContact CD2-CZ3 4.25Å; Y855-W960 HydrophobicContact CG-CE3 4.29Å; Y855-I961 HydrophobicContact CD1-CD1 4.33Å |
| 856 | K | 85.9 | Confident | 81.3 | Confident | 8 Ų | 8 | 12.5 Ų | 12.5 | 4% | 0.035 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 177.6 | -72.2 | -170.9 | 167 | 174.3 | 0 | 112 | L806 E852 L853 A859 L860 W960 V964 | L806-K856 HydrophobicContact CD1-CB 3.92Å; L806-K856 HydrophobicContact CD1-CD 4.27Å; L806-K856 HydrophobicContact CD2-CB 4.13Å; L806-K856 HydrophobicContact CD2-CD 4.32Å; E852-K856 HydrophobicContact CG-CD 3.92Å; E852-K856 HydrophobicContact CG-CG 4.22Å; E852-K856 WeakPolarHBondContact O-CB 3.45Å; E852-K856 WeakPolarHBondContact O-CG 3.26Å; E852-K856 PolarHBondContact O-N 3.37Å; E852-K856 WeakPolarHBondContact OE1-CE 3.42Å; E852-K856 IonicContact OE1-NZ 2.75Å; E852-K856 PolarHBondContact OE1-NZ 3.37Å; L853-K856 PolarHBondContact O-N 3.32Å; K856-A859 PolarHBondContact O-N 3.35Å; K856-L860 WeakPolarHBondContact O-CG 3.44Å; K856-L860 PolarHBondContact O-N 3Å; K856-W960 HydrophobicContact CG-CB 4.32Å; K856-V964 HydrophobicContact CB-CG2 3.75Å; K856-V964 HydrophobicContact CD-CG2 3.98Å; K856-V964 HydrophobicContact CG-CG2 3.53Å |
| 857 | I | 82.3 | Confident | 80.8 | Confident | 12 Ų | 12 | 12.7 Ų | 12.7 | 6% | 0.062 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 176.3 | -68.8 | 170 | 0 | 0 | 0 | 110.9 | Y303 A810 I820 L853 L860 R861 | Y303-I857 HydrophobicContact CE1-CG2 4.25Å; Y303-I857 WeakPolarHBondContact OH-CG2 3.49Å; A810-I857 HydrophobicContact CB-CG1 4.41Å; I820-I857 HydrophobicContact CD1-CD1 4.38Å; L853-I857 HydrophobicContact CD1-CD1 3.78Å; L853-I857 HydrophobicContact CD1-CG1 4.06Å; L853-I857 HydrophobicContact CG-CD1 3.82Å; L853-I857 HydrophobicContact CG-CG1 4.48Å; L853-I857 WeakPolarHBondContact O-CB 3.34Å; L853-I857 VanDerWaalsContact O-CG1 3.25Å; L853-I857 WeakPolarHBondContact O-CG1 3.49Å; L853-I857 PolarHBondContact O-N 3.35Å; I857-L860 WeakPolarHBondContact O-CB 3.25Å; I857-L860 PolarHBondContact O-N 3.17Å; I857-R861 PolarHBondContact O-N 3.43Å |
| 858 | E | 80.3 | Confident | 80.3 | Confident | 9 Ų | 9 | 12.8 Ų | 12.8 | 4% | 0.042 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.2 | -37 | 178.5 | -174.3 | 68.5 | -179.1 | 0 | 0 | 112.1 | F294 I854 R861 Y862 L912 | F294-E858 HydrophobicContact CD2-CG 3.96Å; F294-E858 HydrophobicContact CE2-CB 3.92Å; F294-E858 HydrophobicContact CE2-CG 3.59Å; F294-E858 HydrophobicContact CZ-CG 4.49Å; I854-E858 WeakPolarHBondContact O-CB 3.16Å; I854-E858 PolarHBondContact O-N 2.98Å; E858-R861 WeakPolarHBondContact O-CB 3.19Å; E858-R861 PolarHBondContact O-N 2.89Å; E858-R861 IonicContact OE1-CZ 3.28Å; E858-R861 IonicContact OE1-NE 2.79Å; E858-R861 PolarHBondContact OE1-NE 2.93Å; E858-R861 IonicContact OE1-NH2 3.75Å; E858-R861 PolarHBondContact OE1-NH2 2.68Å; E858-R861 IonicContact OE2-CZ 3.33Å; E858-R861 IonicContact OE2-NE 2.75Å; E858-R861 PolarHBondContact OE2-NE 3.41Å; E858-R861 IonicContact OE2-NH2 3.04Å; E858-Y862 HydrophobicContact CG-CD2 4.18Å; E858-Y862 HydrophobicContact CG-CE2 3.78Å; E858-Y862 VanDerWaalsContact O-CD2 3.28Å; E858-Y862 WeakPolarHBondContact O-CD2 3.43Å; E858-Y862 PolarHBondContact O-N 2.94Å; E858-Y862 VanDerWaalsContact O-N 3.14Å; E858-Y862 WeakPolarHBondContact OE1-CE2 3.34Å; E858-L912 HydrophobicContact CB-CD1 4.3Å; E858-L912 HydrophobicContact CG-CD1 4Å; E858-L912 HydrophobicContact CG-CD2 4.13Å |
| 859 | A | 83.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y855 K856 R861 Y862 L863 L909 L912 I961 V964 | Y855-A859 VanDerWaalsContact O-CB 3.26Å; Y855-A859 WeakPolarHBondContact O-CB 3.41Å; Y855-A859 PolarHBondContact O-N 3.33Å; K856-A859 PolarHBondContact O-N 3.35Å; A859-R861 VanDerWaalsContact C-N 3.28Å; A859-R861 PolarHBondContact O-N 3.03Å; A859-Y862 PolarHBondContact O-N 3.08Å; A859-L863 VanDerWaalsContact O-CB 3.25Å; A859-L863 WeakPolarHBondContact O-CB 3.36Å; A859-L863 PolarHBondContact O-N 2.96Å; A859-L909 HydrophobicContact CB-CD2 4.49Å; A859-L912 HydrophobicContact CB-CD1 4.12Å; A859-I961 HydrophobicContact CB-CG2 4.39Å; A859-V964 HydrophobicContact CB-CB 4.48Å; A859-V964 HydrophobicContact CB-CG1 4.2Å |
| 860 | L | 81.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.6 | -39.3 | 174.3 | -79.6 | 174.8 | 0 | 0 | 0 | 112.1 | I314 L806 L807 A810 K856 I857 L863 D864 V964 Y970 | I314-L860 HydrophobicContact CD1-CD2 4.34Å; L806-L860 HydrophobicContact CD2-CD1 3.61Å; L806-L860 HydrophobicContact CD2-CG 4.21Å; L806-L860 HydrophobicContact CG-CD1 3.66Å; L807-L860 HydrophobicContact CD2-CD1 4.05Å; L807-L860 HydrophobicContact CD2-CD2 4.3Å; A810-L860 HydrophobicContact CB-CD1 4.25Å; K856-L860 WeakPolarHBondContact O-CG 3.44Å; K856-L860 PolarHBondContact O-N 3Å; I857-L860 WeakPolarHBondContact O-CB 3.25Å; I857-L860 PolarHBondContact O-N 3.17Å; L860-L863 PolarHBondContact O-N 3.43Å; L860-D864 PolarHBondContact O-N 3.17Å; L860-V964 HydrophobicContact CD2-CG1 3.78Å; L860-V964 HydrophobicContact CG-CG1 3.89Å; L860-Y970 HydrophobicContact CD2-CD2 4.23Å; L860-Y970 HydrophobicContact CD2-CE2 4Å |
| 861 | R | 81.1 | Confident | 78.3 | Confident | 55 Ų | 55 | 17.6 Ų | 17.6 | 21% | 0.208 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 177.5 | -167.9 | -172.1 | 66.6 | 66.6 | 0.8 | 112.4 | I857 E858 A859 L863 L865 | I857-R861 PolarHBondContact O-N 3.43Å; E858-R861 WeakPolarHBondContact O-CB 3.19Å; E858-R861 PolarHBondContact O-N 2.89Å; E858-R861 IonicContact OE1-CZ 3.28Å; E858-R861 IonicContact OE1-NE 2.79Å; E858-R861 PolarHBondContact OE1-NE 2.93Å; E858-R861 IonicContact OE1-NH2 3.75Å; E858-R861 PolarHBondContact OE1-NH2 2.68Å; E858-R861 IonicContact OE2-CZ 3.33Å; E858-R861 IonicContact OE2-NE 2.75Å; E858-R861 PolarHBondContact OE2-NE 3.41Å; E858-R861 IonicContact OE2-NH2 3.04Å; A859-R861 VanDerWaalsContact C-N 3.28Å; A859-R861 PolarHBondContact O-N 3.03Å; R861-L863 VanDerWaalsContact C-N 3.26Å; R861-L863 PolarHBondContact O-N 3.06Å; R861-L865 PolarHBondContact O-N 2.8Å |
| 862 | Y | 80.1 | Confident | 77.5 | Confident | 26 Ų | 26 | 21.3 Ų | 21.3 | 10% | 0.102 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.1 | -32.4 | 175.4 | -72.7 | -58.3 | 0 | 0 | 0 | 112.3 | E858 A859 L865 L866 A905 G908 L912 | E858-Y862 HydrophobicContact CG-CD2 4.18Å; E858-Y862 HydrophobicContact CG-CE2 3.78Å; E858-Y862 VanDerWaalsContact O-CD2 3.28Å; E858-Y862 WeakPolarHBondContact O-CD2 3.43Å; E858-Y862 PolarHBondContact O-N 2.94Å; E858-Y862 VanDerWaalsContact O-N 3.14Å; E858-Y862 WeakPolarHBondContact OE1-CE2 3.34Å; A859-Y862 PolarHBondContact O-N 3.08Å; Y862-L865 HydrophobicContact CD1-CD1 4.44Å; Y862-L866 PolarHBondContact O-N 3.23Å; Y862-A905 HydrophobicContact CD1-CB 4.43Å; Y862-G908 VanDerWaalsContact CZ-CA 3.4Å; Y862-L912 HydrophobicContact CD2-CD1 3.86Å; Y862-L912 HydrophobicContact CE2-CD1 4.03Å; Y862-L912 HydrophobicContact CE2-CG 4.39Å |
| 863 | L | 80.2 | Confident | 76.6 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.7 | -40.9 | 179.2 | -161.9 | 148.2 | 0 | 0 | 0 | 111.4 | A859 L860 R861 L865 L866 I867 V965 Y970 | A859-L863 VanDerWaalsContact O-CB 3.25Å; A859-L863 WeakPolarHBondContact O-CB 3.36Å; A859-L863 PolarHBondContact O-N 2.96Å; L860-L863 PolarHBondContact O-N 3.43Å; R861-L863 VanDerWaalsContact C-N 3.26Å; R861-L863 PolarHBondContact O-N 3.06Å; L863-L865 VanDerWaalsContact C-N 3.28Å; L863-L865 PolarHBondContact O-N 3.33Å; L863-L866 WeakPolarHBondContact O-CA 3.37Å; L863-L866 WeakPolarHBondContact O-CB 3.42Å; L863-L866 PolarHBondContact O-N 3.42Å; L863-I867 HydrophobicContact CD2-CD1 3.38Å; L863-I867 HydrophobicContact CD2-CG1 3.74Å; L863-I867 WeakPolarHBondContact O-CG1 3.28Å; L863-I867 PolarHBondContact O-N 2.92Å; L863-V965 HydrophobicContact CD1-CG2 4.27Å; L863-Y970 VanDerWaalsContact CD2-CB 3.46Å; L863-Y970 HydrophobicContact CD2-CG 4.2Å |
| 864 | D | 79.2 | Confident | 75.8 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.043 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.1 | -40.3 | 173 | -173.2 | 60 | 0 | 0 | 0 | 111.6 | F311 H312 R313 I314 L860 L866 I867 D868 | F311-D864 WeakPolarHBondContact CA-OD2 3.33Å; F311-D864 HydrophobicContact CD1-CB 3.89Å; F311-D864 HydrophobicContact CE1-CB 4.44Å; H312-D864 PolarHBondContact N-OD2 3.29Å; R313-D864 PolarHBondContact N-OD1 3.21Å; R313-D864 VanDerWaalsContact N-OD1 3.12Å; I314-D864 HydrophobicContact CD1-CB 4Å; I314-D864 HydrophobicContact CG1-CB 4.37Å; I314-D864 WeakPolarHBondContact CG1-OD1 3.38Å; I314-D864 PolarHBondContact N-OD1 2.83Å; L860-D864 PolarHBondContact O-N 3.17Å; D864-L866 VanDerWaalsContact C-N 3.33Å; D864-L866 PolarHBondContact O-N 3.35Å; D864-I867 PolarHBondContact O-N 3.5Å; D864-D868 VanDerWaalsContact O-CB 3.28Å; D864-D868 WeakPolarHBondContact O-CB 3.12Å; D864-D868 PolarHBondContact O-N 2.9Å |
| 865 | L | 75.5 | Confident | 74.9 | Confident | 68 Ų | 68 | 29.6 Ų | 29.6 | 36% | 0.356 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 173.4 | -68.9 | 171.1 | 0 | 0 | 0 | 113 | R861 Y862 L863 W869 A905 | R861-L865 PolarHBondContact O-N 2.8Å; Y862-L865 HydrophobicContact CD1-CD1 4.44Å; L863-L865 VanDerWaalsContact C-N 3.28Å; L863-L865 PolarHBondContact O-N 3.33Å; L865-W869 WeakPolarHBondContact O-CB 3.33Å; L865-W869 PolarHBondContact O-N 2.79Å; L865-A905 HydrophobicContact CB-CB 4.16Å |
| 866 | L | 75.5 | Confident | 74.2 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73 | -39.9 | 176.4 | -66.6 | 179.9 | 0 | 0 | 0 | 112.1 | Y862 L863 D864 D868 W869 T870 I902 A905 L906 L909 L974 I977 | Y862-L866 PolarHBondContact O-N 3.23Å; L863-L866 WeakPolarHBondContact O-CA 3.37Å; L863-L866 WeakPolarHBondContact O-CB 3.42Å; L863-L866 PolarHBondContact O-N 3.42Å; D864-L866 VanDerWaalsContact C-N 3.33Å; D864-L866 PolarHBondContact O-N 3.35Å; L866-D868 VanDerWaalsContact C-N 3.28Å; L866-D868 PolarHBondContact O-N 2.75Å; L866-W869 PolarHBondContact O-N 3.27Å; L866-T870 WeakPolarHBondContact O-CB 3.35Å; L866-T870 VanDerWaalsContact O-CG2 3.26Å; L866-T870 WeakPolarHBondContact O-CG2 3.4Å; L866-T870 PolarHBondContact O-N 3.4Å; L866-T870 PolarHBondContact O-OG1 2.79Å; L866-I902 HydrophobicContact CD2-CG2 4.28Å; L866-A905 HydrophobicContact CD2-CB 3.63Å; L866-A905 HydrophobicContact CG-CB 3.85Å; L866-L906 HydrophobicContact CD1-CD2 4.04Å; L866-L906 HydrophobicContact CD2-CD2 4.42Å; L866-L906 HydrophobicContact CD2-CG 4.22Å; L866-L909 HydrophobicContact CD1-CD1 3.47Å; L866-L909 VanDerWaalsContact CD1-CD1 3.47Å; L866-L909 HydrophobicContact CG-CD1 4.47Å; L866-L974 HydrophobicContact CD1-CD1 3.77Å; L866-I977 HydrophobicContact CB-CD1 4.18Å; L866-I977 HydrophobicContact CD1-CD1 4.46Å; L866-I977 HydrophobicContact CD2-CD1 3.83Å; L866-I977 HydrophobicContact CG-CD1 4.38Å |
| 867 | I | 73.1 | Confident | 73.4 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 173.3 | -62.5 | -179.1 | 0 | 0 | 0 | 109.4 | R313 I314 L863 D864 W869 T870 R871 Y970 P973 | R313-I867 HydrophobicContact CB-CG2 3.78Å; I314-I867 HydrophobicContact CD1-CD1 4.36Å; I314-I867 HydrophobicContact CG1-CD1 4.09Å; L863-I867 HydrophobicContact CD2-CD1 3.38Å; L863-I867 HydrophobicContact CD2-CG1 3.74Å; L863-I867 WeakPolarHBondContact O-CG1 3.28Å; L863-I867 PolarHBondContact O-N 2.92Å; D864-I867 PolarHBondContact O-N 3.5Å; I867-W869 VanDerWaalsContact C-N 3.31Å; I867-W869 PolarHBondContact O-N 3.23Å; I867-T870 PolarHBondContact O-OG1 3.34Å; I867-T870 VanDerWaalsContact O-OG1 3.05Å; I867-R871 WeakPolarHBondContact O-CB 3.41Å; I867-R871 PolarHBondContact O-N 3.01Å; I867-Y970 HydrophobicContact CD1-CD1 4.43Å; I867-P973 HydrophobicContact CB-CB 4.38Å; I867-P973 HydrophobicContact CB-CG 4.31Å; I867-P973 HydrophobicContact CG1-CB 3.87Å; I867-P973 HydrophobicContact CG1-CG 3.85Å; I867-P973 HydrophobicContact CG2-CG 4.12Å |
| 868 | D | 71 | Confident | 72.7 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 178.7 | -169.7 | 24.7 | 0 | 0 | 0 | 112.4 | H312 R313 D864 L866 R872 | H312-D868 HydrophobicContact CB-CB 4.44Å; H312-D868 IonicContact CD2-OD2 2.68Å; R313-D868 HydrophobicContact CG-CB 4.04Å; R313-D868 IonicContact CZ-OD1 3.03Å; R313-D868 IonicContact NE-OD1 2.99Å; R313-D868 PolarHBondContact NE-OD1 3.37Å; R313-D868 PolarHBondContact NH2-O 2.94Å; R313-D868 IonicContact NH2-OD1 2.8Å; R313-D868 PolarHBondContact NH2-OD1 2.91Å; D864-D868 VanDerWaalsContact O-CB 3.28Å; D864-D868 WeakPolarHBondContact O-CB 3.12Å; D864-D868 PolarHBondContact O-N 2.9Å; L866-D868 VanDerWaalsContact C-N 3.28Å; L866-D868 PolarHBondContact O-N 2.75Å; D868-R872 VanDerWaalsContact CG-CZ 3.41Å; D868-R872 WeakPolarHBondContact O-CB 3.43Å; D868-R872 WeakPolarHBondContact O-CG 3.4Å; D868-R872 PolarHBondContact O-N 3.49Å; D868-R872 IonicContact OD1-CZ 3.53Å; D868-R872 IonicContact OD1-NH1 3.62Å; D868-R872 IonicContact OD1-NH2 2.7Å; D868-R872 PolarHBondContact OD1-NH2 2.67Å; D868-R872 VanDerWaalsContact OD1-NH2 3.08Å; D868-R872 IonicContact OD2-CZ 3.85Å; D868-R872 IonicContact OD2-NH1 2.73Å; D868-R872 PolarHBondContact OD2-NH1 3.22Å; D868-R872 IonicContact OD2-NH2 3.65Å; D868-R872 PolarHBondContact OD2-NH2 2.81Å |
| 869 | W | 69.6 | Low | 72.2 | Confident | 9 Ų | 9 | 37 Ų | 37 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73 | -47.2 | 177.7 | -175.4 | 77.8 | 0 | 0 | 0 | 114.2 | L865 L866 I867 R871 R872 K873 V878 F881 I902 I977 | L865-W869 WeakPolarHBondContact O-CB 3.33Å; L865-W869 PolarHBondContact O-N 2.79Å; L866-W869 PolarHBondContact O-N 3.27Å; I867-W869 VanDerWaalsContact C-N 3.31Å; I867-W869 PolarHBondContact O-N 3.23Å; W869-R871 PolarHBondContact O-N 2.78Å; W869-R872 WeakPolarHBondContact O-CA 2.93Å; W869-R872 VanDerWaalsContact O-CB 3.26Å; W869-R872 WeakPolarHBondContact O-CB 3.44Å; W869-R872 PolarHBondContact O-N 3.09Å; W869-K873 HydrophobicContact CZ2-CG 4.15Å; W869-K873 PolarHBondContact O-N 3.42Å; W869-V878 HydrophobicContact CE3-CG2 4.36Å; W869-V878 HydrophobicContact CH2-CB 4.2Å; W869-V878 HydrophobicContact CH2-CG1 3.94Å; W869-V878 HydrophobicContact CH2-CG2 3.95Å; W869-V878 HydrophobicContact CZ3-CB 4.28Å; W869-V878 HydrophobicContact CZ3-CG1 3.82Å; W869-V878 HydrophobicContact CZ3-CG2 3.75Å; W869-F881 HydrophobicContact CH2-CB 4.37Å; W869-F881 AromaticContact CH2-CD1 3.56Å; W869-F881 HydrophobicContact CH2-CD1 3.56Å; W869-F881 HydrophobicContact CH2-CE1 4.15Å; W869-F881 HydrophobicContact CH2-CG 4.21Å; W869-F881 HydrophobicContact CZ2-CB 4.07Å; W869-F881 AromaticContact CZ2-CD1 3.3Å; W869-F881 HydrophobicContact CZ2-CD1 3.3Å; W869-F881 HydrophobicContact CZ2-CD2 4.46Å; W869-F881 AromaticContact CZ2-CE1 3.74Å; W869-F881 HydrophobicContact CZ2-CE1 3.74Å; W869-F881 AromaticContact CZ2-CG 3.69Å; W869-F881 HydrophobicContact CZ2-CG 3.69Å; W869-F881 HydrophobicContact CZ2-CZ 4.5Å; W869-I902 HydrophobicContact CB-CG1 4.44Å; W869-I902 HydrophobicContact CD2-CD1 3.5Å; W869-I902 HydrophobicContact CD2-CG1 3.5Å; W869-I902 VanDerWaalsContact CD2-CG1 3.5Å; W869-I902 HydrophobicContact CE3-CD1 3.98Å; W869-I902 HydrophobicContact CE3-CG1 3.95Å; W869-I902 HydrophobicContact CG-CD1 4.04Å; W869-I902 HydrophobicContact CG-CG1 3.65Å; W869-I902 HydrophobicContact CH2-CD1 3.76Å; W869-I902 HydrophobicContact CZ2-CD1 3.27Å; W869-I902 HydrophobicContact CZ2-CG1 4.24Å; W869-I902 HydrophobicContact CZ3-CD1 4.08Å; W869-I902 HydrophobicContact CZ3-CG1 4.46Å; W869-I977 HydrophobicContact CE3-CD1 4.25Å; W869-I977 HydrophobicContact CZ3-CD1 4.37Å; W869-I977 HydrophobicContact CZ3-CG1 4.23Å |
| 870 | T | 69.1 | Low | 71.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | -177.2 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | L866 I867 R872 K873 G874 V878 P973 I977 | L866-T870 WeakPolarHBondContact O-CB 3.35Å; L866-T870 VanDerWaalsContact O-CG2 3.26Å; L866-T870 WeakPolarHBondContact O-CG2 3.4Å; L866-T870 PolarHBondContact O-N 3.4Å; L866-T870 PolarHBondContact O-OG1 2.79Å; I867-T870 PolarHBondContact O-OG1 3.34Å; I867-T870 VanDerWaalsContact O-OG1 3.05Å; T870-R872 VanDerWaalsContact C-N 3.27Å; T870-R872 PolarHBondContact O-N 2.94Å; T870-K873 PolarHBondContact O-N 2.72Å; T870-G874 WeakPolarHBondContact O-CA 3.35Å; T870-G874 PolarHBondContact O-N 3.05Å; T870-V878 HydrophobicContact CG2-CG2 4.42Å; T870-P973 HydrophobicContact CG2-CB 4.3Å; T870-P973 WeakPolarHBondContact CG2-O 3.43Å; T870-P973 WeakPolarHBondContact OG1-CB 3.28Å; T870-I977 HydrophobicContact CG2-CD1 3.52Å; T870-I977 HydrophobicContact CG2-CG1 3.35Å |
| 871 | R | 66.3 | Low | 70.9 | Confident | 137 Ų | 137 | 39.9 Ų | 39.9 | 52% | 0.517 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -73.1 | -18.5 | 176.5 | -67.8 | 179.7 | 179.2 | -169.6 | 5 | 112.3 | I867 W869 | I867-R871 WeakPolarHBondContact O-CB 3.41Å; I867-R871 PolarHBondContact O-N 3.01Å; W869-R871 PolarHBondContact O-N 2.78Å |
| 872 | R | 64.2 | Low | 70.1 | Confident | 78 Ų | 78 | 37.5 Ų | 37.5 | 29% | 0.294 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 171.4 | -99.8 | -162.8 | -79.1 | -107.7 | -170.5 | 113 | L362 D868 W869 T870 | L362-R872 HydrophobicContact CD1-CB 3.9Å; L362-R872 HydrophobicContact CD1-CG 3Å; L362-R872 HydrophobicContact CD2-CB 4.43Å; L362-R872 HydrophobicContact CD2-CG 3.75Å; L362-R872 HydrophobicContact CG-CB 4.29Å; L362-R872 HydrophobicContact CG-CG 3.2Å; D868-R872 VanDerWaalsContact CG-CZ 3.41Å; D868-R872 WeakPolarHBondContact O-CB 3.43Å; D868-R872 WeakPolarHBondContact O-CG 3.4Å; D868-R872 PolarHBondContact O-N 3.49Å; D868-R872 IonicContact OD1-CZ 3.53Å; D868-R872 IonicContact OD1-NH1 3.62Å; D868-R872 IonicContact OD1-NH2 2.7Å; D868-R872 PolarHBondContact OD1-NH2 2.67Å; D868-R872 VanDerWaalsContact OD1-NH2 3.08Å; D868-R872 IonicContact OD2-CZ 3.85Å; D868-R872 IonicContact OD2-NH1 2.73Å; D868-R872 PolarHBondContact OD2-NH1 3.22Å; D868-R872 IonicContact OD2-NH2 3.65Å; D868-R872 PolarHBondContact OD2-NH2 2.81Å; W869-R872 WeakPolarHBondContact O-CA 2.93Å; W869-R872 VanDerWaalsContact O-CB 3.26Å; W869-R872 WeakPolarHBondContact O-CB 3.44Å; W869-R872 PolarHBondContact O-N 3.09Å; T870-R872 VanDerWaalsContact C-N 3.27Å; T870-R872 PolarHBondContact O-N 2.94Å |
| 873 | K | 64.8 | Low | 69.4 | Low | 88 Ų | 88 | 39.5 Ų | 39.5 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -102.2 | -24.3 | -174.3 | -64.1 | -63.3 | -175 | 179.5 | 0 | 112 | W869 T870 G877 V878 | W869-K873 HydrophobicContact CZ2-CG 4.15Å; W869-K873 PolarHBondContact O-N 3.42Å; T870-K873 PolarHBondContact O-N 2.72Å; K873-G877 VanDerWaalsContact O-CA 3.23Å; K873-G877 WeakPolarHBondContact O-CA 3.22Å; K873-G877 PolarHBondContact O-N 3.46Å; K873-V878 HydrophobicContact CB-CG2 4.06Å |
| 874 | G | 66.4 | Low | 68.6 | Low | 29 Ų | 29 | 43.8 Ų | 43.8 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | 65.7 | 172.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T870 T876 G877 V878 | T870-G874 WeakPolarHBondContact O-CA 3.35Å; T870-G874 PolarHBondContact O-N 3.05Å; G874-T876 PolarHBondContact O-N 3.02Å; G874-G877 PolarHBondContact O-N 3.31Å; G874-G877 VanDerWaalsContact O-N 3.17Å; G874-V878 WeakPolarHBondContact O-CG2 3.18Å; G874-V878 PolarHBondContact O-N 3.19Å |
| 875 | M | 63.3 | Low | 67.6 | Low | 79 Ų | 79 | 45.1 Ų | 45.1 | 39% | 0.389 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -50.4 | -55.9 | -179.1 | -66.2 | -69.2 | -48.6 | 0 | 0 | 111.3 | G877 V878 Y879 M976 | M875-G877 VanDerWaalsContact C-N 3.3Å; M875-G877 PolarHBondContact O-N 3.03Å; M875-V878 PolarHBondContact O-N 3.34Å; M875-Y879 HydrophobicContact CB-CE2 4.49Å; M875-Y879 HydrophobicContact CE-CE2 3.64Å; M875-Y879 WeakPolarHBondContact O-CD2 3.33Å; M875-Y879 PolarHBondContact O-N 3.23Å; M875-M976 HydrophobicContact CB-SD 4.49Å; M875-M976 HydrophobicContact CE-CB 4.36Å; M875-M976 HydrophobicContact CE-CG 3.8Å; M875-M976 HydrophobicContact CG-CE 4.21Å; M875-M976 HydrophobicContact CG-SD 4.08Å; M875-M976 HydrophobicContact SD-CB 3.88Å; M875-M976 HydrophobicContact SD-CE 3.38Å; M875-M976 WeakPolarHBondContact SD-CE 3.35Å; M875-M976 HydrophobicContact SD-CG 3.29Å; M875-M976 WeakPolarHBondContact SD-CG 3.27Å; M875-M976 HydrophobicContact SD-SD 3.37Å |
| 876 | T | 65.9 | Low | 66.5 | Low | 120 Ų | 120 | 46.5 Ų | 46.5 | 74% | 0.736 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.2 | -35.7 | -176.8 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | G874 S880 | G874-T876 PolarHBondContact O-N 3.02Å; T876-S880 WeakPolarHBondContact O-CB 3.34Å; T876-S880 PolarHBondContact O-N 3.38Å; T876-S880 PolarHBondContact O-OG 2.88Å |
| 877 | G | 68 | Low | 65.4 | Low | 11 Ų | 11 | 49 Ų | 49 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.9 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K873 G874 M875 S880 F881 | K873-G877 VanDerWaalsContact O-CA 3.23Å; K873-G877 WeakPolarHBondContact O-CA 3.22Å; K873-G877 PolarHBondContact O-N 3.46Å; G874-G877 PolarHBondContact O-N 3.31Å; G874-G877 VanDerWaalsContact O-N 3.17Å; M875-G877 VanDerWaalsContact C-N 3.3Å; M875-G877 PolarHBondContact O-N 3.03Å; G877-S880 WeakPolarHBondContact CA-OG 3.4Å; G877-S880 PolarHBondContact O-N 2.95Å; G877-S880 PolarHBondContact O-OG 3.43Å; G877-F881 WeakPolarHBondContact O-CB 3.22Å; G877-F881 PolarHBondContact O-N 2.96Å |
| 878 | V | 68.2 | Low | 63.8 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | W869 T870 K873 G874 M875 F881 I882 M976 A980 | W869-V878 HydrophobicContact CE3-CG2 4.36Å; W869-V878 HydrophobicContact CH2-CB 4.2Å; W869-V878 HydrophobicContact CH2-CG1 3.94Å; W869-V878 HydrophobicContact CH2-CG2 3.95Å; W869-V878 HydrophobicContact CZ3-CB 4.28Å; W869-V878 HydrophobicContact CZ3-CG1 3.82Å; W869-V878 HydrophobicContact CZ3-CG2 3.75Å; T870-V878 HydrophobicContact CG2-CG2 4.42Å; K873-V878 HydrophobicContact CB-CG2 4.06Å; G874-V878 WeakPolarHBondContact O-CG2 3.18Å; G874-V878 PolarHBondContact O-N 3.19Å; M875-V878 PolarHBondContact O-N 3.34Å; V878-F881 PolarHBondContact O-N 3.48Å; V878-I882 HydrophobicContact CG1-CD1 3.82Å; V878-I882 WeakPolarHBondContact O-CG1 3.4Å; V878-I882 PolarHBondContact O-N 2.87Å; V878-M976 HydrophobicContact CG1-CG 4.49Å; V878-M976 HydrophobicContact CG2-CG 4.47Å; V878-M976 HydrophobicContact CG2-SD 4.06Å; V878-A980 HydrophobicContact CG1-CB 3.94Å |
| 879 | Y | 69.3 | Low | 62.4 | Low | 54 Ų | 54 | 62.6 Ų | 62.6 | 21% | 0.212 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 174.2 | -77 | -74.5 | 0 | 0 | 0 | 112.1 | M875 F881 I882 T883 A980 E983 | M875-Y879 HydrophobicContact CB-CE2 4.49Å; M875-Y879 HydrophobicContact CE-CE2 3.64Å; M875-Y879 WeakPolarHBondContact O-CD2 3.33Å; M875-Y879 PolarHBondContact O-N 3.23Å; Y879-F881 VanDerWaalsContact C-N 3.27Å; Y879-F881 PolarHBondContact O-N 3.08Å; Y879-I882 PolarHBondContact O-N 3.2Å; Y879-T883 WeakPolarHBondContact O-CG2 3.33Å; Y879-T883 PolarHBondContact O-N 3.16Å; Y879-T883 PolarHBondContact O-OG1 3.26Å; Y879-A980 HydrophobicContact CD1-CB 3.64Å; Y879-A980 VanDerWaalsContact CE1-CA 3.42Å; Y879-A980 HydrophobicContact CE1-CB 3.64Å; Y879-A980 HydrophobicContact CG-CB 4.18Å; Y879-E983 HydrophobicContact CE1-CB 4.4Å; Y879-E983 WeakPolarHBondContact CE1-OE2 3.28Å; Y879-E983 PolarHBondContact OH-OE2 3.07Å |
| 880 | S | 70.1 | Confident | 61.2 | Low | 54 Ų | 54 | 69.8 Ų | 69.8 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.5 | -37.8 | -180 | 74 | 0 | 0 | 0 | 0 | 112.2 | T876 G877 T883 Q884 | T876-S880 WeakPolarHBondContact O-CB 3.34Å; T876-S880 PolarHBondContact O-N 3.38Å; T876-S880 PolarHBondContact O-OG 2.88Å; G877-S880 WeakPolarHBondContact CA-OG 3.4Å; G877-S880 PolarHBondContact O-N 2.95Å; G877-S880 PolarHBondContact O-OG 3.43Å; S880-T883 VanDerWaalsContact C-OG1 3.3Å; S880-T883 WeakPolarHBondContact CA-OG1 3.24Å; S880-T883 PolarHBondContact O-N 3.44Å; S880-T883 PolarHBondContact O-OG1 3.13Å; S880-Q884 WeakPolarHBondContact O-CB 3.46Å; S880-Q884 WeakPolarHBondContact O-CG 3.44Å; S880-Q884 PolarHBondContact O-N 3.46Å |
| 881 | F | 67.3 | Low | 60 | Low | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 177.6 | 177.9 | -98.9 | 0 | 0 | 0 | 111.6 | W869 G877 V878 Y879 T883 Q884 L885 L895 E899 I902 | W869-F881 HydrophobicContact CH2-CB 4.37Å; W869-F881 AromaticContact CH2-CD1 3.56Å; W869-F881 HydrophobicContact CH2-CD1 3.56Å; W869-F881 HydrophobicContact CH2-CE1 4.15Å; W869-F881 HydrophobicContact CH2-CG 4.21Å; W869-F881 HydrophobicContact CZ2-CB 4.07Å; W869-F881 AromaticContact CZ2-CD1 3.3Å; W869-F881 HydrophobicContact CZ2-CD1 3.3Å; W869-F881 HydrophobicContact CZ2-CD2 4.46Å; W869-F881 AromaticContact CZ2-CE1 3.74Å; W869-F881 HydrophobicContact CZ2-CE1 3.74Å; W869-F881 AromaticContact CZ2-CG 3.69Å; W869-F881 HydrophobicContact CZ2-CG 3.69Å; W869-F881 HydrophobicContact CZ2-CZ 4.5Å; G877-F881 WeakPolarHBondContact O-CB 3.22Å; G877-F881 PolarHBondContact O-N 2.96Å; V878-F881 PolarHBondContact O-N 3.48Å; Y879-F881 VanDerWaalsContact C-N 3.27Å; Y879-F881 PolarHBondContact O-N 3.08Å; F881-T883 VanDerWaalsContact C-N 3.34Å; F881-T883 PolarHBondContact O-N 3.42Å; F881-Q884 CarbonylContact O-C 3.56Å; F881-Q884 PolarHBondContact O-N 2.86Å; F881-Q884 VanDerWaalsContact O-N 3.11Å; F881-L885 HydrophobicContact CD1-CD1 3.79Å; F881-L885 HydrophobicContact CD1-CG 4.13Å; F881-L885 HydrophobicContact CE1-CD1 3.24Å; F881-L885 HydrophobicContact CE1-CD2 4.23Å; F881-L885 HydrophobicContact CE1-CG 3.71Å; F881-L885 HydrophobicContact CE2-CD2 4.41Å; F881-L885 HydrophobicContact CE2-CG 4.36Å; F881-L885 HydrophobicContact CZ-CD1 3.78Å; F881-L885 HydrophobicContact CZ-CD2 3.89Å; F881-L885 HydrophobicContact CZ-CG 3.83Å; F881-L885 WeakPolarHBondContact O-CG 3.3Å; F881-L885 PolarHBondContact O-N 2.88Å; F881-L895 HydrophobicContact CD2-CD2 3.4Å; F881-L895 HydrophobicContact CE2-CD2 3.45Å; F881-L895 VanDerWaalsContact CE2-CD2 3.45Å; F881-E899 HydrophobicContact CZ-CB 4.15Å; F881-I902 HydrophobicContact CD1-CD1 4.04Å; F881-I902 HydrophobicContact CE1-CD1 3.25Å; F881-I902 HydrophobicContact CZ-CD1 3.71Å |
| 882 | I | 66.1 | Low | 59.1 | Low | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 176.8 | -68 | 166.6 | 0 | 0 | 0 | 110.7 | V878 Y879 Q884 L885 Q886 A980 F981 | V878-I882 HydrophobicContact CG1-CD1 3.82Å; V878-I882 WeakPolarHBondContact O-CG1 3.4Å; V878-I882 PolarHBondContact O-N 2.87Å; Y879-I882 PolarHBondContact O-N 3.2Å; I882-Q884 VanDerWaalsContact C-N 3.33Å; I882-Q884 PolarHBondContact O-N 3.25Å; I882-L885 PolarHBondContact O-N 3.14Å; I882-Q886 PolarHBondContact O-N 3.07Å; I882-A980 HydrophobicContact CD1-CB 3.42Å; I882-A980 VanDerWaalsContact CD1-CB 3.42Å; I882-F981 HydrophobicContact CD1-CD2 3.98Å; I882-F981 HydrophobicContact CD1-CE1 4.49Å; I882-F981 HydrophobicContact CD1-CE2 3.8Å; I882-F981 HydrophobicContact CD1-CG 4.4Å; I882-F981 HydrophobicContact CD1-CZ 4.05Å; I882-F981 HydrophobicContact CG1-CE1 4.35Å; I882-F981 HydrophobicContact CG1-CE2 4.28Å; I882-F981 HydrophobicContact CG1-CZ 4.02Å; I882-F981 HydrophobicContact CG2-CD1 3.99Å; I882-F981 HydrophobicContact CG2-CE1 3.9Å; I882-F981 HydrophobicContact CG2-CZ 4.42Å |
| 883 | T | 64 | Low | 58.3 | Low | 68 Ų | 68 | 69.2 Ų | 69.2 | 42% | 0.417 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 170.5 | 58.4 | 0 | 0 | 0 | 0 | 112 | Y879 S880 F881 Q886 S887 | Y879-T883 WeakPolarHBondContact O-CG2 3.33Å; Y879-T883 PolarHBondContact O-N 3.16Å; Y879-T883 PolarHBondContact O-OG1 3.26Å; S880-T883 VanDerWaalsContact C-OG1 3.3Å; S880-T883 WeakPolarHBondContact CA-OG1 3.24Å; S880-T883 PolarHBondContact O-N 3.44Å; S880-T883 PolarHBondContact O-OG1 3.13Å; F881-T883 VanDerWaalsContact C-N 3.34Å; F881-T883 PolarHBondContact O-N 3.42Å; T883-Q886 PolarHBondContact O-N 3.33Å; T883-S887 PolarHBondContact O-N 3.23Å |
| 884 | Q | 63.6 | Low | 57.6 | Low | 92 Ų | 92 | 71.2 Ų | 71.2 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.4 | -35.1 | 179.9 | -81.5 | -179.9 | -4.8 | 0 | 0 | 112.7 | S880 F881 I882 Q886 S887 | S880-Q884 WeakPolarHBondContact O-CB 3.46Å; S880-Q884 WeakPolarHBondContact O-CG 3.44Å; S880-Q884 PolarHBondContact O-N 3.46Å; F881-Q884 CarbonylContact O-C 3.56Å; F881-Q884 PolarHBondContact O-N 2.86Å; F881-Q884 VanDerWaalsContact O-N 3.11Å; I882-Q884 VanDerWaalsContact C-N 3.33Å; I882-Q884 PolarHBondContact O-N 3.25Å; Q884-Q886 VanDerWaalsContact C-N 3.26Å; Q884-Q886 PolarHBondContact O-N 3.38Å; Q884-S887 WeakPolarHBondContact CA-OG 3.49Å; Q884-S887 PolarHBondContact O-N 2.75Å; Q884-S887 VanDerWaalsContact O-O 3.12Å; Q884-S887 PolarHBondContact O-OG 3.15Å |
| 885 | L | 58.6 | Low | 56.8 | Low | 36 Ų | 36 | 71.7 Ų | 71.7 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.4 | -31.7 | 176.5 | -80.4 | 179.2 | 0 | 0 | 0 | 112.7 | F881 I882 E899 L1052 | F881-L885 HydrophobicContact CD1-CD1 3.79Å; F881-L885 HydrophobicContact CD1-CG 4.13Å; F881-L885 HydrophobicContact CE1-CD1 3.24Å; F881-L885 HydrophobicContact CE1-CD2 4.23Å; F881-L885 HydrophobicContact CE1-CG 3.71Å; F881-L885 HydrophobicContact CE2-CD2 4.41Å; F881-L885 HydrophobicContact CE2-CG 4.36Å; F881-L885 HydrophobicContact CZ-CD1 3.78Å; F881-L885 HydrophobicContact CZ-CD2 3.89Å; F881-L885 HydrophobicContact CZ-CG 3.83Å; F881-L885 WeakPolarHBondContact O-CG 3.3Å; F881-L885 PolarHBondContact O-N 2.88Å; I882-L885 PolarHBondContact O-N 3.14Å; L885-E899 HydrophobicContact CD2-CB 4.22Å; L885-E899 HydrophobicContact CD2-CG 3.68Å; L885-L1052 HydrophobicContact CD1-CD2 4.44Å |
| 886 | Q | 52.6 | Low | 56.3 | Low | 98 Ų | 98 | 75.8 Ų | 75.8 | 46% | 0.458 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -86.8 | -19.6 | 175.7 | -68.2 | -168.4 | 4.7 | 0 | 0 | 113.4 | I882 T883 Q884 E888 | I882-Q886 PolarHBondContact O-N 3.07Å; T883-Q886 PolarHBondContact O-N 3.33Å; Q884-Q886 VanDerWaalsContact C-N 3.26Å; Q884-Q886 PolarHBondContact O-N 3.38Å; Q886-E888 PolarHBondContact O-N 3.18Å; Q886-E888 VanDerWaalsContact O-N 3.16Å |
| 887 | S | 52.2 | Low | 55.8 | Low | 55 Ų | 55 | 72.6 Ų | 72.6 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | trans | -80.2 | 92.4 | 169.7 | 65 | 0 | 0 | 0 | 0 | 109.5 | T883 Q884 T889 | T883-S887 PolarHBondContact O-N 3.23Å; Q884-S887 WeakPolarHBondContact CA-OG 3.49Å; Q884-S887 PolarHBondContact O-N 2.75Å; Q884-S887 VanDerWaalsContact O-O 3.12Å; Q884-S887 PolarHBondContact O-OG 3.15Å; S887-T889 PolarHBondContact O-N 2.9Å | ||
| 888 | E | 38.7 | Very low | 55.2 | Low | 186 Ų | 186 | 74 Ų | 74 | 87% | 0.869 | 41% | 0.409 | S | S | * | . | trans | -61.1 | 8.8 | -175.8 | -67.5 | -175.3 | 153.1 | 0 | 0 | 115.8 | Q886 | Q886-E888 PolarHBondContact O-N 3.18Å; Q886-E888 VanDerWaalsContact O-N 3.16Å | ||
| 889 | T | 41.8 | Very low | 54.6 | Low | 110 Ų | 110 | 76.2 Ų | 76.2 | 68% | 0.675 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -105.5 | 97.9 | -172.6 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | S887 | S887-T889 PolarHBondContact O-N 2.9Š|
| 890 | N | 45.2 | Very low | 54.2 | Low | 160 Ų | 160 | 77.7 Ų | 77.7 | 86% | 0.856 | 43% | 0.43 | S | S | * | . | trans | 74.5 | 77.9 | 167 | -55.8 | -35.2 | 0 | 0 | 0 | 117 | ||||
| 891 | I | 43.7 | Very low | 54 | Low | 63 Ų | 63 | 79 Ų | 79 | 32% | 0.323 | 43% | 0.432 | S | S | . | . | trans | -83 | 121.2 | 171.8 | -56.3 | 175.7 | 0 | 0 | 0 | 109.9 | L895 R896 | I891-L895 HydrophobicContact CG2-CB 3.37Å; I891-L895 HydrophobicContact CG2-CD1 4.34Å; I891-L895 HydrophobicContact CG2-CG 4.46Å; I891-R896 HydrophobicContact CG2-CG 3.94Å | ||
| 892 | A | 46.9 | Very low | 54.1 | Low | 58 Ų | 58 | 79 Ų | 79 | 48% | 0.479 | 43% | 0.432 | S | S | . | . | trans | -64.9 | 155.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D894 L895 R896 | A892-D894 VanDerWaalsContact C-N 3.27Å; A892-D894 PolarHBondContact O-N 3.37Å; A892-L895 HydrophobicContact CB-CD1 4.26Å; A892-L895 WeakPolarHBondContact O-CB 3.2Å; A892-L895 PolarHBondContact O-N 2.97Å; A892-R896 PolarHBondContact O-N 3.48Å | ||
| 893 | A | 48.5 | Very low | 53.9 | Low | 83 Ų | 83 | 81.1 Ų | 81.1 | 69% | 0.686 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -54.8 | -38.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | L895 R896 A897 | A893-L895 VanDerWaalsContact C-N 3.33Å; A893-L895 PolarHBondContact O-N 3.13Å; A893-R896 PolarHBondContact O-N 3.21Å; A893-A897 PolarHBondContact O-N 3.06Å |
| 894 | D | 48.9 | Very low | 54 | Low | 129 Ų | 129 | 81.5 Ų | 81.5 | 69% | 0.69 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.8 | -30.9 | 178.1 | -71 | -19.8 | 0 | 0 | 0 | 113.5 | A892 N898 | A892-D894 VanDerWaalsContact C-N 3.27Å; A892-D894 PolarHBondContact O-N 3.37Å; D894-N898 PolarHBondContact O-N 2.98Å; D894-N898 PolarHBondContact O-ND2 2.97Å |
| 895 | L | 50.8 | Low | 54.4 | Low | 39 Ų | 39 | 77.1 Ų | 77.1 | 20% | 0.204 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.5 | -33.9 | 177.2 | -80.7 | 156.7 | 0 | 0 | 0 | 111.1 | F881 I891 A892 A893 N898 E899 | F881-L895 HydrophobicContact CD2-CD2 3.4Å; F881-L895 HydrophobicContact CE2-CD2 3.45Å; F881-L895 VanDerWaalsContact CE2-CD2 3.45Å; I891-L895 HydrophobicContact CG2-CB 3.37Å; I891-L895 HydrophobicContact CG2-CD1 4.34Å; I891-L895 HydrophobicContact CG2-CG 4.46Å; A892-L895 HydrophobicContact CB-CD1 4.26Å; A892-L895 WeakPolarHBondContact O-CB 3.2Å; A892-L895 PolarHBondContact O-N 2.97Å; A893-L895 VanDerWaalsContact C-N 3.33Å; A893-L895 PolarHBondContact O-N 3.13Å; L895-N898 PolarHBondContact O-N 2.78Å; L895-E899 WeakPolarHBondContact O-CB 3.39Å; L895-E899 PolarHBondContact O-N 2.92Å |
| 896 | R | 52.5 | Low | 55 | Low | 165 Ų | 165 | 75.5 Ų | 75.5 | 62% | 0.623 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 177.1 | -73.5 | -167.2 | -179.5 | 179 | 0.7 | 112.9 | I891 A892 A893 N898 E899 I900 | I891-R896 HydrophobicContact CG2-CG 3.94Å; A892-R896 PolarHBondContact O-N 3.48Å; A893-R896 PolarHBondContact O-N 3.21Å; R896-N898 VanDerWaalsContact C-N 3.27Å; R896-N898 PolarHBondContact O-N 3.39Å; R896-E899 PolarHBondContact O-N 3.43Å; R896-I900 WeakPolarHBondContact O-CD1 3.14Å; R896-I900 VanDerWaalsContact O-CG1 3.22Å; R896-I900 WeakPolarHBondContact O-CG1 3.39Å; R896-I900 PolarHBondContact O-N 3.05Å; R896-I900 VanDerWaalsContact O-N 3.11Å |
| 897 | A | 54.1 | Low | 55.7 | Low | 54 Ų | 54 | 74 Ų | 74 | 45% | 0.446 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A893 I900 N901 | A893-A897 PolarHBondContact O-N 3.06Å; A897-I900 PolarHBondContact O-N 3.25Å; A897-N901 PolarHBondContact O-N 3.03Å |
| 898 | N | 55.7 | Low | 56.3 | Low | 41 Ų | 41 | 71.5 Ų | 71.5 | 22% | 0.219 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72 | -38.3 | 178.6 | -71.8 | -49.5 | 0 | 0 | 0 | 113.1 | D894 L895 R896 I900 N901 I902 | D894-N898 PolarHBondContact O-N 2.98Å; D894-N898 PolarHBondContact O-ND2 2.97Å; L895-N898 PolarHBondContact O-N 2.78Å; R896-N898 VanDerWaalsContact C-N 3.27Å; R896-N898 PolarHBondContact O-N 3.39Å; N898-I900 VanDerWaalsContact C-N 3.29Å; N898-I900 PolarHBondContact O-N 3.13Å; N898-N901 PolarHBondContact O-N 2.59Å; N898-I902 WeakPolarHBondContact O-CD1 3.4Å; N898-I902 WeakPolarHBondContact O-CG1 3.28Å; N898-I902 PolarHBondContact O-N 2.76Å |
| 899 | E | 57 | Low | 57.8 | Low | 46 Ų | 46 | 62.7 Ų | 62.7 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 172.8 | -175.6 | -174.5 | 170.4 | 0 | 0 | 111.3 | F881 L885 L895 R896 N901 I902 R903 | F881-E899 HydrophobicContact CZ-CB 4.15Å; L885-E899 HydrophobicContact CD2-CB 4.22Å; L885-E899 HydrophobicContact CD2-CG 3.68Å; L895-E899 WeakPolarHBondContact O-CB 3.39Å; L895-E899 PolarHBondContact O-N 2.92Å; R896-E899 PolarHBondContact O-N 3.43Å; E899-N901 PolarHBondContact O-N 3.3Å; E899-I902 PolarHBondContact O-N 2.86Å; E899-R903 WeakPolarHBondContact O-CB 3.5Å; E899-R903 PolarHBondContact O-N 3.2Å |
| 900 | I | 60.1 | Low | 59 | Low | 85 Ų | 85 | 57.5 Ų | 57.5 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 178.3 | -68 | 160.1 | 0 | 0 | 0 | 110.5 | R896 A897 N898 I902 R903 D904 | R896-I900 WeakPolarHBondContact O-CD1 3.14Å; R896-I900 VanDerWaalsContact O-CG1 3.22Å; R896-I900 WeakPolarHBondContact O-CG1 3.39Å; R896-I900 PolarHBondContact O-N 3.05Å; R896-I900 VanDerWaalsContact O-N 3.11Å; A897-I900 PolarHBondContact O-N 3.25Å; N898-I900 VanDerWaalsContact C-N 3.29Å; N898-I900 PolarHBondContact O-N 3.13Å; I900-I902 PolarHBondContact O-N 2.8Å; I900-R903 PolarHBondContact O-N 3.2Å; I900-D904 WeakPolarHBondContact CG2-OD2 3.48Å; I900-D904 WeakPolarHBondContact O-CB 3.49Å; I900-D904 PolarHBondContact O-N 3.28Å |
| 901 | N | 66 | Low | 60 | Low | 81 Ų | 81 | 52.1 Ų | 52.1 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | -176.3 | -67.1 | -14.1 | 0 | 0 | 0 | 113.2 | A897 N898 E899 A905 | A897-N901 PolarHBondContact O-N 3.03Å; N898-N901 PolarHBondContact O-N 2.59Å; E899-N901 PolarHBondContact O-N 3.3Å; N901-A905 WeakPolarHBondContact O-CB 3.27Å; N901-A905 PolarHBondContact O-N 2.88Å |
| 902 | I | 69.1 | Low | 61.1 | Low | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 178 | -57.2 | 155.2 | 0 | 0 | 0 | 110 | L866 W869 F881 N898 E899 I900 D904 A905 L906 | L866-I902 HydrophobicContact CD2-CG2 4.28Å; W869-I902 HydrophobicContact CB-CG1 4.44Å; W869-I902 HydrophobicContact CD2-CD1 3.5Å; W869-I902 HydrophobicContact CD2-CG1 3.5Å; W869-I902 VanDerWaalsContact CD2-CG1 3.5Å; W869-I902 HydrophobicContact CE3-CD1 3.98Å; W869-I902 HydrophobicContact CE3-CG1 3.95Å; W869-I902 HydrophobicContact CG-CD1 4.04Å; W869-I902 HydrophobicContact CG-CG1 3.65Å; W869-I902 HydrophobicContact CH2-CD1 3.76Å; W869-I902 HydrophobicContact CZ2-CD1 3.27Å; W869-I902 HydrophobicContact CZ2-CG1 4.24Å; W869-I902 HydrophobicContact CZ3-CD1 4.08Å; W869-I902 HydrophobicContact CZ3-CG1 4.46Å; F881-I902 HydrophobicContact CD1-CD1 4.04Å; F881-I902 HydrophobicContact CE1-CD1 3.25Å; F881-I902 HydrophobicContact CZ-CD1 3.71Å; N898-I902 WeakPolarHBondContact O-CD1 3.4Å; N898-I902 WeakPolarHBondContact O-CG1 3.28Å; N898-I902 PolarHBondContact O-N 2.76Å; E899-I902 PolarHBondContact O-N 2.86Å; I900-I902 PolarHBondContact O-N 2.8Å; I902-D904 VanDerWaalsContact C-N 3.31Å; I902-D904 PolarHBondContact O-N 2.8Å; I902-A905 PolarHBondContact O-N 3.41Å; I902-L906 HydrophobicContact CG2-CD1 3.89Å; I902-L906 HydrophobicContact CG2-CG 4.3Å; I902-L906 WeakPolarHBondContact O-CB 3.3Å; I902-L906 PolarHBondContact O-N 3.41Å |
| 903 | R | 62.8 | Low | 61.9 | Low | 50 Ų | 50 | 46.9 Ų | 46.9 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 179.9 | -165.3 | -176.2 | 79.4 | 150.9 | 14.4 | 110.1 | E899 I900 A905 F907 L1046 | E899-R903 WeakPolarHBondContact O-CB 3.5Å; E899-R903 PolarHBondContact O-N 3.2Å; I900-R903 PolarHBondContact O-N 3.2Å; R903-A905 VanDerWaalsContact C-N 3.31Å; R903-A905 PolarHBondContact O-N 2.86Å; R903-F907 WeakPolarHBondContact O-CA 3.46Å; R903-F907 WeakPolarHBondContact O-CB 3.49Å; R903-F907 PolarHBondContact O-N 2.81Å; R903-L1046 PolarHBondContact NH1-O 2.95Å; R903-L1046 PolarHBondContact NH2-O 3.35Å |
| 904 | D | 65.6 | Low | 62 | Low | 76 Ų | 76 | 47.4 Ų | 47.4 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.4 | -35.1 | 176.7 | -71.8 | -7.3 | 0 | 0 | 0 | 111.6 | I900 I902 G908 | I900-D904 WeakPolarHBondContact CG2-OD2 3.48Å; I900-D904 WeakPolarHBondContact O-CB 3.49Å; I900-D904 PolarHBondContact O-N 3.28Å; I902-D904 VanDerWaalsContact C-N 3.31Å; I902-D904 PolarHBondContact O-N 2.8Å; D904-G908 WeakPolarHBondContact O-CA 3.39Å; D904-G908 PolarHBondContact O-N 3.31Å |
| 905 | A | 71.5 | Confident | 61.8 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.7 | -49.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y862 L865 L866 N901 I902 R903 F907 G908 L909 | Y862-A905 HydrophobicContact CD1-CB 4.43Å; L865-A905 HydrophobicContact CB-CB 4.16Å; L866-A905 HydrophobicContact CD2-CB 3.63Å; L866-A905 HydrophobicContact CG-CB 3.85Å; N901-A905 WeakPolarHBondContact O-CB 3.27Å; N901-A905 PolarHBondContact O-N 2.88Å; I902-A905 PolarHBondContact O-N 3.41Å; R903-A905 VanDerWaalsContact C-N 3.31Å; R903-A905 PolarHBondContact O-N 2.86Å; A905-F907 VanDerWaalsContact C-N 3.34Å; A905-F907 PolarHBondContact O-N 2.91Å; A905-G908 PolarHBondContact O-N 3.39Å; A905-L909 PolarHBondContact O-N 3.49Å |
| 906 | L | 70.8 | Confident | 61.1 | Low | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.4 | -74 | 174.4 | 0 | 0 | 0 | 111.3 | L866 I902 T910 L974 L1052 L1055 V1056 L1059 | L866-L906 HydrophobicContact CD1-CD2 4.04Å; L866-L906 HydrophobicContact CD2-CD2 4.42Å; L866-L906 HydrophobicContact CD2-CG 4.22Å; I902-L906 HydrophobicContact CG2-CD1 3.89Å; I902-L906 HydrophobicContact CG2-CG 4.3Å; I902-L906 WeakPolarHBondContact O-CB 3.3Å; I902-L906 PolarHBondContact O-N 3.41Å; L906-T910 WeakPolarHBondContact O-CB 3.48Å; L906-T910 PolarHBondContact O-N 2.84Å; L906-T910 PolarHBondContact O-OG1 3.34Å; L906-L974 HydrophobicContact CD2-CD1 4.46Å; L906-L1052 HydrophobicContact CD1-CD2 4.13Å; L906-L1055 HydrophobicContact CB-CD1 4.36Å; L906-V1056 HydrophobicContact CD1-CG2 4.27Å; L906-V1056 HydrophobicContact CD2-CG2 4.43Å; L906-L1059 HydrophobicContact CD2-CD1 3.93Å |
| 907 | F | 67 | Low | 60.2 | Low | 68 Ų | 68 | 38 Ų | 38 | 30% | 0.298 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 174.9 | -172.9 | -96.8 | 0 | 0 | 0 | 111.2 | R903 A905 T910 R911 I1050 L1055 | R903-F907 WeakPolarHBondContact O-CA 3.46Å; R903-F907 WeakPolarHBondContact O-CB 3.49Å; R903-F907 PolarHBondContact O-N 2.81Å; A905-F907 VanDerWaalsContact C-N 3.34Å; A905-F907 PolarHBondContact O-N 2.91Å; F907-T910 PolarHBondContact O-N 3.02Å; F907-R911 WeakPolarHBondContact O-CA 3.24Å; F907-R911 WeakPolarHBondContact O-CB 3.29Å; F907-R911 PolarHBondContact O-N 2.84Å; F907-I1050 HydrophobicContact CD2-CD1 4.07Å; F907-I1050 HydrophobicContact CE2-CD1 3.72Å; F907-L1055 HydrophobicContact CB-CD1 4.41Å; F907-L1055 HydrophobicContact CD2-CD2 4.18Å |
| 908 | G | 65.8 | Low | 59.2 | Low | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -52.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y862 D904 A905 T910 R911 L912 | Y862-G908 VanDerWaalsContact CZ-CA 3.4Å; D904-G908 WeakPolarHBondContact O-CA 3.39Å; D904-G908 PolarHBondContact O-N 3.31Å; A905-G908 PolarHBondContact O-N 3.39Å; G908-T910 PolarHBondContact O-N 3.17Å; G908-R911 WeakPolarHBondContact O-CB 3.48Å; G908-R911 PolarHBondContact O-N 3.49Å; G908-L912 WeakPolarHBondContact O-CG 3.3Å; G908-L912 PolarHBondContact O-N 2.92Å |
| 909 | L | 70.8 | Confident | 58 | Low | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 174.1 | -84.1 | 150.1 | 0 | 0 | 0 | 111.7 | A859 L866 A905 R911 L912 T913 I961 V965 L1059 | A859-L909 HydrophobicContact CB-CD2 4.49Å; L866-L909 HydrophobicContact CD1-CD1 3.47Å; L866-L909 VanDerWaalsContact CD1-CD1 3.47Å; L866-L909 HydrophobicContact CG-CD1 4.47Å; A905-L909 PolarHBondContact O-N 3.49Å; L909-R911 VanDerWaalsContact C-N 3.28Å; L909-R911 PolarHBondContact O-N 3.36Å; L909-L912 PolarHBondContact O-N 3.44Å; L909-T913 WeakPolarHBondContact O-CG2 3.44Å; L909-T913 PolarHBondContact O-N 2.86Å; L909-T913 VanDerWaalsContact O-N 3.17Å; L909-I961 HydrophobicContact CD2-CG2 4.33Å; L909-V965 HydrophobicContact CD2-CG2 4.05Å; L909-L1059 HydrophobicContact CB-CD1 4.13Å; L909-L1059 HydrophobicContact CB-CD2 3.83Å |
| 910 | T | 67.1 | Low | 56.7 | Low | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | -179.8 | -48.3 | 0 | 0 | 0 | 0 | 111 | L906 F907 G908 T913 L914 L1055 T1058 | L906-T910 WeakPolarHBondContact O-CB 3.48Å; L906-T910 PolarHBondContact O-N 2.84Å; L906-T910 PolarHBondContact O-OG1 3.34Å; F907-T910 PolarHBondContact O-N 3.02Å; G908-T910 PolarHBondContact O-N 3.17Å; T910-T913 WeakPolarHBondContact CA-OG1 3.32Å; T910-T913 PolarHBondContact O-N 2.97Å; T910-T913 PolarHBondContact O-OG1 3.44Å; T910-L914 HydrophobicContact CG2-CD1 3.65Å; T910-L914 HydrophobicContact CG2-CG 4.12Å; T910-L914 WeakPolarHBondContact O-CB 3.3Å; T910-L914 WeakPolarHBondContact O-CG 3.46Å; T910-L914 PolarHBondContact O-N 2.89Å; T910-L1055 HydrophobicContact CG2-CD2 3.97Å; T910-T1058 HydrophobicContact CG2-CG2 3.68Å |
| 911 | R | 66.1 | Low | 55.3 | Low | 47 Ų | 47 | 36 Ų | 36 | 18% | 0.177 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 176.6 | 176.7 | -172.3 | -179.6 | -173.8 | 2.9 | 112 | R293 F294 F907 G908 L909 T913 L914 N915 | R293-R911 VanDerWaalsContact N-NH2 3.18Å; F294-R911 VanDerWaalsContact CB-CZ 3.4Å; F907-R911 WeakPolarHBondContact O-CA 3.24Å; F907-R911 WeakPolarHBondContact O-CB 3.29Å; F907-R911 PolarHBondContact O-N 2.84Å; G908-R911 WeakPolarHBondContact O-CB 3.48Å; G908-R911 PolarHBondContact O-N 3.49Å; L909-R911 VanDerWaalsContact C-N 3.28Å; L909-R911 PolarHBondContact O-N 3.36Å; R911-T913 PolarHBondContact O-N 3.49Å; R911-L914 PolarHBondContact O-N 3.4Å; R911-N915 PolarHBondContact O-N 3.39Å |
| 912 | L | 66.6 | Low | 53.6 | Low | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -39.7 | 175.3 | -66.3 | 173 | 0 | 0 | 0 | 110.1 | F294 Y855 E858 A859 Y862 G908 L909 I961 | F294-L912 HydrophobicContact CD1-CD2 3.82Å; F294-L912 HydrophobicContact CD2-CD2 4.1Å; F294-L912 HydrophobicContact CE1-CD2 3.51Å; F294-L912 HydrophobicContact CE2-CD2 3.82Å; F294-L912 HydrophobicContact CG-CD2 4.12Å; F294-L912 HydrophobicContact CZ-CD2 3.5Å; Y855-L912 HydrophobicContact CD1-CB 4.41Å; Y855-L912 HydrophobicContact CD1-CD2 3.89Å; Y855-L912 HydrophobicContact CE1-CD2 4.01Å; E858-L912 HydrophobicContact CB-CD1 4.3Å; E858-L912 HydrophobicContact CG-CD1 4Å; E858-L912 HydrophobicContact CG-CD2 4.13Å; A859-L912 HydrophobicContact CB-CD1 4.12Å; Y862-L912 HydrophobicContact CD2-CD1 3.86Å; Y862-L912 HydrophobicContact CE2-CD1 4.03Å; Y862-L912 HydrophobicContact CE2-CG 4.39Å; G908-L912 WeakPolarHBondContact O-CG 3.3Å; G908-L912 PolarHBondContact O-N 2.92Å; L909-L912 PolarHBondContact O-N 3.44Å; L912-I961 HydrophobicContact CB-CD1 3.31Å; L912-I961 HydrophobicContact CB-CG1 4.06Å; L912-I961 WeakPolarHBondContact O-CD1 3.43Å |
| 913 | T | 63.5 | Low | 51.6 | Low | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.6 | -28.3 | 179.9 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | L909 T910 R911 I961 L1059 T1062 | L909-T913 WeakPolarHBondContact O-CG2 3.44Å; L909-T913 PolarHBondContact O-N 2.86Å; L909-T913 VanDerWaalsContact O-N 3.17Å; T910-T913 WeakPolarHBondContact CA-OG1 3.32Å; T910-T913 PolarHBondContact O-N 2.97Å; T910-T913 PolarHBondContact O-OG1 3.44Å; R911-T913 PolarHBondContact O-N 3.49Å; T913-I961 HydrophobicContact CG2-CB 4.09Å; T913-I961 HydrophobicContact CG2-CD1 3.83Å; T913-I961 HydrophobicContact CG2-CG2 3.7Å; T913-I961 VanDerWaalsContact N-CD1 3.34Å; T913-L1059 HydrophobicContact CG2-CD2 4.2Å; T913-T1062 HydrophobicContact CG2-CG2 4.08Å |
| 914 | L | 50.4 | Low | 50 | Low | 95 Ų | 95 | 43.6 Ų | 43.6 | 50% | 0.497 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 6.6 | -174.3 | -71.7 | 178.8 | 0 | 0 | 0 | 113.3 | T910 R911 S916 T1058 | T910-L914 HydrophobicContact CG2-CD1 3.65Å; T910-L914 HydrophobicContact CG2-CG 4.12Å; T910-L914 WeakPolarHBondContact O-CB 3.3Å; T910-L914 WeakPolarHBondContact O-CG 3.46Å; T910-L914 PolarHBondContact O-N 2.89Å; R911-L914 PolarHBondContact O-N 3.4Å; L914-S916 VanDerWaalsContact C-N 3.32Å; L914-S916 PolarHBondContact O-N 3.29Å; L914-S916 PolarHBondContact O-OG 2.9Å; L914-T1058 HydrophobicContact CD1-CG2 4.29Å; L914-T1058 HydrophobicContact CD2-CG2 4.02Å; L914-T1058 HydrophobicContact CG-CG2 4.2Å |
| 915 | N | 44.4 | Very low | 48.2 | Very low | 51 Ų | 51 | 44.5 Ų | 44.5 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | trans | -63.3 | 89.7 | -162.2 | -145.7 | 11.7 | 0 | 0 | 0 | 112.9 | Y855 R911 I917 | Y855-N915 PolarHBondContact OH-ND2 3.25Å; Y855-N915 VanDerWaalsContact OH-ND2 3.07Å; R911-N915 PolarHBondContact O-N 3.39Å; N915-I917 PolarHBondContact O-N 3.39Å | ||
| 916 | S | 35.4 | Very low | 46.1 | Very low | 34 Ų | 34 | 50 Ų | 50 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | trans | -94.2 | 78.8 | 174.9 | 48.8 | 0 | 0 | 0 | 0 | 109 | L914 G918 W1118 | L914-S916 VanDerWaalsContact C-N 3.32Å; L914-S916 PolarHBondContact O-N 3.29Å; L914-S916 PolarHBondContact O-OG 2.9Å; S916-G918 PolarHBondContact O-N 3.49Å; S916-W1118 WeakPolarHBondContact OG-CZ2 3.2Å | ||
| 917 | I | 35.3 | Very low | 43.8 | Very low | 49 Ų | 49 | 56.6 Ų | 56.6 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | trans | 59.7 | -6.1 | 138.1 | -62.9 | -177.4 | 0 | 0 | 0 | 120 | N915 Q919 L950 T954 | N915-I917 PolarHBondContact O-N 3.39Å; I917-Q919 VanDerWaalsContact C-N 3.26Å; I917-Q919 PolarHBondContact O-N 3.29Å; I917-L950 HydrophobicContact CB-CD1 3.91Å; I917-L950 HydrophobicContact CD1-CD1 3.43Å; I917-L950 VanDerWaalsContact CD1-CD1 3.43Å; I917-L950 HydrophobicContact CD1-CD2 3.85Å; I917-L950 HydrophobicContact CD1-CG 3.41Å; I917-L950 VanDerWaalsContact CD1-CG 3.41Å; I917-L950 HydrophobicContact CG1-CD1 3.33Å; I917-L950 HydrophobicContact CG1-CG 3.94Å; I917-L950 HydrophobicContact CG2-CD1 3.64Å; I917-L950 HydrophobicContact CG2-CD2 4.2Å; I917-L950 HydrophobicContact CG2-CG 4.37Å; I917-T954 HydrophobicContact CD1-CG2 3.26Å; I917-T954 HydrophobicContact CG1-CG2 3.7Å | ||
| 918 | G | 32 | Very low | 41.9 | Very low | 34 Ų | 34 | 57.7 Ų | 57.7 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 0.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | S916 R1125 | S916-G918 PolarHBondContact O-N 3.49Å; G918-R1125 PolarHBondContact O-NE 3.49Å; G918-R1125 VanDerWaalsContact O-NE 3.08Å; G918-R1125 PolarHBondContact O-NH1 2.92Å; G918-R1125 VanDerWaalsContact O-NH1 3.11Å; G918-R1125 PolarHBondContact O-NH2 3.08Å |
| 919 | Q | 31.2 | Very low | 40.1 | Very low | 72 Ų | 72 | 63.8 Ų | 63.8 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.4 | -17.9 | 179 | -74.6 | -166.6 | -29.9 | 0 | 0 | 116.4 | I917 S921 N922 F923 | I917-Q919 VanDerWaalsContact C-N 3.26Å; I917-Q919 PolarHBondContact O-N 3.29Å; Q919-S921 PolarHBondContact O-N 2.86Å; Q919-N922 PolarHBondContact O-N 3.02Å; Q919-F923 PolarHBondContact O-N 3.18Å |
| 920 | L | 30.3 | Very low | 38 | Very low | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.4 | 176.2 | -108 | 157 | 0 | 0 | 0 | 112.7 | F297 N922 F923 L953 | F297-L920 HydrophobicContact CD2-CD2 3.95Å; F297-L920 HydrophobicContact CE2-CD1 4.46Å; F297-L920 HydrophobicContact CE2-CD2 3.65Å; L920-N922 VanDerWaalsContact C-N 3.34Å; L920-N922 PolarHBondContact O-N 3.43Å; L920-F923 PolarHBondContact O-N 3.26Å; L920-L953 HydrophobicContact CD1-CD1 3.74Å |
| 921 | S | 29.4 | Very low | 35.9 | Very low | 35 Ų | 35 | 74.8 Ų | 74.8 | 25% | 0.245 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -32.4 | 172.9 | 76.2 | 0 | 0 | 0 | 0 | 112.7 | Q919 F923 D925 R1125 | Q919-S921 PolarHBondContact O-N 2.86Å; S921-F923 VanDerWaalsContact C-N 3.3Å; S921-F923 PolarHBondContact O-N 3.21Å; S921-D925 WeakPolarHBondContact O-CB 3.3Å; S921-D925 PolarHBondContact O-N 3.26Å; S921-R1125 PolarHBondContact OG-NH1 3.3Å |
| 922 | N | 30.4 | Very low | 33.9 | Very low | 87 Ų | 87 | 75.7 Ų | 75.7 | 47% | 0.465 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -73.5 | -26.2 | 179.1 | -74.2 | 28.7 | 0 | 0 | 0 | 112.2 | Q919 L920 M924 D925 R1125 | Q919-N922 PolarHBondContact O-N 3.02Å; L920-N922 VanDerWaalsContact C-N 3.34Å; L920-N922 PolarHBondContact O-N 3.43Å; N922-M924 PolarHBondContact O-N 3.31Å; N922-D925 PolarHBondContact O-N 3.39Å; N922-R1125 PolarHBondContact ND2-NH2 3.46Å; N922-R1125 PolarHBondContact OD1-NH1 3.17Å; N922-R1125 PolarHBondContact OD1-NH2 3.48Å |
| 923 | F | 27.7 | Very low | 31.9 | Very low | 87 Ų | 87 | 81.6 Ų | 81.6 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -72.4 | -12.2 | -177 | -124.8 | -82.6 | 0 | 0 | 0 | 113.6 | I287 N295 Q919 L920 S921 | I287-F923 HydrophobicContact CD1-CE1 4.11Å; I287-F923 HydrophobicContact CD1-CZ 3.74Å; I287-F923 HydrophobicContact CG1-CE1 4.21Å; I287-F923 HydrophobicContact CG1-CE2 4.32Å; I287-F923 HydrophobicContact CG1-CZ 3.56Å; I287-F923 HydrophobicContact CG2-CZ 4.47Å; N295-F923 WeakPolarHBondContact ND2-CE2 3.34Å; Q919-F923 PolarHBondContact O-N 3.18Å; L920-F923 PolarHBondContact O-N 3.26Å; S921-F923 VanDerWaalsContact C-N 3.3Å; S921-F923 PolarHBondContact O-N 3.21Å |
| 924 | M | 28.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 86.8 Ų | 86.8 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -128.6 | 11 | 179.9 | -69.5 | -72.1 | -169.1 | 0 | 0 | 111.8 | N922 K946 | N922-M924 PolarHBondContact O-N 3.31Å; M924-K946 HydrophobicContact CB-CD 4.25Å; M924-K946 HydrophobicContact CB-CG 4.29Å; M924-K946 VanDerWaalsContact O-CE 3.22Å; M924-K946 WeakPolarHBondContact O-CE 3.11Å; M924-K946 PolarHBondContact O-NZ 2.9Å |
| 925 | D | 27.9 | Very low | 29.5 | Very low | 95 Ų | 95 | 88.2 Ų | 88.2 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | trans | -100.9 | 72.3 | 171.1 | -75.2 | -9.5 | 0 | 0 | 0 | 109 | S921 N922 K946 | S921-D925 WeakPolarHBondContact O-CB 3.3Å; S921-D925 PolarHBondContact O-N 3.26Å; N922-D925 PolarHBondContact O-N 3.39Å; D925-K946 IonicContact OD1-NZ 3.53Å; D925-K946 PolarHBondContact OD1-NZ 3.48Å | ||
| 926 | I | 27.1 | Very low | 28.7 | Very low | 114 Ų | 114 | 93 Ų | 93 | 59% | 0.585 | 55% | 0.552 | S | S | * | * | trans | -130.8 | 92.3 | 162 | -60.4 | -177.9 | 0 | 0 | 0 | 108 | S928 | I926-S928 WeakPolarHBondContact CG2-OG 3.46Å; I926-S928 PolarHBondContact O-N 2.85Å; I926-S928 VanDerWaalsContact O-N 3.11Å | ||
| 927 | D | 24.5 | Very low | 28.5 | Very low | 140 Ų | 140 | 96.6 Ų | 96.6 | 75% | 0.749 | 57% | 0.569 | S | S | * | * | trans | -77.6 | 52.6 | 168.7 | -77.7 | -36.8 | 0 | 0 | 0 | 111.5 | ||||
| 928 | S | 26.4 | Very low | 28.5 | Very low | 91 Ų | 91 | 100.2 Ų | 100.2 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | trans | -109.6 | 34.3 | -179.8 | 75.4 | 0 | 0 | 0 | 0 | 114.4 | I926 | I926-S928 WeakPolarHBondContact CG2-OG 3.46Å; I926-S928 PolarHBondContact O-N 2.85Å; I926-S928 VanDerWaalsContact O-N 3.11Å | ||
| 929 | I | 28 | Very low | 28.5 | Very low | 129 Ų | 129 | 104.4 Ų | 104.4 | 66% | 0.662 | 60% | 0.598 | S | S | * | * | trans | -136.3 | 57.6 | 159.7 | -46.2 | 177.9 | 0 | 0 | 0 | 109.3 | G931 | I929-G931 PolarHBondContact O-N 3.11Å; I929-G931 VanDerWaalsContact O-N 3.14Å | ||
| 930 | N | 26.6 | Very low | 28.4 | Very low | 163 Ų | 163 | 108 Ų | 108 | 87% | 0.872 | 61% | 0.612 | S | S | * | * | trans | -80.4 | 79.2 | 157.5 | -90 | -36 | 0 | 0 | 0 | 108.4 | ||||
| 931 | G | 23.1 | Very low | 29.2 | Very low | 72 Ų | 72 | 107.2 Ų | 107.2 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | trans | -153 | 27.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I929 | I929-G931 PolarHBondContact O-N 3.11Å; I929-G931 VanDerWaalsContact O-N 3.14Å | ||
| 932 | G | 24.7 | Very low | 29.9 | Very low | 65 Ų | 65 | 108.2 Ų | 108.2 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | trans | -164.8 | 101.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V934 | G932-V934 VanDerWaalsContact C-N 3.31Å; G932-V934 PolarHBondContact O-N 3.36Å | ||
| 933 | S | 23 | Very low | 30.7 | Very low | 126 Ų | 126 | 110 Ų | 110 | 88% | 0.881 | 62% | 0.619 | S | S | * | * | trans | -67.9 | 83.4 | 169.5 | 163.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 934 | V | 29.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 110.1 Ų | 110.1 | 71% | 0.709 | 62% | 0.624 | S | S | * | * | trans | -150.4 | 120.2 | 164.7 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | G932 | G932-V934 VanDerWaalsContact C-N 3.31Å; G932-V934 PolarHBondContact O-N 3.36Å | ||
| 935 | D | 33.8 | Very low | 33 | Very low | 126 Ų | 126 | 106.1 Ų | 106.1 | 67% | 0.674 | 60% | 0.604 | S | S | * | * | trans | 61.1 | 102.2 | 158.9 | -55 | -19 | 0 | 0 | 0 | 120.8 | N937 | D935-N937 PolarHBondContact O-N 2.99Š| ||
| 936 | N | 27.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 104.2 Ų | 104.2 | 80% | 0.802 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 15 | 175.7 | -71 | -33 | 0 | 0 | 0 | 116.9 | ||
| 937 | N | 32.7 | Very low | 35.5 | Very low | 110 Ų | 110 | 104.6 Ų | 104.6 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -20.1 | -176.8 | -78.8 | 1.8 | 0 | 0 | 0 | 114.4 | D935 | D935-N937 PolarHBondContact O-N 2.99Š|
| 938 | H | 35.5 | Very low | 37.2 | Very low | 126 Ų | 126 | 101.3 Ų | 101.3 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -81.1 | -28.8 | -176.5 | -80 | -66.4 | 0 | 0 | 0 | 114.5 | F940 | H938-F940 VanDerWaalsContact C-N 3.31Å; H938-F940 PolarHBondContact O-N 3.12Å |
| 939 | L | 31.2 | Very low | 38.9 | Very low | 121 Ų | 121 | 97.7 Ų | 97.7 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.3 | -31.2 | -179.5 | -159.9 | 72 | 0 | 0 | 0 | 112.4 | N941 | L939-N941 VanDerWaalsContact C-N 3.29Å; L939-N941 PolarHBondContact O-N 3.32Å |
| 940 | F | 29.6 | Very low | 40.2 | Very low | 147 Ų | 147 | 93.4 Ų | 93.4 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.9 | -20.8 | -177.5 | -99 | -80.6 | 0 | 0 | 0 | 114.4 | H938 N944 | H938-F940 VanDerWaalsContact C-N 3.31Å; H938-F940 PolarHBondContact O-N 3.12Å; F940-N944 PolarHBondContact O-ND2 3.07Å |
| 941 | N | 46.7 | Very low | 41.6 | Very low | 29 Ų | 29 | 88.6 Ų | 88.6 | 16% | 0.155 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -85.2 | -36.5 | -179.1 | -79.3 | -15.7 | 0 | 0 | 0 | 112.8 | M831 L939 N944 I945 | M831-N941 PolarHBondContact O-ND2 3.44Å; L939-N941 VanDerWaalsContact C-N 3.29Å; L939-N941 PolarHBondContact O-N 3.32Å; N941-N944 PolarHBondContact O-N 3.28Å; N941-I945 WeakPolarHBondContact O-CB 3.32Å; N941-I945 WeakPolarHBondContact O-CD1 3.5Å; N941-I945 WeakPolarHBondContact O-CG1 3.48Å; N941-I945 PolarHBondContact O-N 3.48Å |
| 942 | V | 44.5 | Very low | 43.4 | Very low | 56 Ų | 56 | 85.9 Ų | 85.9 | 34% | 0.339 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | -175.3 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | I945 K946 | V942-I945 PolarHBondContact O-N 2.89Å; V942-K946 WeakPolarHBondContact O-CG 3.5Å; V942-K946 PolarHBondContact O-N 3.34Å |
| 943 | E | 47.3 | Very low | 45.2 | Very low | 124 Ų | 124 | 83.4 Ų | 83.4 | 58% | 0.579 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 177.8 | -73.9 | -173.4 | 155.6 | 0 | 0 | 112.7 | I945 K946 E947 | E943-I945 VanDerWaalsContact C-N 3.34Å; E943-I945 PolarHBondContact O-N 2.7Å; E943-K946 WeakPolarHBondContact O-CB 3.31Å; E943-K946 PolarHBondContact O-N 2.83Å; E943-E947 PolarHBondContact O-N 3.1Å |
| 944 | N | 51.7 | Low | 46.7 | Very low | 91 Ų | 91 | 80.4 Ų | 80.4 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 175.8 | -73.7 | -27.9 | 0 | 0 | 0 | 111.7 | F940 N941 E947 Y948 | F940-N944 PolarHBondContact O-ND2 3.07Å; N941-N944 PolarHBondContact O-N 3.28Å; N944-E947 PolarHBondContact O-N 2.68Å; N944-Y948 VanDerWaalsContact O-CB 3.26Å; N944-Y948 WeakPolarHBondContact O-CB 3.32Å; N944-Y948 PolarHBondContact O-N 3.28Å |
| 945 | I | 51.6 | Low | 48 | Very low | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.185 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 174 | -71 | 164.5 | 0 | 0 | 0 | 110.6 | F827 M831 N941 V942 E943 E947 Y948 V949 | F827-I945 HydrophobicContact CE1-CB 4.46Å; F827-I945 HydrophobicContact CE1-CD1 4.4Å; F827-I945 HydrophobicContact CE1-CG1 4.23Å; F827-I945 HydrophobicContact CE1-CG2 3.49Å; F827-I945 VanDerWaalsContact CE1-CG2 3.49Å; F827-I945 HydrophobicContact CZ-CB 4.22Å; F827-I945 HydrophobicContact CZ-CD1 4.38Å; F827-I945 HydrophobicContact CZ-CG1 3.82Å; F827-I945 HydrophobicContact CZ-CG2 3.62Å; M831-I945 HydrophobicContact CB-CD1 3.73Å; M831-I945 HydrophobicContact CB-CG1 4.34Å; M831-I945 HydrophobicContact CG-CD1 4.33Å; M831-I945 HydrophobicContact CG-CG1 4.42Å; N941-I945 WeakPolarHBondContact O-CB 3.32Å; N941-I945 WeakPolarHBondContact O-CD1 3.5Å; N941-I945 WeakPolarHBondContact O-CG1 3.48Å; N941-I945 PolarHBondContact O-N 3.48Å; V942-I945 PolarHBondContact O-N 2.89Å; E943-I945 VanDerWaalsContact C-N 3.34Å; E943-I945 PolarHBondContact O-N 2.7Å; I945-E947 PolarHBondContact O-N 2.75Å; I945-Y948 PolarHBondContact O-N 3.27Å; I945-V949 HydrophobicContact CG2-CG2 4.31Å; I945-V949 VanDerWaalsContact O-CG2 3.31Å; I945-V949 WeakPolarHBondContact O-CG2 3.46Å; I945-V949 PolarHBondContact O-N 3.09Å |
| 946 | K | 53.3 | Low | 49.6 | Very low | 55 Ų | 55 | 73.9 Ų | 73.9 | 24% | 0.239 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -54.2 | -54 | 174.3 | -76.9 | 172.7 | 174.6 | 176.3 | 0 | 109.7 | M924 D925 V942 E943 Y948 V949 L950 | M924-K946 HydrophobicContact CB-CD 4.25Å; M924-K946 HydrophobicContact CB-CG 4.29Å; M924-K946 VanDerWaalsContact O-CE 3.22Å; M924-K946 WeakPolarHBondContact O-CE 3.11Å; M924-K946 PolarHBondContact O-NZ 2.9Å; D925-K946 IonicContact OD1-NZ 3.53Å; D925-K946 PolarHBondContact OD1-NZ 3.48Å; V942-K946 WeakPolarHBondContact O-CG 3.5Å; V942-K946 PolarHBondContact O-N 3.34Å; E943-K946 WeakPolarHBondContact O-CB 3.31Å; E943-K946 PolarHBondContact O-N 2.83Å; K946-Y948 VanDerWaalsContact C-N 3.33Å; K946-Y948 PolarHBondContact O-N 2.78Å; K946-V949 PolarHBondContact O-N 3.07Å; K946-L950 WeakPolarHBondContact O-CB 3.41Å; K946-L950 PolarHBondContact O-N 3.26Å |
| 947 | E | 54.9 | Low | 51.6 | Low | 122 Ų | 122 | 66.8 Ų | 66.8 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.9 | -38.8 | -178.7 | -168 | 174.9 | -172.2 | 0 | 0 | 112 | E943 N944 I945 L950 T951 | E943-E947 PolarHBondContact O-N 3.1Å; N944-E947 PolarHBondContact O-N 2.68Å; I945-E947 PolarHBondContact O-N 2.75Å; E947-L950 PolarHBondContact O-N 2.73Å; E947-T951 HydrophobicContact CG-CG2 4.31Å; E947-T951 WeakPolarHBondContact O-CB 3.45Å; E947-T951 VanDerWaalsContact O-CG2 3.23Å; E947-T951 WeakPolarHBondContact O-CG2 3.26Å; E947-T951 PolarHBondContact O-N 3.32Å; E947-T951 PolarHBondContact O-OG1 3.25Å |
| 948 | Y | 60.6 | Low | 53.2 | Low | 72 Ų | 72 | 62.3 Ų | 62.3 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -50.7 | 176.8 | -179 | -96.4 | 0 | 0 | 0 | 112.8 | S844 L847 I848 N944 I945 K946 L950 T951 T952 | S844-Y948 WeakPolarHBondContact CB-OH 3.39Å; L847-Y948 HydrophobicContact CD2-CD1 3.73Å; L847-Y948 HydrophobicContact CD2-CE1 3.76Å; I848-Y948 WeakPolarHBondContact CD1-OH 3.47Å; N944-Y948 VanDerWaalsContact O-CB 3.26Å; N944-Y948 WeakPolarHBondContact O-CB 3.32Å; N944-Y948 PolarHBondContact O-N 3.28Å; I945-Y948 PolarHBondContact O-N 3.27Å; K946-Y948 VanDerWaalsContact C-N 3.33Å; K946-Y948 PolarHBondContact O-N 2.78Å; Y948-L950 PolarHBondContact O-N 3.21Å; Y948-T951 WeakPolarHBondContact CA-OG1 3.41Å; Y948-T951 PolarHBondContact O-N 2.77Å; Y948-T951 PolarHBondContact O-OG1 3.2Å; Y948-T952 VanDerWaalsContact O-CB 3.26Å; Y948-T952 WeakPolarHBondContact O-CB 3.48Å; Y948-T952 PolarHBondContact O-N 3.26Å; Y948-T952 PolarHBondContact O-OG1 2.98Å |
| 949 | V | 61.3 | Low | 55.1 | Low | 14 Ų | 14 | 58.6 Ų | 58.6 | 9% | 0.085 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59 | -42.6 | 176 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | L847 L851 I945 K946 T952 L953 | L847-V949 HydrophobicContact CD1-CG2 4.27Å; L847-V949 HydrophobicContact CD2-CG2 3.48Å; L847-V949 VanDerWaalsContact CD2-CG2 3.48Å; L847-V949 HydrophobicContact CG-CG2 4.37Å; L851-V949 HydrophobicContact CD1-CG1 4.18Å; I945-V949 HydrophobicContact CG2-CG2 4.31Å; I945-V949 VanDerWaalsContact O-CG2 3.31Å; I945-V949 WeakPolarHBondContact O-CG2 3.46Å; I945-V949 PolarHBondContact O-N 3.09Å; K946-V949 PolarHBondContact O-N 3.07Å; V949-T952 PolarHBondContact O-N 3.18Å; V949-L953 HydrophobicContact CG1-CD1 3.85Å; V949-L953 HydrophobicContact CG1-CG 4.33Å; V949-L953 WeakPolarHBondContact O-CB 3.26Å; V949-L953 VanDerWaalsContact O-CG 3.26Å; V949-L953 WeakPolarHBondContact O-CG 3.31Å; V949-L953 PolarHBondContact O-N 3.39Å |
| 950 | L | 55 | Low | 57.5 | Low | 39 Ų | 39 | 53.6 Ų | 53.6 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -50.4 | -177.6 | -166.4 | 68.6 | 0 | 0 | 0 | 112.7 | I917 K946 E947 Y948 L953 T954 | I917-L950 HydrophobicContact CB-CD1 3.91Å; I917-L950 HydrophobicContact CD1-CD1 3.43Å; I917-L950 VanDerWaalsContact CD1-CD1 3.43Å; I917-L950 HydrophobicContact CD1-CD2 3.85Å; I917-L950 HydrophobicContact CD1-CG 3.41Å; I917-L950 VanDerWaalsContact CD1-CG 3.41Å; I917-L950 HydrophobicContact CG1-CD1 3.33Å; I917-L950 HydrophobicContact CG1-CG 3.94Å; I917-L950 HydrophobicContact CG2-CD1 3.64Å; I917-L950 HydrophobicContact CG2-CD2 4.2Å; I917-L950 HydrophobicContact CG2-CG 4.37Å; K946-L950 WeakPolarHBondContact O-CB 3.41Å; K946-L950 PolarHBondContact O-N 3.26Å; E947-L950 PolarHBondContact O-N 2.73Å; Y948-L950 PolarHBondContact O-N 3.21Å; L950-L953 PolarHBondContact O-N 3.12Å; L950-T954 PolarHBondContact O-N 3.36Å; L950-T954 VanDerWaalsContact O-N 3.07Å; L950-T954 PolarHBondContact O-OG1 3.01Å |
| 951 | T | 56.6 | Low | 59.9 | Low | 63 Ų | 63 | 46.6 Ų | 46.6 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.8 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | E947 Y948 T954 T955 | E947-T951 HydrophobicContact CG-CG2 4.31Å; E947-T951 WeakPolarHBondContact O-CB 3.45Å; E947-T951 VanDerWaalsContact O-CG2 3.23Å; E947-T951 WeakPolarHBondContact O-CG2 3.26Å; E947-T951 PolarHBondContact O-N 3.32Å; E947-T951 PolarHBondContact O-OG1 3.25Å; Y948-T951 WeakPolarHBondContact CA-OG1 3.41Å; Y948-T951 PolarHBondContact O-N 2.77Å; Y948-T951 PolarHBondContact O-OG1 3.2Å; T951-T954 PolarHBondContact O-N 3.08Å; T951-T954 PolarHBondContact O-OG1 3.41Å; T951-T955 WeakPolarHBondContact O-CG2 3.39Å; T951-T955 PolarHBondContact O-N 2.91Å; T951-T955 PolarHBondContact O-OG1 3.42Å |
| 952 | T | 60.4 | Low | 61.3 | Low | 14 Ų | 14 | 45.3 Ų | 45.3 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.1 | -50.9 | 175 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | I848 Y948 V949 T954 T955 A956 W960 | I848-T952 HydrophobicContact CG1-CG2 3.82Å; Y948-T952 VanDerWaalsContact O-CB 3.26Å; Y948-T952 WeakPolarHBondContact O-CB 3.48Å; Y948-T952 PolarHBondContact O-N 3.26Å; Y948-T952 PolarHBondContact O-OG1 2.98Å; V949-T952 PolarHBondContact O-N 3.18Å; T952-T954 PolarHBondContact O-N 3.22Å; T952-T955 PolarHBondContact O-N 3.39Å; T952-T955 PolarHBondContact O-OG1 3.03Å; T952-A956 VanDerWaalsContact O-CB 3.26Å; T952-A956 WeakPolarHBondContact O-CB 3.37Å; T952-A956 PolarHBondContact O-N 3.25Å; T952-W960 HydrophobicContact CG2-CH2 4.15Å; T952-W960 HydrophobicContact CG2-CZ2 4.47Å |
| 953 | L | 62.1 | Low | 62.9 | Low | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | -179.2 | -74.1 | 174.6 | 0 | 0 | 0 | 112.5 | L851 Y855 L920 V949 L950 T955 A957 W960 | L851-L953 HydrophobicContact CB-CD2 4.48Å; L851-L953 HydrophobicContact CD1-CD2 4.11Å; L851-L953 HydrophobicContact CD1-CG 4.37Å; L851-L953 HydrophobicContact CD2-CD2 4.47Å; Y855-L953 HydrophobicContact CD2-CD2 4.33Å; Y855-L953 HydrophobicContact CE2-CD2 3.41Å; Y855-L953 VanDerWaalsContact CE2-CD2 3.41Å; L920-L953 HydrophobicContact CD1-CD1 3.74Å; V949-L953 HydrophobicContact CG1-CD1 3.85Å; V949-L953 HydrophobicContact CG1-CG 4.33Å; V949-L953 WeakPolarHBondContact O-CB 3.26Å; V949-L953 VanDerWaalsContact O-CG 3.26Å; V949-L953 WeakPolarHBondContact O-CG 3.31Å; V949-L953 PolarHBondContact O-N 3.39Å; L950-L953 PolarHBondContact O-N 3.12Å; L953-T955 VanDerWaalsContact C-N 3.27Å; L953-T955 PolarHBondContact O-N 3.1Å; L953-A957 WeakPolarHBondContact O-CB 3.34Å; L953-A957 PolarHBondContact O-N 3.47Å; L953-W960 HydrophobicContact CD2-CZ3 4.26Å |
| 954 | T | 54.9 | Low | 64.5 | Low | 62 Ų | 62 | 38.6 Ų | 38.6 | 38% | 0.38 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.6 | -28.2 | -179.8 | 49.8 | 0 | 0 | 0 | 0 | 114.6 | I917 L950 T951 T952 | I917-T954 HydrophobicContact CD1-CG2 3.26Å; I917-T954 HydrophobicContact CG1-CG2 3.7Å; L950-T954 PolarHBondContact O-N 3.36Å; L950-T954 VanDerWaalsContact O-N 3.07Å; L950-T954 PolarHBondContact O-OG1 3.01Å; T951-T954 PolarHBondContact O-N 3.08Å; T951-T954 PolarHBondContact O-OG1 3.41Å; T952-T954 PolarHBondContact O-N 3.22Å |
| 955 | T | 56.7 | Low | 65.7 | Low | 89 Ų | 89 | 34.3 Ų | 34.3 | 55% | 0.546 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -96.5 | -40.1 | -174.7 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | T951 T952 L953 I959 | T951-T955 WeakPolarHBondContact O-CG2 3.39Å; T951-T955 PolarHBondContact O-N 2.91Å; T951-T955 PolarHBondContact O-OG1 3.42Å; T952-T955 PolarHBondContact O-N 3.39Å; T952-T955 PolarHBondContact O-OG1 3.03Å; L953-T955 VanDerWaalsContact C-N 3.27Å; L953-T955 PolarHBondContact O-N 3.1Å; T955-I959 WeakPolarHBondContact O-CD1 3.4Å |
| 956 | A | 68.3 | Low | 66.8 | Low | 17 Ų | 17 | 32.7 Ų | 32.7 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -98.3 | -30.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T952 I959 W960 | T952-A956 VanDerWaalsContact O-CB 3.26Å; T952-A956 WeakPolarHBondContact O-CB 3.37Å; T952-A956 PolarHBondContact O-N 3.25Å; A956-I959 WeakPolarHBondContact O-CA 3.34Å; A956-I959 WeakPolarHBondContact O-CB 3.48Å; A956-I959 PolarHBondContact O-N 3.31Å; A956-W960 HydrophobicContact CB-CD2 4.21Å; A956-W960 HydrophobicContact CB-CH2 3.8Å; A956-W960 HydrophobicContact CB-CZ2 3.27Å; A956-W960 HydrophobicContact CB-CZ3 4.45Å; A956-W960 PolarHBondContact O-N 2.89Å |
| 957 | A | 69.2 | Low | 67.8 | Low | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y855 L953 I959 W960 I961 | Y855-A957 HydrophobicContact CD1-CB 4.01Å; Y855-A957 HydrophobicContact CE1-CB 3.8Å; L953-A957 WeakPolarHBondContact O-CB 3.34Å; L953-A957 PolarHBondContact O-N 3.47Å; A957-I959 PolarHBondContact O-N 3.07Å; A957-W960 HydrophobicContact CB-CE3 4.13Å; A957-W960 HydrophobicContact CB-CZ3 4.31Å; A957-W960 PolarHBondContact O-N 2.62Å; A957-I961 WeakPolarHBondContact O-CD1 3.26Å; A957-I961 WeakPolarHBondContact O-CG1 3Å; A957-I961 PolarHBondContact O-N 3.3Å; A957-I961 VanDerWaalsContact O-N 3.16Å |
| 958 | P | 65.4 | Low | 68.3 | Low | 16 Ų | 16 | 28.8 Ų | 28.8 | 10% | 0.104 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -32.7 | 175.6 | -20.9 | 32.8 | 0 | 0 | 0 | 113.1 | A962 | P958-A962 VanDerWaalsContact O-CB 3.32Å; P958-A962 WeakPolarHBondContact O-CB 3.37Å; P958-A962 PolarHBondContact O-N 2.96Å |
| 959 | I | 76.7 | Confident | 68.4 | Low | 48 Ų | 48 | 30.5 Ų | 30.5 | 25% | 0.246 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.5 | -51 | 179.1 | -56.3 | 169.3 | 0 | 0 | 0 | 109.6 | T955 A956 A957 I961 A962 D963 H1066 | T955-I959 WeakPolarHBondContact O-CD1 3.4Å; A956-I959 WeakPolarHBondContact O-CA 3.34Å; A956-I959 WeakPolarHBondContact O-CB 3.48Å; A956-I959 PolarHBondContact O-N 3.31Å; A957-I959 PolarHBondContact O-N 3.07Å; I959-I961 PolarHBondContact O-N 3.32Å; I959-A962 WeakPolarHBondContact O-CB 3.4Å; I959-A962 PolarHBondContact O-N 3.44Å; I959-A962 VanDerWaalsContact O-N 3.08Å; I959-D963 PolarHBondContact O-N 3.38Å; I959-H1066 HydrophobicContact CB-CB 4.46Å; I959-H1066 HydrophobicContact CG1-CB 4.04Å |
| 960 | W | 81.2 | Confident | 68.6 | Low | 16 Ų | 16 | 30.2 Ų | 30.2 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.4 | -37.4 | 178.9 | -56.2 | -33.5 | 0 | 0 | 0 | 113.2 | I848 L851 E852 Y855 K856 T952 L953 A956 A957 V964 | I848-W960 HydrophobicContact CG2-CZ2 3.92Å; L851-W960 HydrophobicContact CB-CH2 4.17Å; L851-W960 HydrophobicContact CB-CZ3 4.18Å; E852-W960 HydrophobicContact CB-CD2 3.83Å; E852-W960 HydrophobicContact CB-CE3 4.19Å; E852-W960 HydrophobicContact CB-CG 4.23Å; E852-W960 HydrophobicContact CB-CH2 4.38Å; E852-W960 HydrophobicContact CB-CZ2 4.01Å; E852-W960 HydrophobicContact CB-CZ3 4.46Å; E852-W960 HydrophobicContact CG-CB 4.34Å; E852-W960 HydrophobicContact CG-CD2 3.9Å; E852-W960 HydrophobicContact CG-CG 3.74Å; E852-W960 PolarHBondContact OE2-NE1 3.26Å; Y855-W960 HydrophobicContact CD2-CE3 4.38Å; Y855-W960 HydrophobicContact CD2-CZ3 4.25Å; Y855-W960 HydrophobicContact CG-CE3 4.29Å; K856-W960 HydrophobicContact CG-CB 4.32Å; T952-W960 HydrophobicContact CG2-CH2 4.15Å; T952-W960 HydrophobicContact CG2-CZ2 4.47Å; L953-W960 HydrophobicContact CD2-CZ3 4.26Å; A956-W960 HydrophobicContact CB-CD2 4.21Å; A956-W960 HydrophobicContact CB-CH2 3.8Å; A956-W960 HydrophobicContact CB-CZ2 3.27Å; A956-W960 HydrophobicContact CB-CZ3 4.45Å; A956-W960 PolarHBondContact O-N 2.89Å; A957-W960 HydrophobicContact CB-CE3 4.13Å; A957-W960 HydrophobicContact CB-CZ3 4.31Å; A957-W960 PolarHBondContact O-N 2.62Å; W960-V964 WeakPolarHBondContact O-CG2 3.16Å; W960-V964 PolarHBondContact O-N 2.9Å |
| 961 | I | 79.8 | Confident | 69.3 | Low | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.9 | -42.1 | 178.1 | -59.6 | 154 | 0 | 0 | 0 | 110.7 | Y855 A859 L909 L912 T913 A957 I959 D963 V964 V965 | Y855-I961 HydrophobicContact CD1-CD1 4.33Å; A859-I961 HydrophobicContact CB-CG2 4.39Å; L909-I961 HydrophobicContact CD2-CG2 4.33Å; L912-I961 HydrophobicContact CB-CD1 3.31Å; L912-I961 HydrophobicContact CB-CG1 4.06Å; L912-I961 WeakPolarHBondContact O-CD1 3.43Å; T913-I961 HydrophobicContact CG2-CB 4.09Å; T913-I961 HydrophobicContact CG2-CD1 3.83Å; T913-I961 HydrophobicContact CG2-CG2 3.7Å; T913-I961 VanDerWaalsContact N-CD1 3.34Å; A957-I961 WeakPolarHBondContact O-CD1 3.26Å; A957-I961 WeakPolarHBondContact O-CG1 3Å; A957-I961 PolarHBondContact O-N 3.3Å; A957-I961 VanDerWaalsContact O-N 3.16Å; I959-I961 PolarHBondContact O-N 3.32Å; I961-D963 PolarHBondContact O-N 2.96Å; I961-V964 PolarHBondContact O-N 3.13Å; I961-V965 HydrophobicContact CG2-CG2 4.25Å; I961-V965 WeakPolarHBondContact O-CB 3.49Å; I961-V965 VanDerWaalsContact O-CG2 3.27Å; I961-V965 WeakPolarHBondContact O-CG2 3.45Å; I961-V965 PolarHBondContact O-N 2.9Å |
| 962 | A | 75.8 | Confident | 69.8 | Low | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P958 I959 V965 A966 H1066 | P958-A962 VanDerWaalsContact O-CB 3.32Å; P958-A962 WeakPolarHBondContact O-CB 3.37Å; P958-A962 PolarHBondContact O-N 2.96Å; I959-A962 WeakPolarHBondContact O-CB 3.4Å; I959-A962 PolarHBondContact O-N 3.44Å; I959-A962 VanDerWaalsContact O-N 3.08Å; A962-V965 PolarHBondContact O-N 3.01Å; A962-A966 WeakPolarHBondContact O-CB 3.38Å; A962-A966 PolarHBondContact O-N 3.39Å; A962-H1066 HydrophobicContact CB-CB 3.83Å |
| 963 | D | 79 | Confident | 70 | Confident | 37 Ų | 37 | 28 Ų | 28 | 20% | 0.198 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 176.5 | -70.1 | -23.2 | 0 | 0 | 0 | 112.5 | I959 I961 A966 M967 | I959-D963 PolarHBondContact O-N 3.38Å; I961-D963 PolarHBondContact O-N 2.96Å; D963-A966 PolarHBondContact O-N 3.22Å; D963-M967 WeakPolarHBondContact O-CG 3.08Å; D963-M967 PolarHBondContact O-N 3.36Å |
| 964 | V | 80.7 | Confident | 70.4 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L806 K856 A859 L860 W960 I961 A966 M967 | L806-V964 HydrophobicContact CD2-CG2 3.94Å; K856-V964 HydrophobicContact CB-CG2 3.75Å; K856-V964 HydrophobicContact CD-CG2 3.98Å; K856-V964 HydrophobicContact CG-CG2 3.53Å; A859-V964 HydrophobicContact CB-CB 4.48Å; A859-V964 HydrophobicContact CB-CG1 4.2Å; L860-V964 HydrophobicContact CD2-CG1 3.78Å; L860-V964 HydrophobicContact CG-CG1 3.89Å; W960-V964 WeakPolarHBondContact O-CG2 3.16Å; W960-V964 PolarHBondContact O-N 2.9Å; I961-V964 PolarHBondContact O-N 3.13Å; V964-A966 VanDerWaalsContact C-N 3.28Å; V964-A966 PolarHBondContact O-N 3.26Å; V964-M967 PolarHBondContact O-N 2.81Å |
| 965 | V | 77.2 | Confident | 71.3 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.6 | -32 | 178.9 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | L863 L909 I961 A962 M967 F971 L974 V1063 | L863-V965 HydrophobicContact CD1-CG2 4.27Å; L909-V965 HydrophobicContact CD2-CG2 4.05Å; I961-V965 HydrophobicContact CG2-CG2 4.25Å; I961-V965 WeakPolarHBondContact O-CB 3.49Å; I961-V965 VanDerWaalsContact O-CG2 3.27Å; I961-V965 WeakPolarHBondContact O-CG2 3.45Å; I961-V965 PolarHBondContact O-N 2.9Å; A962-V965 PolarHBondContact O-N 3.01Å; V965-M967 VanDerWaalsContact C-N 3.29Å; V965-M967 PolarHBondContact O-N 2.74Å; V965-F971 HydrophobicContact CG1-CD2 4.16Å; V965-F971 HydrophobicContact CG1-CE2 4.4Å; V965-F971 WeakPolarHBondContact O-CD2 3.42Å; V965-L974 HydrophobicContact CG1-CD2 3.34Å; V965-V1063 HydrophobicContact CB-CG2 4.12Å; V965-V1063 HydrophobicContact CG1-CG2 3.6Å |
| 966 | A | 73.4 | Confident | 72.1 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A962 D963 V964 S1067 Y1072 | A962-A966 WeakPolarHBondContact O-CB 3.38Å; A962-A966 PolarHBondContact O-N 3.39Å; D963-A966 PolarHBondContact O-N 3.22Å; V964-A966 VanDerWaalsContact C-N 3.28Å; V964-A966 PolarHBondContact O-N 3.26Å; A966-S1067 VanDerWaalsContact CB-OG 3.27Å; A966-S1067 WeakPolarHBondContact CB-OG 3.05Å; A966-Y1072 HydrophobicContact CB-CD1 3.68Å; A966-Y1072 HydrophobicContact CB-CD2 4.29Å; A966-Y1072 HydrophobicContact CB-CE1 3.75Å; A966-Y1072 HydrophobicContact CB-CE2 4.33Å; A966-Y1072 HydrophobicContact CB-CG 3.97Å; A966-Y1072 WeakPolarHBondContact O-CD2 3.26Å |
| 967 | M | 75.4 | Confident | 72.2 | Confident | 28 Ų | 28 | 21.8 Ų | 21.8 | 14% | 0.138 | 12% | 0.123 | C | C | . | . | trans | -73.4 | 128.9 | 175.1 | -70.7 | -170.6 | 146.2 | 0 | 0 | 111.2 | C801 S803 D963 V964 V965 D969 Y970 F971 | C801-M967 VanDerWaalsContact O-CE 3.3Å; C801-M967 WeakPolarHBondContact O-CE 3.46Å; S803-M967 VanDerWaalsContact CB-SD 3.58Å; D963-M967 WeakPolarHBondContact O-CG 3.08Å; D963-M967 PolarHBondContact O-N 3.36Å; V964-M967 PolarHBondContact O-N 2.81Å; V965-M967 VanDerWaalsContact C-N 3.29Å; V965-M967 PolarHBondContact O-N 2.74Å; M967-D969 PolarHBondContact O-N 3.06Å; M967-D969 VanDerWaalsContact O-N 3.12Å; M967-Y970 HydrophobicContact CB-CD2 3.61Å; M967-Y970 HydrophobicContact CB-CE2 3.78Å; M967-Y970 HydrophobicContact CG-CE2 4.4Å; M967-Y970 PolarHBondContact O-N 3.45Å; M967-Y970 VanDerWaalsContact O-N 3.09Å; M967-Y970 HydrophobicContact SD-CD2 4.48Å; M967-Y970 HydrophobicContact SD-CE2 3.83Å; M967-F971 PolarHBondContact O-N 2.96Å | ||
| 968 | D | 64.1 | Low | 72.3 | Confident | 67 Ų | 67 | 22.1 Ų | 22.1 | 36% | 0.358 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -32.9 | -172.6 | -86.9 | -10.8 | 0 | 0 | 0 | 113.3 | Y970 R1075 | D968-Y970 VanDerWaalsContact C-N 3.25Å; D968-Y970 PolarHBondContact O-N 3.45Å; D968-R1075 IonicContact OD2-NH1 3.13Å; D968-R1075 PolarHBondContact OD2-NH1 3.09Å |
| 969 | D | 63.5 | Low | 72.6 | Confident | 107 Ų | 107 | 23.5 Ų | 23.5 | 57% | 0.572 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -20.4 | -176.6 | -62.7 | -37.5 | 0 | 0 | 0 | 113.2 | S803 M967 | S803-D969 PolarHBondContact OG-OD2 2.65Å; M967-D969 PolarHBondContact O-N 3.06Å; M967-D969 VanDerWaalsContact O-N 3.12Å |
| 970 | Y | 65.2 | Low | 72.3 | Confident | 8 Ų | 8 | 21.2 Ų | 21.2 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -17.9 | -168.1 | -43.2 | -51.5 | 0 | 0 | 0 | 114.9 | I314 S803 L807 L860 L863 I867 M967 D968 P973 | I314-Y970 HydrophobicContact CD1-CD1 4.3Å; I314-Y970 HydrophobicContact CD1-CE1 4.33Å; I314-Y970 HydrophobicContact CG1-CD1 4.48Å; I314-Y970 HydrophobicContact CG1-CE1 4.5Å; I314-Y970 HydrophobicContact CG2-CE1 4.26Å; S803-Y970 PolarHBondContact O-OH 3.06Å; L807-Y970 HydrophobicContact CD1-CE1 4.1Å; L807-Y970 WeakPolarHBondContact CD1-OH 2.91Å; L807-Y970 HydrophobicContact CD2-CE1 4.42Å; L807-Y970 WeakPolarHBondContact CG-OH 3.5Å; L860-Y970 HydrophobicContact CD2-CD2 4.23Å; L860-Y970 HydrophobicContact CD2-CE2 4Å; L863-Y970 VanDerWaalsContact CD2-CB 3.46Å; L863-Y970 HydrophobicContact CD2-CG 4.2Å; I867-Y970 HydrophobicContact CD1-CD1 4.43Å; M967-Y970 HydrophobicContact CB-CD2 3.61Å; M967-Y970 HydrophobicContact CB-CE2 3.78Å; M967-Y970 HydrophobicContact CG-CE2 4.4Å; M967-Y970 PolarHBondContact O-N 3.45Å; M967-Y970 VanDerWaalsContact O-N 3.09Å; M967-Y970 HydrophobicContact SD-CD2 4.48Å; M967-Y970 HydrophobicContact SD-CE2 3.83Å; D968-Y970 VanDerWaalsContact C-N 3.25Å; D968-Y970 PolarHBondContact O-N 3.45Å; Y970-P973 WeakPolarHBondContact O-CD 3.24Å |
| 971 | F | 69.7 | Low | 71.7 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -76 | -29.7 | -168.1 | -177 | -113 | 0 | 0 | 0 | 114.6 | V965 M967 L974 L975 I978 Y1072 Y1076 L1080 | V965-F971 HydrophobicContact CG1-CD2 4.16Å; V965-F971 HydrophobicContact CG1-CE2 4.4Å; V965-F971 WeakPolarHBondContact O-CD2 3.42Å; M967-F971 PolarHBondContact O-N 2.96Å; F971-L974 HydrophobicContact CD2-CB 4.22Å; F971-L974 HydrophobicContact CD2-CD2 4.09Å; F971-L974 HydrophobicContact CE2-CB 4.35Å; F971-L974 HydrophobicContact CE2-CD2 3.94Å; F971-L974 HydrophobicContact CE2-CG 4.35Å; F971-L974 PolarHBondContact O-N 3.46Å; F971-L975 HydrophobicContact CD1-CB 4.13Å; F971-L975 HydrophobicContact CE1-CB 3.69Å; F971-L975 HydrophobicContact CE1-CD1 3.8Å; F971-L975 HydrophobicContact CE1-CD2 4.04Å; F971-L975 HydrophobicContact CE1-CG 4.04Å; F971-L975 HydrophobicContact CZ-CB 3.95Å; F971-L975 HydrophobicContact CZ-CD1 3.92Å; F971-L975 HydrophobicContact CZ-CG 4.45Å; F971-L975 PolarHBondContact O-N 3.19Å; F971-I978 HydrophobicContact CE2-CD1 4.26Å; F971-I978 HydrophobicContact CZ-CD1 4.31Å; F971-Y1072 HydrophobicContact CB-CE2 3.83Å; F971-Y1072 AromaticContact CD1-CE2 3.46Å; F971-Y1072 HydrophobicContact CD1-CE2 3.46Å; F971-Y1072 VanDerWaalsContact CD1-CE2 3.46Å; F971-Y1072 AromaticContact CD1-CZ 3.67Å; F971-Y1072 WeakPolarHBondContact CD1-OH 3.44Å; F971-Y1072 HydrophobicContact CD2-CE2 4.18Å; F971-Y1072 AromaticContact CD2-CZ 3.93Å; F971-Y1072 WeakPolarHBondContact CD2-OH 3.31Å; F971-Y1072 HydrophobicContact CE1-CE2 4.06Å; F971-Y1072 AromaticContact CE1-CZ 3.82Å; F971-Y1072 WeakPolarHBondContact CE1-OH 3.33Å; F971-Y1072 WeakPolarHBondContact CE2-OH 3.37Å; F971-Y1072 AromaticContact CG-CE2 3.54Å; F971-Y1072 HydrophobicContact CG-CE2 3.54Å; F971-Y1072 AromaticContact CG-CZ 3.73Å; F971-Y1072 WeakPolarHBondContact CG-OH 3.39Å; F971-Y1072 WeakPolarHBondContact CZ-OH 3.33Å; F971-Y1076 HydrophobicContact CD1-CD1 4.08Å; F971-Y1076 HydrophobicContact CD1-CD2 4.07Å; F971-Y1076 HydrophobicContact CD1-CE1 4.29Å; F971-Y1076 HydrophobicContact CD1-CE2 4.27Å; F971-Y1076 AromaticContact CD1-CG 3.95Å; F971-Y1076 HydrophobicContact CD1-CG 3.95Å; F971-Y1076 AromaticContact CE1-CD1 3.91Å; F971-Y1076 HydrophobicContact CE1-CD1 3.91Å; F971-Y1076 HydrophobicContact CE1-CD2 4.36Å; F971-Y1076 AromaticContact CE1-CG 3.81Å; F971-Y1076 HydrophobicContact CE1-CG 3.81Å; F971-L1080 HydrophobicContact CZ-CD1 3.91Å; F971-L1080 HydrophobicContact CZ-CD2 3.79Å; F971-L1080 HydrophobicContact CZ-CG 4.09Å |
| 972 | A | 67.3 | Low | 70.9 | Confident | 56 Ų | 56 | 22.5 Ų | 22.5 | 46% | 0.463 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -57 | -42.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L975 M976 | A972-L975 PolarHBondContact O-N 3.44Å; A972-M976 PolarHBondContact O-N 3.27Å |
| 973 | P | 64.2 | Low | 70.1 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.9 | -47 | 167.8 | -37.5 | 44.8 | 0 | 0 | 0 | 115.2 | I867 T870 Y970 L975 M976 I977 | I867-P973 HydrophobicContact CB-CB 4.38Å; I867-P973 HydrophobicContact CB-CG 4.31Å; I867-P973 HydrophobicContact CG1-CB 3.87Å; I867-P973 HydrophobicContact CG1-CG 3.85Å; I867-P973 HydrophobicContact CG2-CG 4.12Å; T870-P973 HydrophobicContact CG2-CB 4.3Å; T870-P973 WeakPolarHBondContact CG2-O 3.43Å; T870-P973 WeakPolarHBondContact OG1-CB 3.28Å; Y970-P973 WeakPolarHBondContact O-CD 3.24Å; P973-L975 VanDerWaalsContact C-N 3.33Å; P973-L975 PolarHBondContact O-N 3.36Å; P973-M976 WeakPolarHBondContact O-CB 3.41Å; P973-M976 PolarHBondContact O-N 3.48Å; P973-I977 PolarHBondContact O-N 2.86Å |
| 974 | L | 70.2 | Confident | 68.8 | Low | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 178.2 | -174.6 | 68.4 | 0 | 0 | 0 | 110.3 | L866 L906 V965 F971 M976 I977 I978 | L866-L974 HydrophobicContact CD1-CD1 3.77Å; L906-L974 HydrophobicContact CD2-CD1 4.46Å; V965-L974 HydrophobicContact CG1-CD2 3.34Å; F971-L974 HydrophobicContact CD2-CB 4.22Å; F971-L974 HydrophobicContact CD2-CD2 4.09Å; F971-L974 HydrophobicContact CE2-CB 4.35Å; F971-L974 HydrophobicContact CE2-CD2 3.94Å; F971-L974 HydrophobicContact CE2-CG 4.35Å; F971-L974 PolarHBondContact O-N 3.46Å; L974-M976 VanDerWaalsContact C-N 3.31Å; L974-M976 PolarHBondContact O-N 3.24Å; L974-I977 WeakPolarHBondContact O-CB 3.49Å; L974-I977 PolarHBondContact O-N 2.96Å; L974-I977 VanDerWaalsContact O-N 3.09Å; L974-I978 HydrophobicContact CD2-CD1 4.35Å; L974-I978 HydrophobicContact CG-CD1 3.88Å; L974-I978 HydrophobicContact CG-CG1 4.37Å; L974-I978 WeakPolarHBondContact O-CG1 3.34Å; L974-I978 PolarHBondContact O-N 2.91Å |
| 975 | L | 73.8 | Confident | 67.1 | Low | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 175.2 | -173.9 | 63.3 | 0 | 0 | 0 | 112.1 | F971 A972 P973 I977 I978 E979 Y1076 L1080 L1083 | F971-L975 HydrophobicContact CD1-CB 4.13Å; F971-L975 HydrophobicContact CE1-CB 3.69Å; F971-L975 HydrophobicContact CE1-CD1 3.8Å; F971-L975 HydrophobicContact CE1-CD2 4.04Å; F971-L975 HydrophobicContact CE1-CG 4.04Å; F971-L975 HydrophobicContact CZ-CB 3.95Å; F971-L975 HydrophobicContact CZ-CD1 3.92Å; F971-L975 HydrophobicContact CZ-CG 4.45Å; F971-L975 PolarHBondContact O-N 3.19Å; A972-L975 PolarHBondContact O-N 3.44Å; P973-L975 VanDerWaalsContact C-N 3.33Å; P973-L975 PolarHBondContact O-N 3.36Å; L975-I977 VanDerWaalsContact C-N 3.31Å; L975-I977 PolarHBondContact O-N 2.72Å; L975-I978 PolarHBondContact O-N 3.29Å; L975-E979 HydrophobicContact CD1-CG 4.31Å; L975-E979 HydrophobicContact CG-CG 4.37Å; L975-E979 WeakPolarHBondContact O-CB 3.44Å; L975-E979 WeakPolarHBondContact O-CG 3.38Å; L975-E979 PolarHBondContact O-N 3.28Å; L975-Y1076 HydrophobicContact CD2-CD1 3.77Å; L975-Y1076 HydrophobicContact CD2-CE1 3.89Å; L975-L1080 HydrophobicContact CD1-CD2 4.34Å; L975-L1083 HydrophobicContact CD1-CD1 4.41Å |
| 976 | M | 73.4 | Confident | 65.2 | Low | 33 Ų | 33 | 35 Ų | 35 | 16% | 0.163 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.2 | -39.5 | 174.8 | 171.1 | -179.6 | -27.1 | 0 | 0 | 112.5 | M875 V878 A972 P973 L974 A980 | M875-M976 HydrophobicContact CB-SD 4.49Å; M875-M976 HydrophobicContact CE-CB 4.36Å; M875-M976 HydrophobicContact CE-CG 3.8Å; M875-M976 HydrophobicContact CG-CE 4.21Å; M875-M976 HydrophobicContact CG-SD 4.08Å; M875-M976 HydrophobicContact SD-CB 3.88Å; M875-M976 HydrophobicContact SD-CE 3.38Å; M875-M976 WeakPolarHBondContact SD-CE 3.35Å; M875-M976 HydrophobicContact SD-CG 3.29Å; M875-M976 WeakPolarHBondContact SD-CG 3.27Å; M875-M976 HydrophobicContact SD-SD 3.37Å; V878-M976 HydrophobicContact CG1-CG 4.49Å; V878-M976 HydrophobicContact CG2-CG 4.47Å; V878-M976 HydrophobicContact CG2-SD 4.06Å; A972-M976 PolarHBondContact O-N 3.27Å; P973-M976 WeakPolarHBondContact O-CB 3.41Å; P973-M976 PolarHBondContact O-N 3.48Å; L974-M976 VanDerWaalsContact C-N 3.31Å; L974-M976 PolarHBondContact O-N 3.24Å; M976-A980 WeakPolarHBondContact O-CB 3.43Å; M976-A980 PolarHBondContact O-N 2.96Å |
| 977 | I | 71.9 | Confident | 63.5 | Low | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -47.9 | 174.3 | -61.6 | 177.9 | 0 | 0 | 0 | 110.1 | L866 W869 T870 P973 L974 L975 E979 A980 F981 | L866-I977 HydrophobicContact CB-CD1 4.18Å; L866-I977 HydrophobicContact CD1-CD1 4.46Å; L866-I977 HydrophobicContact CD2-CD1 3.83Å; L866-I977 HydrophobicContact CG-CD1 4.38Å; W869-I977 HydrophobicContact CE3-CD1 4.25Å; W869-I977 HydrophobicContact CZ3-CD1 4.37Å; W869-I977 HydrophobicContact CZ3-CG1 4.23Å; T870-I977 HydrophobicContact CG2-CD1 3.52Å; T870-I977 HydrophobicContact CG2-CG1 3.35Å; P973-I977 PolarHBondContact O-N 2.86Å; L974-I977 WeakPolarHBondContact O-CB 3.49Å; L974-I977 PolarHBondContact O-N 2.96Å; L974-I977 VanDerWaalsContact O-N 3.09Å; L975-I977 VanDerWaalsContact C-N 3.31Å; L975-I977 PolarHBondContact O-N 2.72Å; I977-E979 PolarHBondContact O-N 3.22Å; I977-A980 PolarHBondContact O-N 3.44Å; I977-F981 HydrophobicContact CG2-CD2 3.82Å; I977-F981 HydrophobicContact CG2-CE2 3.62Å; I977-F981 VanDerWaalsContact O-CD2 3.23Å; I977-F981 WeakPolarHBondContact O-CD2 3.44Å; I977-F981 PolarHBondContact O-N 2.66Å; I977-F981 VanDerWaalsContact O-N 3.15Å |
| 978 | I | 71.4 | Confident | 61.7 | Low | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | -177.3 | -58 | 161.7 | 0 | 0 | 0 | 110.6 | F971 L974 L975 A980 F981 S982 V1056 V1060 L1080 L1083 | F971-I978 HydrophobicContact CE2-CD1 4.26Å; F971-I978 HydrophobicContact CZ-CD1 4.31Å; L974-I978 HydrophobicContact CD2-CD1 4.35Å; L974-I978 HydrophobicContact CG-CD1 3.88Å; L974-I978 HydrophobicContact CG-CG1 4.37Å; L974-I978 WeakPolarHBondContact O-CG1 3.34Å; L974-I978 PolarHBondContact O-N 2.91Å; L975-I978 PolarHBondContact O-N 3.29Å; I978-A980 VanDerWaalsContact C-N 3.32Å; I978-A980 PolarHBondContact O-N 3.04Å; I978-F981 PolarHBondContact O-N 3.08Å; I978-S982 PolarHBondContact O-N 2.82Å; I978-S982 VanDerWaalsContact O-N 3.16Å; I978-V1056 HydrophobicContact CB-CG1 4.14Å; I978-V1056 HydrophobicContact CG1-CG1 3.92Å; I978-V1056 HydrophobicContact CG2-CG1 3.78Å; I978-V1060 HydrophobicContact CD1-CG2 3.95Å; I978-V1060 HydrophobicContact CG1-CG2 4.25Å; I978-V1060 HydrophobicContact CG2-CG2 3.69Å; I978-L1080 HydrophobicContact CD1-CD2 3.91Å; I978-L1083 HydrophobicContact CB-CD1 4.24Å; I978-L1083 HydrophobicContact CG2-CB 4.17Å; I978-L1083 HydrophobicContact CG2-CD1 3.36Å; I978-L1083 HydrophobicContact CG2-CG 4.2Å |
| 979 | E | 71.7 | Confident | 60.1 | Low | 44 Ų | 44 | 49.2 Ų | 49.2 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.7 | -76.1 | -179 | 169.1 | 0 | 0 | 111.3 | L975 I977 F981 S982 E983 R1079 L1083 | L975-E979 HydrophobicContact CD1-CG 4.31Å; L975-E979 HydrophobicContact CG-CG 4.37Å; L975-E979 WeakPolarHBondContact O-CB 3.44Å; L975-E979 WeakPolarHBondContact O-CG 3.38Å; L975-E979 PolarHBondContact O-N 3.28Å; I977-E979 PolarHBondContact O-N 3.22Å; E979-F981 VanDerWaalsContact C-N 3.31Å; E979-F981 PolarHBondContact O-N 2.87Å; E979-S982 PolarHBondContact O-N 2.75Å; E979-S982 PolarHBondContact O-OG 2.86Å; E979-E983 PolarHBondContact O-N 3.48Å; E979-E983 VanDerWaalsContact O-N 3.08Å; E979-R1079 IonicContact OE1-NE 3.28Å; E979-L1083 HydrophobicContact CG-CD2 4.34Å |
| 980 | A | 70.6 | Confident | 58.5 | Low | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -28.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V878 Y879 I882 M976 I977 I978 | V878-A980 HydrophobicContact CG1-CB 3.94Å; Y879-A980 HydrophobicContact CD1-CB 3.64Å; Y879-A980 VanDerWaalsContact CE1-CA 3.42Å; Y879-A980 HydrophobicContact CE1-CB 3.64Å; Y879-A980 HydrophobicContact CG-CB 4.18Å; I882-A980 HydrophobicContact CD1-CB 3.42Å; I882-A980 VanDerWaalsContact CD1-CB 3.42Å; M976-A980 WeakPolarHBondContact O-CB 3.43Å; M976-A980 PolarHBondContact O-N 2.96Å; I977-A980 PolarHBondContact O-N 3.44Å; I978-A980 VanDerWaalsContact C-N 3.32Å; I978-A980 PolarHBondContact O-N 3.04Å |
| 981 | F | 67.1 | Low | 56.7 | Low | 17 Ų | 17 | 57 Ų | 57 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.4 | -30.6 | 169 | -81.1 | -71.9 | 0 | 0 | 0 | 112.8 | I882 I977 I978 E979 L1052 V1056 | I882-F981 HydrophobicContact CD1-CD2 3.98Å; I882-F981 HydrophobicContact CD1-CE1 4.49Å; I882-F981 HydrophobicContact CD1-CE2 3.8Å; I882-F981 HydrophobicContact CD1-CG 4.4Å; I882-F981 HydrophobicContact CD1-CZ 4.05Å; I882-F981 HydrophobicContact CG1-CE1 4.35Å; I882-F981 HydrophobicContact CG1-CE2 4.28Å; I882-F981 HydrophobicContact CG1-CZ 4.02Å; I882-F981 HydrophobicContact CG2-CD1 3.99Å; I882-F981 HydrophobicContact CG2-CE1 3.9Å; I882-F981 HydrophobicContact CG2-CZ 4.42Å; I977-F981 HydrophobicContact CG2-CD2 3.82Å; I977-F981 HydrophobicContact CG2-CE2 3.62Å; I977-F981 VanDerWaalsContact O-CD2 3.23Å; I977-F981 WeakPolarHBondContact O-CD2 3.44Å; I977-F981 PolarHBondContact O-N 2.66Å; I977-F981 VanDerWaalsContact O-N 3.15Å; I978-F981 PolarHBondContact O-N 3.08Å; E979-F981 VanDerWaalsContact C-N 3.31Å; E979-F981 PolarHBondContact O-N 2.87Å; F981-L1052 HydrophobicContact CE1-CB 3.57Å; F981-L1052 HydrophobicContact CE1-CD2 4.49Å; F981-L1052 HydrophobicContact CE2-CB 4.29Å; F981-L1052 HydrophobicContact CZ-CB 3.43Å; F981-L1052 VanDerWaalsContact CZ-CB 3.43Å; F981-L1052 HydrophobicContact CZ-CD2 3.71Å; F981-L1052 HydrophobicContact CZ-CG 4.18Å; F981-V1056 HydrophobicContact CD2-CG2 3.73Å; F981-V1056 HydrophobicContact CE2-CG2 4.02Å; F981-V1056 HydrophobicContact CG-CG2 4.38Å |
| 982 | S | 62.9 | Low | 54.5 | Low | 28 Ų | 28 | 59.6 Ų | 59.6 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79 | -39.2 | -176.3 | 76.8 | 0 | 0 | 0 | 0 | 115.1 | I978 E979 Q984 D985 L1083 | I978-S982 PolarHBondContact O-N 2.82Å; I978-S982 VanDerWaalsContact O-N 3.16Å; E979-S982 PolarHBondContact O-N 2.75Å; E979-S982 PolarHBondContact O-OG 2.86Å; S982-Q984 PolarHBondContact O-N 3.21Å; S982-D985 PolarHBondContact O-N 2.7Å; S982-L1083 WeakPolarHBondContact OG-CD2 2.98Å |
| 983 | E | 58.7 | Low | 52.3 | Low | 104 Ų | 104 | 64.5 Ų | 64.5 | 49% | 0.486 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68 | -22.9 | -172.8 | -79.6 | -173.5 | 147.1 | 0 | 0 | 112.7 | Y879 E979 | Y879-E983 HydrophobicContact CE1-CB 4.4Å; Y879-E983 WeakPolarHBondContact CE1-OE2 3.28Å; Y879-E983 PolarHBondContact OH-OE2 3.07Å; E979-E983 PolarHBondContact O-N 3.48Å; E979-E983 VanDerWaalsContact O-N 3.08Å |
| 984 | Q | 51.9 | Low | 50.3 | Low | 33 Ų | 33 | 69.3 Ų | 69.3 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -79.4 | -25.1 | 177.6 | -74.9 | -175.4 | 37.4 | 0 | 0 | 114.4 | S982 L986 D987 | S982-Q984 PolarHBondContact O-N 3.21Å; Q984-L986 PolarHBondContact O-N 2.95Å; Q984-D987 PolarHBondContact O-N 3.36Å |
| 985 | D | 45.7 | Very low | 48 | Very low | 63 Ų | 63 | 75.5 Ų | 75.5 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.2 | -16.6 | 174.6 | -87.3 | -28.5 | 0 | 0 | 0 | 111.9 | S982 N1053 | S982-D985 PolarHBondContact O-N 2.7Å; D985-N1053 PolarHBondContact OD2-ND2 3.47Å; D985-N1053 VanDerWaalsContact OD2-ND2 3.11Å |
| 986 | L | 38.3 | Very low | 45.6 | Very low | 103 Ų | 103 | 80.5 Ų | 80.5 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -79.4 | -38.2 | 172.9 | -73.7 | 164.7 | 0 | 0 | 0 | 112.6 | Q984 V988 K989 Y990 | Q984-L986 PolarHBondContact O-N 2.95Å; L986-V988 PolarHBondContact O-N 2.97Å; L986-K989 PolarHBondContact O-N 2.72Å; L986-Y990 WeakPolarHBondContact O-CD2 3.44Å |
| 987 | D | 37.3 | Very low | 43.1 | Very low | 120 Ų | 120 | 85.1 Ų | 85.1 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -73.2 | -28.4 | -174.3 | -86 | -17 | 0 | 0 | 0 | 113.6 | Q984 K989 Y990 A991 | Q984-D987 PolarHBondContact O-N 3.36Å; D987-K989 VanDerWaalsContact C-N 3.26Å; D987-K989 PolarHBondContact O-N 3.42Å; D987-Y990 PolarHBondContact O-N 2.93Å; D987-A991 PolarHBondContact O-N 2.89Å |
| 988 | V | 37.7 | Very low | 40.7 | Very low | 118 Ų | 118 | 94.1 Ų | 94.1 | 72% | 0.715 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.2 | -25.5 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | L986 | L986-V988 PolarHBondContact O-N 2.97Å |
| 989 | K | 29.4 | Very low | 38.4 | Very low | 158 Ų | 158 | 98.8 Ų | 98.8 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -84.2 | -23.4 | 179 | -78.1 | 177.9 | -179.5 | 165.6 | 0 | 114 | L986 D987 | L986-K989 PolarHBondContact O-N 2.72Å; D987-K989 VanDerWaalsContact C-N 3.26Å; D987-K989 PolarHBondContact O-N 3.42Å |
| 990 | Y | 30.3 | Very low | 36.1 | Very low | 185 Ų | 185 | 102.5 Ų | 102.5 | 73% | 0.725 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -99.8 | -10.7 | -179 | -71.6 | -72.5 | 0 | 0 | 0 | 115 | L986 D987 G992 | L986-Y990 WeakPolarHBondContact O-CD2 3.44Å; D987-Y990 PolarHBondContact O-N 2.93Å; Y990-G992 PolarHBondContact O-N 3.46Å; Y990-G992 VanDerWaalsContact O-N 3.11Å |
| 991 | A | 26.7 | Very low | 33.8 | Very low | 95 Ų | 95 | 107.9 Ų | 107.9 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -3.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D987 | D987-A991 PolarHBondContact O-N 2.89Š|
| 992 | G | 23.9 | Very low | 31.8 | Very low | 55 Ų | 55 | 117 Ų | 117 | 57% | 0.567 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 21.6 | -171 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y990 | Y990-G992 PolarHBondContact O-N 3.46Å; Y990-G992 VanDerWaalsContact O-N 3.11Å |
| 993 | N | 21.2 | Very low | 29.8 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 85% | 0.845 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -172.7 | 86.2 | 170.4 | -90.7 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 994 | S | 22.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | trans | 176.1 | 99.1 | 130.8 | 64.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 995 | T | 22.1 | Very low | 26.9 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | -56 | 126.6 | 136.7 | 50 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 996 | V | 22.9 | Very low | 25.8 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | 173.6 | 104.8 | 147.4 | 152.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 997 | N | 21.1 | Very low | 25 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | 64.5 | 137 | 127.8 | -65.3 | -27.8 | 0 | 0 | 0 | 122.6 | |||||
| 998 | K | 21.2 | Very low | 24.3 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | 75.9 | 117.6 | 151.6 | -66.1 | 159.4 | 179.3 | -176 | 0 | 112.9 | ||||
| 999 | S | 22 | Very low | 23.6 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | 173.2 | 149.2 | 67.3 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1000 | V | 24.8 | Very low | 23.3 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 83.3 | 89.4 | 139.3 | 177.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1001 | T | 21.6 | Very low | 23.1 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | 56.3 | 104.6 | 125.6 | 64.6 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1002 | K | 24.3 | Very low | 23.1 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | trans | -141.6 | 93.7 | 130.3 | -76.6 | -173.9 | 178.7 | 172.7 | 0 | 107.2 | ||||
| 1003 | N | 22.7 | Very low | 23.1 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | 45.4 | 80.2 | 105.5 | -81.9 | -7.5 | 0 | 0 | 0 | 115.1 | |||||
| 1004 | E | 27 | Very low | 23.2 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -130.5 | 142 | 146.4 | -81.6 | -166.3 | 155.1 | 0 | 0 | 110.9 | ||||
| 1005 | K | 22.9 | Very low | 23.1 | Very low | 212 Ų | 212 | 148 Ų | 148 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -82.1 | 127.4 | -160 | -78.6 | 168.5 | 173.1 | 169.2 | 0 | 112.9 | ||||
| 1006 | L | 21.1 | Very low | 23.2 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -4.5 | 121.6 | 141.8 | -134.1 | 85.2 | 0 | 0 | 0 | 118.4 | ||||
| 1007 | R | 21.1 | Very low | 23.2 | Very low | 243 Ų | 243 | 148.7 Ų | 148.7 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | 170.2 | 127.7 | 143.6 | -95.2 | 164.8 | -175.9 | -165.9 | 1.9 | 104.5 | ||||
| 1008 | S | 23.6 | Very low | 23.2 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -173.3 | 163.1 | 35.4 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1009 | S | 23.6 | Very low | 23.3 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | 63 | 107.6 | 149.7 | 50.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1010 | S | 23.2 | Very low | 23.2 | Very low | 97 Ų | 97 | 150 Ų | 150 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | 62.9 | 131.1 | 89 | 77 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1011 | D | 24.3 | Very low | 23.2 | Very low | 137 Ų | 137 | 149 Ų | 149 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | cis | -168.9 | 178.1 | 15.6 | -99.4 | -31.7 | 0 | 0 | 0 | 105.5 | ||||
| 1012 | D | 28.2 | Very low | 23.2 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 68% | 0.684 | 80% | 0.803 | S | S | * | * | trans | 90.9 | 88.7 | 149.1 | -61.6 | -26.7 | 0 | 0 | 0 | 121.5 | ||||
| 1013 | I | 23.7 | Very low | 23.1 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | 62 | 106.6 | 102.6 | -63.3 | 171.1 | 0 | 0 | 0 | 118.3 | |||||
| 1014 | K | 23.2 | Very low | 23 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 75.8 | 130.1 | 134.6 | -77.3 | 178.8 | 179.9 | 174.4 | 0 | 121.2 | ||||
| 1015 | P | 21.5 | Very low | 22.9 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -87.3 | 144 | 176.7 | 37.4 | -32.2 | 0 | 0 | 0 | 110.9 | ||||
| 1016 | N | 22.4 | Very low | 22.9 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -152.1 | 137.1 | 162.2 | -121.2 | -0.9 | 0 | 0 | 0 | 111.5 | ||||
| 1017 | T | 24.8 | Very low | 22.8 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 62.7 | 99.4 | 155.1 | 28.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1018 | Q | 20.9 | Very low | 22.9 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | 40.6 | 101.7 | 88.1 | -74.8 | -172.8 | -12.7 | 0 | 0 | 114.3 | |||||
| 1019 | S | 22 | Very low | 22.7 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | 164.9 | 126.5 | 115.4 | 61 | 0 | 0 | 0 | 0 | 112 | |||||
| 1020 | N | 20.7 | Very low | 22.6 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 43.2 | 115.4 | 141.7 | -57.7 | -15.8 | 0 | 0 | 0 | 120.2 | ||||
| 1021 | A | 23.9 | Very low | 22.3 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | -178.2 | 131.8 | 117.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1022 | E | 21.6 | Very low | 22.1 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -64.6 | 135.8 | 173.8 | -65.7 | 163.4 | 155.7 | 0 | 0 | 110.6 | ||||
| 1023 | Q | 23.8 | Very low | 21.7 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -120.6 | 117.7 | 159.1 | -81.2 | -177.4 | -14.1 | 0 | 0 | 107.8 | ||||
| 1024 | S | 19.3 | Very low | 21.5 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 132.6 | 167.5 | 48.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1025 | P | 24.8 | Very low | 21.3 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 147.3 | 158.7 | 31 | -19.1 | 0 | 0 | 0 | 110.3 | ||
| 1026 | T | 22.2 | Very low | 21.3 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -81 | 145.8 | -164.2 | 37.9 | 0 | 0 | 0 | 0 | 113.4 | D1028 | T1026-D1028 PolarHBondContact O-N 2.64Š|
| 1027 | N | 20.4 | Very low | 21.1 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -66.2 | 113.3 | 158.2 | -104.4 | -7.5 | 0 | 0 | 0 | 108.1 | ||||
| 1028 | D | 22.6 | Very low | 21 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -104.7 | 108.6 | 154.8 | -80 | -36 | 0 | 0 | 0 | 107.2 | T1026 | T1026-D1028 PolarHBondContact O-N 2.64Š| ||
| 1029 | Q | 19.3 | Very low | 21 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -75.5 | 119.1 | 167 | -73 | 177.7 | -28.9 | 0 | 0 | 107.7 | ||||
| 1030 | I | 21 | Very low | 21.1 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | trans | -111.4 | 105.2 | 163.4 | -63.9 | 175.4 | 0 | 0 | 0 | 106 | ||||
| 1031 | E | 18 | Very low | 21.2 | Very low | 185 Ų | 185 | 130.1 Ų | 130.1 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -68.2 | 125.8 | 171 | -67 | 174 | 149.9 | 0 | 0 | 109.6 | ||||
| 1032 | A | 19.5 | Very low | 21.1 | Very low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -119.5 | 100.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1033 | T | 19.6 | Very low | 21.2 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | 45.4 | 102.1 | 141.3 | 56.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1034 | N | 19.6 | Very low | 21.2 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 46% | 0.46 | 69% | 0.692 | S | S | . | * | trans | -66.4 | 161.6 | 147.2 | -72.3 | -31.5 | 0 | 0 | 0 | 110.8 | ||||
| 1035 | V | 19.8 | Very low | 21.5 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 42% | 0.418 | 69% | 0.687 | S | S | . | * | trans | 151.1 | 117.7 | 138 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | S1197 | V1035-S1197 VanDerWaalsContact CG1-CB 3.41Å; V1035-S1197 VanDerWaalsContact CG2-CB 3.49Å; V1035-S1197 WeakPolarHBondContact CG2-O 3.38Å; V1035-S1197 WeakPolarHBondContact CG2-OG 3.37Å | ||
| 1036 | L | 20.3 | Very low | 21.5 | Very low | 159 Ų | 159 | 122.7 Ų | 122.7 | 83% | 0.832 | 67% | 0.666 | S | S | * | * | trans | -169.6 | 121 | 141.5 | -101.7 | 158.9 | 0 | 0 | 0 | 110.6 | ||||
| 1037 | S | 20.1 | Very low | 21.7 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | trans | -101.8 | 162.9 | -162.5 | 52.5 | 0 | 0 | 0 | 0 | 115.7 | K1039 | S1037-K1039 VanDerWaalsContact C-N 3.34Å; S1037-K1039 PolarHBondContact O-N 3.49Å | ||
| 1038 | S | 22.6 | Very low | 22.3 | Very low | 129 Ų | 129 | 115 Ų | 115 | 90% | 0.902 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 26.5 | -167.5 | 51.9 | 0 | 0 | 0 | 0 | 120.2 | ||
| 1039 | K | 19.3 | Very low | 23 | Very low | 199 Ų | 199 | 112.6 Ų | 112.6 | 87% | 0.865 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 18.2 | 171.4 | -117.2 | -179.9 | -175.4 | 179.8 | 0 | 113.7 | S1037 T1041 | S1037-K1039 VanDerWaalsContact C-N 3.34Å; S1037-K1039 PolarHBondContact O-N 3.49Å; K1039-T1041 PolarHBondContact O-N 2.88Å |
| 1040 | A | 24 | Very low | 24 | Very low | 43 Ų | 43 | 108.3 Ų | 108.3 | 36% | 0.355 | 61% | 0.61 | S | S | . | * | trans | -73.2 | 97.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | N1044 | A1040-N1044 HydrophobicContact CB-CB 3.49Å; A1040-N1044 VanDerWaalsContact CB-CB 3.49Å; A1040-N1044 VanDerWaalsContact CB-ND2 3.31Å; A1040-N1044 WeakPolarHBondContact CB-ND2 3.1Å | ||
| 1041 | T | 22.7 | Very low | 25.4 | Very low | 104 Ų | 104 | 106.8 Ų | 106.8 | 64% | 0.638 | 60% | 0.599 | S | S | * | * | trans | -39.4 | 150.4 | 151.7 | 48 | 0 | 0 | 0 | 0 | 109.8 | K1039 R1043 N1044 | K1039-T1041 PolarHBondContact O-N 2.88Å; T1041-R1043 CarbonylContact O-C 3.54Å; T1041-R1043 WeakPolarHBondContact O-CA 2.94Å; T1041-R1043 PolarHBondContact O-N 3.31Å; T1041-N1044 PolarHBondContact O-N 2.8Å | ||
| 1042 | I | 22.2 | Very low | 27.4 | Very low | 77 Ų | 77 | 98.9 Ų | 98.9 | 40% | 0.395 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -28.3 | -27.5 | 178 | -69.6 | 159.9 | 0 | 0 | 0 | 115.4 | N1044 L1045 L1046 | I1042-N1044 PolarHBondContact O-N 3.42Å; I1042-L1045 PolarHBondContact O-N 3.31Å; I1042-L1046 HydrophobicContact CG2-CD1 4.16Å; I1042-L1046 PolarHBondContact O-N 2.88Å |
| 1043 | R | 23.3 | Very low | 29.4 | Very low | 205 Ų | 205 | 96.1 Ų | 96.1 | 77% | 0.774 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -36.1 | 168.5 | -149.4 | 171.7 | -172.1 | 166.6 | 2.2 | 116.7 | T1041 | T1041-R1043 CarbonylContact O-C 3.54Å; T1041-R1043 WeakPolarHBondContact O-CA 2.94Å; T1041-R1043 PolarHBondContact O-N 3.31Å |
| 1044 | N | 25 | Very low | 31.4 | Very low | 73 Ų | 73 | 92.5 Ų | 92.5 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -12.2 | 176.5 | -48.8 | -16.8 | 0 | 0 | 0 | 115 | A1040 T1041 I1042 L1046 S1047 | A1040-N1044 HydrophobicContact CB-CB 3.49Å; A1040-N1044 VanDerWaalsContact CB-CB 3.49Å; A1040-N1044 VanDerWaalsContact CB-ND2 3.31Å; A1040-N1044 WeakPolarHBondContact CB-ND2 3.1Å; T1041-N1044 PolarHBondContact O-N 2.8Å; I1042-N1044 PolarHBondContact O-N 3.42Å; N1044-L1046 VanDerWaalsContact C-N 3.32Å; N1044-S1047 VanDerWaalsContact CA-OG 3.28Å; N1044-S1047 WeakPolarHBondContact CA-OG 3.35Å; N1044-S1047 WeakPolarHBondContact CB-OG 3.46Å; N1044-S1047 PolarHBondContact O-N 3.26Å; N1044-S1047 VanDerWaalsContact O-N 3.08Å; N1044-S1047 PolarHBondContact O-OG 3.47Å |
| 1045 | L | 24.9 | Very low | 33.4 | Very low | 128 Ų | 128 | 88.9 Ų | 88.9 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -34.7 | 166.9 | -102.9 | 161.3 | 0 | 0 | 0 | 110.5 | I1042 S1047 G1048 | I1042-L1045 PolarHBondContact O-N 3.31Å; L1045-S1047 PolarHBondContact O-N 2.96Å; L1045-G1048 PolarHBondContact O-N 3.29Å |
| 1046 | L | 26.1 | Very low | 35.7 | Very low | 71 Ų | 71 | 85.8 Ų | 85.8 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -9 | 165.3 | -68.3 | 169.4 | 0 | 0 | 0 | 112.6 | R903 I1042 N1044 | R903-L1046 PolarHBondContact NH1-O 2.95Å; R903-L1046 PolarHBondContact NH2-O 3.35Å; I1042-L1046 HydrophobicContact CG2-CD1 4.16Å; I1042-L1046 PolarHBondContact O-N 2.88Å; N1044-L1046 VanDerWaalsContact C-N 3.32Å |
| 1047 | S | 25.7 | Very low | 37.9 | Very low | 66 Ų | 66 | 79.3 Ų | 79.3 | 46% | 0.462 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 2.7 | 174.5 | 80.3 | 0 | 0 | 0 | 0 | 113.5 | N1044 L1045 P1049 | N1044-S1047 VanDerWaalsContact CA-OG 3.28Å; N1044-S1047 WeakPolarHBondContact CA-OG 3.35Å; N1044-S1047 WeakPolarHBondContact CB-OG 3.46Å; N1044-S1047 PolarHBondContact O-N 3.26Å; N1044-S1047 VanDerWaalsContact O-N 3.08Å; N1044-S1047 PolarHBondContact O-OG 3.47Å; L1045-S1047 PolarHBondContact O-N 2.96Å; S1047-P1049 WeakPolarHBondContact O-CD 3.48Å |
| 1048 | G | 32.6 | Very low | 39.7 | Very low | 43 Ų | 43 | 76.5 Ų | 76.5 | 44% | 0.443 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -68.1 | 115.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | L1045 I1050 | L1045-G1048 PolarHBondContact O-N 3.29Å; G1048-I1050 PolarHBondContact O-N 2.77Å |
| 1049 | P | 36.7 | Very low | 41.9 | Very low | 92 Ų | 92 | 70.7 Ų | 70.7 | 60% | 0.597 | 38% | 0.382 | S | S | * | . | trans | -68.4 | 106.1 | -177.3 | 27.7 | -31.4 | 0 | 0 | 0 | 107.7 | S1047 H1051 | S1047-P1049 WeakPolarHBondContact O-CD 3.48Å; P1049-H1051 PolarHBondContact O-N 3.43Å; P1049-H1051 VanDerWaalsContact O-N 3.1Å | ||
| 1050 | I | 40.3 | Very low | 44.2 | Very low | 79 Ų | 79 | 61.2 Ų | 61.2 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | trans | -54.7 | 121.9 | 153.7 | -62.5 | 170.2 | 0 | 0 | 0 | 104.1 | F907 G1048 L1052 L1055 | F907-I1050 HydrophobicContact CD2-CD1 4.07Å; F907-I1050 HydrophobicContact CE2-CD1 3.72Å; G1048-I1050 PolarHBondContact O-N 2.77Å; I1050-L1052 PolarHBondContact O-N 3.11Å; I1050-L1055 HydrophobicContact CG2-CD1 4.38Å; I1050-L1055 HydrophobicContact CG2-CD2 4Å; I1050-L1055 HydrophobicContact CG2-CG 3.88Å | ||
| 1051 | H | 50.4 | Low | 46 | Very low | 127 Ų | 127 | 61.6 Ų | 61.6 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | trans | -53.9 | 119.5 | 178.2 | -125.6 | -83.5 | 0 | 0 | 0 | 107.1 | P1049 N1053 S1054 | P1049-H1051 PolarHBondContact O-N 3.43Å; P1049-H1051 VanDerWaalsContact O-N 3.1Å; H1051-N1053 PolarHBondContact O-N 2.88Å; H1051-S1054 WeakPolarHBondContact O-CB 3.22Å; H1051-S1054 PolarHBondContact O-N 3.05Å | ||
| 1052 | L | 60.6 | Low | 47.9 | Very low | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.3 | -29.1 | -176.7 | -76.8 | 85.2 | 0 | 0 | 0 | 111.1 | L885 L906 F981 I1050 S1054 L1055 V1056 | L885-L1052 HydrophobicContact CD1-CD2 4.44Å; L906-L1052 HydrophobicContact CD1-CD2 4.13Å; F981-L1052 HydrophobicContact CE1-CB 3.57Å; F981-L1052 HydrophobicContact CE1-CD2 4.49Å; F981-L1052 HydrophobicContact CE2-CB 4.29Å; F981-L1052 HydrophobicContact CZ-CB 3.43Å; F981-L1052 VanDerWaalsContact CZ-CB 3.43Å; F981-L1052 HydrophobicContact CZ-CD2 3.71Å; F981-L1052 HydrophobicContact CZ-CG 4.18Å; I1050-L1052 PolarHBondContact O-N 3.11Å; L1052-S1054 VanDerWaalsContact C-N 3.28Å; L1052-S1054 PolarHBondContact O-N 3.36Å; L1052-L1055 WeakPolarHBondContact O-CB 3.25Å; L1052-L1055 PolarHBondContact O-N 3.31Å; L1052-L1055 VanDerWaalsContact O-N 3.13Å; L1052-V1056 WeakPolarHBondContact O-CG2 3.47Å; L1052-V1056 PolarHBondContact O-N 2.95Å |
| 1053 | N | 62.4 | Low | 50.2 | Low | 28 Ų | 28 | 53.9 Ų | 53.9 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.8 | -36.7 | 173.8 | -147.5 | 18.6 | 0 | 0 | 0 | 113.2 | D985 H1051 N1057 | D985-N1053 PolarHBondContact OD2-ND2 3.47Å; D985-N1053 VanDerWaalsContact OD2-ND2 3.11Å; H1051-N1053 PolarHBondContact O-N 2.88Å; N1053-N1057 WeakPolarHBondContact O-CB 3.5Å; N1053-N1057 PolarHBondContact O-N 3.38Å; N1053-N1057 PolarHBondContact O-ND2 2.91Å |
| 1054 | S | 60.1 | Low | 52.2 | Low | 52 Ų | 52 | 46.8 Ų | 46.8 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.1 | -36 | 177.3 | -166.2 | 0 | 0 | 0 | 0 | 112.5 | H1051 L1052 T1058 | H1051-S1054 WeakPolarHBondContact O-CB 3.22Å; H1051-S1054 PolarHBondContact O-N 3.05Å; L1052-S1054 VanDerWaalsContact C-N 3.28Å; L1052-S1054 PolarHBondContact O-N 3.36Å; S1054-T1058 PolarHBondContact O-N 3.47Å; S1054-T1058 PolarHBondContact O-OG1 2.93Å |
| 1055 | L | 63.1 | Low | 54.2 | Low | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -46.7 | 175.7 | -64 | 174 | 0 | 0 | 0 | 110 | L906 F907 T910 I1050 L1052 N1057 T1058 L1059 | L906-L1055 HydrophobicContact CB-CD1 4.36Å; F907-L1055 HydrophobicContact CB-CD1 4.41Å; F907-L1055 HydrophobicContact CD2-CD2 4.18Å; T910-L1055 HydrophobicContact CG2-CD2 3.97Å; I1050-L1055 HydrophobicContact CG2-CD1 4.38Å; I1050-L1055 HydrophobicContact CG2-CD2 4Å; I1050-L1055 HydrophobicContact CG2-CG 3.88Å; L1052-L1055 WeakPolarHBondContact O-CB 3.25Å; L1052-L1055 PolarHBondContact O-N 3.31Å; L1052-L1055 VanDerWaalsContact O-N 3.13Å; L1055-N1057 PolarHBondContact O-N 3.41Å; L1055-T1058 WeakPolarHBondContact O-CB 3.42Å; L1055-T1058 PolarHBondContact O-N 3.45Å; L1055-L1059 PolarHBondContact O-N 3.23Å |
| 1056 | V | 68.2 | Low | 56.2 | Low | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | L906 I978 F981 L1052 T1058 L1059 V1060 | L906-V1056 HydrophobicContact CD1-CG2 4.27Å; L906-V1056 HydrophobicContact CD2-CG2 4.43Å; I978-V1056 HydrophobicContact CB-CG1 4.14Å; I978-V1056 HydrophobicContact CG1-CG1 3.92Å; I978-V1056 HydrophobicContact CG2-CG1 3.78Å; F981-V1056 HydrophobicContact CD2-CG2 3.73Å; F981-V1056 HydrophobicContact CE2-CG2 4.02Å; F981-V1056 HydrophobicContact CG-CG2 4.38Å; L1052-V1056 WeakPolarHBondContact O-CG2 3.47Å; L1052-V1056 PolarHBondContact O-N 2.95Å; V1056-T1058 VanDerWaalsContact C-N 3.28Å; V1056-T1058 PolarHBondContact O-N 3.16Å; V1056-L1059 PolarHBondContact O-N 3.08Å; V1056-L1059 VanDerWaalsContact O-N 3.16Å; V1056-V1060 HydrophobicContact CG1-CG2 4.41Å; V1056-V1060 WeakPolarHBondContact O-CG2 3.44Å; V1056-V1060 PolarHBondContact O-N 3.18Å |
| 1057 | N | 64.9 | Low | 58.4 | Low | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -37.9 | 176.8 | -75.2 | -20.3 | 0 | 0 | 0 | 112.5 | N1053 L1055 V1060 I1061 | N1053-N1057 WeakPolarHBondContact O-CB 3.5Å; N1053-N1057 PolarHBondContact O-N 3.38Å; N1053-N1057 PolarHBondContact O-ND2 2.91Å; L1055-N1057 PolarHBondContact O-N 3.41Å; N1057-V1060 PolarHBondContact O-N 3.32Å; N1057-I1061 WeakPolarHBondContact O-CB 3.49Å; N1057-I1061 WeakPolarHBondContact O-CD1 3.2Å; N1057-I1061 WeakPolarHBondContact O-CG1 3.49Å; N1057-I1061 PolarHBondContact O-N 3.09Å |
| 1058 | T | 57.7 | Low | 60.3 | Low | 34 Ų | 34 | 48.9 Ų | 48.9 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | T910 L914 S1054 L1055 V1056 I1061 T1062 | T910-T1058 HydrophobicContact CG2-CG2 3.68Å; L914-T1058 HydrophobicContact CD1-CG2 4.29Å; L914-T1058 HydrophobicContact CD2-CG2 4.02Å; L914-T1058 HydrophobicContact CG-CG2 4.2Å; S1054-T1058 PolarHBondContact O-N 3.47Å; S1054-T1058 PolarHBondContact O-OG1 2.93Å; L1055-T1058 WeakPolarHBondContact O-CB 3.42Å; L1055-T1058 PolarHBondContact O-N 3.45Å; V1056-T1058 VanDerWaalsContact C-N 3.28Å; V1056-T1058 PolarHBondContact O-N 3.16Å; T1058-I1061 PolarHBondContact O-N 3.13Å; T1058-T1062 HydrophobicContact CG2-CG2 4.46Å; T1058-T1062 VanDerWaalsContact O-CG2 3.25Å; T1058-T1062 WeakPolarHBondContact O-CG2 3.27Å; T1058-T1062 PolarHBondContact O-N 3.45Å; T1058-T1062 PolarHBondContact O-OG1 3.35Å |
| 1059 | L | 68.7 | Low | 61.8 | Low | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.4 | -69.4 | 170.5 | 0 | 0 | 0 | 111.9 | L906 L909 T913 L1055 V1056 I1061 T1062 V1063 | L906-L1059 HydrophobicContact CD2-CD1 3.93Å; L909-L1059 HydrophobicContact CB-CD1 4.13Å; L909-L1059 HydrophobicContact CB-CD2 3.83Å; T913-L1059 HydrophobicContact CG2-CD2 4.2Å; L1055-L1059 PolarHBondContact O-N 3.23Å; V1056-L1059 PolarHBondContact O-N 3.08Å; V1056-L1059 VanDerWaalsContact O-N 3.16Å; L1059-I1061 VanDerWaalsContact C-N 3.33Å; L1059-I1061 PolarHBondContact O-N 3.41Å; L1059-T1062 WeakPolarHBondContact CA-OG1 3.23Å; L1059-T1062 PolarHBondContact O-N 2.94Å; L1059-T1062 PolarHBondContact O-OG1 2.73Å; L1059-V1063 WeakPolarHBondContact O-CG2 3.33Å; L1059-V1063 PolarHBondContact O-N 3.29Å |
| 1060 | V | 68.7 | Low | 62.9 | Low | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 176.5 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | I978 V1056 N1057 V1063 L1064 L1080 I1084 | I978-V1060 HydrophobicContact CD1-CG2 3.95Å; I978-V1060 HydrophobicContact CG1-CG2 4.25Å; I978-V1060 HydrophobicContact CG2-CG2 3.69Å; V1056-V1060 HydrophobicContact CG1-CG2 4.41Å; V1056-V1060 WeakPolarHBondContact O-CG2 3.44Å; V1056-V1060 PolarHBondContact O-N 3.18Å; N1057-V1060 PolarHBondContact O-N 3.32Å; V1060-V1063 PolarHBondContact O-N 3.18Å; V1060-L1064 HydrophobicContact CG1-CD1 3.8Å; V1060-L1064 HydrophobicContact CG1-CG 4.41Å; V1060-L1064 WeakPolarHBondContact O-CB 3.26Å; V1060-L1064 WeakPolarHBondContact O-CG 3.45Å; V1060-L1064 PolarHBondContact O-N 3.42Å; V1060-L1080 HydrophobicContact CG1-CB 4.21Å; V1060-L1080 HydrophobicContact CG1-CD2 4.22Å; V1060-L1080 HydrophobicContact CG2-CD2 4.06Å; V1060-I1084 HydrophobicContact CG1-CD1 4.17Å; V1060-I1084 HydrophobicContact CG1-CG1 3.96Å |
| 1061 | I | 61.5 | Low | 63.8 | Low | 50 Ų | 50 | 53.8 Ų | 53.8 | 26% | 0.256 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.6 | -68.7 | 164.7 | 0 | 0 | 0 | 111 | N1057 T1058 L1059 L1064 R1065 I1084 | N1057-I1061 WeakPolarHBondContact O-CB 3.49Å; N1057-I1061 WeakPolarHBondContact O-CD1 3.2Å; N1057-I1061 WeakPolarHBondContact O-CG1 3.49Å; N1057-I1061 PolarHBondContact O-N 3.09Å; T1058-I1061 PolarHBondContact O-N 3.13Å; L1059-I1061 VanDerWaalsContact C-N 3.33Å; L1059-I1061 PolarHBondContact O-N 3.41Å; I1061-L1064 PolarHBondContact O-N 3.4Å; I1061-R1065 WeakPolarHBondContact O-CB 3.26Å; I1061-R1065 PolarHBondContact O-N 3.02Å; I1061-I1084 HydrophobicContact CG1-CD1 4.38Å |
| 1062 | T | 63.6 | Low | 64.6 | Low | 16 Ų | 16 | 47.8 Ų | 47.8 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 178.7 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | T913 T1058 L1059 R1065 H1066 | T913-T1062 HydrophobicContact CG2-CG2 4.08Å; T1058-T1062 HydrophobicContact CG2-CG2 4.46Å; T1058-T1062 VanDerWaalsContact O-CG2 3.25Å; T1058-T1062 WeakPolarHBondContact O-CG2 3.27Å; T1058-T1062 PolarHBondContact O-N 3.45Å; T1058-T1062 PolarHBondContact O-OG1 3.35Å; L1059-T1062 WeakPolarHBondContact CA-OG1 3.23Å; L1059-T1062 PolarHBondContact O-N 2.94Å; L1059-T1062 PolarHBondContact O-OG1 2.73Å; T1062-R1065 PolarHBondContact O-N 3.29Å; T1062-H1066 WeakPolarHBondContact O-CB 3.42Å; T1062-H1066 PolarHBondContact O-CD2 3.22Å; T1062-H1066 PolarHBondContact O-N 3.2Å |
| 1063 | V | 69.6 | Low | 64.7 | Low | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 176.5 | 174 | 0 | 0 | 0 | 0 | 111 | V965 L1059 V1060 R1065 S1067 Y1072 L1080 | V965-V1063 HydrophobicContact CB-CG2 4.12Å; V965-V1063 HydrophobicContact CG1-CG2 3.6Å; L1059-V1063 WeakPolarHBondContact O-CG2 3.33Å; L1059-V1063 PolarHBondContact O-N 3.29Å; V1060-V1063 PolarHBondContact O-N 3.18Å; V1063-R1065 VanDerWaalsContact C-N 3.25Å; V1063-R1065 PolarHBondContact O-N 3.08Å; V1063-S1067 WeakPolarHBondContact O-CB 3.42Å; V1063-S1067 PolarHBondContact O-N 3.35Å; V1063-Y1072 HydrophobicContact CG1-CE1 3.88Å; V1063-L1080 HydrophobicContact CG1-CD1 3.96Å |
| 1064 | L | 66.1 | Low | 64.7 | Low | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.1 | -29.2 | 179.1 | -73.1 | 171.3 | 0 | 0 | 0 | 113.1 | V1060 I1061 L1073 L1080 I1084 | V1060-L1064 HydrophobicContact CG1-CD1 3.8Å; V1060-L1064 HydrophobicContact CG1-CG 4.41Å; V1060-L1064 WeakPolarHBondContact O-CB 3.26Å; V1060-L1064 WeakPolarHBondContact O-CG 3.45Å; V1060-L1064 PolarHBondContact O-N 3.42Å; I1061-L1064 PolarHBondContact O-N 3.4Å; L1064-L1073 HydrophobicContact CD2-CD2 4.34Å; L1064-L1080 HydrophobicContact CD1-CB 4.35Å; L1064-L1080 HydrophobicContact CD2-CB 4.01Å; L1064-L1080 HydrophobicContact CG-CB 4.27Å; L1064-I1084 HydrophobicContact CD1-CD1 3.52Å |
| 1065 | R | 66.5 | Low | 64.9 | Low | 173 Ų | 173 | 58.5 Ų | 58.5 | 65% | 0.653 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -83.9 | -38.3 | -178.8 | -175.9 | -178.4 | -67.8 | -147.2 | 1.4 | 113 | I1061 T1062 V1063 | I1061-R1065 WeakPolarHBondContact O-CB 3.26Å; I1061-R1065 PolarHBondContact O-N 3.02Å; T1062-R1065 PolarHBondContact O-N 3.29Å; V1063-R1065 VanDerWaalsContact C-N 3.25Å; V1063-R1065 PolarHBondContact O-N 3.08Å |
| 1066 | H | 66.7 | Low | 65.1 | Low | 53 Ų | 53 | 60 Ų | 60 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -118.5 | -9.3 | -164.8 | -63.6 | -69.4 | 0 | 0 | 0 | 115.1 | I959 A962 T1062 E1068 | I959-H1066 HydrophobicContact CB-CB 4.46Å; I959-H1066 HydrophobicContact CG1-CB 4.04Å; A962-H1066 HydrophobicContact CB-CB 3.83Å; T1062-H1066 WeakPolarHBondContact O-CB 3.42Å; T1062-H1066 PolarHBondContact O-CD2 3.22Å; T1062-H1066 PolarHBondContact O-N 3.2Å; H1066-E1068 PolarHBondContact O-N 3.22Å |
| 1067 | S | 71.4 | Confident | 65.1 | Low | 13 Ų | 13 | 60.2 Ų | 60.2 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -67.4 | 127 | 179 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | A966 V1063 L1073 | A966-S1067 VanDerWaalsContact CB-OG 3.27Å; A966-S1067 WeakPolarHBondContact CB-OG 3.05Å; V1063-S1067 WeakPolarHBondContact O-CB 3.42Å; V1063-S1067 PolarHBondContact O-N 3.35Å; S1067-L1073 WeakPolarHBondContact O-CD1 3.41Å | ||
| 1068 | E | 66.1 | Low | 65 | Low | 144 Ų | 144 | 62.8 Ų | 62.8 | 67% | 0.673 | 31% | 0.305 | S | S | * | . | trans | -86.3 | -14.6 | 177.4 | -60.2 | -166.3 | 165.3 | 0 | 0 | 113.4 | H1066 V1070 | H1066-E1068 PolarHBondContact O-N 3.22Å; E1068-V1070 PolarHBondContact O-N 3.06Å | ||
| 1069 | N | 64.3 | Low | 65.3 | Low | 62 Ų | 62 | 67.5 Ų | 67.5 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | trans | -80.6 | 92.8 | -173.4 | -170.9 | -13.5 | 0 | 0 | 0 | 111.9 | F1071 Y1072 L1073 | N1069-F1071 VanDerWaalsContact C-N 3.27Å; N1069-F1071 PolarHBondContact O-N 3.36Å; N1069-F1071 PolarHBondContact OD1-N 3.12Å; N1069-Y1072 WeakPolarHBondContact O-CB 3.14Å; N1069-Y1072 PolarHBondContact O-N 3.15Å; N1069-Y1072 VanDerWaalsContact O-N 3.1Å; N1069-Y1072 PolarHBondContact OD1-N 2.73Å; N1069-L1073 PolarHBondContact O-N 3.36Å | ||
| 1070 | V | 59.7 | Low | 65.3 | Low | 94 Ų | 94 | 67.2 Ų | 67.2 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.5 | -39.2 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | E1068 Y1072 L1073 D1074 | E1068-V1070 PolarHBondContact O-N 3.06Å; V1070-Y1072 VanDerWaalsContact C-N 3.31Å; V1070-Y1072 PolarHBondContact O-N 3.42Å; V1070-L1073 PolarHBondContact O-N 3.23Å; V1070-D1074 WeakPolarHBondContact O-CB 3.04Å; V1070-D1074 PolarHBondContact O-N 3.41Å |
| 1071 | F | 60.3 | Low | 65 | Low | 160 Ų | 160 | 69.7 Ų | 69.7 | 70% | 0.702 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.6 | -35.8 | 179.9 | -65.7 | -74.2 | 0 | 0 | 0 | 112.3 | N1069 R1075 | N1069-F1071 VanDerWaalsContact C-N 3.27Å; N1069-F1071 PolarHBondContact O-N 3.36Å; N1069-F1071 PolarHBondContact OD1-N 3.12Å; F1071-R1075 WeakPolarHBondContact O-CG 3.28Å; F1071-R1075 PolarHBondContact O-N 3.29Å; F1071-R1075 VanDerWaalsContact O-N 3.1Å |
| 1072 | Y | 67.1 | Low | 65 | Low | 1 Ų | 1 | 74.9 Ų | 74.9 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.7 | -46.6 | 174.9 | 171.4 | -87.5 | 0 | 0 | 0 | 110.9 | A966 F971 V1063 N1069 V1070 D1074 R1075 Y1076 L1080 | A966-Y1072 HydrophobicContact CB-CD1 3.68Å; A966-Y1072 HydrophobicContact CB-CD2 4.29Å; A966-Y1072 HydrophobicContact CB-CE1 3.75Å; A966-Y1072 HydrophobicContact CB-CE2 4.33Å; A966-Y1072 HydrophobicContact CB-CG 3.97Å; A966-Y1072 WeakPolarHBondContact O-CD2 3.26Å; F971-Y1072 HydrophobicContact CB-CE2 3.83Å; F971-Y1072 AromaticContact CD1-CE2 3.46Å; F971-Y1072 HydrophobicContact CD1-CE2 3.46Å; F971-Y1072 VanDerWaalsContact CD1-CE2 3.46Å; F971-Y1072 AromaticContact CD1-CZ 3.67Å; F971-Y1072 WeakPolarHBondContact CD1-OH 3.44Å; F971-Y1072 HydrophobicContact CD2-CE2 4.18Å; F971-Y1072 AromaticContact CD2-CZ 3.93Å; F971-Y1072 WeakPolarHBondContact CD2-OH 3.31Å; F971-Y1072 HydrophobicContact CE1-CE2 4.06Å; F971-Y1072 AromaticContact CE1-CZ 3.82Å; F971-Y1072 WeakPolarHBondContact CE1-OH 3.33Å; F971-Y1072 WeakPolarHBondContact CE2-OH 3.37Å; F971-Y1072 AromaticContact CG-CE2 3.54Å; F971-Y1072 HydrophobicContact CG-CE2 3.54Å; F971-Y1072 AromaticContact CG-CZ 3.73Å; F971-Y1072 WeakPolarHBondContact CG-OH 3.39Å; F971-Y1072 WeakPolarHBondContact CZ-OH 3.33Å; V1063-Y1072 HydrophobicContact CG1-CE1 3.88Å; N1069-Y1072 WeakPolarHBondContact O-CB 3.14Å; N1069-Y1072 PolarHBondContact O-N 3.15Å; N1069-Y1072 VanDerWaalsContact O-N 3.1Å; N1069-Y1072 PolarHBondContact OD1-N 2.73Å; V1070-Y1072 VanDerWaalsContact C-N 3.31Å; V1070-Y1072 PolarHBondContact O-N 3.42Å; Y1072-D1074 VanDerWaalsContact C-N 3.26Å; Y1072-D1074 PolarHBondContact O-N 3.26Å; Y1072-R1075 PolarHBondContact O-N 3.16Å; Y1072-R1075 VanDerWaalsContact O-N 3.13Å; Y1072-Y1076 AromaticContact CD2-CD2 3.4Å; Y1072-Y1076 HydrophobicContact CD2-CD2 3.4Å; Y1072-Y1076 VanDerWaalsContact CD2-CD2 3.4Å; Y1072-Y1076 AromaticContact CD2-CE2 3.86Å; Y1072-Y1076 HydrophobicContact CD2-CE2 3.86Å; Y1072-Y1076 HydrophobicContact CD2-CG 4.45Å; Y1072-Y1076 AromaticContact CE2-CD2 3.37Å; Y1072-Y1076 HydrophobicContact CE2-CD2 3.37Å; Y1072-Y1076 AromaticContact CE2-CE2 3.91Å; Y1072-Y1076 HydrophobicContact CE2-CE2 3.91Å; Y1072-Y1076 HydrophobicContact CE2-CG 4.11Å; Y1072-Y1076 HydrophobicContact CG-CD2 4.12Å; Y1072-Y1076 PolarHBondContact O-N 3.38Å; Y1072-L1080 HydrophobicContact CE1-CD1 4.38Å |
| 1073 | L | 62.2 | Low | 64.7 | Low | 46 Ų | 46 | 75.2 Ų | 75.2 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.4 | -33.1 | 175.2 | -71 | 176.1 | 0 | 0 | 0 | 111.9 | L1064 S1067 N1069 V1070 G1077 P1078 | L1064-L1073 HydrophobicContact CD2-CD2 4.34Å; S1067-L1073 WeakPolarHBondContact O-CD1 3.41Å; N1069-L1073 PolarHBondContact O-N 3.36Å; V1070-L1073 PolarHBondContact O-N 3.23Å; L1073-G1077 WeakPolarHBondContact O-CA 3.39Å; L1073-G1077 PolarHBondContact O-N 3.38Å; L1073-P1078 WeakPolarHBondContact O-CD 3.3Å |
| 1074 | D | 61.9 | Low | 64 | Low | 119 Ų | 119 | 77 Ų | 77 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.3 | -38.8 | 173.2 | -82.5 | -13.2 | 0 | 0 | 0 | 112.2 | V1070 Y1072 | V1070-D1074 WeakPolarHBondContact O-CB 3.04Å; V1070-D1074 PolarHBondContact O-N 3.41Å; Y1072-D1074 VanDerWaalsContact C-N 3.26Å; Y1072-D1074 PolarHBondContact O-N 3.26Å |
| 1075 | R | 64.3 | Low | 62.9 | Low | 159 Ų | 159 | 76.1 Ų | 76.1 | 60% | 0.6 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.1 | -45.1 | 179.6 | -77.4 | -178 | -176.7 | 171.7 | 4.1 | 113.3 | D968 F1071 Y1072 | D968-R1075 IonicContact OD2-NH1 3.13Å; D968-R1075 PolarHBondContact OD2-NH1 3.09Å; F1071-R1075 WeakPolarHBondContact O-CG 3.28Å; F1071-R1075 PolarHBondContact O-N 3.29Å; F1071-R1075 VanDerWaalsContact O-N 3.1Å; Y1072-R1075 PolarHBondContact O-N 3.16Å; Y1072-R1075 VanDerWaalsContact O-N 3.13Å |
| 1076 | Y | 68.2 | Low | 61.4 | Low | 43 Ų | 43 | 73.2 Ų | 73.2 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -116.8 | -19.6 | -169.6 | -59.6 | -72.6 | 0 | 0 | 0 | 113.7 | F971 L975 Y1072 R1079 L1080 | F971-Y1076 HydrophobicContact CD1-CD1 4.08Å; F971-Y1076 HydrophobicContact CD1-CD2 4.07Å; F971-Y1076 HydrophobicContact CD1-CE1 4.29Å; F971-Y1076 HydrophobicContact CD1-CE2 4.27Å; F971-Y1076 AromaticContact CD1-CG 3.95Å; F971-Y1076 HydrophobicContact CD1-CG 3.95Å; F971-Y1076 AromaticContact CE1-CD1 3.91Å; F971-Y1076 HydrophobicContact CE1-CD1 3.91Å; F971-Y1076 HydrophobicContact CE1-CD2 4.36Å; F971-Y1076 AromaticContact CE1-CG 3.81Å; F971-Y1076 HydrophobicContact CE1-CG 3.81Å; L975-Y1076 HydrophobicContact CD2-CD1 3.77Å; L975-Y1076 HydrophobicContact CD2-CE1 3.89Å; Y1072-Y1076 AromaticContact CD2-CD2 3.4Å; Y1072-Y1076 HydrophobicContact CD2-CD2 3.4Å; Y1072-Y1076 VanDerWaalsContact CD2-CD2 3.4Å; Y1072-Y1076 AromaticContact CD2-CE2 3.86Å; Y1072-Y1076 HydrophobicContact CD2-CE2 3.86Å; Y1072-Y1076 HydrophobicContact CD2-CG 4.45Å; Y1072-Y1076 AromaticContact CE2-CD2 3.37Å; Y1072-Y1076 HydrophobicContact CE2-CD2 3.37Å; Y1072-Y1076 AromaticContact CE2-CE2 3.91Å; Y1072-Y1076 HydrophobicContact CE2-CE2 3.91Å; Y1072-Y1076 HydrophobicContact CE2-CG 4.11Å; Y1072-Y1076 HydrophobicContact CG-CD2 4.12Å; Y1072-Y1076 PolarHBondContact O-N 3.38Å; Y1076-R1079 CarbonylContact O-C 3.57Å; Y1076-R1079 WeakPolarHBondContact O-CA 3.09Å; Y1076-R1079 VanDerWaalsContact O-CB 3.32Å; Y1076-R1079 WeakPolarHBondContact O-CB 3.45Å; Y1076-R1079 PolarHBondContact O-N 2.89Å; Y1076-L1080 PolarHBondContact O-N 3.39Å |
| 1077 | G | 66.8 | Low | 59.9 | Low | 8 Ų | 8 | 75.6 Ų | 75.6 | 8% | 0.082 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.4 | -47.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1073 R1079 L1080 A1081 | L1073-G1077 WeakPolarHBondContact O-CA 3.39Å; L1073-G1077 PolarHBondContact O-N 3.38Å; G1077-R1079 VanDerWaalsContact C-N 3.26Å; G1077-R1079 PolarHBondContact O-N 2.95Å; G1077-L1080 PolarHBondContact O-N 2.62Å; G1077-A1081 VanDerWaalsContact O-CB 3.32Å; G1077-A1081 WeakPolarHBondContact O-CB 3.3Å; G1077-A1081 PolarHBondContact O-N 3.31Å |
| 1078 | P | 62.7 | Low | 58.3 | Low | 77 Ų | 77 | 79.5 Ų | 79.5 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.4 | -35.2 | 173.5 | -25.5 | 33.1 | 0 | 0 | 0 | 113.4 | L1073 Q1082 | L1073-P1078 WeakPolarHBondContact O-CD 3.3Å; P1078-Q1082 VanDerWaalsContact O-CG 3.25Å; P1078-Q1082 WeakPolarHBondContact O-CG 3.31Å; P1078-Q1082 PolarHBondContact O-N 3.5Å |
| 1079 | R | 65.8 | Low | 56.3 | Low | 133 Ų | 133 | 81.4 Ų | 81.4 | 50% | 0.502 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68 | -49.5 | 175.5 | -100.8 | 176.8 | 166.3 | 168.1 | -8.3 | 110.9 | E979 Y1076 G1077 A1081 Q1082 L1083 | E979-R1079 IonicContact OE1-NE 3.28Å; Y1076-R1079 CarbonylContact O-C 3.57Å; Y1076-R1079 WeakPolarHBondContact O-CA 3.09Å; Y1076-R1079 VanDerWaalsContact O-CB 3.32Å; Y1076-R1079 WeakPolarHBondContact O-CB 3.45Å; Y1076-R1079 PolarHBondContact O-N 2.89Å; G1077-R1079 VanDerWaalsContact C-N 3.26Å; G1077-R1079 PolarHBondContact O-N 2.95Å; R1079-A1081 VanDerWaalsContact C-N 3.34Å; R1079-A1081 PolarHBondContact O-N 2.75Å; R1079-Q1082 WeakPolarHBondContact O-CB 3.37Å; R1079-Q1082 PolarHBondContact O-N 3.36Å; R1079-L1083 WeakPolarHBondContact O-CG 3.42Å; R1079-L1083 PolarHBondContact O-N 3.44Å |
| 1080 | L | 67.4 | Low | 54.6 | Low | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.005 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 177.4 | -77.8 | 178.1 | 0 | 0 | 0 | 112.6 | F971 L975 I978 V1060 V1063 L1064 Y1072 Y1076 G1077 Q1082 L1083 | F971-L1080 HydrophobicContact CZ-CD1 3.91Å; F971-L1080 HydrophobicContact CZ-CD2 3.79Å; F971-L1080 HydrophobicContact CZ-CG 4.09Å; L975-L1080 HydrophobicContact CD1-CD2 4.34Å; I978-L1080 HydrophobicContact CD1-CD2 3.91Å; V1060-L1080 HydrophobicContact CG1-CB 4.21Å; V1060-L1080 HydrophobicContact CG1-CD2 4.22Å; V1060-L1080 HydrophobicContact CG2-CD2 4.06Å; V1063-L1080 HydrophobicContact CG1-CD1 3.96Å; L1064-L1080 HydrophobicContact CD1-CB 4.35Å; L1064-L1080 HydrophobicContact CD2-CB 4.01Å; L1064-L1080 HydrophobicContact CG-CB 4.27Å; Y1072-L1080 HydrophobicContact CE1-CD1 4.38Å; Y1076-L1080 PolarHBondContact O-N 3.39Å; G1077-L1080 PolarHBondContact O-N 2.62Å; L1080-Q1082 VanDerWaalsContact C-N 3.31Å; L1080-Q1082 PolarHBondContact O-N 2.81Å; L1080-L1083 HydrophobicContact CD2-CD1 4.07Å; L1080-L1083 WeakPolarHBondContact O-CB 3.23Å; L1080-L1083 PolarHBondContact O-N 3.14Å |
| 1081 | A | 62.1 | Low | 53 | Low | 53 Ų | 53 | 88.1 Ų | 88.1 | 44% | 0.438 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1077 R1079 L1083 I1084 | G1077-A1081 VanDerWaalsContact O-CB 3.32Å; G1077-A1081 WeakPolarHBondContact O-CB 3.3Å; G1077-A1081 PolarHBondContact O-N 3.31Å; R1079-A1081 VanDerWaalsContact C-N 3.34Å; R1079-A1081 PolarHBondContact O-N 2.75Å; A1081-L1083 VanDerWaalsContact C-N 3.27Å; A1081-L1083 PolarHBondContact O-N 3.19Å; A1081-I1084 PolarHBondContact O-N 3.19Å |
| 1082 | Q | 63 | Low | 51.3 | Low | 158 Ų | 158 | 84 Ų | 84 | 74% | 0.738 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.6 | -25.6 | 175.2 | -74.3 | 170.1 | 17.9 | 0 | 0 | 113.1 | P1078 R1079 L1080 I1084 | P1078-Q1082 VanDerWaalsContact O-CG 3.25Å; P1078-Q1082 WeakPolarHBondContact O-CG 3.31Å; P1078-Q1082 PolarHBondContact O-N 3.5Å; R1079-Q1082 WeakPolarHBondContact O-CB 3.37Å; R1079-Q1082 PolarHBondContact O-N 3.36Å; L1080-Q1082 VanDerWaalsContact C-N 3.31Å; L1080-Q1082 PolarHBondContact O-N 2.81Å; Q1082-I1084 VanDerWaalsContact C-N 3.28Å |
| 1083 | L | 57.5 | Low | 49.3 | Very low | 24 Ų | 24 | 87.5 Ų | 87.5 | 13% | 0.126 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -76.9 | -19.1 | -178.4 | -57.3 | 161.8 | 0 | 0 | 0 | 111.5 | L975 I978 E979 S982 R1079 L1080 A1081 T1085 | L975-L1083 HydrophobicContact CD1-CD1 4.41Å; I978-L1083 HydrophobicContact CB-CD1 4.24Å; I978-L1083 HydrophobicContact CG2-CB 4.17Å; I978-L1083 HydrophobicContact CG2-CD1 3.36Å; I978-L1083 HydrophobicContact CG2-CG 4.2Å; E979-L1083 HydrophobicContact CG-CD2 4.34Å; S982-L1083 WeakPolarHBondContact OG-CD2 2.98Å; R1079-L1083 WeakPolarHBondContact O-CG 3.42Å; R1079-L1083 PolarHBondContact O-N 3.44Å; L1080-L1083 HydrophobicContact CD2-CD1 4.07Å; L1080-L1083 WeakPolarHBondContact O-CB 3.23Å; L1080-L1083 PolarHBondContact O-N 3.14Å; A1081-L1083 VanDerWaalsContact C-N 3.27Å; A1081-L1083 PolarHBondContact O-N 3.19Å; L1083-T1085 PolarHBondContact O-N 3.24Å |
| 1084 | I | 53.3 | Low | 47.7 | Very low | 41 Ų | 41 | 94.4 Ų | 94.4 | 21% | 0.21 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -72.9 | 112.8 | 173.8 | -60.1 | 173.9 | 0 | 0 | 0 | 108.5 | V1060 I1061 L1064 A1081 Q1082 P1086 | V1060-I1084 HydrophobicContact CG1-CD1 4.17Å; V1060-I1084 HydrophobicContact CG1-CG1 3.96Å; I1061-I1084 HydrophobicContact CG1-CD1 4.38Å; L1064-I1084 HydrophobicContact CD1-CD1 3.52Å; A1081-I1084 PolarHBondContact O-N 3.19Å; Q1082-I1084 VanDerWaalsContact C-N 3.28Å; I1084-P1086 WeakPolarHBondContact O-CD 3.17Å |
| 1085 | T | 44.5 | Very low | 46.3 | Very low | 37 Ų | 37 | 96.4 Ų | 96.4 | 23% | 0.227 | 50% | 0.496 | C | S | . | . | trans | -61.5 | 124.8 | 175.2 | -23.3 | 0 | 0 | 0 | 0 | 109.3 | L1083 S1087 Q1088 | L1083-T1085 PolarHBondContact O-N 3.24Å; T1085-S1087 PolarHBondContact O-N 2.84Å; T1085-Q1088 PolarHBondContact O-N 3.41Å | ||
| 1086 | P | 34.8 | Very low | 44.6 | Very low | 112 Ų | 112 | 91.4 Ų | 91.4 | 73% | 0.727 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 13.2 | -175.6 | 27.2 | -33.8 | 0 | 0 | 0 | 114.1 | I1084 Q1088 | I1084-P1086 WeakPolarHBondContact O-CD 3.17Å; P1086-Q1088 PolarHBondContact O-N 3.04Å |
| 1087 | S | 35.7 | Very low | 43.1 | Very low | 102 Ų | 102 | 91.1 Ų | 91.1 | 71% | 0.713 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -3.2 | 161.2 | 38.7 | 0 | 0 | 0 | 0 | 113.3 | T1085 | T1085-S1087 PolarHBondContact O-N 2.84Š|
| 1088 | Q | 37.5 | Very low | 41.7 | Very low | 95 Ų | 95 | 95.8 Ų | 95.8 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -117.1 | 84.6 | 170.5 | -62.7 | -174.2 | -8.2 | 0 | 0 | 109.5 | T1085 P1086 I1090 | T1085-Q1088 PolarHBondContact O-N 3.41Å; P1086-Q1088 PolarHBondContact O-N 3.04Å; Q1088-I1090 HydrophobicContact CB-CD1 4.44Å; Q1088-I1090 PolarHBondContact O-N 2.83Å |
| 1089 | Q | 24 | Very low | 40.7 | Very low | 184 Ų | 184 | 92.9 Ų | 92.9 | 86% | 0.86 | 49% | 0.493 | S | S | * | . | trans | -67 | 98.5 | 167.4 | -72.5 | -176.3 | -40.4 | 0 | 0 | 108.8 | ||||
| 1090 | I | 27.6 | Very low | 39.5 | Very low | 94 Ų | 94 | 88.3 Ų | 88.3 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | trans | -130.8 | 53.6 | 173.3 | -58.9 | 169.3 | 0 | 0 | 0 | 109.3 | Q1088 I1093 | Q1088-I1090 HydrophobicContact CB-CD1 4.44Å; Q1088-I1090 PolarHBondContact O-N 2.83Å; I1090-I1093 HydrophobicContact CB-CD1 4.35Å; I1090-I1093 HydrophobicContact CG1-CD1 4.36Å; I1090-I1093 HydrophobicContact CG2-CD1 3.44Å; I1090-I1093 VanDerWaalsContact CG2-CD1 3.44Å; I1090-I1093 HydrophobicContact CG2-CG1 4.05Å | ||
| 1091 | E | 26.2 | Very low | 38.2 | Very low | 204 Ų | 204 | 89.8 Ų | 89.8 | 95% | 0.953 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -105.3 | 7.9 | 169.2 | -82.7 | -172.2 | 164.7 | 0 | 0 | 113.1 | ||
| 1092 | S | 24.8 | Very low | 37.1 | Very low | 72 Ų | 72 | 89.4 Ų | 89.4 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | trans | -131.4 | 60.2 | 179.5 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1093 | I | 24.6 | Very low | 36.3 | Very low | 75 Ų | 75 | 83 Ų | 83 | 39% | 0.385 | 45% | 0.452 | S | S | . | . | trans | -138.4 | 63.9 | 176.5 | -43.6 | 177.8 | 0 | 0 | 0 | 110.6 | I1090 V1101 | I1090-I1093 HydrophobicContact CB-CD1 4.35Å; I1090-I1093 HydrophobicContact CG1-CD1 4.36Å; I1090-I1093 HydrophobicContact CG2-CD1 3.44Å; I1090-I1093 VanDerWaalsContact CG2-CD1 3.44Å; I1090-I1093 HydrophobicContact CG2-CG1 4.05Å; I1093-V1101 HydrophobicContact CD1-CG1 4.28Å; I1093-V1101 HydrophobicContact CD1-CG2 3.87Å; I1093-V1101 HydrophobicContact CG1-CG2 4.14Å | ||
| 1094 | Q | 29.9 | Very low | 35.6 | Very low | 192 Ų | 192 | 88.5 Ų | 88.5 | 90% | 0.897 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -103.6 | -23.2 | 154.1 | -84.1 | -173.2 | -12.1 | 0 | 0 | 112.6 | ||
| 1095 | D | 30.6 | Very low | 34.9 | Very low | 160 Ų | 160 | 90.4 Ų | 90.4 | 86% | 0.856 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -131.3 | 11.7 | -173 | -66.8 | -43.9 | 0 | 0 | 0 | 115.3 | ||
| 1096 | I | 28.8 | Very low | 35.2 | Very low | 54 Ų | 54 | 94.8 Ų | 94.8 | 28% | 0.277 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -109 | 122.6 | 179.9 | -58.6 | 175.3 | 0 | 0 | 0 | 108.3 | D1100 V1101 | I1096-D1100 HydrophobicContact CG2-CB 3.42Å; I1096-D1100 VanDerWaalsContact CG2-CB 3.42Å; I1096-V1101 HydrophobicContact CG2-CG2 4.12Å |
| 1097 | P | 37.7 | Very low | 35.9 | Very low | 38 Ų | 38 | 90.7 Ų | 90.7 | 25% | 0.247 | 49% | 0.487 | C | S | . | . | trans | -57 | 138.4 | 176.8 | 24 | -31.9 | 0 | 0 | 0 | 108.8 | I1099 D1100 S1138 | P1097-I1099 PolarHBondContact O-N 3.47Å; P1097-D1100 HydrophobicContact CG-CB 4.16Å; P1097-D1100 VanDerWaalsContact CG-OD2 3.3Å; P1097-D1100 WeakPolarHBondContact CG-OD2 3.08Å; P1097-D1100 PolarHBondContact O-N 2.84Å; P1097-S1138 WeakPolarHBondContact CB-OG 3.4Å | ||
| 1098 | P | 36.8 | Very low | 36.8 | Very low | 105 Ų | 105 | 86 Ų | 86 | 68% | 0.682 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -55.7 | -16.3 | -171.6 | 16.7 | -29.4 | 0 | 0 | 0 | 114.3 | V1101 | P1098-V1101 WeakPolarHBondContact O-CB 3.04Å |
| 1099 | I | 41.7 | Very low | 37.5 | Very low | 17 Ų | 17 | 84 Ų | 84 | 9% | 0.087 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -80.8 | -33.8 | 175.2 | -59.7 | 167.9 | 0 | 0 | 0 | 113.2 | P1097 V1101 L1102 A1103 I1134 L1140 L1215 | P1097-I1099 PolarHBondContact O-N 3.47Å; I1099-V1101 PolarHBondContact O-N 2.59Å; I1099-L1102 WeakPolarHBondContact O-CA 3.48Å; I1099-L1102 VanDerWaalsContact O-CB 3.31Å; I1099-L1102 WeakPolarHBondContact O-CB 3.41Å; I1099-L1102 PolarHBondContact O-N 2.73Å; I1099-A1103 PolarHBondContact O-N 3.34Å; I1099-A1103 VanDerWaalsContact O-N 3.08Å; I1099-I1134 HydrophobicContact CD1-CD1 3.84Å; I1099-I1134 HydrophobicContact CD1-CG1 3.75Å; I1099-L1140 HydrophobicContact CB-CD2 4.08Å; I1099-L1140 HydrophobicContact CD1-CD2 3.9Å; I1099-L1140 HydrophobicContact CG2-CD2 3.38Å; I1099-L1215 HydrophobicContact CD1-CD2 4.3Å |
| 1100 | D | 41.1 | Very low | 38.5 | Very low | 37 Ų | 37 | 86 Ų | 86 | 20% | 0.198 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.4 | -23.3 | 174.4 | -77.5 | -16.8 | 0 | 0 | 0 | 110.7 | I1096 P1097 A1103 Q1104 S1141 S1144 | I1096-D1100 HydrophobicContact CG2-CB 3.42Å; I1096-D1100 VanDerWaalsContact CG2-CB 3.42Å; P1097-D1100 HydrophobicContact CG-CB 4.16Å; P1097-D1100 VanDerWaalsContact CG-OD2 3.3Å; P1097-D1100 WeakPolarHBondContact CG-OD2 3.08Å; P1097-D1100 PolarHBondContact O-N 2.84Å; D1100-A1103 PolarHBondContact O-N 2.8Å; D1100-Q1104 PolarHBondContact O-N 3.23Å; D1100-S1141 PolarHBondContact OD1-OG 3.26Å; D1100-S1144 PolarHBondContact OD1-OG 3.43Å |
| 1101 | V | 39.7 | Very low | 39 | Very low | 31 Ų | 31 | 84.3 Ų | 84.3 | 19% | 0.188 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 168.1 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | I1093 I1096 P1098 I1099 A1103 Q1104 | I1093-V1101 HydrophobicContact CD1-CG1 4.28Å; I1093-V1101 HydrophobicContact CD1-CG2 3.87Å; I1093-V1101 HydrophobicContact CG1-CG2 4.14Å; I1096-V1101 HydrophobicContact CG2-CG2 4.12Å; P1098-V1101 WeakPolarHBondContact O-CB 3.04Å; I1099-V1101 PolarHBondContact O-N 2.59Å; V1101-A1103 VanDerWaalsContact C-N 3.34Å; V1101-Q1104 PolarHBondContact O-N 2.92Å |
| 1102 | L | 39.8 | Very low | 39.6 | Very low | 46 Ų | 46 | 75.5 Ų | 75.5 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | 174.7 | -70.4 | 169 | 0 | 0 | 0 | 111.7 | I1099 Q1104 M1105 V1112 W1147 | I1099-L1102 WeakPolarHBondContact O-CA 3.48Å; I1099-L1102 VanDerWaalsContact O-CB 3.31Å; I1099-L1102 WeakPolarHBondContact O-CB 3.41Å; I1099-L1102 PolarHBondContact O-N 2.73Å; L1102-Q1104 PolarHBondContact O-N 2.87Å; L1102-M1105 WeakPolarHBondContact O-CB 3.39Å; L1102-M1105 PolarHBondContact O-N 3.49Å; L1102-V1112 HydrophobicContact CD2-CG2 3.84Å; L1102-W1147 VanDerWaalsContact O-CH2 3.26Å; L1102-W1147 WeakPolarHBondContact O-CH2 3.33Å; L1102-W1147 WeakPolarHBondContact O-CZ2 3.46Å |
| 1103 | A | 45.5 | Very low | 40.1 | Very low | 23 Ų | 23 | 73.5 Ų | 73.5 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.2 | -22 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1099 D1100 V1101 M1105 S1144 W1147 | I1099-A1103 PolarHBondContact O-N 3.34Å; I1099-A1103 VanDerWaalsContact O-N 3.08Å; D1100-A1103 PolarHBondContact O-N 2.8Å; V1101-A1103 VanDerWaalsContact C-N 3.34Å; A1103-M1105 VanDerWaalsContact C-N 3.32Å; A1103-S1144 VanDerWaalsContact CB-OG 3.24Å; A1103-S1144 WeakPolarHBondContact CB-OG 3.46Å; A1103-W1147 HydrophobicContact CB-CB 4.45Å; A1103-W1147 HydrophobicContact CB-CD2 4.39Å; A1103-W1147 HydrophobicContact CB-CE3 4.41Å; A1103-W1147 HydrophobicContact CB-CG 4.41Å; A1103-W1147 PolarHBondContact O-NE1 2.85Å |
| 1104 | Q | 42.2 | Very low | 40.7 | Very low | 140 Ų | 140 | 74.1 Ų | 74.1 | 65% | 0.654 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.9 | 174.4 | -65.9 | -178.1 | 16.6 | 0 | 0 | 113.6 | D1100 V1101 L1102 | D1100-Q1104 PolarHBondContact O-N 3.23Å; V1101-Q1104 PolarHBondContact O-N 2.92Å; L1102-Q1104 PolarHBondContact O-N 2.87Å |
| 1105 | M | 39.2 | Very low | 40.9 | Very low | 80 Ų | 80 | 72.2 Ų | 72.2 | 39% | 0.394 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -85.1 | 142.7 | 179.5 | -62.5 | -149.9 | 163 | 0 | 0 | 112.2 | L1102 A1103 S1107 T1111 W1147 | L1102-M1105 WeakPolarHBondContact O-CB 3.39Å; L1102-M1105 PolarHBondContact O-N 3.49Å; A1103-M1105 VanDerWaalsContact C-N 3.32Å; M1105-S1107 VanDerWaalsContact C-N 3.32Å; M1105-S1107 PolarHBondContact O-N 3.36Å; M1105-T1111 HydrophobicContact CB-CG2 4.46Å; M1105-T1111 HydrophobicContact SD-CG2 3.94Å; M1105-W1147 WeakPolarHBondContact O-CZ2 3.49Å; M1105-W1147 PolarHBondContact O-NE1 2.86Å |
| 1106 | T | 50 | Low | 41.2 | Very low | 130 Ų | 130 | 65 Ų | 65 | 80% | 0.798 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -70.8 | -24.1 | -170.6 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1107 | S | 51.3 | Low | 41.5 | Very low | 26 Ų | 26 | 68.4 Ų | 68.4 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | trans | -158.1 | 131.9 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | M1105 R1110 T1111 | M1105-S1107 VanDerWaalsContact C-N 3.32Å; M1105-S1107 PolarHBondContact O-N 3.36Å; S1107-R1110 WeakPolarHBondContact OG-CB 3.16Å; S1107-T1111 PolarHBondContact O-OG1 3.31Å | ||
| 1108 | F | 54.3 | Low | 41.3 | Very low | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.009 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.3 | -38.9 | -178.4 | -172.1 | -97.3 | 0 | 0 | 0 | 112.8 | V1112 I1116 W1147 Q1151 M1155 L1211 I1212 | F1108-V1112 HydrophobicContact CD2-CG2 4.3Å; F1108-V1112 HydrophobicContact CE2-CG2 4.48Å; F1108-V1112 WeakPolarHBondContact O-CB 3.45Å; F1108-V1112 WeakPolarHBondContact O-CG2 3.46Å; F1108-V1112 PolarHBondContact O-N 3.27Å; F1108-I1116 HydrophobicContact CD1-CD1 3.89Å; F1108-I1116 HydrophobicContact CE1-CD1 3.4Å; F1108-I1116 HydrophobicContact CE1-CG1 4.43Å; F1108-I1116 HydrophobicContact CZ-CD1 4.14Å; F1108-W1147 HydrophobicContact CB-CH2 3.94Å; F1108-W1147 AromaticContact CD2-CH2 3.92Å; F1108-W1147 HydrophobicContact CD2-CH2 3.92Å; F1108-W1147 HydrophobicContact CD2-CZ3 4.09Å; F1108-W1147 HydrophobicContact CG-CH2 4.44Å; F1108-Q1151 HydrophobicContact CB-CG 4.34Å; F1108-M1155 HydrophobicContact CB-CE 3.81Å; F1108-M1155 HydrophobicContact CD1-CE 3.83Å; F1108-M1155 HydrophobicContact CG-CE 4.21Å; F1108-L1211 HydrophobicContact CZ-CD2 3.89Å; F1108-I1212 HydrophobicContact CD1-CD1 3.97Å; F1108-I1212 HydrophobicContact CD1-CG1 4.3Å; F1108-I1212 HydrophobicContact CE1-CD1 4.09Å; F1108-I1212 HydrophobicContact CE1-CG1 3.93Å; F1108-I1212 HydrophobicContact CE2-CG1 4.46Å; F1108-I1212 HydrophobicContact CG-CD1 4.31Å; F1108-I1212 HydrophobicContact CZ-CG1 4.02Å |
| 1109 | T | 51.9 | Low | 41.1 | Very low | 53 Ų | 53 | 68.9 Ų | 68.9 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.8 | -44.3 | -177.7 | 47.2 | 0 | 0 | 0 | 0 | 113.4 | T1111 G1113 M1155 | T1109-T1111 VanDerWaalsContact C-N 3.33Å; T1109-T1111 PolarHBondContact O-N 3.49Å; T1109-G1113 PolarHBondContact O-N 3.32Å; T1109-M1155 HydrophobicContact CG2-CE 3.84Å; T1109-M1155 HydrophobicContact CG2-CG 4.37Å; T1109-M1155 HydrophobicContact CG2-SD 3.96Å |
| 1110 | R | 44 | Very low | 40.8 | Very low | 226 Ų | 226 | 72.8 Ų | 72.8 | 85% | 0.853 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72.6 | -24.3 | -174 | -154.6 | 178.4 | -155.4 | -140.7 | 1.2 | 114 | S1107 | S1107-R1110 WeakPolarHBondContact OG-CB 3.16Å |
| 1111 | T | 37.9 | Very low | 40.3 | Very low | 60 Ų | 60 | 76.4 Ų | 76.4 | 37% | 0.368 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -104.5 | -34.7 | -172.2 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | M1105 S1107 T1109 | M1105-T1111 HydrophobicContact CB-CG2 4.46Å; M1105-T1111 HydrophobicContact SD-CG2 3.94Å; S1107-T1111 PolarHBondContact O-OG1 3.31Å; T1109-T1111 VanDerWaalsContact C-N 3.33Å; T1109-T1111 PolarHBondContact O-N 3.49Å |
| 1112 | V | 39.5 | Very low | 39.7 | Very low | 19 Ų | 19 | 75.6 Ų | 75.6 | 12% | 0.115 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -99.5 | 3.1 | -174.8 | -159.6 | 0 | 0 | 0 | 0 | 111.9 | L1102 F1108 S1114 Y1115 I1116 | L1102-V1112 HydrophobicContact CD2-CG2 3.84Å; F1108-V1112 HydrophobicContact CD2-CG2 4.3Å; F1108-V1112 HydrophobicContact CE2-CG2 4.48Å; F1108-V1112 WeakPolarHBondContact O-CB 3.45Å; F1108-V1112 WeakPolarHBondContact O-CG2 3.46Å; F1108-V1112 PolarHBondContact O-N 3.27Å; V1112-S1114 PolarHBondContact O-N 3.36Å; V1112-S1114 VanDerWaalsContact O-N 3.1Å; V1112-Y1115 HydrophobicContact CG1-CG 4.49Å; V1112-Y1115 CarbonylContact O-C 3.59Å; V1112-Y1115 WeakPolarHBondContact O-CA 3.34Å; V1112-Y1115 WeakPolarHBondContact O-CB 3.46Å; V1112-Y1115 PolarHBondContact O-N 3.47Å; V1112-I1116 HydrophobicContact CB-CD1 4.1Å; V1112-I1116 HydrophobicContact CB-CG1 4.15Å; V1112-I1116 HydrophobicContact CG1-CD1 4.29Å; V1112-I1116 HydrophobicContact CG1-CG1 3.87Å; V1112-I1116 WeakPolarHBondContact O-CG1 3.22Å; V1112-I1116 PolarHBondContact O-N 3.31Å |
| 1113 | G | 35.5 | Very low | 39.3 | Very low | 30 Ų | 30 | 78.1 Ų | 78.1 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -50.1 | -40.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1109 H1117 | T1109-G1113 PolarHBondContact O-N 3.32Å; G1113-H1117 PolarHBondContact O-N 3.37Å |
| 1114 | S | 37.3 | Very low | 38.6 | Very low | 87 Ų | 87 | 82.2 Ų | 82.2 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 176.1 | -16.6 | 0 | 0 | 0 | 0 | 112.5 | V1112 | V1112-S1114 PolarHBondContact O-N 3.36Å; V1112-S1114 VanDerWaalsContact O-N 3.1Å |
| 1115 | Y | 33.2 | Very low | 37.8 | Very low | 153 Ų | 153 | 78.8 Ų | 78.8 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -74.1 | -33.2 | 178.6 | -96.1 | -86.2 | 0 | 0 | 0 | 112.6 | V1112 W1118 L1119 | V1112-Y1115 HydrophobicContact CG1-CG 4.49Å; V1112-Y1115 CarbonylContact O-C 3.59Å; V1112-Y1115 WeakPolarHBondContact O-CA 3.34Å; V1112-Y1115 WeakPolarHBondContact O-CB 3.46Å; V1112-Y1115 PolarHBondContact O-N 3.47Å; Y1115-W1118 PolarHBondContact O-N 3.05Å; Y1115-L1119 PolarHBondContact O-N 3.24Å |
| 1116 | I | 37.9 | Very low | 37.3 | Very low | 8 Ų | 8 | 78.3 Ų | 78.3 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.4 | -37.1 | -178.8 | -69.3 | 179.7 | 0 | 0 | 0 | 111.6 | F1108 V1112 W1118 L1119 R1120 P1207 S1208 | F1108-I1116 HydrophobicContact CD1-CD1 3.89Å; F1108-I1116 HydrophobicContact CE1-CD1 3.4Å; F1108-I1116 HydrophobicContact CE1-CG1 4.43Å; F1108-I1116 HydrophobicContact CZ-CD1 4.14Å; V1112-I1116 HydrophobicContact CB-CD1 4.1Å; V1112-I1116 HydrophobicContact CB-CG1 4.15Å; V1112-I1116 HydrophobicContact CG1-CD1 4.29Å; V1112-I1116 HydrophobicContact CG1-CG1 3.87Å; V1112-I1116 WeakPolarHBondContact O-CG1 3.22Å; V1112-I1116 PolarHBondContact O-N 3.31Å; I1116-W1118 PolarHBondContact O-N 3.07Å; I1116-L1119 PolarHBondContact O-N 3.3Å; I1116-R1120 PolarHBondContact O-N 2.78Å; I1116-P1207 HydrophobicContact CG2-CB 4.1Å; I1116-S1208 VanDerWaalsContact CD1-OG 3.23Å; I1116-S1208 WeakPolarHBondContact CD1-OG 3.34Å |
| 1117 | H | 34.9 | Very low | 36.1 | Very low | 126 Ų | 126 | 77.1 Ų | 77.1 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.2 | -32.8 | 174.5 | -96.8 | -72 | 0 | 0 | 0 | 112.2 | G1113 | G1113-H1117 PolarHBondContact O-N 3.37Å |
| 1118 | W | 33.9 | Very low | 35 | Very low | 117 Ų | 117 | 77.8 Ų | 77.8 | 44% | 0.443 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.2 | -34.3 | 175.8 | 176.3 | 77.2 | 0 | 0 | 0 | 112.9 | S916 Y1115 I1116 I1131 | S916-W1118 WeakPolarHBondContact OG-CZ2 3.2Å; Y1115-W1118 PolarHBondContact O-N 3.05Å; I1116-W1118 PolarHBondContact O-N 3.07Å; W1118-I1131 HydrophobicContact CH2-CD1 3.5Å; W1118-I1131 HydrophobicContact CH2-CG2 4.26Å; W1118-I1131 HydrophobicContact CZ2-CD1 4.12Å; W1118-I1131 HydrophobicContact CZ3-CG2 4.36Å |
| 1119 | L | 33.2 | Very low | 33.7 | Very low | 36 Ų | 36 | 80.7 Ų | 80.7 | 19% | 0.188 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -78.5 | -14.6 | 177.4 | -78 | 152.7 | 0 | 0 | 0 | 114.5 | Y1115 I1116 D1121 V1128 L1211 | Y1115-L1119 PolarHBondContact O-N 3.24Å; I1116-L1119 PolarHBondContact O-N 3.3Å; L1119-D1121 VanDerWaalsContact C-N 3.33Å; L1119-D1121 PolarHBondContact O-N 2.93Å; L1119-V1128 HydrophobicContact CD2-CG1 3.56Å; L1119-L1211 HydrophobicContact CB-CD1 3.81Å; L1119-L1211 HydrophobicContact CD1-CD1 3.56Å; L1119-L1211 HydrophobicContact CG-CD1 4.12Å |
| 1120 | R | 34.9 | Very low | 32.7 | Very low | 98 Ų | 98 | 79.6 Ų | 79.6 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -38 | -176.5 | -169.6 | -173 | 72.3 | 177.5 | -1 | 113 | I1116 G1122 P1207 | I1116-R1120 PolarHBondContact O-N 2.78Å; R1120-G1122 VanDerWaalsContact C-N 3.31Å; R1120-G1122 PolarHBondContact O-N 3.36Å; R1120-P1207 HydrophobicContact CB-CG 4.47Å; R1120-P1207 HydrophobicContact CG-CB 4.38Å; R1120-P1207 HydrophobicContact CG-CG 3.93Å |
| 1121 | D | 30 | Very low | 32 | Very low | 113 Ų | 113 | 73.5 Ų | 73.5 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 14.5 | -168.3 | -67.5 | -4.5 | 0 | 0 | 0 | 113.6 | L1119 P1123 | L1119-D1121 VanDerWaalsContact C-N 3.33Å; L1119-D1121 PolarHBondContact O-N 2.93Å; D1121-P1123 VanDerWaalsContact O-CD 3.28Å; D1121-P1123 WeakPolarHBondContact O-CD 3.44Å |
| 1122 | G | 28.1 | Very low | 31.6 | Very low | 15 Ų | 15 | 73.6 Ų | 73.6 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | trans | -111.8 | 59 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1120 S1124 | R1120-G1122 VanDerWaalsContact C-N 3.31Å; R1120-G1122 PolarHBondContact O-N 3.36Å; G1122-S1124 VanDerWaalsContact C-N 3.33Å | ||
| 1123 | P | 29.6 | Very low | 31.2 | Very low | 98 Ų | 98 | 78.2 Ų | 78.2 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -79.5 | -11.1 | 175.5 | 32.1 | -34.1 | 0 | 0 | 0 | 113.9 | D1121 | D1121-P1123 VanDerWaalsContact O-CD 3.28Å; D1121-P1123 WeakPolarHBondContact O-CD 3.44Å |
| 1124 | S | 30.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 78.9 Ų | 78.9 | 76% | 0.762 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -122.5 | 3.7 | -170.3 | 54.4 | 0 | 0 | 0 | 0 | 116.5 | G1122 | G1122-S1124 VanDerWaalsContact C-N 3.33Š|
| 1125 | R | 26.8 | Very low | 30.9 | Very low | 68 Ų | 68 | 78.4 Ų | 78.4 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | trans | -105.5 | 113 | 179.7 | -64.6 | -175 | -170.8 | -91.3 | -13.2 | 110.2 | G918 S921 N922 H1127 V1128 | G918-R1125 PolarHBondContact O-NE 3.49Å; G918-R1125 VanDerWaalsContact O-NE 3.08Å; G918-R1125 PolarHBondContact O-NH1 2.92Å; G918-R1125 VanDerWaalsContact O-NH1 3.11Å; G918-R1125 PolarHBondContact O-NH2 3.08Å; S921-R1125 PolarHBondContact OG-NH1 3.3Å; N922-R1125 PolarHBondContact ND2-NH2 3.46Å; N922-R1125 PolarHBondContact OD1-NH1 3.17Å; N922-R1125 PolarHBondContact OD1-NH2 3.48Å; R1125-H1127 PolarHBondContact O-N 3.47Å; R1125-V1128 HydrophobicContact CB-CG2 4.38Å; R1125-V1128 PolarHBondContact O-N 3.25Å; R1125-V1128 VanDerWaalsContact O-N 3.11Å | ||
| 1126 | S | 27.4 | Very low | 31.2 | Very low | 70 Ų | 70 | 75.4 Ų | 75.4 | 49% | 0.49 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -32.5 | 172.2 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | V1128 T1129 | S1126-V1128 PolarHBondContact O-N 2.86Å; S1126-T1129 PolarHBondContact O-N 3.43Å; S1126-T1129 PolarHBondContact O-OG1 3.38Å |
| 1127 | H | 26.5 | Very low | 31.3 | Very low | 106 Ų | 106 | 79.7 Ų | 79.7 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -0.2 | -175.8 | -65.8 | -78.4 | 0 | 0 | 0 | 117.1 | R1125 T1129 G1130 | R1125-H1127 PolarHBondContact O-N 3.47Å; H1127-T1129 PolarHBondContact O-N 3.04Å; H1127-G1130 WeakPolarHBondContact O-CA 3.47Å; H1127-G1130 PolarHBondContact O-N 3.47Å |
| 1128 | V | 27.3 | Very low | 31.8 | Very low | 39 Ų | 39 | 75.1 Ų | 75.1 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.6 | -23.9 | 164.6 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | L1119 R1125 S1126 G1130 I1131 L1132 | L1119-V1128 HydrophobicContact CD2-CG1 3.56Å; R1125-V1128 HydrophobicContact CB-CG2 4.38Å; R1125-V1128 PolarHBondContact O-N 3.25Å; R1125-V1128 VanDerWaalsContact O-N 3.11Å; S1126-V1128 PolarHBondContact O-N 2.86Å; V1128-G1130 PolarHBondContact O-N 3.19Å; V1128-I1131 PolarHBondContact O-N 3.3Å; V1128-L1132 PolarHBondContact O-N 3.08Å |
| 1129 | T | 28 | Very low | 32.8 | Very low | 63 Ų | 63 | 72.1 Ų | 72.1 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.7 | -14.8 | 167.2 | 66 | 0 | 0 | 0 | 0 | 113.7 | S1126 H1127 L1132 N1133 | S1126-T1129 PolarHBondContact O-N 3.43Å; S1126-T1129 PolarHBondContact O-OG1 3.38Å; H1127-T1129 PolarHBondContact O-N 3.04Å; T1129-L1132 CarbonylContact O-C 3.58Å; T1129-L1132 VanDerWaalsContact O-O 3.07Å; T1129-N1133 VanDerWaalsContact O-CA 3.27Å; T1129-N1133 WeakPolarHBondContact O-CA 3.26Å; T1129-N1133 PolarHBondContact O-N 2.94Å; T1129-N1133 PolarHBondContact O-OD1 3.28Å |
| 1130 | G | 29.9 | Very low | 34 | Very low | 30 Ų | 30 | 71 Ų | 71 | 31% | 0.309 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -79.3 | -29.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | H1127 V1128 L1132 N1133 | H1127-G1130 WeakPolarHBondContact O-CA 3.47Å; H1127-G1130 PolarHBondContact O-N 3.47Å; V1128-G1130 PolarHBondContact O-N 3.19Å; G1130-L1132 VanDerWaalsContact C-N 3.35Å; G1130-N1133 VanDerWaalsContact C-N 3.34Å; G1130-N1133 WeakPolarHBondContact O-CB 3.38Å; G1130-N1133 PolarHBondContact O-N 3.08Å; G1130-N1133 VanDerWaalsContact O-N 3.08Å |
| 1131 | I | 30 | Very low | 35.5 | Very low | 99 Ų | 99 | 67.8 Ų | 67.8 | 51% | 0.508 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -81.2 | -26.8 | 174.2 | -66.5 | 171.9 | 0 | 0 | 0 | 110.5 | W1118 V1128 N1133 | W1118-I1131 HydrophobicContact CH2-CD1 3.5Å; W1118-I1131 HydrophobicContact CH2-CG2 4.26Å; W1118-I1131 HydrophobicContact CZ2-CD1 4.12Å; W1118-I1131 HydrophobicContact CZ3-CG2 4.36Å; V1128-I1131 PolarHBondContact O-N 3.3Å; I1131-N1133 VanDerWaalsContact C-N 3.31Å |
| 1132 | L | 29.9 | Very low | 37.1 | Very low | 62 Ų | 62 | 64.8 Ų | 64.8 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 37.8 | 159 | -66.1 | 170.6 | 0 | 0 | 0 | 110.5 | V1128 T1129 G1130 I1134 L1215 | V1128-L1132 PolarHBondContact O-N 3.08Å; T1129-L1132 CarbonylContact O-C 3.58Å; T1129-L1132 VanDerWaalsContact O-O 3.07Å; G1130-L1132 VanDerWaalsContact C-N 3.35Å; L1132-I1134 PolarHBondContact O-N 3.13Å; L1132-L1215 HydrophobicContact CD1-CD2 3.87Å; L1132-L1215 HydrophobicContact CD2-CD2 4.05Å; L1132-L1215 HydrophobicContact CG-CD2 4.46Å |
| 1133 | N | 30.4 | Very low | 39 | Very low | 116 Ų | 116 | 71.7 Ų | 71.7 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | trans | -67.8 | 81.8 | 165.1 | -104.3 | -13.6 | 0 | 0 | 0 | 104.9 | T1129 G1130 I1131 P1135 | T1129-N1133 VanDerWaalsContact O-CA 3.27Å; T1129-N1133 WeakPolarHBondContact O-CA 3.26Å; T1129-N1133 PolarHBondContact O-N 2.94Å; T1129-N1133 PolarHBondContact O-OD1 3.28Å; G1130-N1133 VanDerWaalsContact C-N 3.34Å; G1130-N1133 WeakPolarHBondContact O-CB 3.38Å; G1130-N1133 PolarHBondContact O-N 3.08Å; G1130-N1133 VanDerWaalsContact O-N 3.08Å; I1131-N1133 VanDerWaalsContact C-N 3.31Å; N1133-P1135 VanDerWaalsContact C-N 3.31Å; N1133-P1135 WeakPolarHBondContact O-CD 3.37Å; N1133-P1135 VanDerWaalsContact O-N 3.1Å | ||
| 1134 | I | 32.9 | Very low | 40.8 | Very low | 43 Ų | 43 | 67.1 Ų | 67.1 | 22% | 0.221 | 39% | 0.387 | C | S | . | . | trans | -54.9 | 107.1 | 148.3 | -59.4 | 167.2 | 0 | 0 | 0 | 101.8 | I1099 L1132 S1136 S1138 L1215 | I1099-I1134 HydrophobicContact CD1-CD1 3.84Å; I1099-I1134 HydrophobicContact CD1-CG1 3.75Å; L1132-I1134 PolarHBondContact O-N 3.13Å; I1134-S1136 PolarHBondContact O-N 2.86Å; I1134-S1138 WeakPolarHBondContact CG2-O 3.2Å; I1134-L1215 HydrophobicContact CD1-CD2 4.4Å | ||
| 1135 | P | 32.6 | Very low | 42.7 | Very low | 78 Ų | 78 | 62 Ų | 62 | 51% | 0.506 | 35% | 0.35 | S | S | . | . | trans | -50.6 | 138.2 | 170.4 | 20.7 | -28.2 | 0 | 0 | 0 | 105.7 | N1133 D1137 S1138 | N1133-P1135 VanDerWaalsContact C-N 3.31Å; N1133-P1135 WeakPolarHBondContact O-CD 3.37Å; N1133-P1135 VanDerWaalsContact O-N 3.1Å; P1135-D1137 PolarHBondContact O-N 3.48Å; P1135-S1138 PolarHBondContact O-N 2.89Å | ||
| 1136 | S | 39.1 | Very low | 44.9 | Very low | 90 Ų | 90 | 59.4 Ų | 59.4 | 63% | 0.629 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -16.9 | -177.5 | 44.5 | 0 | 0 | 0 | 0 | 113.4 | I1134 | I1134-S1136 PolarHBondContact O-N 2.86Š|
| 1137 | D | 40.6 | Very low | 47.3 | Very low | 97 Ų | 97 | 57.9 Ų | 57.9 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -15.1 | -179.5 | -56.8 | -10.1 | 0 | 0 | 0 | 114.2 | P1135 | P1135-D1137 PolarHBondContact O-N 3.48Š|
| 1138 | S | 45.8 | Very low | 49.5 | Very low | 31 Ų | 31 | 53 Ų | 53 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | trans | -102.8 | 68.7 | -177.5 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | P1097 I1134 P1135 | P1097-S1138 WeakPolarHBondContact CB-OG 3.4Å; I1134-S1138 WeakPolarHBondContact CG2-O 3.2Å; P1135-S1138 PolarHBondContact O-N 2.89Å | ||
| 1139 | L | 54.8 | Low | 51.9 | Low | 54 Ų | 54 | 51.2 Ų | 51.2 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 144.9 | 169.2 | -71.7 | 123.1 | 0 | 0 | 0 | 110.9 | S1141 S1245 R1246 | L1139-S1141 PolarHBondContact O-N 2.99Å; L1139-S1245 WeakPolarHBondContact CD1-OG 3.36Å; L1139-R1246 HydrophobicContact CD2-CG 4.12Å |
| 1140 | L | 59 | Low | 54.4 | Low | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 133.1 | 174.4 | -70.5 | 170.8 | 0 | 0 | 0 | 110 | I1099 C1145 L1148 | I1099-L1140 HydrophobicContact CB-CD2 4.08Å; I1099-L1140 HydrophobicContact CD1-CD2 3.9Å; I1099-L1140 HydrophobicContact CG2-CD2 3.38Å; L1140-C1145 WeakPolarHBondContact CB-SG 3.43Å; L1140-L1148 HydrophobicContact CD1-CD1 4.2Å |
| 1141 | S | 66.1 | Low | 56.6 | Low | 30 Ų | 30 | 53.4 Ų | 53.4 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 145.5 | 169.8 | 67.2 | 0 | 0 | 0 | 0 | 109.6 | D1100 L1139 E1143 S1144 C1145 | D1100-S1141 PolarHBondContact OD1-OG 3.26Å; L1139-S1141 PolarHBondContact O-N 2.99Å; S1141-E1143 PolarHBondContact O-N 3.5Å; S1141-E1143 VanDerWaalsContact O-N 3.13Å; S1141-S1144 PolarHBondContact O-N 3.29Å; S1141-S1144 VanDerWaalsContact OG-CB 3.29Å; S1141-S1144 WeakPolarHBondContact OG-CB 3.31Å; S1141-S1144 PolarHBondContact OG-N 3.32Å; S1141-S1144 PolarHBondContact OG-OG 3.3Å; S1141-C1145 PolarHBondContact O-N 3.33Å |
| 1142 | P | 64.4 | Low | 59 | Low | 49 Ų | 49 | 48.7 Ų | 48.7 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.5 | -33 | 177.4 | -25.3 | 33.3 | 0 | 0 | 0 | 112.7 | C1145 S1146 E1252 | P1142-C1145 PolarHBondContact O-N 3.28Å; P1142-S1146 PolarHBondContact O-N 2.7Å; P1142-E1252 HydrophobicContact CB-CG 4.28Å |
| 1143 | E | 66.8 | Low | 61.3 | Low | 161 Ų | 161 | 49.4 Ų | 49.4 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.5 | -44.6 | 176.6 | -62 | -175 | 177 | 0 | 0 | 112.1 | S1141 C1145 S1146 W1147 | S1141-E1143 PolarHBondContact O-N 3.5Å; S1141-E1143 VanDerWaalsContact O-N 3.13Å; E1143-C1145 VanDerWaalsContact C-N 3.35Å; E1143-C1145 PolarHBondContact O-N 3.4Å; E1143-S1146 WeakPolarHBondContact O-CB 3.49Å; E1143-S1146 PolarHBondContact O-N 3.14Å; E1143-W1147 WeakPolarHBondContact O-CB 3.49Å; E1143-W1147 PolarHBondContact O-N 3.28Å |
| 1144 | S | 68.9 | Low | 63.5 | Low | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 174.7 | -73.5 | 0 | 0 | 0 | 0 | 112.1 | D1100 A1103 S1141 W1147 L1148 | D1100-S1144 PolarHBondContact OD1-OG 3.43Å; A1103-S1144 VanDerWaalsContact CB-OG 3.24Å; A1103-S1144 WeakPolarHBondContact CB-OG 3.46Å; S1141-S1144 PolarHBondContact O-N 3.29Å; S1141-S1144 VanDerWaalsContact OG-CB 3.29Å; S1141-S1144 WeakPolarHBondContact OG-CB 3.31Å; S1141-S1144 PolarHBondContact OG-N 3.32Å; S1141-S1144 PolarHBondContact OG-OG 3.3Å; S1144-W1147 PolarHBondContact O-N 2.88Å; S1144-L1148 WeakPolarHBondContact O-CG 3.31Å; S1144-L1148 PolarHBondContact O-N 3.3Å |
| 1145 | C | 70.6 | Confident | 65.4 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 172 | -73.9 | 0 | 0 | 0 | 0 | 112 | L1140 S1141 P1142 E1143 W1147 L1148 I1149 | L1140-C1145 WeakPolarHBondContact CB-SG 3.43Å; S1141-C1145 PolarHBondContact O-N 3.33Å; P1142-C1145 PolarHBondContact O-N 3.28Å; E1143-C1145 VanDerWaalsContact C-N 3.35Å; E1143-C1145 PolarHBondContact O-N 3.4Å; C1145-W1147 VanDerWaalsContact C-N 3.29Å; C1145-W1147 PolarHBondContact O-N 3Å; C1145-L1148 PolarHBondContact O-N 3.26Å; C1145-I1149 VanDerWaalsContact O-CG1 3.31Å; C1145-I1149 WeakPolarHBondContact O-CG1 3.5Å; C1145-I1149 PolarHBondContact O-N 2.93Å; C1145-I1149 VanDerWaalsContact O-N 3.08Å |
| 1146 | S | 73.1 | Confident | 67.4 | Low | 14 Ų | 14 | 42.8 Ų | 42.8 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -41.4 | 177 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | P1142 E1143 K1150 M1256 | P1142-S1146 PolarHBondContact O-N 2.7Å; E1143-S1146 WeakPolarHBondContact O-CB 3.49Å; E1143-S1146 PolarHBondContact O-N 3.14Å; S1146-K1150 WeakPolarHBondContact O-CG 3.24Å; S1146-K1150 PolarHBondContact O-N 3.49Å; S1146-K1150 VanDerWaalsContact O-N 3.16Å; S1146-M1256 PolarHBondContact OG-SD 2.87Å; S1146-M1256 VanDerWaalsContact OG-SD 3.36Å |
| 1147 | W | 76.9 | Confident | 69 | Low | 39 Ų | 39 | 42 Ų | 42 | 15% | 0.148 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -48.2 | 176.6 | -178.3 | 91.3 | 0 | 0 | 0 | 112.2 | L1102 A1103 M1105 F1108 E1143 S1144 C1145 I1149 K1150 Q1151 | L1102-W1147 VanDerWaalsContact O-CH2 3.26Å; L1102-W1147 WeakPolarHBondContact O-CH2 3.33Å; L1102-W1147 WeakPolarHBondContact O-CZ2 3.46Å; A1103-W1147 HydrophobicContact CB-CB 4.45Å; A1103-W1147 HydrophobicContact CB-CD2 4.39Å; A1103-W1147 HydrophobicContact CB-CE3 4.41Å; A1103-W1147 HydrophobicContact CB-CG 4.41Å; A1103-W1147 PolarHBondContact O-NE1 2.85Å; M1105-W1147 WeakPolarHBondContact O-CZ2 3.49Å; M1105-W1147 PolarHBondContact O-NE1 2.86Å; F1108-W1147 HydrophobicContact CB-CH2 3.94Å; F1108-W1147 AromaticContact CD2-CH2 3.92Å; F1108-W1147 HydrophobicContact CD2-CH2 3.92Å; F1108-W1147 HydrophobicContact CD2-CZ3 4.09Å; F1108-W1147 HydrophobicContact CG-CH2 4.44Å; E1143-W1147 WeakPolarHBondContact O-CB 3.49Å; E1143-W1147 PolarHBondContact O-N 3.28Å; S1144-W1147 PolarHBondContact O-N 2.88Å; C1145-W1147 VanDerWaalsContact C-N 3.29Å; C1145-W1147 PolarHBondContact O-N 3Å; W1147-I1149 VanDerWaalsContact C-N 3.3Å; W1147-I1149 PolarHBondContact O-N 2.91Å; W1147-K1150 WeakPolarHBondContact O-CB 3.19Å; W1147-K1150 PolarHBondContact O-N 3.26Å; W1147-K1150 VanDerWaalsContact O-N 3.12Å; W1147-Q1151 HydrophobicContact CD2-CG 3.89Å; W1147-Q1151 HydrophobicContact CE3-CG 4.07Å; W1147-Q1151 HydrophobicContact CH2-CG 3.92Å; W1147-Q1151 HydrophobicContact CZ2-CG 3.71Å; W1147-Q1151 HydrophobicContact CZ3-CG 4.1Å; W1147-Q1151 WeakPolarHBondContact O-CG 3.08Å; W1147-Q1151 PolarHBondContact O-N 3.13Å |
| 1148 | L | 73.1 | Confident | 70.4 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -39.5 | 178.5 | -74.6 | 171.4 | 0 | 0 | 0 | 112.4 | L1140 S1144 C1145 Q1151 L1152 I1212 L1216 | L1140-L1148 HydrophobicContact CD1-CD1 4.2Å; S1144-L1148 WeakPolarHBondContact O-CG 3.31Å; S1144-L1148 PolarHBondContact O-N 3.3Å; C1145-L1148 PolarHBondContact O-N 3.26Å; L1148-Q1151 PolarHBondContact O-N 3.29Å; L1148-L1152 PolarHBondContact O-N 3.4Å; L1148-I1212 HydrophobicContact CB-CG2 4.27Å; L1148-I1212 HydrophobicContact CD2-CG1 4.26Å; L1148-I1212 HydrophobicContact CD2-CG2 4.34Å; L1148-L1216 HydrophobicContact CD1-CD2 4.42Å |
| 1149 | I | 77.7 | Confident | 72 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.5 | -65 | 166.8 | 0 | 0 | 0 | 111 | C1145 W1147 Q1151 L1152 Q1153 I1253 M1256 | C1145-I1149 VanDerWaalsContact O-CG1 3.31Å; C1145-I1149 WeakPolarHBondContact O-CG1 3.5Å; C1145-I1149 PolarHBondContact O-N 2.93Å; C1145-I1149 VanDerWaalsContact O-N 3.08Å; W1147-I1149 VanDerWaalsContact C-N 3.3Å; W1147-I1149 PolarHBondContact O-N 2.91Å; I1149-Q1151 VanDerWaalsContact C-N 3.32Å; I1149-Q1151 PolarHBondContact O-N 2.88Å; I1149-L1152 PolarHBondContact O-N 3.33Å; I1149-Q1153 WeakPolarHBondContact O-CG 3.36Å; I1149-Q1153 PolarHBondContact O-N 3.06Å; I1149-I1253 HydrophobicContact CD1-CB 4.18Å; I1149-I1253 HydrophobicContact CD1-CG1 3.87Å; I1149-I1253 HydrophobicContact CD1-CG2 4.4Å; I1149-M1256 HydrophobicContact CD1-CB 4.15Å; I1149-M1256 HydrophobicContact CG2-CB 4.35Å |
| 1150 | K | 80 | Confident | 72.9 | Confident | 113 Ų | 113 | 40 Ų | 40 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -41 | 175.3 | -73.9 | 171.8 | -176.3 | 164.9 | 0 | 111.7 | S1146 W1147 Q1153 T1154 | S1146-K1150 WeakPolarHBondContact O-CG 3.24Å; S1146-K1150 PolarHBondContact O-N 3.49Å; S1146-K1150 VanDerWaalsContact O-N 3.16Å; W1147-K1150 WeakPolarHBondContact O-CB 3.19Å; W1147-K1150 PolarHBondContact O-N 3.26Å; W1147-K1150 VanDerWaalsContact O-N 3.12Å; K1150-Q1153 PolarHBondContact O-N 2.9Å; K1150-T1154 PolarHBondContact O-N 2.96Å; K1150-T1154 PolarHBondContact O-OG1 2.91Å |
| 1151 | Q | 76.3 | Confident | 73.5 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 175.3 | -62.2 | -62.6 | -47.1 | 0 | 0 | 111.5 | F1108 W1147 L1148 I1149 T1154 M1155 I1212 | F1108-Q1151 HydrophobicContact CB-CG 4.34Å; W1147-Q1151 HydrophobicContact CD2-CG 3.89Å; W1147-Q1151 HydrophobicContact CE3-CG 4.07Å; W1147-Q1151 HydrophobicContact CH2-CG 3.92Å; W1147-Q1151 HydrophobicContact CZ2-CG 3.71Å; W1147-Q1151 HydrophobicContact CZ3-CG 4.1Å; W1147-Q1151 WeakPolarHBondContact O-CG 3.08Å; W1147-Q1151 PolarHBondContact O-N 3.13Å; L1148-Q1151 PolarHBondContact O-N 3.29Å; I1149-Q1151 VanDerWaalsContact C-N 3.32Å; I1149-Q1151 PolarHBondContact O-N 2.88Å; Q1151-T1154 WeakPolarHBondContact CA-OG1 3.37Å; Q1151-T1154 PolarHBondContact O-N 3.49Å; Q1151-T1154 PolarHBondContact O-OG1 3.39Å; Q1151-M1155 HydrophobicContact CB-CE 4.1Å; Q1151-M1155 WeakPolarHBondContact O-CG 3.31Å; Q1151-M1155 PolarHBondContact O-N 3.21Å; Q1151-I1212 HydrophobicContact CB-CD1 4.39Å |
| 1152 | L | 79.4 | Confident | 73.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.1 | -174.2 | 68.6 | 0 | 0 | 0 | 112.3 | L1148 I1149 T1154 M1155 T1156 I1209 I1212 L1213 T1261 F1262 L1265 | L1148-L1152 PolarHBondContact O-N 3.4Å; I1149-L1152 PolarHBondContact O-N 3.33Å; L1152-T1154 VanDerWaalsContact C-N 3.31Å; L1152-T1154 PolarHBondContact O-N 2.96Å; L1152-M1155 PolarHBondContact O-N 3.48Å; L1152-T1156 PolarHBondContact O-N 2.93Å; L1152-T1156 PolarHBondContact O-OG1 3.49Å; L1152-I1209 HydrophobicContact CD1-CG2 3.92Å; L1152-I1212 HydrophobicContact CB-CG2 4.41Å; L1152-L1213 HydrophobicContact CD2-CD2 4.01Å; L1152-T1261 HydrophobicContact CD2-CG2 4.35Å; L1152-T1261 HydrophobicContact CG-CG2 4.41Å; L1152-F1262 HydrophobicContact CD2-CD1 3.94Å; L1152-F1262 HydrophobicContact CD2-CE1 3.51Å; L1152-L1265 HydrophobicContact CD1-CD1 4.15Å; L1152-L1265 HydrophobicContact CD2-CD1 4.12Å; L1152-L1265 HydrophobicContact CG-CD1 4.14Å |
| 1153 | Q | 80.1 | Confident | 73.8 | Confident | 76 Ų | 76 | 39.9 Ų | 39.9 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 175.3 | -74.9 | 172.3 | -4.1 | 0 | 0 | 111.7 | I1149 K1150 T1156 M1256 T1261 | I1149-Q1153 WeakPolarHBondContact O-CG 3.36Å; I1149-Q1153 PolarHBondContact O-N 3.06Å; K1150-Q1153 PolarHBondContact O-N 2.9Å; Q1153-T1156 WeakPolarHBondContact O-CB 3.38Å; Q1153-T1156 PolarHBondContact O-N 3.43Å; Q1153-M1256 PolarHBondContact NE2-O 2.89Å; Q1153-T1261 HydrophobicContact CG-CG2 3.62Å; Q1153-T1261 WeakPolarHBondContact CG-OG1 3.36Å; Q1153-T1261 PolarHBondContact NE2-OG1 3.28Å; Q1153-T1261 VanDerWaalsContact NE2-OG1 3.09Å |
| 1154 | T | 76.6 | Confident | 74 | Confident | 84 Ų | 84 | 37.4 Ų | 37.4 | 52% | 0.515 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.8 | -37.2 | 175.7 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | K1150 Q1151 L1152 T1156 S1157 | K1150-T1154 PolarHBondContact O-N 2.96Å; K1150-T1154 PolarHBondContact O-OG1 2.91Å; Q1151-T1154 WeakPolarHBondContact CA-OG1 3.37Å; Q1151-T1154 PolarHBondContact O-N 3.49Å; Q1151-T1154 PolarHBondContact O-OG1 3.39Å; L1152-T1154 VanDerWaalsContact C-N 3.31Å; L1152-T1154 PolarHBondContact O-N 2.96Å; T1154-T1156 VanDerWaalsContact C-N 3.26Å; T1154-T1156 PolarHBondContact O-N 3.34Å; T1154-S1157 PolarHBondContact O-OG 2.71Å; T1154-S1157 VanDerWaalsContact O-OG 3.09Å |
| 1155 | M | 72 | Confident | 73.9 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.4 | -16.7 | 178.4 | -69 | -176.5 | -141.3 | 0 | 0 | 113.3 | F1108 T1109 Q1151 L1152 S1157 E1158 F1159 I1209 I1212 | F1108-M1155 HydrophobicContact CB-CE 3.81Å; F1108-M1155 HydrophobicContact CD1-CE 3.83Å; F1108-M1155 HydrophobicContact CG-CE 4.21Å; T1109-M1155 HydrophobicContact CG2-CE 3.84Å; T1109-M1155 HydrophobicContact CG2-CG 4.37Å; T1109-M1155 HydrophobicContact CG2-SD 3.96Å; Q1151-M1155 HydrophobicContact CB-CE 4.1Å; Q1151-M1155 WeakPolarHBondContact O-CG 3.31Å; Q1151-M1155 PolarHBondContact O-N 3.21Å; L1152-M1155 PolarHBondContact O-N 3.48Å; M1155-S1157 VanDerWaalsContact C-N 3.25Å; M1155-S1157 PolarHBondContact O-N 3.11Å; M1155-E1158 PolarHBondContact O-N 3.32Å; M1155-F1159 WeakPolarHBondContact O-CB 3.47Å; M1155-F1159 PolarHBondContact O-N 2.8Å; M1155-I1209 HydrophobicContact CB-CD1 4.25Å; M1155-I1209 HydrophobicContact CB-CG1 4.02Å; M1155-I1209 HydrophobicContact SD-CG1 4.2Å; M1155-I1212 HydrophobicContact CE-CD1 3.59Å; M1155-I1212 HydrophobicContact SD-CD1 4.09Å |
| 1156 | T | 74.1 | Confident | 73.6 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -27.1 | -179.5 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | L1152 Q1153 T1154 N1160 L1265 K1268 | L1152-T1156 PolarHBondContact O-N 2.93Å; L1152-T1156 PolarHBondContact O-OG1 3.49Å; Q1153-T1156 WeakPolarHBondContact O-CB 3.38Å; Q1153-T1156 PolarHBondContact O-N 3.43Å; T1154-T1156 VanDerWaalsContact C-N 3.26Å; T1154-T1156 PolarHBondContact O-N 3.34Å; T1156-N1160 PolarHBondContact O-N 3.41Å; T1156-N1160 PolarHBondContact O-OD1 3.25Å; T1156-L1265 HydrophobicContact CG2-CD2 3.78Å; T1156-L1265 HydrophobicContact CG2-CG 4.24Å; T1156-K1268 HydrophobicContact CG2-CD 4.46Å; T1156-K1268 VanDerWaalsContact CG2-NZ 3.26Å |
| 1157 | S | 72.8 | Confident | 73.1 | Confident | 73 Ų | 73 | 41 Ų | 41 | 51% | 0.51 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -76.8 | -40.8 | 172.1 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | T1154 M1155 F1159 N1160 D1161 | T1154-S1157 PolarHBondContact O-OG 2.71Å; T1154-S1157 VanDerWaalsContact O-OG 3.09Å; M1155-S1157 VanDerWaalsContact C-N 3.25Å; M1155-S1157 PolarHBondContact O-N 3.11Å; S1157-F1159 PolarHBondContact O-N 3.13Å; S1157-N1160 WeakPolarHBondContact O-CB 3.35Å; S1157-N1160 PolarHBondContact O-N 3.31Å; S1157-D1161 PolarHBondContact O-N 2.99Å |
| 1158 | E | 70.9 | Confident | 72.1 | Confident | 92 Ų | 92 | 41.2 Ų | 41.2 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 176.8 | -61.9 | -178.8 | 170.5 | 0 | 0 | 111.4 | M1155 D1161 A1162 | M1155-E1158 PolarHBondContact O-N 3.32Å; E1158-D1161 PolarHBondContact O-N 3.43Å; E1158-A1162 PolarHBondContact O-N 3.3Å; E1158-A1162 VanDerWaalsContact O-N 3.1Å |
| 1159 | F | 77.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.2 | -173.8 | -117.3 | 0 | 0 | 0 | 113 | M1155 S1157 A1162 L1163 I1205 I1209 L1265 L1269 I1306 | M1155-F1159 WeakPolarHBondContact O-CB 3.47Å; M1155-F1159 PolarHBondContact O-N 2.8Å; S1157-F1159 PolarHBondContact O-N 3.13Å; F1159-A1162 WeakPolarHBondContact O-CB 3.46Å; F1159-A1162 PolarHBondContact O-N 2.9Å; F1159-L1163 HydrophobicContact CD1-CD1 3.98Å; F1159-L1163 HydrophobicContact CD1-CG 4.44Å; F1159-L1163 HydrophobicContact CE1-CD1 3.5Å; F1159-L1163 HydrophobicContact CE1-CG 4.08Å; F1159-L1163 HydrophobicContact CE2-CD2 4.31Å; F1159-L1163 HydrophobicContact CE2-CG 4.3Å; F1159-L1163 HydrophobicContact CZ-CD1 3.84Å; F1159-L1163 HydrophobicContact CZ-CD2 4Å; F1159-L1163 HydrophobicContact CZ-CG 3.99Å; F1159-L1163 WeakPolarHBondContact O-CG 3.49Å; F1159-L1163 PolarHBondContact O-N 3.09Å; F1159-I1205 HydrophobicContact CD2-CG2 4.05Å; F1159-I1205 HydrophobicContact CE2-CD1 4.39Å; F1159-I1205 HydrophobicContact CE2-CG1 4.19Å; F1159-I1205 HydrophobicContact CE2-CG2 3.62Å; F1159-I1209 HydrophobicContact CB-CD1 3.62Å; F1159-I1209 HydrophobicContact CD2-CD1 3.61Å; F1159-I1209 HydrophobicContact CE2-CD1 4.5Å; F1159-I1209 HydrophobicContact CG-CD1 3.76Å; F1159-L1265 HydrophobicContact CD1-CD2 3.84Å; F1159-L1265 HydrophobicContact CE1-CD2 4.28Å; F1159-L1269 HydrophobicContact CE1-CD2 3.72Å; F1159-L1269 HydrophobicContact CE1-CG 3.92Å; F1159-L1269 HydrophobicContact CZ-CD2 3.45Å; F1159-L1269 VanDerWaalsContact CZ-CD2 3.45Å; F1159-L1269 HydrophobicContact CZ-CG 4.07Å; F1159-I1306 HydrophobicContact CE2-CD1 4.31Å; F1159-I1306 HydrophobicContact CZ-CD1 4.49Å |
| 1160 | N | 73.8 | Confident | 69.9 | Low | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 175.3 | -81.4 | 14.5 | 0 | 0 | 0 | 111.7 | T1156 S1157 A1162 L1163 D1164 K1268 | T1156-N1160 PolarHBondContact O-N 3.41Å; T1156-N1160 PolarHBondContact O-OD1 3.25Å; S1157-N1160 WeakPolarHBondContact O-CB 3.35Å; S1157-N1160 PolarHBondContact O-N 3.31Å; N1160-A1162 PolarHBondContact O-N 3.38Å; N1160-L1163 PolarHBondContact O-N 3.43Å; N1160-L1163 VanDerWaalsContact O-N 3.14Å; N1160-D1164 PolarHBondContact O-N 3.43Å; N1160-K1268 VanDerWaalsContact ND2-CE 3.27Å; N1160-K1268 WeakPolarHBondContact ND2-CE 3.4Å; N1160-K1268 PolarHBondContact ND2-NZ 3.16Å; N1160-K1268 WeakPolarHBondContact OD1-CD 3.39Å; N1160-K1268 VanDerWaalsContact OD1-CE 3.24Å; N1160-K1268 WeakPolarHBondContact OD1-CE 3.48Å; N1160-K1268 PolarHBondContact OD1-NZ 2.87Å |
| 1161 | D | 73.2 | Confident | 68.3 | Low | 82 Ų | 82 | 46 Ų | 46 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.6 | -36.3 | 178.5 | -68.1 | -6.4 | 0 | 0 | 0 | 110.8 | S1157 E1158 T1165 R1203 | S1157-D1161 PolarHBondContact O-N 2.99Å; E1158-D1161 PolarHBondContact O-N 3.43Å; D1161-T1165 PolarHBondContact O-N 3.44Å; D1161-T1165 VanDerWaalsContact O-N 3.11Å; D1161-T1165 PolarHBondContact O-OG1 3.22Å; D1161-R1203 IonicContact OD2-NH1 3.67Å |
| 1162 | A | 69.2 | Low | 66.6 | Low | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.3 | -45.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1158 F1159 N1160 T1165 I1166 | E1158-A1162 PolarHBondContact O-N 3.3Å; E1158-A1162 VanDerWaalsContact O-N 3.1Å; F1159-A1162 WeakPolarHBondContact O-CB 3.46Å; F1159-A1162 PolarHBondContact O-N 2.9Å; N1160-A1162 PolarHBondContact O-N 3.38Å; A1162-T1165 VanDerWaalsContact CA-OG1 3.31Å; A1162-T1165 WeakPolarHBondContact CA-OG1 3.38Å; A1162-T1165 PolarHBondContact O-N 3.36Å; A1162-T1165 PolarHBondContact O-OG1 3.42Å; A1162-I1166 WeakPolarHBondContact O-CG1 3.4Å; A1162-I1166 PolarHBondContact O-N 3.5Å |
| 1163 | L | 66.4 | Low | 64.8 | Low | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.3 | -71.2 | 178.3 | 0 | 0 | 0 | 112 | F1159 N1160 T1165 I1166 L1167 I1205 L1269 F1272 I1303 | F1159-L1163 HydrophobicContact CD1-CD1 3.98Å; F1159-L1163 HydrophobicContact CD1-CG 4.44Å; F1159-L1163 HydrophobicContact CE1-CD1 3.5Å; F1159-L1163 HydrophobicContact CE1-CG 4.08Å; F1159-L1163 HydrophobicContact CE2-CD2 4.31Å; F1159-L1163 HydrophobicContact CE2-CG 4.3Å; F1159-L1163 HydrophobicContact CZ-CD1 3.84Å; F1159-L1163 HydrophobicContact CZ-CD2 4Å; F1159-L1163 HydrophobicContact CZ-CG 3.99Å; F1159-L1163 WeakPolarHBondContact O-CG 3.49Å; F1159-L1163 PolarHBondContact O-N 3.09Å; N1160-L1163 PolarHBondContact O-N 3.43Å; N1160-L1163 VanDerWaalsContact O-N 3.14Å; L1163-T1165 VanDerWaalsContact C-N 3.3Å; L1163-T1165 PolarHBondContact O-N 2.89Å; L1163-I1166 PolarHBondContact O-N 3.44Å; L1163-I1166 VanDerWaalsContact O-N 3.13Å; L1163-L1167 PolarHBondContact O-N 3.24Å; L1163-I1205 HydrophobicContact CD2-CD1 4.15Å; L1163-L1269 HydrophobicContact CD1-CD2 4.21Å; L1163-L1269 HydrophobicContact CD2-CD2 4.36Å; L1163-F1272 HydrophobicContact CB-CD2 4.04Å; L1163-F1272 HydrophobicContact CD1-CB 4.42Å; L1163-F1272 HydrophobicContact CD2-CD2 3.96Å; L1163-F1272 HydrophobicContact CD2-CE2 4.26Å; L1163-F1272 HydrophobicContact CD2-CG 4.18Å; L1163-F1272 HydrophobicContact CG-CD2 4.46Å; L1163-I1303 HydrophobicContact CD2-CD1 4.2Å |
| 1164 | D | 70.4 | Confident | 62.5 | Low | 109 Ų | 109 | 52.3 Ų | 52.3 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 176.9 | -73.4 | -21.5 | 0 | 0 | 0 | 111.2 | N1160 G1168 | N1160-D1164 PolarHBondContact O-N 3.43Å; D1164-G1168 PolarHBondContact O-N 3.05Å |
| 1165 | T | 67.2 | Low | 60.3 | Low | 49 Ų | 49 | 54.8 Ų | 54.8 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.3 | -32.5 | 173.3 | 44.8 | 0 | 0 | 0 | 0 | 113.8 | D1161 A1162 L1163 G1168 L1169 | D1161-T1165 PolarHBondContact O-N 3.44Å; D1161-T1165 VanDerWaalsContact O-N 3.11Å; D1161-T1165 PolarHBondContact O-OG1 3.22Å; A1162-T1165 VanDerWaalsContact CA-OG1 3.31Å; A1162-T1165 WeakPolarHBondContact CA-OG1 3.38Å; A1162-T1165 PolarHBondContact O-N 3.36Å; A1162-T1165 PolarHBondContact O-OG1 3.42Å; L1163-T1165 VanDerWaalsContact C-N 3.3Å; L1163-T1165 PolarHBondContact O-N 2.89Å; T1165-G1168 PolarHBondContact O-N 3.37Å; T1165-L1169 WeakPolarHBondContact O-CD1 3.28Å; T1165-L1169 PolarHBondContact O-N 3.2Å |
| 1166 | I | 64.4 | Low | 58.4 | Low | 15 Ų | 15 | 61.1 Ų | 61.1 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.3 | -46.6 | 177.3 | -71.3 | 168.5 | 0 | 0 | 0 | 110.4 | A1162 L1163 G1168 L1169 E1170 I1205 F1272 | A1162-I1166 WeakPolarHBondContact O-CG1 3.4Å; A1162-I1166 PolarHBondContact O-N 3.5Å; L1163-I1166 PolarHBondContact O-N 3.44Å; L1163-I1166 VanDerWaalsContact O-N 3.13Å; I1166-G1168 VanDerWaalsContact C-N 3.26Å; I1166-G1168 PolarHBondContact O-N 3.01Å; I1166-L1169 PolarHBondContact O-N 2.76Å; I1166-L1169 VanDerWaalsContact O-N 3.15Å; I1166-E1170 PolarHBondContact O-N 3.04Å; I1166-E1170 VanDerWaalsContact O-N 3.1Å; I1166-I1205 HydrophobicContact CD1-CD1 3.59Å; I1166-I1205 HydrophobicContact CD1-CG1 3.55Å; I1166-F1272 HydrophobicContact CB-CE2 4.38Å; I1166-F1272 HydrophobicContact CG2-CE2 4.11Å; I1166-F1272 HydrophobicContact CG2-CZ 3.94Å |
| 1167 | L | 62.2 | Low | 56.2 | Low | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.4 | -43.4 | 171.5 | -98.4 | 152.2 | 0 | 0 | 0 | 111.3 | L1163 L1169 V1171 F1272 L1275 | L1163-L1167 PolarHBondContact O-N 3.24Å; L1167-L1169 PolarHBondContact O-N 3.26Å; L1167-V1171 VanDerWaalsContact O-CG2 3.23Å; L1167-V1171 WeakPolarHBondContact O-CG2 3.28Å; L1167-V1171 PolarHBondContact O-N 3.32Å; L1167-F1272 HydrophobicContact CB-CE2 4.34Å; L1167-F1272 HydrophobicContact CD1-CD2 3.32Å; L1167-F1272 HydrophobicContact CD1-CE2 3.69Å; L1167-F1272 HydrophobicContact CD1-CG 4.28Å; L1167-F1272 HydrophobicContact CG-CD2 3.76Å; L1167-F1272 HydrophobicContact CG-CE2 3.55Å; L1167-F1272 HydrophobicContact CG-CZ 4.48Å; L1167-L1275 HydrophobicContact CD1-CD2 3.92Å; L1167-L1275 HydrophobicContact CD2-CD2 3.85Å; L1167-L1275 HydrophobicContact CD2-CG 4.36Å |
| 1168 | G | 56.6 | Low | 54 | Low | 45 Ų | 45 | 63.8 Ų | 63.8 | 46% | 0.464 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1164 T1165 I1166 A1172 | D1164-G1168 PolarHBondContact O-N 3.05Å; T1165-G1168 PolarHBondContact O-N 3.37Å; I1166-G1168 VanDerWaalsContact C-N 3.26Å; I1166-G1168 PolarHBondContact O-N 3.01Å; G1168-A1172 WeakPolarHBondContact O-CB 3.41Å; G1168-A1172 PolarHBondContact O-N 3.15Å |
| 1169 | L | 53.1 | Low | 51.9 | Low | 87 Ų | 87 | 65.5 Ų | 65.5 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.8 | -46.9 | 177.9 | -110.2 | 92.2 | 0 | 0 | 0 | 112.1 | T1165 I1166 L1167 V1171 A1172 D1173 | T1165-L1169 WeakPolarHBondContact O-CD1 3.28Å; T1165-L1169 PolarHBondContact O-N 3.2Å; I1166-L1169 PolarHBondContact O-N 2.76Å; I1166-L1169 VanDerWaalsContact O-N 3.15Å; L1167-L1169 PolarHBondContact O-N 3.26Å; L1169-V1171 PolarHBondContact O-N 3.44Å; L1169-A1172 WeakPolarHBondContact O-CB 3.31Å; L1169-A1172 PolarHBondContact O-N 3.39Å; L1169-A1172 VanDerWaalsContact O-N 3.11Å; L1169-D1173 PolarHBondContact O-N 3.36Å; L1169-D1173 VanDerWaalsContact O-N 3.07Å |
| 1170 | E | 51.6 | Low | 49.4 | Very low | 56 Ų | 56 | 72.8 Ų | 72.8 | 26% | 0.262 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | -178.3 | -73 | -177.7 | 177.5 | 0 | 0 | 111.4 | I1166 A1172 D1173 D1174 Q1276 N1297 | I1166-E1170 PolarHBondContact O-N 3.04Å; I1166-E1170 VanDerWaalsContact O-N 3.1Å; E1170-A1172 PolarHBondContact O-N 3.39Å; E1170-D1173 PolarHBondContact O-N 2.84Å; E1170-D1174 PolarHBondContact O-N 3.46Å; E1170-D1174 VanDerWaalsContact O-N 3.17Å; E1170-Q1276 PolarHBondContact OE2-NE2 3.31Å; E1170-N1297 PolarHBondContact OE1-ND2 2.92Å |
| 1171 | V | 46.3 | Very low | 47 | Very low | 73 Ų | 73 | 78 Ų | 78 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63 | -30.3 | 174.6 | 175.6 | 0 | 0 | 0 | 0 | 112 | L1167 L1169 L1175 | L1167-V1171 VanDerWaalsContact O-CG2 3.23Å; L1167-V1171 WeakPolarHBondContact O-CG2 3.28Å; L1167-V1171 PolarHBondContact O-N 3.32Å; L1169-V1171 PolarHBondContact O-N 3.44Å; V1171-L1175 WeakPolarHBondContact O-CG 3.47Å; V1171-L1175 PolarHBondContact O-N 2.9Å |
| 1172 | A | 39.6 | Very low | 44.5 | Very low | 49 Ų | 49 | 80.1 Ų | 80.1 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.6 | -38.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1168 L1169 E1170 L1175 L1176 | G1168-A1172 WeakPolarHBondContact O-CB 3.41Å; G1168-A1172 PolarHBondContact O-N 3.15Å; L1169-A1172 WeakPolarHBondContact O-CB 3.31Å; L1169-A1172 PolarHBondContact O-N 3.39Å; L1169-A1172 VanDerWaalsContact O-N 3.11Å; E1170-A1172 PolarHBondContact O-N 3.39Å; A1172-L1175 PolarHBondContact O-N 3.22Å; A1172-L1176 PolarHBondContact O-N 3.2Å |
| 1173 | D | 41.7 | Very low | 42.3 | Very low | 107 Ų | 107 | 88.7 Ų | 88.7 | 57% | 0.572 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 176.1 | -78.3 | -22.3 | 0 | 0 | 0 | 111.3 | L1169 E1170 L1175 L1176 A1177 | L1169-D1173 PolarHBondContact O-N 3.36Å; L1169-D1173 VanDerWaalsContact O-N 3.07Å; E1170-D1173 PolarHBondContact O-N 2.84Å; D1173-L1175 PolarHBondContact O-N 3.24Å; D1173-L1176 PolarHBondContact O-N 2.9Å; D1173-A1177 PolarHBondContact O-N 3.26Å |
| 1174 | D | 32.2 | Very low | 40.1 | Very low | 81 Ų | 81 | 94 Ų | 94 | 43% | 0.433 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 177.7 | -74.8 | -15.2 | 0 | 0 | 0 | 113.2 | E1170 L1176 A1177 Q1283 | E1170-D1174 PolarHBondContact O-N 3.46Å; E1170-D1174 VanDerWaalsContact O-N 3.17Å; D1174-L1176 PolarHBondContact O-N 3.39Å; D1174-A1177 PolarHBondContact O-N 3.49Å; D1174-Q1283 PolarHBondContact OD2-NE2 2.95Å; D1174-Q1283 PolarHBondContact OD2-OE1 3.14Å |
| 1175 | L | 30.8 | Very low | 37.8 | Very low | 135 Ų | 135 | 94.1 Ų | 94.1 | 71% | 0.707 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.1 | -22.3 | 177.2 | -74.1 | 173.9 | 0 | 0 | 0 | 113.2 | V1171 A1172 D1173 | V1171-L1175 WeakPolarHBondContact O-CG 3.47Å; V1171-L1175 PolarHBondContact O-N 2.9Å; A1172-L1175 PolarHBondContact O-N 3.22Å; D1173-L1175 PolarHBondContact O-N 3.24Å |
| 1176 | L | 32.8 | Very low | 35.5 | Very low | 137 Ų | 137 | 101 Ų | 101 | 72% | 0.717 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -85.2 | -15.5 | 176.1 | -69.4 | 172.9 | 0 | 0 | 0 | 112.9 | A1172 D1173 D1174 A1178 | A1172-L1176 PolarHBondContact O-N 3.2Å; D1173-L1176 PolarHBondContact O-N 2.9Å; D1174-L1176 PolarHBondContact O-N 3.39Å; L1176-A1178 VanDerWaalsContact C-N 3.33Å; L1176-A1178 PolarHBondContact O-N 3.27Å |
| 1177 | A | 28.2 | Very low | 33.4 | Very low | 73 Ų | 73 | 107.4 Ų | 107.4 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 17.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1173 D1174 P1179 | D1173-A1177 PolarHBondContact O-N 3.26Å; D1174-A1177 PolarHBondContact O-N 3.49Å; A1177-P1179 WeakPolarHBondContact O-CD 3.38Å |
| 1178 | A | 25.4 | Very low | 31.3 | Very low | 68 Ų | 68 | 113.1 Ų | 113.1 | 56% | 0.562 | 65% | 0.649 | S | S | * | * | trans | -67 | 117.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1176 N1180 | L1176-A1178 VanDerWaalsContact C-N 3.33Å; L1176-A1178 PolarHBondContact O-N 3.27Å; A1178-N1180 PolarHBondContact O-N 3.1Å | ||
| 1179 | P | 26.8 | Very low | 29.5 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 83% | 0.831 | 67% | 0.672 | S | S | * | * | trans | -81.3 | 91.3 | -170.2 | 32.1 | -32.5 | 0 | 0 | 0 | 110.4 | A1177 N1181 | A1177-P1179 WeakPolarHBondContact O-CD 3.38Å; P1179-N1181 PolarHBondContact O-N 2.95Å | ||
| 1180 | N | 26.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -77.8 | 109.8 | 169.9 | -87.6 | -27.2 | 0 | 0 | 0 | 110.9 | A1178 | A1178-N1180 PolarHBondContact O-N 3.1Š| ||
| 1181 | N | 23.4 | Very low | 26.4 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | trans | 61.3 | 102.5 | 152.3 | -84.3 | -17.1 | 0 | 0 | 0 | 119.8 | P1179 | P1179-N1181 PolarHBondContact O-N 2.95Š| ||
| 1182 | V | 20.1 | Very low | 25 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -46.9 | 122.6 | 147 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1183 | F | 23 | Very low | 24.1 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | -179.9 | 113 | 135.7 | -96.6 | -66.9 | 0 | 0 | 0 | 111.1 | ||||
| 1184 | T | 20.3 | Very low | 23 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | 43 | 112 | 140.2 | 55.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1185 | S | 21.4 | Very low | 22.6 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | 160.3 | 127.5 | 116.2 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1186 | Q | 18.6 | Very low | 22.1 | Very low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -65.8 | 123.9 | 166.6 | -64.4 | 175.5 | -22.6 | 0 | 0 | 108.9 | ||||
| 1187 | I | 20.1 | Very low | 21.5 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -161.7 | 118.3 | 154.1 | -90 | 138.1 | 0 | 0 | 0 | 109 | ||||
| 1188 | N | 18.5 | Very low | 21.1 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 37.6 | 119.9 | 146.2 | -59.3 | -19.6 | 0 | 0 | 0 | 121.9 | S1190 | N1188-S1190 PolarHBondContact O-N 2.94Š| ||
| 1189 | Y | 18.7 | Very low | 21 | Very low | 242 Ų | 242 | 149.9 Ų | 149.9 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | trans | -52.5 | 116.6 | 152.5 | -69.8 | -88.3 | 0 | 0 | 0 | 112.4 | ||||
| 1190 | S | 18.7 | Very low | 20.8 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | 175.2 | 119.1 | 144.4 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | N1188 | N1188-S1190 PolarHBondContact O-N 2.94Š| ||
| 1191 | G | 20.9 | Very low | 20.8 | Very low | 63 Ų | 63 | 145.2 Ų | 145.2 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | 134.5 | 82.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1192 | R | 18.2 | Very low | 21.2 | Very low | 242 Ų | 242 | 139 Ų | 139 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | 43.6 | 86.8 | 128.3 | -154 | -177.9 | -142.4 | -155.3 | 5.5 | 116.3 | |||||
| 1193 | R | 20.1 | Very low | 21.9 | Very low | 241 Ų | 241 | 140.2 Ų | 140.2 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | -122 | 112.4 | 158.1 | -72 | -171.2 | -174.7 | -178.7 | 3.1 | 109.7 | ||||
| 1194 | Q | 19 | Very low | 23.3 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -63.8 | 123.7 | 172.8 | -69.6 | 167.9 | -35.2 | 0 | 0 | 109.3 | T1196 | Q1194-T1196 PolarHBondContact O-N 3.03Š| ||
| 1195 | P | 22.4 | Very low | 25.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -84.4 | 112.5 | 175.5 | 30.6 | -26.8 | 0 | 0 | 0 | 109.5 | ||||
| 1196 | T | 20.1 | Very low | 26.8 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 68% | 0.675 | S | S | * | * | trans | -64.5 | 126.8 | 172.1 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | Q1194 | Q1194-T1196 PolarHBondContact O-N 3.03Š| ||
| 1197 | S | 21.2 | Very low | 28.6 | Very low | 57 Ų | 57 | 122.1 Ų | 122.1 | 40% | 0.399 | 64% | 0.64 | S | S | . | * | trans | -116 | 26.6 | -154.3 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | V1035 | V1035-S1197 VanDerWaalsContact CG1-CB 3.41Å; V1035-S1197 VanDerWaalsContact CG2-CB 3.49Å; V1035-S1197 WeakPolarHBondContact CG2-O 3.38Å; V1035-S1197 WeakPolarHBondContact CG2-OG 3.37Å | ||
| 1198 | H | 20.4 | Very low | 30.8 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 55% | 0.551 | 61% | 0.607 | S | S | * | * | trans | -110.2 | 72.6 | -176.3 | -75.6 | -106.7 | 0 | 0 | 0 | 113.5 | ||||
| 1199 | L | 22.1 | Very low | 33.2 | Very low | 161 Ų | 161 | 108.6 Ų | 108.6 | 84% | 0.843 | 57% | 0.57 | S | S | * | * | trans | -129.4 | 125 | 156.2 | -89.3 | 163.8 | 0 | 0 | 0 | 108.9 | ||||
| 1200 | S | 23.6 | Very low | 35.6 | Very low | 80 Ų | 80 | 98 Ų | 98 | 56% | 0.559 | 53% | 0.53 | S | S | * | . | trans | -77.8 | 152.4 | -154.2 | -37.8 | 0 | 0 | 0 | 0 | 113.3 | G1202 | S1200-G1202 PolarHBondContact O-N 2.72Š| ||
| 1201 | A | 25.9 | Very low | 37.8 | Very low | 104 Ų | 104 | 93.2 Ų | 93.2 | 86% | 0.86 | 49% | 0.494 | S | S | * | . | trans | -49.6 | 97.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1202 | G | 31.9 | Very low | 40.3 | Very low | 25 Ų | 25 | 90.2 Ų | 90.2 | 26% | 0.258 | 46% | 0.463 | S | S | . | . | trans | -66 | 131.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S1200 F1204 | S1200-G1202 PolarHBondContact O-N 2.72Å; G1202-F1204 PolarHBondContact O-N 3.11Å | ||
| 1203 | R | 36 | Very low | 42.9 | Very low | 152 Ų | 152 | 78.7 Ų | 78.7 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | trans | -65.5 | 115.8 | -178.5 | -68.6 | -178.2 | 173.3 | -172 | -0.2 | 109.6 | D1161 | D1161-R1203 IonicContact OD2-NH1 3.67Š| ||
| 1204 | F | 50.5 | Low | 45.4 | Very low | 162 Ų | 162 | 71.4 Ų | 71.4 | 71% | 0.711 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 148.4 | 171.1 | -66.5 | -83.5 | 0 | 0 | 0 | 110.7 | G1202 P1206 | G1202-F1204 PolarHBondContact O-N 3.11Å; F1204-P1206 WeakPolarHBondContact O-CD 3.25Å |
| 1205 | I | 59.1 | Low | 47.7 | Very low | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 124.9 | 173 | -70.2 | 165.7 | 0 | 0 | 0 | 109.2 | F1159 L1163 I1166 P1207 L1302 I1303 I1306 | F1159-I1205 HydrophobicContact CD2-CG2 4.05Å; F1159-I1205 HydrophobicContact CE2-CD1 4.39Å; F1159-I1205 HydrophobicContact CE2-CG1 4.19Å; F1159-I1205 HydrophobicContact CE2-CG2 3.62Å; L1163-I1205 HydrophobicContact CD2-CD1 4.15Å; I1166-I1205 HydrophobicContact CD1-CD1 3.59Å; I1166-I1205 HydrophobicContact CD1-CG1 3.55Å; I1205-P1207 VanDerWaalsContact O-CD 3.25Å; I1205-P1207 WeakPolarHBondContact O-CD 3.25Å; I1205-L1302 HydrophobicContact CG2-CD2 3.99Å; I1205-I1303 HydrophobicContact CD1-CD1 3.75Å; I1205-I1303 HydrophobicContact CD1-CG1 3.63Å; I1205-I1306 HydrophobicContact CG2-CD1 4.38Å |
| 1206 | P | 56.5 | Low | 50.1 | Low | 29 Ų | 29 | 57.6 Ų | 57.6 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 118.9 | 179.3 | -22.4 | 33 | 0 | 0 | 0 | 112 | F1204 S1208 I1209 | F1204-P1206 WeakPolarHBondContact O-CD 3.25Å; P1206-S1208 PolarHBondContact O-N 3.18Å; P1206-S1208 VanDerWaalsContact O-N 3.08Å; P1206-I1209 PolarHBondContact O-N 3.27Å |
| 1207 | P | 57.1 | Low | 52.7 | Low | 29 Ų | 29 | 52.6 Ų | 52.6 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -17.3 | 176.3 | -21.4 | 33.3 | 0 | 0 | 0 | 113.3 | I1116 R1120 I1205 I1209 L1210 L1211 | I1116-P1207 HydrophobicContact CG2-CB 4.1Å; R1120-P1207 HydrophobicContact CB-CG 4.47Å; R1120-P1207 HydrophobicContact CG-CB 4.38Å; R1120-P1207 HydrophobicContact CG-CG 3.93Å; I1205-P1207 VanDerWaalsContact O-CD 3.25Å; I1205-P1207 WeakPolarHBondContact O-CD 3.25Å; P1207-I1209 PolarHBondContact O-N 3.03Å; P1207-L1210 PolarHBondContact O-N 2.98Å; P1207-L1211 PolarHBondContact O-N 3.01Å; P1207-L1211 VanDerWaalsContact O-N 3.15Å |
| 1208 | S | 65.2 | Low | 54.8 | Low | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -52.5 | -39 | 177.2 | -48.3 | 0 | 0 | 0 | 0 | 113.2 | I1116 P1206 L1211 I1212 | I1116-S1208 VanDerWaalsContact CD1-OG 3.23Å; I1116-S1208 WeakPolarHBondContact CD1-OG 3.34Å; P1206-S1208 PolarHBondContact O-N 3.18Å; P1206-S1208 VanDerWaalsContact O-N 3.08Å; S1208-L1211 PolarHBondContact O-N 2.96Å; S1208-I1212 WeakPolarHBondContact O-CG1 3.48Å; S1208-I1212 PolarHBondContact O-N 3.46Å |
| 1209 | I | 70 | Confident | 57 | Low | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -47.5 | -179.3 | -66.4 | 170.8 | 0 | 0 | 0 | 110.4 | L1152 M1155 F1159 P1206 P1207 L1211 I1212 L1213 I1306 | L1152-I1209 HydrophobicContact CD1-CG2 3.92Å; M1155-I1209 HydrophobicContact CB-CD1 4.25Å; M1155-I1209 HydrophobicContact CB-CG1 4.02Å; M1155-I1209 HydrophobicContact SD-CG1 4.2Å; F1159-I1209 HydrophobicContact CB-CD1 3.62Å; F1159-I1209 HydrophobicContact CD2-CD1 3.61Å; F1159-I1209 HydrophobicContact CE2-CD1 4.5Å; F1159-I1209 HydrophobicContact CG-CD1 3.76Å; P1206-I1209 PolarHBondContact O-N 3.27Å; P1207-I1209 PolarHBondContact O-N 3.03Å; I1209-L1211 VanDerWaalsContact C-N 3.26Å; I1209-L1211 PolarHBondContact O-N 2.92Å; I1209-I1212 PolarHBondContact O-N 2.87Å; I1209-L1213 HydrophobicContact CG2-CD1 3.93Å; I1209-L1213 VanDerWaalsContact O-CG 3.29Å; I1209-L1213 WeakPolarHBondContact O-CG 3.31Å; I1209-L1213 PolarHBondContact O-N 2.97Å; I1209-I1306 HydrophobicContact CG2-CD1 4.45Å |
| 1210 | L | 69 | Low | 59 | Low | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 178 | 174.2 | 137.2 | 0 | 0 | 0 | 111.4 | P1207 L1213 R1214 L1302 I1306 | P1207-L1210 PolarHBondContact O-N 2.98Å; L1210-L1213 PolarHBondContact O-N 3.4Å; L1210-R1214 WeakPolarHBondContact O-CB 3.46Å; L1210-R1214 VanDerWaalsContact O-CG 3.31Å; L1210-R1214 WeakPolarHBondContact O-CG 3.45Å; L1210-R1214 PolarHBondContact O-N 3.48Å; L1210-L1302 HydrophobicContact CB-CD2 4.43Å; L1210-L1302 HydrophobicContact CD1-CD2 4.29Å; L1210-L1302 HydrophobicContact CD1-CG 4.39Å; L1210-I1306 HydrophobicContact CB-CG1 3.96Å; L1210-I1306 HydrophobicContact CD1-CG1 4.14Å |
| 1211 | L | 65.5 | Low | 60.8 | Low | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -45.5 | 178.2 | -155.5 | 131.5 | 0 | 0 | 0 | 112.3 | F1108 L1119 P1207 S1208 I1209 L1213 R1214 L1215 | F1108-L1211 HydrophobicContact CZ-CD2 3.89Å; L1119-L1211 HydrophobicContact CB-CD1 3.81Å; L1119-L1211 HydrophobicContact CD1-CD1 3.56Å; L1119-L1211 HydrophobicContact CG-CD1 4.12Å; P1207-L1211 PolarHBondContact O-N 3.01Å; P1207-L1211 VanDerWaalsContact O-N 3.15Å; S1208-L1211 PolarHBondContact O-N 2.96Å; I1209-L1211 VanDerWaalsContact C-N 3.26Å; I1209-L1211 PolarHBondContact O-N 2.92Å; L1211-L1213 VanDerWaalsContact C-N 3.31Å; L1211-L1213 PolarHBondContact O-N 2.87Å; L1211-R1214 PolarHBondContact O-N 2.92Å; L1211-L1215 HydrophobicContact CD2-CD1 3.73Å; L1211-L1215 HydrophobicContact CD2-CG 4.28Å; L1211-L1215 WeakPolarHBondContact O-CG 3.24Å; L1211-L1215 PolarHBondContact O-N 3.19Å |
| 1212 | I | 71.8 | Confident | 62 | Low | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 174.5 | -67.2 | 170.1 | 0 | 0 | 0 | 110.4 | F1108 L1148 Q1151 L1152 M1155 S1208 I1209 L1215 L1216 | F1108-I1212 HydrophobicContact CD1-CD1 3.97Å; F1108-I1212 HydrophobicContact CD1-CG1 4.3Å; F1108-I1212 HydrophobicContact CE1-CD1 4.09Å; F1108-I1212 HydrophobicContact CE1-CG1 3.93Å; F1108-I1212 HydrophobicContact CE2-CG1 4.46Å; F1108-I1212 HydrophobicContact CG-CD1 4.31Å; F1108-I1212 HydrophobicContact CZ-CG1 4.02Å; L1148-I1212 HydrophobicContact CB-CG2 4.27Å; L1148-I1212 HydrophobicContact CD2-CG1 4.26Å; L1148-I1212 HydrophobicContact CD2-CG2 4.34Å; Q1151-I1212 HydrophobicContact CB-CD1 4.39Å; L1152-I1212 HydrophobicContact CB-CG2 4.41Å; M1155-I1212 HydrophobicContact CE-CD1 3.59Å; M1155-I1212 HydrophobicContact SD-CD1 4.09Å; S1208-I1212 WeakPolarHBondContact O-CG1 3.48Å; S1208-I1212 PolarHBondContact O-N 3.46Å; I1209-I1212 PolarHBondContact O-N 2.87Å; I1212-L1215 PolarHBondContact O-N 3.36Å; I1212-L1216 HydrophobicContact CG2-CD1 4.1Å; I1212-L1216 WeakPolarHBondContact O-CG 3.48Å; I1212-L1216 PolarHBondContact O-N 2.62Å |
| 1213 | L | 74.6 | Confident | 62.5 | Low | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 179.2 | -69.8 | 172.1 | 0 | 0 | 0 | 112.7 | L1152 I1209 L1210 L1211 L1216 R1217 F1262 I1306 L1310 I1313 | L1152-L1213 HydrophobicContact CD2-CD2 4.01Å; I1209-L1213 HydrophobicContact CG2-CD1 3.93Å; I1209-L1213 VanDerWaalsContact O-CG 3.29Å; I1209-L1213 WeakPolarHBondContact O-CG 3.31Å; I1209-L1213 PolarHBondContact O-N 2.97Å; L1210-L1213 PolarHBondContact O-N 3.4Å; L1211-L1213 VanDerWaalsContact C-N 3.31Å; L1211-L1213 PolarHBondContact O-N 2.87Å; L1213-L1216 PolarHBondContact O-N 2.9Å; L1213-R1217 VanDerWaalsContact O-CB 3.26Å; L1213-R1217 WeakPolarHBondContact O-CB 3.31Å; L1213-R1217 PolarHBondContact O-N 3.04Å; L1213-F1262 HydrophobicContact CD2-CD1 4.14Å; L1213-F1262 HydrophobicContact CD2-CE1 3.92Å; L1213-I1306 HydrophobicContact CD1-CG2 3.74Å; L1213-L1310 HydrophobicContact CD1-CD1 4.42Å; L1213-L1310 HydrophobicContact CD1-CD2 3.97Å; L1213-L1310 HydrophobicContact CD1-CG 3.87Å; L1213-L1310 HydrophobicContact CD2-CD2 3.58Å; L1213-L1310 HydrophobicContact CD2-CG 4.28Å; L1213-L1310 HydrophobicContact CG-CD2 4.45Å; L1213-I1313 HydrophobicContact CD2-CD1 4.25Å |
| 1214 | R | 72.3 | Confident | 62.5 | Low | 87 Ų | 87 | 36 Ų | 36 | 33% | 0.328 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 174.7 | -76.9 | 179.6 | 174.2 | -176.3 | -1 | 112.1 | L1210 L1211 R1217 T1218 | L1210-R1214 WeakPolarHBondContact O-CB 3.46Å; L1210-R1214 VanDerWaalsContact O-CG 3.31Å; L1210-R1214 WeakPolarHBondContact O-CG 3.45Å; L1210-R1214 PolarHBondContact O-N 3.48Å; L1211-R1214 PolarHBondContact O-N 2.92Å; R1214-R1217 PolarHBondContact O-N 3.08Å; R1214-T1218 WeakPolarHBondContact O-CB 3.3Å; R1214-T1218 WeakPolarHBondContact O-CG2 3.44Å; R1214-T1218 PolarHBondContact O-N 3.33Å; R1214-T1218 PolarHBondContact O-OG1 3.06Å |
| 1215 | L | 66.5 | Low | 61.5 | Low | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 173.5 | -73.9 | 172 | 0 | 0 | 0 | 111.5 | I1099 L1132 I1134 L1211 I1212 T1218 S1219 | I1099-L1215 HydrophobicContact CD1-CD2 4.3Å; L1132-L1215 HydrophobicContact CD1-CD2 3.87Å; L1132-L1215 HydrophobicContact CD2-CD2 4.05Å; L1132-L1215 HydrophobicContact CG-CD2 4.46Å; I1134-L1215 HydrophobicContact CD1-CD2 4.4Å; L1211-L1215 HydrophobicContact CD2-CD1 3.73Å; L1211-L1215 HydrophobicContact CD2-CG 4.28Å; L1211-L1215 WeakPolarHBondContact O-CG 3.24Å; L1211-L1215 PolarHBondContact O-N 3.19Å; I1212-L1215 PolarHBondContact O-N 3.36Å; L1215-T1218 WeakPolarHBondContact CA-OG1 3.38Å; L1215-T1218 PolarHBondContact O-N 2.77Å; L1215-T1218 PolarHBondContact O-OG1 2.73Å; L1215-S1219 PolarHBondContact O-N 3.38Å; L1215-S1219 VanDerWaalsContact O-N 3.14Å; L1215-S1219 PolarHBondContact O-OG 3.33Å |
| 1216 | L | 73.4 | Confident | 59.9 | Low | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.3 | -70.1 | 172.6 | 0 | 0 | 0 | 111.2 | L1148 I1212 L1213 T1218 S1219 I1220 F1262 I1313 | L1148-L1216 HydrophobicContact CD1-CD2 4.42Å; I1212-L1216 HydrophobicContact CG2-CD1 4.1Å; I1212-L1216 WeakPolarHBondContact O-CG 3.48Å; I1212-L1216 PolarHBondContact O-N 2.62Å; L1213-L1216 PolarHBondContact O-N 2.9Å; L1216-T1218 PolarHBondContact O-N 3.44Å; L1216-S1219 PolarHBondContact O-N 3.29Å; L1216-S1219 PolarHBondContact O-OG 3.41Å; L1216-I1220 WeakPolarHBondContact O-CD1 3.31Å; L1216-I1220 VanDerWaalsContact O-CG1 3.28Å; L1216-I1220 WeakPolarHBondContact O-CG1 3.22Å; L1216-I1220 PolarHBondContact O-N 2.84Å; L1216-I1220 VanDerWaalsContact O-N 3.15Å; L1216-F1262 HydrophobicContact CD1-CE1 4.22Å; L1216-F1262 HydrophobicContact CD1-CZ 4.07Å; L1216-I1313 HydrophobicContact CB-CD1 4.01Å |
| 1217 | R | 74.3 | Confident | 58.5 | Low | 33 Ų | 33 | 41.1 Ų | 41.1 | 13% | 0.125 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.7 | -49.8 | 177.5 | -179.1 | -172.6 | 170.2 | -178.3 | -2.9 | 112.5 | L1213 R1214 S1219 I1220 L1221 D1308 Q1312 I1313 | L1213-R1217 VanDerWaalsContact O-CB 3.26Å; L1213-R1217 WeakPolarHBondContact O-CB 3.31Å; L1213-R1217 PolarHBondContact O-N 3.04Å; R1214-R1217 PolarHBondContact O-N 3.08Å; R1217-S1219 VanDerWaalsContact C-N 3.29Å; R1217-S1219 PolarHBondContact O-N 3.43Å; R1217-I1220 PolarHBondContact O-N 3.34Å; R1217-L1221 HydrophobicContact CG-CD1 3.89Å; R1217-L1221 PolarHBondContact O-N 2.93Å; R1217-D1308 IonicContact CZ-OD2 3.88Å; R1217-D1308 IonicContact NH1-OD2 2.74Å; R1217-D1308 PolarHBondContact NH1-OD2 2.8Å; R1217-D1308 IonicContact NH2-OD2 3.42Å; R1217-Q1312 VanDerWaalsContact CZ-NE2 3.32Å; R1217-I1313 HydrophobicContact CB-CD1 4.34Å; R1217-I1313 HydrophobicContact CB-CG1 4.34Å |
| 1218 | T | 65.9 | Low | 56.9 | Low | 51 Ų | 51 | 43.8 Ų | 43.8 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -35.2 | -179.4 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | R1214 L1215 L1216 G1222 | R1214-T1218 WeakPolarHBondContact O-CB 3.3Å; R1214-T1218 WeakPolarHBondContact O-CG2 3.44Å; R1214-T1218 PolarHBondContact O-N 3.33Å; R1214-T1218 PolarHBondContact O-OG1 3.06Å; L1215-T1218 WeakPolarHBondContact CA-OG1 3.38Å; L1215-T1218 PolarHBondContact O-N 2.77Å; L1215-T1218 PolarHBondContact O-OG1 2.73Å; L1216-T1218 PolarHBondContact O-N 3.44Å; T1218-G1222 VanDerWaalsContact O-CA 3.26Å; T1218-G1222 WeakPolarHBondContact O-CA 3.42Å; T1218-G1222 PolarHBondContact O-N 3.01Å |
| 1219 | S | 65.8 | Low | 55 | Low | 10 Ų | 10 | 51 Ų | 51 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.4 | -30.7 | 174.9 | 73 | 0 | 0 | 0 | 0 | 114.3 | L1215 L1216 R1217 | L1215-S1219 PolarHBondContact O-N 3.38Å; L1215-S1219 VanDerWaalsContact O-N 3.14Å; L1215-S1219 PolarHBondContact O-OG 3.33Å; L1216-S1219 PolarHBondContact O-N 3.29Å; L1216-S1219 PolarHBondContact O-OG 3.41Å; R1217-S1219 VanDerWaalsContact C-N 3.29Å; R1217-S1219 PolarHBondContact O-N 3.43Å |
| 1220 | I | 64.6 | Low | 52.9 | Low | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -85.3 | -50.7 | -176.9 | -65.9 | 161.2 | 0 | 0 | 0 | 111.5 | L1216 R1217 V1249 L1250 I1253 I1313 A1316 | L1216-I1220 WeakPolarHBondContact O-CD1 3.31Å; L1216-I1220 VanDerWaalsContact O-CG1 3.28Å; L1216-I1220 WeakPolarHBondContact O-CG1 3.22Å; L1216-I1220 PolarHBondContact O-N 2.84Å; L1216-I1220 VanDerWaalsContact O-N 3.15Å; R1217-I1220 PolarHBondContact O-N 3.34Å; I1220-V1249 HydrophobicContact CG1-CG1 4.46Å; I1220-L1250 HydrophobicContact CD1-CD2 4.25Å; I1220-L1250 HydrophobicContact CG1-CD2 4.21Å; I1220-L1250 HydrophobicContact CG2-CD1 4.4Å; I1220-L1250 HydrophobicContact CG2-CD2 3.84Å; I1220-L1250 HydrophobicContact CG2-CG 4.31Å; I1220-I1253 HydrophobicContact CD1-CD1 3.65Å; I1220-I1253 HydrophobicContact CG1-CD1 4.15Å; I1220-I1313 HydrophobicContact CD1-CG1 4.06Å; I1220-I1313 HydrophobicContact CD1-CG2 3.98Å; I1220-A1316 HydrophobicContact CG2-CB 3.86Å |
| 1221 | L | 60.5 | Low | 50.7 | Low | 73 Ų | 73 | 68.3 Ų | 68.3 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -90 | -18 | -173.1 | -67.9 | 166.6 | 0 | 0 | 0 | 112.9 | R1217 Q1312 | R1217-L1221 HydrophobicContact CG-CD1 3.89Å; R1217-L1221 PolarHBondContact O-N 2.93Å; L1221-Q1312 HydrophobicContact CD1-CB 4.11Å |
| 1222 | G | 51.4 | Low | 48.8 | Very low | 15 Ų | 15 | 72.3 Ų | 72.3 | 16% | 0.155 | 38% | 0.381 | C | S | . | . | trans | 78.9 | 168.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1218 | T1218-G1222 VanDerWaalsContact O-CA 3.26Å; T1218-G1222 WeakPolarHBondContact O-CA 3.42Å; T1218-G1222 PolarHBondContact O-N 3.01Å | ||
| 1223 | S | 43.4 | Very low | 46.7 | Very low | 76 Ų | 76 | 77.5 Ų | 77.5 | 53% | 0.531 | 42% | 0.417 | S | S | . | . | trans | -67 | 136.7 | 171.7 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | H1225 | S1223-H1225 PolarHBondContact O-N 2.93Å; S1223-H1225 PolarHBondContact OG-CD2 3.45Å | ||
| 1224 | N | 34.6 | Very low | 44.7 | Very low | 114 Ų | 114 | 85.1 Ų | 85.1 | 61% | 0.61 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -71.8 | 14.1 | -176.6 | -78.2 | -6.9 | 0 | 0 | 0 | 114.6 | S1226 | N1224-S1226 PolarHBondContact O-N 2.97Š|
| 1225 | H | 29.2 | Very low | 42.7 | Very low | 94 Ų | 94 | 83.7 Ų | 83.7 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | trans | -79.1 | 88.8 | 174.4 | -72.3 | -61.5 | 0 | 0 | 0 | 110.5 | S1223 S1227 | S1223-H1225 PolarHBondContact O-N 2.93Å; S1223-H1225 PolarHBondContact OG-CD2 3.45Å; H1225-S1227 PolarHBondContact O-N 3.34Å | ||
| 1226 | S | 26.6 | Very low | 41.3 | Very low | 110 Ų | 110 | 89 Ų | 89 | 77% | 0.769 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -5.1 | 173.6 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | N1224 | N1224-S1226 PolarHBondContact O-N 2.97Š|
| 1227 | S | 25.9 | Very low | 39.7 | Very low | 99 Ų | 99 | 95.6 Ų | 95.6 | 69% | 0.692 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -9.8 | -176.6 | 56.4 | 0 | 0 | 0 | 0 | 115.4 | H1225 | H1225-S1227 PolarHBondContact O-N 3.34Š|
| 1228 | T | 24.4 | Very low | 38.3 | Very low | 86 Ų | 86 | 96.8 Ų | 96.8 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -96.6 | 2.5 | 179.7 | 46.9 | 0 | 0 | 0 | 0 | 114.6 | N1230 R1231 | T1228-N1230 PolarHBondContact O-N 3.48Å; T1228-R1231 PolarHBondContact O-N 3.22Å |
| 1229 | F | 24.6 | Very low | 37.5 | Very low | 160 Ų | 160 | 101.1 Ų | 101.1 | 70% | 0.702 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -17.8 | 177.6 | -113.2 | -85 | 0 | 0 | 0 | 113.9 | ||
| 1230 | N | 25.9 | Very low | 37 | Very low | 158 Ų | 158 | 107.5 Ų | 107.5 | 85% | 0.845 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 1.4 | 179.2 | -75.4 | -14.4 | 0 | 0 | 0 | 115.3 | T1228 | T1228-N1230 PolarHBondContact O-N 3.48Š|
| 1231 | R | 24 | Very low | 36.6 | Very low | 228 Ų | 228 | 111.8 Ų | 111.8 | 86% | 0.86 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -117.8 | 4 | -179.7 | -103.1 | -169.9 | -83.7 | -160.8 | -0.7 | 116.8 | T1228 | T1228-R1231 PolarHBondContact O-N 3.22Š|
| 1232 | L | 24.3 | Very low | 36.4 | Very low | 110 Ų | 110 | 111.1 Ų | 111.1 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | trans | -113.2 | 40 | 179.4 | -69.7 | 173.3 | 0 | 0 | 0 | 113.7 | D1234 | L1232-D1234 PolarHBondContact O-N 3.21Š| ||
| 1233 | S | 28.9 | Very low | 37.1 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 76% | 0.755 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -1.7 | 170.8 | 55 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1234 | D | 31.7 | Very low | 38 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | 10.6 | -170.1 | -81.9 | -22.5 | 0 | 0 | 0 | 117.1 | L1232 | L1232-D1234 PolarHBondContact O-N 3.21Š|
| 1235 | S | 29.7 | Very low | 39.5 | Very low | 57 Ų | 57 | 113 Ų | 113 | 40% | 0.399 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -112.5 | 129.9 | 168.4 | 60.8 | 0 | 0 | 0 | 0 | 113 | Y1237 | S1235-Y1237 VanDerWaalsContact C-N 3.26Å; S1235-Y1237 PolarHBondContact O-N 3.29Å |
| 1236 | S | 38.4 | Very low | 41.5 | Very low | 117 Ų | 117 | 112.7 Ų | 112.7 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -60.5 | 23.1 | -163 | 48.2 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1237 | Y | 38.8 | Very low | 43.6 | Very low | 138 Ų | 138 | 110 Ų | 110 | 54% | 0.541 | 58% | 0.575 | S | S | . | * | trans | -99.2 | 118.1 | 173.7 | -71.5 | -75.8 | 0 | 0 | 0 | 111.1 | S1235 E1239 | S1235-Y1237 VanDerWaalsContact C-N 3.26Å; S1235-Y1237 PolarHBondContact O-N 3.29Å; Y1237-E1239 PolarHBondContact O-N 2.61Å | ||
| 1238 | S | 46.5 | Very low | 46 | Very low | 58 Ų | 58 | 110.7 Ų | 110.7 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | trans | -60.5 | 136.3 | 170.8 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | Q1240 Q1241 | S1238-Q1240 PolarHBondContact O-N 3.15Å; S1238-Q1241 PolarHBondContact O-N 2.97Å | ||
| 1239 | E | 48.8 | Very low | 48.2 | Very low | 142 Ų | 142 | 106.8 Ų | 106.8 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -45.3 | -32.8 | 172.8 | -75.2 | -179.8 | 138.5 | 0 | 0 | 112.4 | Y1237 Q1241 I1242 I1243 | Y1237-E1239 PolarHBondContact O-N 2.61Å; E1239-Q1241 VanDerWaalsContact C-N 3.35Å; E1239-Q1241 PolarHBondContact O-N 2.99Å; E1239-I1242 PolarHBondContact O-N 2.73Å; E1239-I1243 WeakPolarHBondContact O-CD1 3.22Å; E1239-I1243 VanDerWaalsContact O-CG1 3.31Å; E1239-I1243 WeakPolarHBondContact O-CG1 3.48Å; E1239-I1243 PolarHBondContact O-N 3.08Å; E1239-I1243 VanDerWaalsContact O-N 3.08Å |
| 1240 | Q | 54.6 | Low | 50.6 | Low | 144 Ų | 144 | 99.8 Ų | 99.8 | 67% | 0.673 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.8 | -37.9 | 176.9 | -63.9 | -179.4 | -8.9 | 0 | 0 | 113.3 | S1238 I1243 L1244 | S1238-Q1240 PolarHBondContact O-N 3.15Å; Q1240-I1243 PolarHBondContact O-N 3.18Å; Q1240-L1244 VanDerWaalsContact O-CB 3.31Å; Q1240-L1244 WeakPolarHBondContact O-CB 3.38Å; Q1240-L1244 WeakPolarHBondContact O-CD1 3.28Å; Q1240-L1244 VanDerWaalsContact O-CG 3.24Å; Q1240-L1244 WeakPolarHBondContact O-CG 3.39Å; Q1240-L1244 PolarHBondContact O-N 3.07Å |
| 1241 | Q | 55.4 | Low | 52.9 | Low | 100 Ų | 100 | 97.4 Ų | 97.4 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70 | -38 | 178 | -96.2 | 175.8 | -33.8 | 0 | 0 | 112.7 | S1238 E1239 I1243 L1244 S1245 | S1238-Q1241 PolarHBondContact O-N 2.97Å; E1239-Q1241 VanDerWaalsContact C-N 3.35Å; E1239-Q1241 PolarHBondContact O-N 2.99Å; Q1241-I1243 VanDerWaalsContact C-N 3.34Å; Q1241-L1244 PolarHBondContact O-N 3.41Å; Q1241-S1245 WeakPolarHBondContact O-CB 3.26Å; Q1241-S1245 PolarHBondContact O-N 3.44Å; Q1241-S1245 PolarHBondContact O-OG 3.38Å |
| 1242 | I | 57.4 | Low | 55.5 | Low | 59 Ų | 59 | 89 Ų | 89 | 30% | 0.303 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 175.3 | -61.7 | 172.3 | 0 | 0 | 0 | 110.2 | E1239 S1245 R1246 | E1239-I1242 PolarHBondContact O-N 2.73Å; I1242-S1245 WeakPolarHBondContact CA-OG 3.2Å; I1242-S1245 PolarHBondContact O-OG 3.3Å; I1242-R1246 WeakPolarHBondContact O-CB 3.12Å; I1242-R1246 VanDerWaalsContact O-CG 3.22Å; I1242-R1246 WeakPolarHBondContact O-CG 3.32Å; I1242-R1246 PolarHBondContact O-N 2.85Å |
| 1243 | I | 65.6 | Low | 58 | Low | 100 Ų | 100 | 83.7 Ų | 83.7 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.3 | -65.5 | 163.3 | 0 | 0 | 0 | 110 | E1239 Q1240 Q1241 S1245 R1246 T1247 | E1239-I1243 WeakPolarHBondContact O-CD1 3.22Å; E1239-I1243 VanDerWaalsContact O-CG1 3.31Å; E1239-I1243 WeakPolarHBondContact O-CG1 3.48Å; E1239-I1243 PolarHBondContact O-N 3.08Å; E1239-I1243 VanDerWaalsContact O-N 3.08Å; Q1240-I1243 PolarHBondContact O-N 3.18Å; Q1241-I1243 VanDerWaalsContact C-N 3.34Å; I1243-S1245 PolarHBondContact O-N 3.39Å; I1243-R1246 PolarHBondContact O-N 2.64Å; I1243-T1247 WeakPolarHBondContact O-CB 3.41Å; I1243-T1247 PolarHBondContact O-N 2.98Å; I1243-T1247 PolarHBondContact O-OG1 2.81Å |
| 1244 | L | 61.5 | Low | 60.3 | Low | 117 Ų | 117 | 82 Ų | 82 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 177.4 | -81.3 | 158.9 | 0 | 0 | 0 | 112.2 | Q1240 Q1241 T1247 Q1248 | Q1240-L1244 VanDerWaalsContact O-CB 3.31Å; Q1240-L1244 WeakPolarHBondContact O-CB 3.38Å; Q1240-L1244 WeakPolarHBondContact O-CD1 3.28Å; Q1240-L1244 VanDerWaalsContact O-CG 3.24Å; Q1240-L1244 WeakPolarHBondContact O-CG 3.39Å; Q1240-L1244 PolarHBondContact O-N 3.07Å; Q1241-L1244 PolarHBondContact O-N 3.41Å; L1244-T1247 PolarHBondContact O-N 2.92Å; L1244-Q1248 WeakPolarHBondContact O-CB 3.36Å; L1244-Q1248 PolarHBondContact O-N 3.48Å |
| 1245 | S | 67.2 | Low | 62.6 | Low | 29 Ų | 29 | 77.5 Ų | 77.5 | 20% | 0.203 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | L1139 Q1241 I1242 I1243 T1247 Q1248 V1249 | L1139-S1245 WeakPolarHBondContact CD1-OG 3.36Å; Q1241-S1245 WeakPolarHBondContact O-CB 3.26Å; Q1241-S1245 PolarHBondContact O-N 3.44Å; Q1241-S1245 PolarHBondContact O-OG 3.38Å; I1242-S1245 WeakPolarHBondContact CA-OG 3.2Å; I1242-S1245 PolarHBondContact O-OG 3.3Å; I1243-S1245 PolarHBondContact O-N 3.39Å; S1245-T1247 VanDerWaalsContact C-N 3.33Å; S1245-T1247 PolarHBondContact O-N 2.99Å; S1245-Q1248 WeakPolarHBondContact O-CB 3.24Å; S1245-Q1248 PolarHBondContact O-N 3.11Å; S1245-Q1248 VanDerWaalsContact O-N 3.17Å; S1245-V1249 WeakPolarHBondContact O-CG2 3.38Å; S1245-V1249 PolarHBondContact O-N 3.25Å |
| 1246 | R | 70.7 | Confident | 64.9 | Low | 87 Ų | 87 | 77.7 Ų | 77.7 | 33% | 0.328 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 173.1 | -72.1 | 173.6 | -177.7 | 175.7 | 2.6 | 111.8 | L1139 I1242 I1243 Q1248 V1249 L1250 | L1139-R1246 HydrophobicContact CD2-CG 4.12Å; I1242-R1246 WeakPolarHBondContact O-CB 3.12Å; I1242-R1246 VanDerWaalsContact O-CG 3.22Å; I1242-R1246 WeakPolarHBondContact O-CG 3.32Å; I1242-R1246 PolarHBondContact O-N 2.85Å; I1243-R1246 PolarHBondContact O-N 2.64Å; R1246-Q1248 VanDerWaalsContact C-N 3.29Å; R1246-Q1248 PolarHBondContact O-N 3.08Å; R1246-V1249 PolarHBondContact O-N 3.35Å; R1246-L1250 WeakPolarHBondContact O-CG 3.42Å; R1246-L1250 PolarHBondContact O-N 2.9Å |
| 1247 | T | 71.5 | Confident | 66.9 | Low | 53 Ų | 53 | 76.2 Ų | 76.2 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 175.7 | -46.7 | 0 | 0 | 0 | 0 | 110.5 | I1243 L1244 S1245 L1250 I1251 | I1243-T1247 WeakPolarHBondContact O-CB 3.41Å; I1243-T1247 PolarHBondContact O-N 2.98Å; I1243-T1247 PolarHBondContact O-OG1 2.81Å; L1244-T1247 PolarHBondContact O-N 2.92Å; S1245-T1247 VanDerWaalsContact C-N 3.33Å; S1245-T1247 PolarHBondContact O-N 2.99Å; T1247-L1250 PolarHBondContact O-N 3.08Å; T1247-I1251 HydrophobicContact CG2-CD1 4.19Å; T1247-I1251 WeakPolarHBondContact O-CD1 3.22Å; T1247-I1251 VanDerWaalsContact O-CG1 3.22Å; T1247-I1251 WeakPolarHBondContact O-CG1 3.26Å; T1247-I1251 PolarHBondContact O-N 2.84Å |
| 1248 | Q | 75.5 | Confident | 68.9 | Low | 114 Ų | 114 | 69.6 Ų | 69.6 | 53% | 0.533 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -42 | 176.4 | -173.5 | 169.8 | -9.6 | 0 | 0 | 112.5 | L1244 S1245 R1246 L1250 I1251 E1252 | L1244-Q1248 WeakPolarHBondContact O-CB 3.36Å; L1244-Q1248 PolarHBondContact O-N 3.48Å; S1245-Q1248 WeakPolarHBondContact O-CB 3.24Å; S1245-Q1248 PolarHBondContact O-N 3.11Å; S1245-Q1248 VanDerWaalsContact O-N 3.17Å; R1246-Q1248 VanDerWaalsContact C-N 3.29Å; R1246-Q1248 PolarHBondContact O-N 3.08Å; Q1248-L1250 VanDerWaalsContact C-N 3.34Å; Q1248-L1250 PolarHBondContact O-N 3.03Å; Q1248-I1251 PolarHBondContact O-N 3.45Å; Q1248-E1252 PolarHBondContact O-N 3.48Å |
| 1249 | V | 71.9 | Confident | 70.6 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 173.3 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | I1220 S1245 R1246 E1252 I1253 | I1220-V1249 HydrophobicContact CG1-CG1 4.46Å; S1245-V1249 WeakPolarHBondContact O-CG2 3.38Å; S1245-V1249 PolarHBondContact O-N 3.25Å; R1246-V1249 PolarHBondContact O-N 3.35Å; V1249-E1252 PolarHBondContact O-N 3.34Å; V1249-I1253 HydrophobicContact CG1-CD1 3.81Å; V1249-I1253 HydrophobicContact CG1-CG1 4.39Å; V1249-I1253 WeakPolarHBondContact O-CB 3.36Å; V1249-I1253 VanDerWaalsContact O-CG1 3.24Å; V1249-I1253 WeakPolarHBondContact O-CG1 3.17Å; V1249-I1253 PolarHBondContact O-N 3.07Å |
| 1250 | L | 74 | Confident | 72.3 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 176.2 | -73.6 | 168.2 | 0 | 0 | 0 | 112.5 | I1220 R1246 T1247 Q1248 I1253 F1254 V1317 T1320 | I1220-L1250 HydrophobicContact CD1-CD2 4.25Å; I1220-L1250 HydrophobicContact CG1-CD2 4.21Å; I1220-L1250 HydrophobicContact CG2-CD1 4.4Å; I1220-L1250 HydrophobicContact CG2-CD2 3.84Å; I1220-L1250 HydrophobicContact CG2-CG 4.31Å; R1246-L1250 WeakPolarHBondContact O-CG 3.42Å; R1246-L1250 PolarHBondContact O-N 2.9Å; T1247-L1250 PolarHBondContact O-N 3.08Å; Q1248-L1250 VanDerWaalsContact C-N 3.34Å; Q1248-L1250 PolarHBondContact O-N 3.03Å; L1250-I1253 PolarHBondContact O-N 3.24Å; L1250-F1254 PolarHBondContact O-N 2.77Å; L1250-F1254 VanDerWaalsContact O-N 3.08Å; L1250-V1317 HydrophobicContact CD2-CG2 3.6Å; L1250-T1320 HydrophobicContact CD1-CG2 3.66Å |
| 1251 | I | 74.1 | Confident | 73.7 | Confident | 108 Ų | 108 | 56 Ų | 56 | 55% | 0.554 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.7 | -43.3 | 174.1 | -68.8 | 163 | 0 | 0 | 0 | 110.5 | T1247 Q1248 F1254 S1255 | T1247-I1251 HydrophobicContact CG2-CD1 4.19Å; T1247-I1251 WeakPolarHBondContact O-CD1 3.22Å; T1247-I1251 VanDerWaalsContact O-CG1 3.22Å; T1247-I1251 WeakPolarHBondContact O-CG1 3.26Å; T1247-I1251 PolarHBondContact O-N 2.84Å; Q1248-I1251 PolarHBondContact O-N 3.45Å; I1251-F1254 PolarHBondContact O-N 3.16Å; I1251-S1255 WeakPolarHBondContact O-CB 3.19Å; I1251-S1255 PolarHBondContact O-N 3.28Å |
| 1252 | E | 78.1 | Confident | 75.3 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 179.4 | -169 | 61.7 | -155.9 | 0 | 0 | 111.4 | P1142 Q1248 V1249 F1254 S1255 M1256 | P1142-E1252 HydrophobicContact CB-CG 4.28Å; Q1248-E1252 PolarHBondContact O-N 3.48Å; V1249-E1252 PolarHBondContact O-N 3.34Å; E1252-F1254 VanDerWaalsContact C-N 3.27Å; E1252-F1254 PolarHBondContact O-N 2.89Å; E1252-S1255 WeakPolarHBondContact CA-OG 3.46Å; E1252-S1255 PolarHBondContact O-N 3.38Å; E1252-S1255 VanDerWaalsContact O-N 3.13Å; E1252-S1255 PolarHBondContact O-OG 3.33Å; E1252-M1256 PolarHBondContact O-N 3.48Å |
| 1253 | I | 77.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.1 | -44.4 | 174 | -72.9 | 165.3 | 0 | 0 | 0 | 110.9 | I1149 I1220 V1249 L1250 G1258 F1262 V1317 | I1149-I1253 HydrophobicContact CD1-CB 4.18Å; I1149-I1253 HydrophobicContact CD1-CG1 3.87Å; I1149-I1253 HydrophobicContact CD1-CG2 4.4Å; I1220-I1253 HydrophobicContact CD1-CD1 3.65Å; I1220-I1253 HydrophobicContact CG1-CD1 4.15Å; V1249-I1253 HydrophobicContact CG1-CD1 3.81Å; V1249-I1253 HydrophobicContact CG1-CG1 4.39Å; V1249-I1253 WeakPolarHBondContact O-CB 3.36Å; V1249-I1253 VanDerWaalsContact O-CG1 3.24Å; V1249-I1253 WeakPolarHBondContact O-CG1 3.17Å; V1249-I1253 PolarHBondContact O-N 3.07Å; L1250-I1253 PolarHBondContact O-N 3.24Å; I1253-G1258 VanDerWaalsContact O-CA 3.31Å; I1253-G1258 WeakPolarHBondContact O-CA 3.36Å; I1253-G1258 PolarHBondContact O-N 2.85Å; I1253-F1262 HydrophobicContact CG2-CE2 3.61Å; I1253-F1262 HydrophobicContact CG2-CZ 4.26Å; I1253-V1317 HydrophobicContact CG2-CG2 4.49Å |
| 1254 | F | 77.6 | Confident | 77.6 | Confident | 73 Ų | 73 | 47.2 Ų | 47.2 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.1 | -42.8 | 177.3 | -175.8 | -107.1 | 0 | 0 | 0 | 112.1 | L1250 I1251 E1252 M1256 N1257 L1259 I1321 Q1325 F1329 | L1250-F1254 PolarHBondContact O-N 2.77Å; L1250-F1254 VanDerWaalsContact O-N 3.08Å; I1251-F1254 PolarHBondContact O-N 3.16Å; E1252-F1254 VanDerWaalsContact C-N 3.27Å; E1252-F1254 PolarHBondContact O-N 2.89Å; F1254-M1256 VanDerWaalsContact C-N 3.25Å; F1254-M1256 PolarHBondContact O-N 3.41Å; F1254-N1257 PolarHBondContact O-N 2.92Å; F1254-L1259 HydrophobicContact CD2-CB 4.3Å; F1254-L1259 HydrophobicContact CD2-CD2 4.05Å; F1254-L1259 HydrophobicContact CE2-CD2 3.96Å; F1254-I1321 HydrophobicContact CB-CD1 3.79Å; F1254-I1321 HydrophobicContact CD1-CD1 4.17Å; F1254-I1321 HydrophobicContact CD2-CD1 3.19Å; F1254-I1321 HydrophobicContact CE2-CD1 3.71Å; F1254-I1321 HydrophobicContact CG-CD1 3.44Å; F1254-I1321 VanDerWaalsContact CG-CD1 3.44Å; F1254-I1321 HydrophobicContact CZ-CD1 4.38Å; F1254-Q1325 VanDerWaalsContact CE1-NE2 3.34Å; F1254-F1329 HydrophobicContact CE2-CE2 4.47Å |
| 1255 | S | 79.9 | Confident | 78.7 | Confident | 64 Ų | 64 | 41.7 Ų | 41.7 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.9 | -33.4 | 179.8 | 81.6 | 0 | 0 | 0 | 0 | 112.9 | I1251 E1252 N1257 | I1251-S1255 WeakPolarHBondContact O-CB 3.19Å; I1251-S1255 PolarHBondContact O-N 3.28Å; E1252-S1255 WeakPolarHBondContact CA-OG 3.46Å; E1252-S1255 PolarHBondContact O-N 3.38Å; E1252-S1255 VanDerWaalsContact O-N 3.13Å; E1252-S1255 PolarHBondContact O-OG 3.33Å; S1255-N1257 PolarHBondContact O-N 3.35Å |
| 1256 | M | 78.3 | Confident | 79.6 | Confident | 62 Ų | 62 | 40.4 Ų | 40.4 | 31% | 0.305 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 14 | 178.1 | -66.5 | -59.6 | 111.5 | 0 | 0 | 113.5 | S1146 I1149 Q1153 E1252 F1254 G1258 | S1146-M1256 PolarHBondContact OG-SD 2.87Å; S1146-M1256 VanDerWaalsContact OG-SD 3.36Å; I1149-M1256 HydrophobicContact CD1-CB 4.15Å; I1149-M1256 HydrophobicContact CG2-CB 4.35Å; Q1153-M1256 PolarHBondContact NE2-O 2.89Å; E1252-M1256 PolarHBondContact O-N 3.48Å; F1254-M1256 VanDerWaalsContact C-N 3.25Å; F1254-M1256 PolarHBondContact O-N 3.41Å; M1256-G1258 PolarHBondContact O-N 3.14Å |
| 1257 | N | 80.7 | Confident | 80.4 | Confident | 85 Ų | 85 | 38 Ų | 38 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 27.4 | -176.9 | -158.1 | 38.7 | 0 | 0 | 0 | 113.1 | F1254 S1255 L1259 N1260 T1261 | F1254-N1257 PolarHBondContact O-N 2.92Å; S1255-N1257 PolarHBondContact O-N 3.35Å; N1257-L1259 VanDerWaalsContact C-N 3.31Å; N1257-L1259 PolarHBondContact O-N 2.96Å; N1257-N1260 PolarHBondContact O-N 3.45Å; N1257-N1260 WeakPolarHBondContact OD1-CB 3.42Å; N1257-N1260 PolarHBondContact OD1-ND2 3.41Å; N1257-T1261 PolarHBondContact O-N 3.03Å; N1257-T1261 PolarHBondContact O-OG1 2.93Å; N1257-T1261 VanDerWaalsContact O-OG1 3.13Å |
| 1258 | G | 79.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1253 M1256 N1260 T1261 F1262 | I1253-G1258 VanDerWaalsContact O-CA 3.31Å; I1253-G1258 WeakPolarHBondContact O-CA 3.36Å; I1253-G1258 PolarHBondContact O-N 2.85Å; M1256-G1258 PolarHBondContact O-N 3.14Å; G1258-N1260 PolarHBondContact O-N 3.43Å; G1258-T1261 WeakPolarHBondContact O-CA 3.14Å; G1258-T1261 VanDerWaalsContact O-CB 3.28Å; G1258-T1261 WeakPolarHBondContact O-CB 3.35Å; G1258-T1261 PolarHBondContact O-N 3.42Å; G1258-F1262 WeakPolarHBondContact O-CD2 3.29Å; G1258-F1262 WeakPolarHBondContact O-CG 3.33Å; G1258-F1262 PolarHBondContact O-N 3.22Å |
| 1259 | L | 83.5 | Confident | 81.4 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -47.8 | 177.2 | -178.4 | 59.3 | 0 | 0 | 0 | 112.3 | F1254 N1257 T1261 F1262 I1263 V1314 V1317 I1334 | F1254-L1259 HydrophobicContact CD2-CB 4.3Å; F1254-L1259 HydrophobicContact CD2-CD2 4.05Å; F1254-L1259 HydrophobicContact CE2-CD2 3.96Å; N1257-L1259 VanDerWaalsContact C-N 3.31Å; N1257-L1259 PolarHBondContact O-N 2.96Å; L1259-T1261 VanDerWaalsContact C-N 3.29Å; L1259-T1261 PolarHBondContact O-N 3.47Å; L1259-F1262 PolarHBondContact O-N 3.21Å; L1259-I1263 HydrophobicContact CD1-CD1 3.83Å; L1259-I1263 HydrophobicContact CD1-CG1 4.22Å; L1259-I1263 HydrophobicContact CG-CD1 3.7Å; L1259-I1263 WeakPolarHBondContact O-CB 3.5Å; L1259-I1263 WeakPolarHBondContact O-CD1 3.48Å; L1259-I1263 WeakPolarHBondContact O-CG1 3.21Å; L1259-I1263 PolarHBondContact O-N 3.13Å; L1259-V1314 HydrophobicContact CD1-CG1 4.37Å; L1259-V1314 HydrophobicContact CD1-CG2 4.36Å; L1259-V1317 HydrophobicContact CD1-CG1 4.05Å; L1259-V1317 HydrophobicContact CD2-CG1 4.24Å; L1259-I1334 HydrophobicContact CD2-CD1 3.8Å; L1259-I1334 HydrophobicContact CG-CD1 4.35Å |
| 1260 | N | 84.9 | Confident | 82 | Confident | 43 Ų | 43 | 32.6 Ų | 32.6 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | 175.5 | -83.8 | -43.2 | 0 | 0 | 0 | 111.9 | N1257 G1258 I1263 T1264 | N1257-N1260 PolarHBondContact O-N 3.45Å; N1257-N1260 WeakPolarHBondContact OD1-CB 3.42Å; N1257-N1260 PolarHBondContact OD1-ND2 3.41Å; G1258-N1260 PolarHBondContact O-N 3.43Å; N1260-I1263 PolarHBondContact O-N 3.01Å; N1260-T1264 WeakPolarHBondContact O-CB 3.46Å; N1260-T1264 WeakPolarHBondContact O-CG2 3.22Å; N1260-T1264 PolarHBondContact O-N 3.1Å; N1260-T1264 PolarHBondContact O-OG1 3.39Å |
| 1261 | T | 83.3 | Confident | 82.5 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -48.7 | 176.5 | -47.2 | 0 | 0 | 0 | 0 | 110.6 | L1152 Q1153 N1257 G1258 L1259 I1263 T1264 L1265 | L1152-T1261 HydrophobicContact CD2-CG2 4.35Å; L1152-T1261 HydrophobicContact CG-CG2 4.41Å; Q1153-T1261 HydrophobicContact CG-CG2 3.62Å; Q1153-T1261 WeakPolarHBondContact CG-OG1 3.36Å; Q1153-T1261 PolarHBondContact NE2-OG1 3.28Å; Q1153-T1261 VanDerWaalsContact NE2-OG1 3.09Å; N1257-T1261 PolarHBondContact O-N 3.03Å; N1257-T1261 PolarHBondContact O-OG1 2.93Å; N1257-T1261 VanDerWaalsContact O-OG1 3.13Å; G1258-T1261 WeakPolarHBondContact O-CA 3.14Å; G1258-T1261 VanDerWaalsContact O-CB 3.28Å; G1258-T1261 WeakPolarHBondContact O-CB 3.35Å; G1258-T1261 PolarHBondContact O-N 3.42Å; L1259-T1261 VanDerWaalsContact C-N 3.29Å; L1259-T1261 PolarHBondContact O-N 3.47Å; T1261-I1263 PolarHBondContact O-N 3.42Å; T1261-T1264 PolarHBondContact O-N 3.15Å; T1261-T1264 PolarHBondContact O-OG1 3.44Å; T1261-L1265 PolarHBondContact O-N 3.06Å |
| 1262 | F | 87.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 177.4 | -56.5 | -43.7 | 0 | 0 | 0 | 112.4 | L1152 L1213 L1216 I1253 G1258 L1259 T1264 L1265 I1266 L1310 I1313 V1314 | L1152-F1262 HydrophobicContact CD2-CD1 3.94Å; L1152-F1262 HydrophobicContact CD2-CE1 3.51Å; L1213-F1262 HydrophobicContact CD2-CD1 4.14Å; L1213-F1262 HydrophobicContact CD2-CE1 3.92Å; L1216-F1262 HydrophobicContact CD1-CE1 4.22Å; L1216-F1262 HydrophobicContact CD1-CZ 4.07Å; I1253-F1262 HydrophobicContact CG2-CE2 3.61Å; I1253-F1262 HydrophobicContact CG2-CZ 4.26Å; G1258-F1262 WeakPolarHBondContact O-CD2 3.29Å; G1258-F1262 WeakPolarHBondContact O-CG 3.33Å; G1258-F1262 PolarHBondContact O-N 3.22Å; L1259-F1262 PolarHBondContact O-N 3.21Å; F1262-T1264 PolarHBondContact O-N 3.37Å; F1262-L1265 PolarHBondContact O-N 3.39Å; F1262-I1266 WeakPolarHBondContact O-CG1 3.39Å; F1262-I1266 PolarHBondContact O-N 2.99Å; F1262-L1310 HydrophobicContact CB-CD2 3.9Å; F1262-L1310 HydrophobicContact CD1-CD2 3.63Å; F1262-L1310 HydrophobicContact CG-CD2 4.11Å; F1262-I1313 HydrophobicContact CD2-CG2 3.89Å; F1262-I1313 HydrophobicContact CE2-CG2 3.58Å; F1262-I1313 HydrophobicContact CZ-CG2 4.06Å; F1262-V1314 HydrophobicContact CB-CG2 3.9Å |
| 1263 | I | 86.1 | Confident | 82.8 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 178.2 | -68.8 | 162.1 | 0 | 0 | 0 | 111.1 | L1259 N1260 T1261 L1265 I1266 Q1267 I1334 P1337 | L1259-I1263 HydrophobicContact CD1-CD1 3.83Å; L1259-I1263 HydrophobicContact CD1-CG1 4.22Å; L1259-I1263 HydrophobicContact CG-CD1 3.7Å; L1259-I1263 WeakPolarHBondContact O-CB 3.5Å; L1259-I1263 WeakPolarHBondContact O-CD1 3.48Å; L1259-I1263 WeakPolarHBondContact O-CG1 3.21Å; L1259-I1263 PolarHBondContact O-N 3.13Å; N1260-I1263 PolarHBondContact O-N 3.01Å; T1261-I1263 PolarHBondContact O-N 3.42Å; I1263-L1265 VanDerWaalsContact C-N 3.3Å; I1263-L1265 PolarHBondContact O-N 3.31Å; I1263-I1266 PolarHBondContact O-N 3.26Å; I1263-Q1267 WeakPolarHBondContact O-CB 3.36Å; I1263-Q1267 PolarHBondContact O-N 2.98Å; I1263-I1334 HydrophobicContact CD1-CB 4Å; I1263-I1334 HydrophobicContact CD1-CD1 3.91Å; I1263-I1334 HydrophobicContact CD1-CG1 3.54Å; I1263-I1334 HydrophobicContact CD1-CG2 3.81Å; I1263-I1334 HydrophobicContact CG1-CG2 4.1Å; I1263-P1337 HydrophobicContact CG2-CB 4.02Å; I1263-P1337 HydrophobicContact CG2-CG 3.51Å |
| 1264 | T | 86 | Confident | 82.7 | Confident | 62 Ų | 62 | 30.4 Ų | 30.4 | 38% | 0.38 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 177.3 | 58 | 0 | 0 | 0 | 0 | 111.8 | N1260 T1261 F1262 Q1267 K1268 | N1260-T1264 WeakPolarHBondContact O-CB 3.46Å; N1260-T1264 WeakPolarHBondContact O-CG2 3.22Å; N1260-T1264 PolarHBondContact O-N 3.1Å; N1260-T1264 PolarHBondContact O-OG1 3.39Å; T1261-T1264 PolarHBondContact O-N 3.15Å; T1261-T1264 PolarHBondContact O-OG1 3.44Å; F1262-T1264 PolarHBondContact O-N 3.37Å; T1264-Q1267 PolarHBondContact O-N 3.01Å; T1264-K1268 WeakPolarHBondContact O-CB 3.48Å; T1264-K1268 VanDerWaalsContact O-CD 3.24Å; T1264-K1268 WeakPolarHBondContact O-CD 3.47Å; T1264-K1268 WeakPolarHBondContact O-CG 3.17Å; T1264-K1268 PolarHBondContact O-N 3.47Å |
| 1265 | L | 84.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 174.5 | -75 | 168 | 0 | 0 | 0 | 111.9 | L1152 T1156 F1159 T1261 F1262 I1263 K1268 L1269 L1310 | L1152-L1265 HydrophobicContact CD1-CD1 4.15Å; L1152-L1265 HydrophobicContact CD2-CD1 4.12Å; L1152-L1265 HydrophobicContact CG-CD1 4.14Å; T1156-L1265 HydrophobicContact CG2-CD2 3.78Å; T1156-L1265 HydrophobicContact CG2-CG 4.24Å; F1159-L1265 HydrophobicContact CD1-CD2 3.84Å; F1159-L1265 HydrophobicContact CE1-CD2 4.28Å; T1261-L1265 PolarHBondContact O-N 3.06Å; F1262-L1265 PolarHBondContact O-N 3.39Å; I1263-L1265 VanDerWaalsContact C-N 3.3Å; I1263-L1265 PolarHBondContact O-N 3.31Å; L1265-K1268 PolarHBondContact O-N 2.81Å; L1265-L1269 WeakPolarHBondContact O-CB 3.27Å; L1265-L1269 WeakPolarHBondContact O-CG 3.24Å; L1265-L1269 PolarHBondContact O-N 3.05Å; L1265-L1310 HydrophobicContact CB-CD1 3.87Å; L1265-L1310 HydrophobicContact CB-CD2 4.46Å; L1265-L1310 HydrophobicContact CD1-CD2 4.32Å |
| 1266 | I | 86.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59 | -49.5 | 174.9 | -69 | 173.4 | 0 | 0 | 0 | 110.2 | F1262 I1263 K1268 L1269 S1270 F1307 L1310 V1314 P1337 A1341 | F1262-I1266 WeakPolarHBondContact O-CG1 3.39Å; F1262-I1266 PolarHBondContact O-N 2.99Å; I1263-I1266 PolarHBondContact O-N 3.26Å; I1266-K1268 PolarHBondContact O-N 3.06Å; I1266-L1269 PolarHBondContact O-N 3.3Å; I1266-S1270 PolarHBondContact O-N 3.4Å; I1266-S1270 PolarHBondContact O-OG 3.45Å; I1266-F1307 HydrophobicContact CB-CE1 4.47Å; I1266-F1307 HydrophobicContact CG2-CE1 4.06Å; I1266-L1310 HydrophobicContact CD1-CB 4.03Å; I1266-L1310 HydrophobicContact CG1-CB 3.83Å; I1266-L1310 HydrophobicContact CG1-CD1 3.94Å; I1266-L1310 HydrophobicContact CG1-CG 4.41Å; I1266-V1314 HydrophobicContact CD1-CG2 3.91Å; I1266-P1337 HydrophobicContact CG2-CB 4.06Å; I1266-A1341 HydrophobicContact CG2-CB 3.87Å |
| 1267 | Q | 87.9 | Confident | 81.7 | Confident | 38 Ų | 38 | 26.8 Ų | 26.8 | 18% | 0.178 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | -179.6 | -175.3 | 65.8 | 48.5 | 0 | 0 | 111.4 | I1263 T1264 L1269 S1270 D1271 P1337 | I1263-Q1267 WeakPolarHBondContact O-CB 3.36Å; I1263-Q1267 PolarHBondContact O-N 2.98Å; T1264-Q1267 PolarHBondContact O-N 3.01Å; Q1267-L1269 VanDerWaalsContact C-N 3.33Å; Q1267-L1269 PolarHBondContact O-N 3.35Å; Q1267-S1270 WeakPolarHBondContact CA-OG 3.24Å; Q1267-S1270 PolarHBondContact O-N 3.2Å; Q1267-S1270 PolarHBondContact O-OG 3.39Å; Q1267-D1271 PolarHBondContact NE2-OD1 2.76Å; Q1267-D1271 WeakPolarHBondContact O-CB 3.13Å; Q1267-D1271 PolarHBondContact O-N 3.03Å; Q1267-P1337 HydrophobicContact CB-CB 4.2Å; Q1267-P1337 HydrophobicContact CB-CG 4.28Å; Q1267-P1337 VanDerWaalsContact OE1-CA 3.26Å |
| 1268 | K | 84.9 | Confident | 81 | Confident | 56 Ų | 56 | 29 Ų | 29 | 24% | 0.243 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 179 | -72.8 | 160.8 | 163.4 | -155.8 | 0 | 112.5 | T1156 N1160 T1264 L1265 I1266 F1272 | T1156-K1268 HydrophobicContact CG2-CD 4.46Å; T1156-K1268 VanDerWaalsContact CG2-NZ 3.26Å; N1160-K1268 VanDerWaalsContact ND2-CE 3.27Å; N1160-K1268 WeakPolarHBondContact ND2-CE 3.4Å; N1160-K1268 PolarHBondContact ND2-NZ 3.16Å; N1160-K1268 WeakPolarHBondContact OD1-CD 3.39Å; N1160-K1268 VanDerWaalsContact OD1-CE 3.24Å; N1160-K1268 WeakPolarHBondContact OD1-CE 3.48Å; N1160-K1268 PolarHBondContact OD1-NZ 2.87Å; T1264-K1268 WeakPolarHBondContact O-CB 3.48Å; T1264-K1268 VanDerWaalsContact O-CD 3.24Å; T1264-K1268 WeakPolarHBondContact O-CD 3.47Å; T1264-K1268 WeakPolarHBondContact O-CG 3.17Å; T1264-K1268 PolarHBondContact O-N 3.47Å; L1265-K1268 PolarHBondContact O-N 2.81Å; I1266-K1268 PolarHBondContact O-N 3.06Å; K1268-F1272 PolarHBondContact O-N 3.5Å |
| 1269 | L | 83.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 174.3 | -80.5 | 177.2 | 0 | 0 | 0 | 112.1 | F1159 L1163 L1265 I1266 Q1267 F1272 F1273 I1303 I1306 F1307 L1310 | F1159-L1269 HydrophobicContact CE1-CD2 3.72Å; F1159-L1269 HydrophobicContact CE1-CG 3.92Å; F1159-L1269 HydrophobicContact CZ-CD2 3.45Å; F1159-L1269 VanDerWaalsContact CZ-CD2 3.45Å; F1159-L1269 HydrophobicContact CZ-CG 4.07Å; L1163-L1269 HydrophobicContact CD1-CD2 4.21Å; L1163-L1269 HydrophobicContact CD2-CD2 4.36Å; L1265-L1269 WeakPolarHBondContact O-CB 3.27Å; L1265-L1269 WeakPolarHBondContact O-CG 3.24Å; L1265-L1269 PolarHBondContact O-N 3.05Å; I1266-L1269 PolarHBondContact O-N 3.3Å; Q1267-L1269 VanDerWaalsContact C-N 3.33Å; Q1267-L1269 PolarHBondContact O-N 3.35Å; L1269-F1272 WeakPolarHBondContact O-CB 3.45Å; L1269-F1272 PolarHBondContact O-N 3.04Å; L1269-F1273 VanDerWaalsContact O-CD2 3.22Å; L1269-F1273 WeakPolarHBondContact O-CD2 3.11Å; L1269-F1273 PolarHBondContact O-N 3.28Å; L1269-F1273 VanDerWaalsContact O-N 3.15Å; L1269-I1303 HydrophobicContact CD1-CG2 4.34Å; L1269-I1303 HydrophobicContact CD2-CB 4.4Å; L1269-I1303 HydrophobicContact CD2-CG1 4.21Å; L1269-I1303 HydrophobicContact CD2-CG2 3.45Å; L1269-I1303 VanDerWaalsContact CD2-CG2 3.45Å; L1269-I1303 HydrophobicContact CG-CG2 4.4Å; L1269-I1306 HydrophobicContact CD1-CB 4.39Å; L1269-I1306 HydrophobicContact CD1-CG2 3.69Å; L1269-F1307 HydrophobicContact CB-CD1 4.4Å; L1269-F1307 HydrophobicContact CB-CE1 3.59Å; L1269-F1307 HydrophobicContact CB-CE2 4.06Å; L1269-F1307 HydrophobicContact CB-CZ 3.4Å; L1269-F1307 VanDerWaalsContact CB-CZ 3.4Å; L1269-F1307 HydrophobicContact CD1-CD1 4.06Å; L1269-F1307 HydrophobicContact CD1-CE1 4.07Å; L1269-F1307 HydrophobicContact CD1-CG 4.36Å; L1269-F1307 HydrophobicContact CD1-CZ 4.42Å; L1269-F1307 HydrophobicContact CG-CE1 4.49Å; L1269-L1310 HydrophobicContact CD1-CD1 4.18Å |
| 1270 | S | 84 | Confident | 78.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | 177.9 | 61 | 0 | 0 | 0 | 0 | 112.1 | I1266 Q1267 F1272 F1273 I1274 H1340 | I1266-S1270 PolarHBondContact O-N 3.4Å; I1266-S1270 PolarHBondContact O-OG 3.45Å; Q1267-S1270 WeakPolarHBondContact CA-OG 3.24Å; Q1267-S1270 PolarHBondContact O-N 3.2Å; Q1267-S1270 PolarHBondContact O-OG 3.39Å; S1270-F1272 VanDerWaalsContact C-N 3.32Å; S1270-F1272 PolarHBondContact O-N 2.88Å; S1270-F1273 PolarHBondContact O-N 3.14Å; S1270-I1274 WeakPolarHBondContact O-CB 3.42Å; S1270-I1274 WeakPolarHBondContact O-CD1 3.33Å; S1270-I1274 VanDerWaalsContact O-CG1 3.28Å; S1270-I1274 WeakPolarHBondContact O-CG1 3.31Å; S1270-I1274 PolarHBondContact O-N 3.31Å; S1270-H1340 WeakPolarHBondContact OG-CB 3.45Å |
| 1271 | D | 83.8 | Confident | 77.3 | Confident | 75 Ų | 75 | 35.7 Ų | 35.7 | 40% | 0.401 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 175.3 | -67.6 | -17.3 | 0 | 0 | 0 | 110.6 | Q1267 I1274 L1275 | Q1267-D1271 PolarHBondContact NE2-OD1 2.76Å; Q1267-D1271 WeakPolarHBondContact O-CB 3.13Å; Q1267-D1271 PolarHBondContact O-N 3.03Å; D1271-I1274 PolarHBondContact O-N 3.27Å; D1271-L1275 VanDerWaalsContact O-CB 3.25Å; D1271-L1275 WeakPolarHBondContact O-CB 3.45Å; D1271-L1275 PolarHBondContact O-N 2.97Å |
| 1272 | F | 81.1 | Confident | 75.9 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.7 | -52.2 | 172.7 | 171.4 | -87.6 | 0 | 0 | 0 | 111.7 | L1163 I1166 L1167 K1268 L1269 S1270 L1275 Q1276 I1303 | L1163-F1272 HydrophobicContact CB-CD2 4.04Å; L1163-F1272 HydrophobicContact CD1-CB 4.42Å; L1163-F1272 HydrophobicContact CD2-CD2 3.96Å; L1163-F1272 HydrophobicContact CD2-CE2 4.26Å; L1163-F1272 HydrophobicContact CD2-CG 4.18Å; L1163-F1272 HydrophobicContact CG-CD2 4.46Å; I1166-F1272 HydrophobicContact CB-CE2 4.38Å; I1166-F1272 HydrophobicContact CG2-CE2 4.11Å; I1166-F1272 HydrophobicContact CG2-CZ 3.94Å; L1167-F1272 HydrophobicContact CB-CE2 4.34Å; L1167-F1272 HydrophobicContact CD1-CD2 3.32Å; L1167-F1272 HydrophobicContact CD1-CE2 3.69Å; L1167-F1272 HydrophobicContact CD1-CG 4.28Å; L1167-F1272 HydrophobicContact CG-CD2 3.76Å; L1167-F1272 HydrophobicContact CG-CE2 3.55Å; L1167-F1272 HydrophobicContact CG-CZ 4.48Å; K1268-F1272 PolarHBondContact O-N 3.5Å; L1269-F1272 WeakPolarHBondContact O-CB 3.45Å; L1269-F1272 PolarHBondContact O-N 3.04Å; S1270-F1272 VanDerWaalsContact C-N 3.32Å; S1270-F1272 PolarHBondContact O-N 2.88Å; F1272-L1275 PolarHBondContact O-N 3.48Å; F1272-Q1276 WeakPolarHBondContact O-CB 3.42Å; F1272-Q1276 PolarHBondContact O-N 3.04Å; F1272-I1303 HydrophobicContact CD1-CD1 4.49Å; F1272-I1303 HydrophobicContact CE1-CD1 4.13Å |
| 1273 | F | 76.7 | Confident | 73.7 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -37.4 | -178.6 | -80.5 | -64.7 | 0 | 0 | 0 | 113.3 | L1269 S1270 L1275 Q1276 L1277 I1293 I1300 I1303 F1304 F1307 C1344 | L1269-F1273 VanDerWaalsContact O-CD2 3.22Å; L1269-F1273 WeakPolarHBondContact O-CD2 3.11Å; L1269-F1273 PolarHBondContact O-N 3.28Å; L1269-F1273 VanDerWaalsContact O-N 3.15Å; S1270-F1273 PolarHBondContact O-N 3.14Å; F1273-L1275 VanDerWaalsContact C-N 3.31Å; F1273-Q1276 PolarHBondContact O-N 3.28Å; F1273-L1277 WeakPolarHBondContact O-CB 3.3Å; F1273-L1277 PolarHBondContact O-N 3.08Å; F1273-I1293 HydrophobicContact CD1-CG2 4.2Å; F1273-I1293 HydrophobicContact CE1-CG2 4.02Å; F1273-I1300 HydrophobicContact CE1-CG2 4.15Å; F1273-I1300 HydrophobicContact CZ-CG2 4.3Å; F1273-I1303 HydrophobicContact CD2-CG2 4.43Å; F1273-I1303 HydrophobicContact CE2-CB 4.37Å; F1273-I1303 HydrophobicContact CE2-CG2 3.25Å; F1273-I1303 HydrophobicContact CZ-CB 4.15Å; F1273-I1303 HydrophobicContact CZ-CD1 4.43Å; F1273-I1303 HydrophobicContact CZ-CG2 3.49Å; F1273-I1303 VanDerWaalsContact CZ-CG2 3.49Å; F1273-F1304 HydrophobicContact CE1-CE2 4.07Å; F1273-F1304 HydrophobicContact CE1-CZ 4.08Å; F1273-F1304 HydrophobicContact CE2-CE2 4.5Å; F1273-F1304 HydrophobicContact CE2-CZ 4.08Å; F1273-F1304 HydrophobicContact CZ-CD2 4.41Å; F1273-F1304 HydrophobicContact CZ-CE1 4.47Å; F1273-F1304 AromaticContact CZ-CE2 3.71Å; F1273-F1304 HydrophobicContact CZ-CE2 3.71Å; F1273-F1304 AromaticContact CZ-CZ 3.68Å; F1273-F1304 HydrophobicContact CZ-CZ 3.68Å; F1273-F1307 AromaticContact CD2-CE2 3.65Å; F1273-F1307 HydrophobicContact CD2-CE2 3.65Å; F1273-F1307 HydrophobicContact CD2-CZ 4.32Å; F1273-F1307 HydrophobicContact CE2-CD2 4.1Å; F1273-F1307 AromaticContact CE2-CE2 3.51Å; F1273-F1307 HydrophobicContact CE2-CE2 3.51Å; F1273-F1307 HydrophobicContact CE2-CZ 4.48Å; F1273-C1344 HydrophobicContact CB-CB 4.3Å; F1273-C1344 HydrophobicContact CD2-CB 4.42Å |
| 1274 | I | 75.7 | Confident | 71.5 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 177.8 | -71.6 | 162.9 | 0 | 0 | 0 | 110 | S1270 D1271 L1277 Q1278 H1340 F1409 | S1270-I1274 WeakPolarHBondContact O-CB 3.42Å; S1270-I1274 WeakPolarHBondContact O-CD1 3.33Å; S1270-I1274 VanDerWaalsContact O-CG1 3.28Å; S1270-I1274 WeakPolarHBondContact O-CG1 3.31Å; S1270-I1274 PolarHBondContact O-N 3.31Å; D1271-I1274 PolarHBondContact O-N 3.27Å; I1274-L1277 PolarHBondContact O-N 3.46Å; I1274-Q1278 WeakPolarHBondContact O-CB 3.32Å; I1274-Q1278 PolarHBondContact O-N 3.29Å; I1274-H1340 HydrophobicContact CD1-CB 4.04Å; I1274-H1340 WeakPolarHBondContact CD1-CD2 3.47Å; I1274-F1409 HydrophobicContact CD1-CE1 4.03Å; I1274-F1409 HydrophobicContact CD1-CZ 3.99Å; I1274-F1409 HydrophobicContact CG1-CE1 4.46Å; I1274-F1409 HydrophobicContact CG2-CZ 4.47Å |
| 1275 | L | 76.6 | Confident | 69.3 | Low | 94 Ų | 94 | 50.1 Ų | 50.1 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.1 | -164.1 | 73.8 | 0 | 0 | 0 | 111.5 | L1167 D1271 F1272 F1273 L1277 Q1278 A1279 | L1167-L1275 HydrophobicContact CD1-CD2 3.92Å; L1167-L1275 HydrophobicContact CD2-CD2 3.85Å; L1167-L1275 HydrophobicContact CD2-CG 4.36Å; D1271-L1275 VanDerWaalsContact O-CB 3.25Å; D1271-L1275 WeakPolarHBondContact O-CB 3.45Å; D1271-L1275 PolarHBondContact O-N 2.97Å; F1272-L1275 PolarHBondContact O-N 3.48Å; F1273-L1275 VanDerWaalsContact C-N 3.31Å; L1275-L1277 VanDerWaalsContact C-N 3.35Å; L1275-Q1278 PolarHBondContact O-N 3.26Å; L1275-A1279 WeakPolarHBondContact O-CB 3.27Å; L1275-A1279 PolarHBondContact O-N 2.96Å |
| 1276 | Q | 72.3 | Confident | 66.9 | Low | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.3 | -168.6 | 179.3 | 22.8 | 0 | 0 | 111.3 | E1170 F1272 F1273 A1279 T1280 I1293 | E1170-Q1276 PolarHBondContact OE2-NE2 3.31Å; F1272-Q1276 WeakPolarHBondContact O-CB 3.42Å; F1272-Q1276 PolarHBondContact O-N 3.04Å; F1273-Q1276 PolarHBondContact O-N 3.28Å; Q1276-A1279 WeakPolarHBondContact O-CB 3.42Å; Q1276-A1279 PolarHBondContact O-N 3.46Å; Q1276-T1280 WeakPolarHBondContact O-CG2 3.17Å; Q1276-T1280 PolarHBondContact O-N 3.34Å; Q1276-T1280 PolarHBondContact O-OG1 3.11Å; Q1276-I1293 HydrophobicContact CB-CD1 4.5Å; Q1276-I1293 HydrophobicContact CG-CD1 4.27Å; Q1276-I1293 HydrophobicContact CG-CG1 4.49Å |
| 1277 | L | 65.8 | Low | 64.5 | Low | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.3 | -168.5 | 154 | 0 | 0 | 0 | 111.5 | F1273 I1274 L1275 A1279 T1280 L1281 I1293 F1347 | F1273-L1277 WeakPolarHBondContact O-CB 3.3Å; F1273-L1277 PolarHBondContact O-N 3.08Å; I1274-L1277 PolarHBondContact O-N 3.46Å; L1275-L1277 VanDerWaalsContact C-N 3.35Å; L1277-A1279 VanDerWaalsContact C-N 3.31Å; L1277-A1279 PolarHBondContact O-N 2.89Å; L1277-T1280 WeakPolarHBondContact CA-OG1 3.46Å; L1277-T1280 PolarHBondContact O-N 2.91Å; L1277-T1280 PolarHBondContact O-OG1 3.27Å; L1277-L1281 HydrophobicContact CD2-CD1 3.24Å; L1277-L1281 HydrophobicContact CG-CD1 4.1Å; L1277-L1281 WeakPolarHBondContact O-CB 3.29Å; L1277-L1281 PolarHBondContact O-N 3.48Å; L1277-I1293 HydrophobicContact CB-CD1 4.28Å; L1277-F1347 HydrophobicContact CD1-CB 3.23Å; L1277-F1347 HydrophobicContact CD1-CD1 4.13Å; L1277-F1347 HydrophobicContact CD1-CD2 3.45Å; L1277-F1347 VanDerWaalsContact CD1-CD2 3.45Å; L1277-F1347 HydrophobicContact CD1-CE2 4.31Å; L1277-F1347 HydrophobicContact CD1-CG 3.35Å |
| 1278 | Q | 66.7 | Low | 61.9 | Low | 132 Ų | 132 | 68.1 Ų | 68.1 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.8 | -38.5 | 174.1 | -175.4 | 175.8 | -11 | 0 | 0 | 111.8 | I1274 L1275 S1282 | I1274-Q1278 WeakPolarHBondContact O-CB 3.32Å; I1274-Q1278 PolarHBondContact O-N 3.29Å; L1275-Q1278 PolarHBondContact O-N 3.26Å; Q1278-S1282 WeakPolarHBondContact O-CB 3.39Å; Q1278-S1282 PolarHBondContact O-N 3.16Å; Q1278-S1282 VanDerWaalsContact O-N 3.14Å; Q1278-S1282 PolarHBondContact O-OG 2.72Å |
| 1279 | A | 62.6 | Low | 59.4 | Low | 33 Ų | 33 | 71.8 Ų | 71.8 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.2 | -50.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1275 Q1276 L1277 L1281 S1282 Q1283 | L1275-A1279 WeakPolarHBondContact O-CB 3.27Å; L1275-A1279 PolarHBondContact O-N 2.96Å; Q1276-A1279 WeakPolarHBondContact O-CB 3.42Å; Q1276-A1279 PolarHBondContact O-N 3.46Å; L1277-A1279 VanDerWaalsContact C-N 3.31Å; L1277-A1279 PolarHBondContact O-N 2.89Å; A1279-L1281 PolarHBondContact O-N 3.37Å; A1279-S1282 PolarHBondContact O-N 2.7Å; A1279-S1282 PolarHBondContact O-OG 2.74Å; A1279-Q1283 WeakPolarHBondContact O-CG 3.49Å; A1279-Q1283 PolarHBondContact O-N 2.73Å |
| 1280 | T | 55.5 | Low | 57 | Low | 45 Ų | 45 | 76 Ų | 76 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 178.4 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | Q1276 L1277 S1282 Q1283 A1284 | Q1276-T1280 WeakPolarHBondContact O-CG2 3.17Å; Q1276-T1280 PolarHBondContact O-N 3.34Å; Q1276-T1280 PolarHBondContact O-OG1 3.11Å; L1277-T1280 WeakPolarHBondContact CA-OG1 3.46Å; L1277-T1280 PolarHBondContact O-N 2.91Å; L1277-T1280 PolarHBondContact O-OG1 3.27Å; T1280-S1282 VanDerWaalsContact C-N 3.28Å; T1280-S1282 PolarHBondContact O-N 3.45Å; T1280-Q1283 PolarHBondContact O-N 3.37Å; T1280-Q1283 VanDerWaalsContact O-N 3.11Å; T1280-A1284 PolarHBondContact O-N 3.05Å; T1280-A1284 VanDerWaalsContact O-N 3.14Å |
| 1281 | L | 51.1 | Low | 54.9 | Low | 111 Ų | 111 | 80.5 Ų | 80.5 | 58% | 0.581 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.3 | -33.9 | 175.4 | -100.4 | 132.1 | 0 | 0 | 0 | 113.3 | L1277 A1279 Q1283 | L1277-L1281 HydrophobicContact CD2-CD1 3.24Å; L1277-L1281 HydrophobicContact CG-CD1 4.1Å; L1277-L1281 WeakPolarHBondContact O-CB 3.29Å; L1277-L1281 PolarHBondContact O-N 3.48Å; A1279-L1281 PolarHBondContact O-N 3.37Å; L1281-Q1283 VanDerWaalsContact C-N 3.25Å; L1281-Q1283 PolarHBondContact O-N 2.82Å |
| 1282 | S | 53.8 | Low | 52.8 | Low | 97 Ų | 97 | 82.1 Ų | 82.1 | 68% | 0.678 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.4 | -19.5 | 177.3 | 72 | 0 | 0 | 0 | 0 | 113.7 | Q1278 A1279 T1280 | Q1278-S1282 WeakPolarHBondContact O-CB 3.39Å; Q1278-S1282 PolarHBondContact O-N 3.16Å; Q1278-S1282 VanDerWaalsContact O-N 3.14Å; Q1278-S1282 PolarHBondContact O-OG 2.72Å; A1279-S1282 PolarHBondContact O-N 2.7Å; A1279-S1282 PolarHBondContact O-OG 2.74Å; T1280-S1282 VanDerWaalsContact C-N 3.28Å; T1280-S1282 PolarHBondContact O-N 3.45Å |
| 1283 | Q | 42.6 | Very low | 51.4 | Low | 101 Ų | 101 | 82 Ų | 82 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -97.7 | -22 | -179.9 | -64 | -178.2 | 14.9 | 0 | 0 | 113.5 | D1174 A1279 T1280 L1281 N1285 | D1174-Q1283 PolarHBondContact OD2-NE2 2.95Å; D1174-Q1283 PolarHBondContact OD2-OE1 3.14Å; A1279-Q1283 WeakPolarHBondContact O-CG 3.49Å; A1279-Q1283 PolarHBondContact O-N 2.73Å; T1280-Q1283 PolarHBondContact O-N 3.37Å; T1280-Q1283 VanDerWaalsContact O-N 3.11Å; L1281-Q1283 VanDerWaalsContact C-N 3.25Å; L1281-Q1283 PolarHBondContact O-N 2.82Å; Q1283-N1285 PolarHBondContact O-N 3.07Å |
| 1284 | A | 39 | Very low | 50.4 | Low | 35 Ų | 35 | 83.1 Ų | 83.1 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | trans | -72.6 | 95.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1280 N1286 L1290 | T1280-A1284 PolarHBondContact O-N 3.05Å; T1280-A1284 VanDerWaalsContact O-N 3.14Å; A1284-N1286 VanDerWaalsContact C-N 3.34Å; A1284-L1290 HydrophobicContact CB-CB 4.08Å; A1284-L1290 HydrophobicContact CB-CD1 4.11Å | ||
| 1285 | N | 39.9 | Very low | 49.2 | Very low | 155 Ų | 155 | 81.5 Ų | 81.5 | 83% | 0.829 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -80.2 | -14.6 | 169.1 | -78.7 | -22.6 | 0 | 0 | 0 | 113.2 | Q1283 | Q1283-N1285 PolarHBondContact O-N 3.07Š|
| 1286 | N | 35.1 | Very low | 47.8 | Very low | 125 Ų | 125 | 81.7 Ų | 81.7 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -128.1 | 127 | 178.7 | -74.3 | -28.1 | 0 | 0 | 0 | 109.8 | A1284 I1288 | A1284-N1286 VanDerWaalsContact C-N 3.34Å; N1286-I1288 VanDerWaalsContact C-N 3.28Å; N1286-I1288 PolarHBondContact O-N 3.46Å |
| 1287 | T | 35.6 | Very low | 47.3 | Very low | 142 Ų | 142 | 83.6 Ų | 83.6 | 87% | 0.871 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -76.9 | -6.2 | -173.4 | 50.8 | 0 | 0 | 0 | 0 | 115 | ||
| 1288 | I | 33.2 | Very low | 47.1 | Very low | 151 Ų | 151 | 87 Ų | 87 | 77% | 0.774 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -98.1 | -23.9 | -168 | -63.2 | 175 | 0 | 0 | 0 | 113.1 | N1286 | N1286-I1288 VanDerWaalsContact C-N 3.28Å; N1286-I1288 PolarHBondContact O-N 3.46Å |
| 1289 | D | 32.2 | Very low | 47.1 | Very low | 132 Ų | 132 | 82.4 Ų | 82.4 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -115.4 | 8.5 | -173.6 | -80.7 | -14.5 | 0 | 0 | 0 | 115.4 | ||
| 1290 | L | 33.1 | Very low | 47.3 | Very low | 90 Ų | 90 | 81.1 Ų | 81.1 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | trans | -143 | 87.1 | -166.8 | -76.8 | 161.7 | 0 | 0 | 0 | 114.6 | A1284 | A1284-L1290 HydrophobicContact CB-CB 4.08Å; A1284-L1290 HydrophobicContact CB-CD1 4.11Å | ||
| 1291 | I | 40 | Very low | 47.9 | Very low | 93 Ų | 93 | 80.3 Ų | 80.3 | 48% | 0.477 | 46% | 0.458 | S | S | . | . | trans | -133.6 | 63.1 | 139.7 | -51.2 | 178.3 | 0 | 0 | 0 | 106.5 | I1293 F1347 | I1291-I1293 PolarHBondContact O-N 3.42Å; I1291-F1347 VanDerWaalsContact CG2-O 3.32Å; I1291-F1347 WeakPolarHBondContact CG2-O 3.44Å | ||
| 1292 | D | 40.8 | Very low | 48.7 | Very low | 110 Ų | 110 | 76.9 Ų | 76.9 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | trans | -82.9 | 40.2 | -171.9 | -78.7 | -11.2 | 0 | 0 | 0 | 113.4 | S1294 | D1292-S1294 PolarHBondContact O-N 2.87Š| ||
| 1293 | I | 51.9 | Low | 49.7 | Very low | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | trans | -76.4 | 70.4 | 154.8 | -53.6 | -178.5 | 0 | 0 | 0 | 106.6 | F1273 Q1276 L1277 I1291 I1300 T1348 | F1273-I1293 HydrophobicContact CD1-CG2 4.2Å; F1273-I1293 HydrophobicContact CE1-CG2 4.02Å; Q1276-I1293 HydrophobicContact CB-CD1 4.5Å; Q1276-I1293 HydrophobicContact CG-CD1 4.27Å; Q1276-I1293 HydrophobicContact CG-CG1 4.49Å; L1277-I1293 HydrophobicContact CB-CD1 4.28Å; I1291-I1293 PolarHBondContact O-N 3.42Å; I1293-I1300 HydrophobicContact CG2-CD1 3.94Å; I1293-I1300 HydrophobicContact CG2-CG2 4.32Å; I1293-T1348 HydrophobicContact CG2-CG2 4.02Å | ||
| 1294 | S | 54.1 | Low | 51.4 | Low | 29 Ų | 29 | 67.7 Ų | 67.7 | 20% | 0.203 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 126.3 | -179 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | D1292 C1296 N1297 | D1292-S1294 PolarHBondContact O-N 2.87Å; S1294-C1296 PolarHBondContact O-N 3.2Å; S1294-C1296 WeakPolarHBondContact OG-CB 3.24Å; S1294-C1296 PolarHBondContact OG-N 2.97Å; S1294-C1296 VanDerWaalsContact OG-N 3.16Å; S1294-C1296 PolarHBondContact OG-SG 3.31Å; S1294-N1297 PolarHBondContact O-N 3.29Å; S1294-N1297 VanDerWaalsContact O-N 3.15Å |
| 1295 | T | 51.9 | Low | 53.4 | Low | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -3.9 | 170.1 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | N1297 F1304 C1350 K1355 | T1295-N1297 VanDerWaalsContact C-N 3.29Å; T1295-F1304 HydrophobicContact CG2-CD2 4.34Å; T1295-F1304 HydrophobicContact CG2-CE2 4.45Å; T1295-C1350 HydrophobicContact CG2-CB 4.37Å; T1295-K1355 PolarHBondContact O-NZ 2.92Å |
| 1296 | C | 47.4 | Very low | 55.4 | Low | 97 Ų | 97 | 59.3 Ų | 59.3 | 66% | 0.655 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22.4 | 172.7 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | S1294 S1298 | S1294-C1296 PolarHBondContact O-N 3.2Å; S1294-C1296 WeakPolarHBondContact OG-CB 3.24Å; S1294-C1296 PolarHBondContact OG-N 2.97Å; S1294-C1296 VanDerWaalsContact OG-N 3.16Å; S1294-C1296 PolarHBondContact OG-SG 3.31Å; C1296-S1298 PolarHBondContact O-N 3.25Å |
| 1297 | N | 61.5 | Low | 57.7 | Low | 53 Ų | 53 | 53.5 Ų | 53.5 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -70.4 | 123.7 | 171.5 | -175.8 | -16.3 | 0 | 0 | 0 | 109.8 | E1170 S1294 T1295 N1299 I1300 S1301 | E1170-N1297 PolarHBondContact OE1-ND2 2.92Å; S1294-N1297 PolarHBondContact O-N 3.29Å; S1294-N1297 VanDerWaalsContact O-N 3.15Å; T1295-N1297 VanDerWaalsContact C-N 3.29Å; N1297-N1299 VanDerWaalsContact C-N 3.26Å; N1297-N1299 PolarHBondContact O-N 2.86Å; N1297-N1299 PolarHBondContact OD1-N 3.25Å; N1297-I1300 HydrophobicContact CB-CB 4.06Å; N1297-I1300 HydrophobicContact CB-CD1 3.77Å; N1297-I1300 HydrophobicContact CB-CG1 3.84Å; N1297-I1300 PolarHBondContact O-N 2.86Å; N1297-I1300 VanDerWaalsContact O-N 3.13Å; N1297-S1301 PolarHBondContact O-N 3.46Å |
| 1298 | S | 61.5 | Low | 60 | Low | 87 Ų | 87 | 47 Ų | 47 | 61% | 0.608 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -57.6 | -36.7 | -179 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | C1296 S1301 L1302 | C1296-S1298 PolarHBondContact O-N 3.25Å; S1298-S1301 PolarHBondContact O-N 2.81Å; S1298-L1302 WeakPolarHBondContact O-CB 3.48Å; S1298-L1302 PolarHBondContact O-N 3.46Å |
| 1299 | N | 65.5 | Low | 62.4 | Low | 35 Ų | 35 | 39.9 Ų | 39.9 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 177 | -70.4 | -27.5 | 0 | 0 | 0 | 110.9 | N1297 S1301 L1302 I1303 | N1297-N1299 VanDerWaalsContact C-N 3.26Å; N1297-N1299 PolarHBondContact O-N 2.86Å; N1297-N1299 PolarHBondContact OD1-N 3.25Å; N1299-S1301 PolarHBondContact O-N 2.87Å; N1299-L1302 PolarHBondContact O-N 3.07Å; N1299-I1303 VanDerWaalsContact O-CG1 3.29Å; N1299-I1303 WeakPolarHBondContact O-CG1 3.39Å; N1299-I1303 PolarHBondContact O-N 2.98Å |
| 1300 | I | 67.5 | Low | 65 | Low | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.8 | -62.8 | -178.9 | 0 | 0 | 0 | 110.4 | F1273 I1293 N1297 L1302 I1303 F1304 | F1273-I1300 HydrophobicContact CE1-CG2 4.15Å; F1273-I1300 HydrophobicContact CZ-CG2 4.3Å; I1293-I1300 HydrophobicContact CG2-CD1 3.94Å; I1293-I1300 HydrophobicContact CG2-CG2 4.32Å; N1297-I1300 HydrophobicContact CB-CB 4.06Å; N1297-I1300 HydrophobicContact CB-CD1 3.77Å; N1297-I1300 HydrophobicContact CB-CG1 3.84Å; N1297-I1300 PolarHBondContact O-N 2.86Å; N1297-I1300 VanDerWaalsContact O-N 3.13Å; I1300-L1302 VanDerWaalsContact C-N 3.3Å; I1300-L1302 PolarHBondContact O-N 3.31Å; I1300-I1303 WeakPolarHBondContact O-CB 3.26Å; I1300-I1303 PolarHBondContact O-N 3.34Å; I1300-F1304 HydrophobicContact CG2-CD2 3.68Å; I1300-F1304 HydrophobicContact CG2-CE2 3.44Å; I1300-F1304 VanDerWaalsContact CG2-CE2 3.44Å; I1300-F1304 VanDerWaalsContact O-CD2 3.23Å; I1300-F1304 WeakPolarHBondContact O-CD2 3.47Å; I1300-F1304 PolarHBondContact O-N 3.24Å |
| 1301 | S | 68.3 | Low | 67.5 | Low | 29 Ų | 29 | 29.4 Ų | 29.4 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 175.7 | -169.8 | 0 | 0 | 0 | 0 | 112.8 | N1297 S1298 N1299 S1305 | N1297-S1301 PolarHBondContact O-N 3.46Å; S1298-S1301 PolarHBondContact O-N 2.81Å; N1299-S1301 PolarHBondContact O-N 2.87Å; S1301-S1305 PolarHBondContact O-N 3.12Å; S1301-S1305 VanDerWaalsContact O-N 3.12Å; S1301-S1305 PolarHBondContact O-OG 3.3Å |
| 1302 | L | 67.4 | Low | 69.5 | Low | 38 Ų | 38 | 25.7 Ų | 25.7 | 20% | 0.199 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.9 | -40.3 | 178.1 | -150.8 | 146.8 | 0 | 0 | 0 | 110.4 | I1205 L1210 S1298 N1299 I1300 S1305 I1306 | I1205-L1302 HydrophobicContact CG2-CD2 3.99Å; L1210-L1302 HydrophobicContact CB-CD2 4.43Å; L1210-L1302 HydrophobicContact CD1-CD2 4.29Å; L1210-L1302 HydrophobicContact CD1-CG 4.39Å; S1298-L1302 WeakPolarHBondContact O-CB 3.48Å; S1298-L1302 PolarHBondContact O-N 3.46Å; N1299-L1302 PolarHBondContact O-N 3.07Å; I1300-L1302 VanDerWaalsContact C-N 3.3Å; I1300-L1302 PolarHBondContact O-N 3.31Å; L1302-S1305 WeakPolarHBondContact O-CB 3.39Å; L1302-S1305 PolarHBondContact O-N 3.49Å; L1302-I1306 HydrophobicContact CD2-CD1 3.9Å; L1302-I1306 HydrophobicContact CD2-CG1 4.43Å; L1302-I1306 WeakPolarHBondContact O-CG1 3.22Å; L1302-I1306 PolarHBondContact O-N 3.42Å |
| 1303 | I | 75.3 | Confident | 71.5 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 172.7 | -68.4 | 165.7 | 0 | 0 | 0 | 111.6 | L1163 I1205 L1269 F1272 F1273 N1299 I1300 S1305 I1306 F1307 | L1163-I1303 HydrophobicContact CD2-CD1 4.2Å; I1205-I1303 HydrophobicContact CD1-CD1 3.75Å; I1205-I1303 HydrophobicContact CD1-CG1 3.63Å; L1269-I1303 HydrophobicContact CD1-CG2 4.34Å; L1269-I1303 HydrophobicContact CD2-CB 4.4Å; L1269-I1303 HydrophobicContact CD2-CG1 4.21Å; L1269-I1303 HydrophobicContact CD2-CG2 3.45Å; L1269-I1303 VanDerWaalsContact CD2-CG2 3.45Å; L1269-I1303 HydrophobicContact CG-CG2 4.4Å; F1272-I1303 HydrophobicContact CD1-CD1 4.49Å; F1272-I1303 HydrophobicContact CE1-CD1 4.13Å; F1273-I1303 HydrophobicContact CD2-CG2 4.43Å; F1273-I1303 HydrophobicContact CE2-CB 4.37Å; F1273-I1303 HydrophobicContact CE2-CG2 3.25Å; F1273-I1303 HydrophobicContact CZ-CB 4.15Å; F1273-I1303 HydrophobicContact CZ-CD1 4.43Å; F1273-I1303 HydrophobicContact CZ-CG2 3.49Å; F1273-I1303 VanDerWaalsContact CZ-CG2 3.49Å; N1299-I1303 VanDerWaalsContact O-CG1 3.29Å; N1299-I1303 WeakPolarHBondContact O-CG1 3.39Å; N1299-I1303 PolarHBondContact O-N 2.98Å; I1300-I1303 WeakPolarHBondContact O-CB 3.26Å; I1300-I1303 PolarHBondContact O-N 3.34Å; I1303-S1305 VanDerWaalsContact C-N 3.26Å; I1303-S1305 PolarHBondContact O-N 2.92Å; I1303-I1306 CarbonylContact O-C 3.56Å; I1303-I1306 WeakPolarHBondContact O-CA 3.36Å; I1303-I1306 WeakPolarHBondContact O-CB 3.38Å; I1303-I1306 PolarHBondContact O-N 3.2Å; I1303-I1306 VanDerWaalsContact O-N 3.07Å; I1303-F1307 HydrophobicContact CG2-CD2 4.34Å; I1303-F1307 PolarHBondContact O-N 3.42Å |
| 1304 | F | 79.1 | Confident | 73.2 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.8 | -32.5 | 176.9 | -82.3 | -64.3 | 0 | 0 | 0 | 113 | F1273 T1295 I1300 I1306 F1307 D1308 T1348 L1359 I1362 | F1273-F1304 HydrophobicContact CE1-CE2 4.07Å; F1273-F1304 HydrophobicContact CE1-CZ 4.08Å; F1273-F1304 HydrophobicContact CE2-CE2 4.5Å; F1273-F1304 HydrophobicContact CE2-CZ 4.08Å; F1273-F1304 HydrophobicContact CZ-CD2 4.41Å; F1273-F1304 HydrophobicContact CZ-CE1 4.47Å; F1273-F1304 AromaticContact CZ-CE2 3.71Å; F1273-F1304 HydrophobicContact CZ-CE2 3.71Å; F1273-F1304 AromaticContact CZ-CZ 3.68Å; F1273-F1304 HydrophobicContact CZ-CZ 3.68Å; T1295-F1304 HydrophobicContact CG2-CD2 4.34Å; T1295-F1304 HydrophobicContact CG2-CE2 4.45Å; I1300-F1304 HydrophobicContact CG2-CD2 3.68Å; I1300-F1304 HydrophobicContact CG2-CE2 3.44Å; I1300-F1304 VanDerWaalsContact CG2-CE2 3.44Å; I1300-F1304 VanDerWaalsContact O-CD2 3.23Å; I1300-F1304 WeakPolarHBondContact O-CD2 3.47Å; I1300-F1304 PolarHBondContact O-N 3.24Å; F1304-I1306 VanDerWaalsContact C-N 3.33Å; F1304-F1307 HydrophobicContact CD1-CD2 4.13Å; F1304-F1307 HydrophobicContact CE1-CD2 4.14Å; F1304-F1307 PolarHBondContact O-N 3.29Å; F1304-D1308 PolarHBondContact O-N 3.45Å; F1304-T1348 HydrophobicContact CE1-CG2 4.18Å; F1304-T1348 HydrophobicContact CE2-CG2 3.73Å; F1304-T1348 HydrophobicContact CZ-CG2 3.23Å; F1304-L1359 HydrophobicContact CD1-CD2 3.77Å; F1304-L1359 HydrophobicContact CE1-CD2 3.78Å; F1304-L1359 HydrophobicContact CG-CD2 4.47Å; F1304-L1359 HydrophobicContact CZ-CD2 4.46Å; F1304-I1362 HydrophobicContact CD1-CD1 4.31Å |
| 1305 | S | 79.1 | Confident | 74.6 | Confident | 15 Ų | 15 | 19.5 Ų | 19.5 | 11% | 0.105 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.1 | -31.1 | 173.8 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | S1301 L1302 I1303 S1309 Q1358 | S1301-S1305 PolarHBondContact O-N 3.12Å; S1301-S1305 VanDerWaalsContact O-N 3.12Å; S1301-S1305 PolarHBondContact O-OG 3.3Å; L1302-S1305 WeakPolarHBondContact O-CB 3.39Å; L1302-S1305 PolarHBondContact O-N 3.49Å; I1303-S1305 VanDerWaalsContact C-N 3.26Å; I1303-S1305 PolarHBondContact O-N 2.92Å; S1305-S1309 PolarHBondContact O-N 3.21Å; S1305-S1309 PolarHBondContact O-OG 3.44Å; S1305-S1309 VanDerWaalsContact O-OG 3.08Å; S1305-Q1358 PolarHBondContact OG-NE2 2.99Å |
| 1306 | I | 81.9 | Confident | 76 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | 169.4 | -68.5 | 168 | 0 | 0 | 0 | 109.8 | F1159 I1205 I1209 L1210 L1213 L1269 L1302 I1303 F1304 D1308 S1309 L1310 | F1159-I1306 HydrophobicContact CE2-CD1 4.31Å; F1159-I1306 HydrophobicContact CZ-CD1 4.49Å; I1205-I1306 HydrophobicContact CG2-CD1 4.38Å; I1209-I1306 HydrophobicContact CG2-CD1 4.45Å; L1210-I1306 HydrophobicContact CB-CG1 3.96Å; L1210-I1306 HydrophobicContact CD1-CG1 4.14Å; L1213-I1306 HydrophobicContact CD1-CG2 3.74Å; L1269-I1306 HydrophobicContact CD1-CB 4.39Å; L1269-I1306 HydrophobicContact CD1-CG2 3.69Å; L1302-I1306 HydrophobicContact CD2-CD1 3.9Å; L1302-I1306 HydrophobicContact CD2-CG1 4.43Å; L1302-I1306 WeakPolarHBondContact O-CG1 3.22Å; L1302-I1306 PolarHBondContact O-N 3.42Å; I1303-I1306 CarbonylContact O-C 3.56Å; I1303-I1306 WeakPolarHBondContact O-CA 3.36Å; I1303-I1306 WeakPolarHBondContact O-CB 3.38Å; I1303-I1306 PolarHBondContact O-N 3.2Å; I1303-I1306 VanDerWaalsContact O-N 3.07Å; F1304-I1306 VanDerWaalsContact C-N 3.33Å; I1306-D1308 PolarHBondContact O-N 2.87Å; I1306-S1309 PolarHBondContact O-N 3.15Å; I1306-L1310 HydrophobicContact CG2-CD1 3.58Å; I1306-L1310 HydrophobicContact CG2-CG 4.2Å; I1306-L1310 WeakPolarHBondContact O-CB 3.29Å; I1306-L1310 WeakPolarHBondContact O-CG 3.5Å; I1306-L1310 PolarHBondContact O-N 2.92Å |
| 1307 | F | 84 | Confident | 77.7 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57 | -47.6 | 174.9 | -92.7 | -41.8 | 0 | 0 | 0 | 112.2 | I1266 L1269 F1273 I1303 F1304 S1309 L1310 T1311 A1341 I1362 | I1266-F1307 HydrophobicContact CB-CE1 4.47Å; I1266-F1307 HydrophobicContact CG2-CE1 4.06Å; L1269-F1307 HydrophobicContact CB-CD1 4.4Å; L1269-F1307 HydrophobicContact CB-CE1 3.59Å; L1269-F1307 HydrophobicContact CB-CE2 4.06Å; L1269-F1307 HydrophobicContact CB-CZ 3.4Å; L1269-F1307 VanDerWaalsContact CB-CZ 3.4Å; L1269-F1307 HydrophobicContact CD1-CD1 4.06Å; L1269-F1307 HydrophobicContact CD1-CE1 4.07Å; L1269-F1307 HydrophobicContact CD1-CG 4.36Å; L1269-F1307 HydrophobicContact CD1-CZ 4.42Å; L1269-F1307 HydrophobicContact CG-CE1 4.49Å; F1273-F1307 AromaticContact CD2-CE2 3.65Å; F1273-F1307 HydrophobicContact CD2-CE2 3.65Å; F1273-F1307 HydrophobicContact CD2-CZ 4.32Å; F1273-F1307 HydrophobicContact CE2-CD2 4.1Å; F1273-F1307 AromaticContact CE2-CE2 3.51Å; F1273-F1307 HydrophobicContact CE2-CE2 3.51Å; F1273-F1307 HydrophobicContact CE2-CZ 4.48Å; I1303-F1307 HydrophobicContact CG2-CD2 4.34Å; I1303-F1307 PolarHBondContact O-N 3.42Å; F1304-F1307 HydrophobicContact CD1-CD2 4.13Å; F1304-F1307 HydrophobicContact CE1-CD2 4.14Å; F1304-F1307 PolarHBondContact O-N 3.29Å; F1307-S1309 VanDerWaalsContact C-N 3.28Å; F1307-S1309 PolarHBondContact O-N 2.98Å; F1307-L1310 PolarHBondContact O-N 3.25Å; F1307-T1311 WeakPolarHBondContact O-CG2 3.45Å; F1307-T1311 PolarHBondContact O-N 2.95Å; F1307-T1311 PolarHBondContact O-OG1 3.46Å; F1307-A1341 HydrophobicContact CE1-CB 4.09Å; F1307-A1341 HydrophobicContact CZ-CB 4.44Å; F1307-I1362 HydrophobicContact CB-CD1 4.3Å |
| 1308 | D | 84.8 | Confident | 78.7 | Confident | 7 Ų | 7 | 12.8 Ų | 12.8 | 4% | 0.037 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.2 | -42.9 | 177.6 | -175.9 | 49.4 | 0 | 0 | 0 | 112.5 | R1217 F1304 I1306 T1311 Q1312 Q1358 I1362 | R1217-D1308 IonicContact CZ-OD2 3.88Å; R1217-D1308 IonicContact NH1-OD2 2.74Å; R1217-D1308 PolarHBondContact NH1-OD2 2.8Å; R1217-D1308 IonicContact NH2-OD2 3.42Å; F1304-D1308 PolarHBondContact O-N 3.45Å; I1306-D1308 PolarHBondContact O-N 2.87Å; D1308-T1311 PolarHBondContact O-OG1 2.83Å; D1308-Q1312 VanDerWaalsContact CG-NE2 3.28Å; D1308-Q1312 WeakPolarHBondContact O-CB 3.23Å; D1308-Q1312 VanDerWaalsContact O-CG 3.27Å; D1308-Q1312 WeakPolarHBondContact O-CG 3.44Å; D1308-Q1312 PolarHBondContact O-N 3.21Å; D1308-Q1312 PolarHBondContact O-NE2 3.47Å; D1308-Q1312 PolarHBondContact OD1-NE2 2.95Å; D1308-Q1312 PolarHBondContact OD2-NE2 3.32Å; D1308-Q1358 HydrophobicContact CB-CG 4.34Å; D1308-I1362 HydrophobicContact CB-CD1 4.09Å; D1308-I1362 HydrophobicContact CB-CG1 3.95Å |
| 1309 | S | 83 | Confident | 79.5 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -73.1 | -41.3 | 179.3 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | S1305 I1306 F1307 I1313 | S1305-S1309 PolarHBondContact O-N 3.21Å; S1305-S1309 PolarHBondContact O-OG 3.44Å; S1305-S1309 VanDerWaalsContact O-OG 3.08Å; I1306-S1309 PolarHBondContact O-N 3.15Å; F1307-S1309 VanDerWaalsContact C-N 3.28Å; F1307-S1309 PolarHBondContact O-N 2.98Å; S1309-I1313 WeakPolarHBondContact O-CD1 3.22Å; S1309-I1313 WeakPolarHBondContact O-CG1 3.49Å; S1309-I1313 PolarHBondContact O-N 3.39Å; S1309-I1313 VanDerWaalsContact O-N 3.16Å |
| 1310 | L | 87.3 | Confident | 80 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.9 | -47.8 | 179.7 | -74.8 | 170.4 | 0 | 0 | 0 | 112.6 | L1213 F1262 L1265 I1266 L1269 I1306 F1307 Q1312 I1313 V1314 | L1213-L1310 HydrophobicContact CD1-CD1 4.42Å; L1213-L1310 HydrophobicContact CD1-CD2 3.97Å; L1213-L1310 HydrophobicContact CD1-CG 3.87Å; L1213-L1310 HydrophobicContact CD2-CD2 3.58Å; L1213-L1310 HydrophobicContact CD2-CG 4.28Å; L1213-L1310 HydrophobicContact CG-CD2 4.45Å; F1262-L1310 HydrophobicContact CB-CD2 3.9Å; F1262-L1310 HydrophobicContact CD1-CD2 3.63Å; F1262-L1310 HydrophobicContact CG-CD2 4.11Å; L1265-L1310 HydrophobicContact CB-CD1 3.87Å; L1265-L1310 HydrophobicContact CB-CD2 4.46Å; L1265-L1310 HydrophobicContact CD1-CD2 4.32Å; I1266-L1310 HydrophobicContact CD1-CB 4.03Å; I1266-L1310 HydrophobicContact CG1-CB 3.83Å; I1266-L1310 HydrophobicContact CG1-CD1 3.94Å; I1266-L1310 HydrophobicContact CG1-CG 4.41Å; L1269-L1310 HydrophobicContact CD1-CD1 4.18Å; I1306-L1310 HydrophobicContact CG2-CD1 3.58Å; I1306-L1310 HydrophobicContact CG2-CG 4.2Å; I1306-L1310 WeakPolarHBondContact O-CB 3.29Å; I1306-L1310 WeakPolarHBondContact O-CG 3.5Å; I1306-L1310 PolarHBondContact O-N 2.92Å; F1307-L1310 PolarHBondContact O-N 3.25Å; L1310-Q1312 VanDerWaalsContact C-N 3.35Å; L1310-Q1312 PolarHBondContact O-N 2.93Å; L1310-I1313 PolarHBondContact O-N 3.05Å; L1310-V1314 WeakPolarHBondContact O-CB 3.26Å; L1310-V1314 VanDerWaalsContact O-CG2 3.32Å; L1310-V1314 WeakPolarHBondContact O-CG2 2.97Å; L1310-V1314 PolarHBondContact O-N 3.48Å |
| 1311 | T | 85.1 | Confident | 80.5 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.3 | -37.8 | -176.4 | 55 | 0 | 0 | 0 | 0 | 111.8 | F1307 D1308 V1314 S1315 I1362 I1366 | F1307-T1311 WeakPolarHBondContact O-CG2 3.45Å; F1307-T1311 PolarHBondContact O-N 2.95Å; F1307-T1311 PolarHBondContact O-OG1 3.46Å; D1308-T1311 PolarHBondContact O-OG1 2.83Å; T1311-V1314 PolarHBondContact O-N 3.13Å; T1311-S1315 WeakPolarHBondContact O-CB 3.23Å; T1311-S1315 PolarHBondContact O-N 3.37Å; T1311-S1315 PolarHBondContact O-OG 3.38Å; T1311-I1362 HydrophobicContact CG2-CG2 4.14Å; T1311-I1366 HydrophobicContact CG2-CD1 4.07Å; T1311-I1366 HydrophobicContact CG2-CG1 3.87Å |
| 1312 | Q | 83 | Confident | 80.8 | Confident | 14 Ų | 14 | 14.6 Ų | 14.6 | 7% | 0.065 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 174.4 | -74.4 | -177.9 | 42.8 | 0 | 0 | 113 | R1217 L1221 D1308 L1310 S1315 A1316 S1365 | R1217-Q1312 VanDerWaalsContact CZ-NE2 3.32Å; L1221-Q1312 HydrophobicContact CD1-CB 4.11Å; D1308-Q1312 VanDerWaalsContact CG-NE2 3.28Å; D1308-Q1312 WeakPolarHBondContact O-CB 3.23Å; D1308-Q1312 VanDerWaalsContact O-CG 3.27Å; D1308-Q1312 WeakPolarHBondContact O-CG 3.44Å; D1308-Q1312 PolarHBondContact O-N 3.21Å; D1308-Q1312 PolarHBondContact O-NE2 3.47Å; D1308-Q1312 PolarHBondContact OD1-NE2 2.95Å; D1308-Q1312 PolarHBondContact OD2-NE2 3.32Å; L1310-Q1312 VanDerWaalsContact C-N 3.35Å; L1310-Q1312 PolarHBondContact O-N 2.93Å; Q1312-S1315 PolarHBondContact O-OG 3.48Å; Q1312-S1315 VanDerWaalsContact O-OG 3.05Å; Q1312-A1316 WeakPolarHBondContact O-CB 3.38Å; Q1312-A1316 PolarHBondContact O-N 3.49Å; Q1312-A1316 VanDerWaalsContact O-N 3.11Å; Q1312-S1365 WeakPolarHBondContact CG-OG 3.44Å |
| 1313 | I | 82.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 175.2 | -68.7 | 167.3 | 0 | 0 | 0 | 109.9 | L1213 L1216 R1217 I1220 F1262 S1309 L1310 S1315 A1316 V1317 | L1213-I1313 HydrophobicContact CD2-CD1 4.25Å; L1216-I1313 HydrophobicContact CB-CD1 4.01Å; R1217-I1313 HydrophobicContact CB-CD1 4.34Å; R1217-I1313 HydrophobicContact CB-CG1 4.34Å; I1220-I1313 HydrophobicContact CD1-CG1 4.06Å; I1220-I1313 HydrophobicContact CD1-CG2 3.98Å; F1262-I1313 HydrophobicContact CD2-CG2 3.89Å; F1262-I1313 HydrophobicContact CE2-CG2 3.58Å; F1262-I1313 HydrophobicContact CZ-CG2 4.06Å; S1309-I1313 WeakPolarHBondContact O-CD1 3.22Å; S1309-I1313 WeakPolarHBondContact O-CG1 3.49Å; S1309-I1313 PolarHBondContact O-N 3.39Å; S1309-I1313 VanDerWaalsContact O-N 3.16Å; L1310-I1313 PolarHBondContact O-N 3.05Å; I1313-S1315 PolarHBondContact O-N 3.15Å; I1313-A1316 PolarHBondContact O-N 2.82Å; I1313-V1317 HydrophobicContact CG2-CG2 4.36Å; I1313-V1317 VanDerWaalsContact O-CG2 3.24Å; I1313-V1317 WeakPolarHBondContact O-CG2 3.42Å; I1313-V1317 PolarHBondContact O-N 3.21Å |
| 1314 | V | 87.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 179.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L1259 F1262 I1266 L1310 T1311 A1316 V1317 L1318 I1334 L1338 | L1259-V1314 HydrophobicContact CD1-CG1 4.37Å; L1259-V1314 HydrophobicContact CD1-CG2 4.36Å; F1262-V1314 HydrophobicContact CB-CG2 3.9Å; I1266-V1314 HydrophobicContact CD1-CG2 3.91Å; L1310-V1314 WeakPolarHBondContact O-CB 3.26Å; L1310-V1314 VanDerWaalsContact O-CG2 3.32Å; L1310-V1314 WeakPolarHBondContact O-CG2 2.97Å; L1310-V1314 PolarHBondContact O-N 3.48Å; T1311-V1314 PolarHBondContact O-N 3.13Å; V1314-A1316 PolarHBondContact O-N 3.49Å; V1314-V1317 PolarHBondContact O-N 3.21Å; V1314-L1318 HydrophobicContact CG1-CD1 3.84Å; V1314-L1318 HydrophobicContact CG1-CG 4.23Å; V1314-L1318 VanDerWaalsContact O-CG 3.3Å; V1314-L1318 WeakPolarHBondContact O-CG 3.41Å; V1314-L1318 PolarHBondContact O-N 3.28Å; V1314-I1334 HydrophobicContact CG1-CG2 4.34Å; V1314-L1338 HydrophobicContact CG1-CD2 4.32Å |
| 1315 | S | 84.6 | Confident | 80 | Confident | 12 Ų | 12 | 25.1 Ų | 25.1 | 8% | 0.084 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 179.4 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | T1311 Q1312 I1313 L1318 R1319 S1365 | T1311-S1315 WeakPolarHBondContact O-CB 3.23Å; T1311-S1315 PolarHBondContact O-N 3.37Å; T1311-S1315 PolarHBondContact O-OG 3.38Å; Q1312-S1315 PolarHBondContact O-OG 3.48Å; Q1312-S1315 VanDerWaalsContact O-OG 3.05Å; I1313-S1315 PolarHBondContact O-N 3.15Å; S1315-L1318 PolarHBondContact O-N 3.07Å; S1315-R1319 WeakPolarHBondContact O-CB 3.33Å; S1315-R1319 WeakPolarHBondContact O-CG 3.4Å; S1315-R1319 PolarHBondContact O-N 3.11Å; S1315-S1365 WeakPolarHBondContact CB-O 3.27Å |
| 1316 | A | 80.8 | Confident | 79.3 | Confident | 14 Ų | 14 | 25.2 Ų | 25.2 | 12% | 0.116 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1220 Q1312 I1313 V1314 T1320 | I1220-A1316 HydrophobicContact CG2-CB 3.86Å; Q1312-A1316 WeakPolarHBondContact O-CB 3.38Å; Q1312-A1316 PolarHBondContact O-N 3.49Å; Q1312-A1316 VanDerWaalsContact O-N 3.11Å; I1313-A1316 PolarHBondContact O-N 2.82Å; V1314-A1316 PolarHBondContact O-N 3.49Å; A1316-T1320 PolarHBondContact O-N 3.38Å; A1316-T1320 PolarHBondContact O-OG1 3.46Å; A1316-T1320 VanDerWaalsContact O-OG1 3.08Å |
| 1317 | V | 82.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -45.4 | 175.7 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L1250 I1253 L1259 I1313 V1314 R1319 T1320 I1321 | L1250-V1317 HydrophobicContact CD2-CG2 3.6Å; I1253-V1317 HydrophobicContact CG2-CG2 4.49Å; L1259-V1317 HydrophobicContact CD1-CG1 4.05Å; L1259-V1317 HydrophobicContact CD2-CG1 4.24Å; I1313-V1317 HydrophobicContact CG2-CG2 4.36Å; I1313-V1317 VanDerWaalsContact O-CG2 3.24Å; I1313-V1317 WeakPolarHBondContact O-CG2 3.42Å; I1313-V1317 PolarHBondContact O-N 3.21Å; V1314-V1317 PolarHBondContact O-N 3.21Å; V1317-R1319 PolarHBondContact O-N 3.48Å; V1317-T1320 PolarHBondContact O-N 3.17Å; V1317-T1320 PolarHBondContact O-OG1 3.3Å; V1317-I1321 HydrophobicContact CG1-CD1 3.4Å; V1317-I1321 VanDerWaalsContact CG1-CD1 3.4Å; V1317-I1321 HydrophobicContact CG1-CG1 4.2Å; V1317-I1321 WeakPolarHBondContact O-CB 3.43Å; V1317-I1321 VanDerWaalsContact O-CG1 3.31Å; V1317-I1321 WeakPolarHBondContact O-CG1 3.16Å; V1317-I1321 PolarHBondContact O-N 3.25Å |
| 1318 | L | 82 | Confident | 77.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 178.6 | -69.4 | 172.7 | 0 | 0 | 0 | 112.3 | V1314 S1315 T1320 I1322 F1329 I1334 L1338 A1372 Y1373 | V1314-L1318 HydrophobicContact CG1-CD1 3.84Å; V1314-L1318 HydrophobicContact CG1-CG 4.23Å; V1314-L1318 VanDerWaalsContact O-CG 3.3Å; V1314-L1318 WeakPolarHBondContact O-CG 3.41Å; V1314-L1318 PolarHBondContact O-N 3.28Å; S1315-L1318 PolarHBondContact O-N 3.07Å; L1318-T1320 PolarHBondContact O-N 3.48Å; L1318-I1322 HydrophobicContact CB-CD1 4.13Å; L1318-I1322 HydrophobicContact CD2-CD1 4.13Å; L1318-I1322 WeakPolarHBondContact O-CB 3.29Å; L1318-I1322 WeakPolarHBondContact O-CG1 3.47Å; L1318-I1322 PolarHBondContact O-N 3.4Å; L1318-I1322 VanDerWaalsContact O-N 3.14Å; L1318-F1329 HydrophobicContact CD2-CE1 4.31Å; L1318-F1329 HydrophobicContact CD2-CZ 4.08Å; L1318-I1334 HydrophobicContact CD1-CG2 4.26Å; L1318-I1334 HydrophobicContact CD2-CD1 3.81Å; L1318-I1334 HydrophobicContact CD2-CG2 4.42Å; L1318-L1338 HydrophobicContact CD1-CD1 4.17Å; L1318-A1372 HydrophobicContact CB-CB 4.35Å; L1318-Y1373 HydrophobicContact CD1-CE2 4.13Å; L1318-Y1373 HydrophobicContact CD2-CE2 4.17Å |
| 1319 | R | 79.5 | Confident | 76.1 | Confident | 132 Ų | 132 | 36 Ų | 36 | 50% | 0.498 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.5 | -29.2 | 176.8 | -82.7 | 178.5 | 163.9 | -179 | -1.2 | 113.8 | S1315 V1317 P1323 A1372 | S1315-R1319 WeakPolarHBondContact O-CB 3.33Å; S1315-R1319 WeakPolarHBondContact O-CG 3.4Å; S1315-R1319 PolarHBondContact O-N 3.11Å; V1317-R1319 PolarHBondContact O-N 3.48Å; R1319-P1323 WeakPolarHBondContact O-CD 3.49Å; R1319-P1323 VanDerWaalsContact O-CG 3.26Å; R1319-P1323 WeakPolarHBondContact O-CG 3.4Å; R1319-A1372 HydrophobicContact CG-CB 4.11Å |
| 1320 | T | 75.5 | Confident | 75.2 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -93.3 | -37.4 | -179.4 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | L1250 A1316 V1317 L1318 V1324 | L1250-T1320 HydrophobicContact CD1-CG2 3.66Å; A1316-T1320 PolarHBondContact O-N 3.38Å; A1316-T1320 PolarHBondContact O-OG1 3.46Å; A1316-T1320 VanDerWaalsContact O-OG1 3.08Å; V1317-T1320 PolarHBondContact O-N 3.17Å; V1317-T1320 PolarHBondContact O-OG1 3.3Å; L1318-T1320 PolarHBondContact O-N 3.48Å; T1320-V1324 WeakPolarHBondContact O-CG2 3.3Å |
| 1321 | I | 76.9 | Confident | 74.4 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -78.1 | -45.3 | -175.4 | -66.1 | -180 | 0 | 0 | 0 | 112.6 | F1254 V1317 V1324 Q1325 F1329 | F1254-I1321 HydrophobicContact CB-CD1 3.79Å; F1254-I1321 HydrophobicContact CD1-CD1 4.17Å; F1254-I1321 HydrophobicContact CD2-CD1 3.19Å; F1254-I1321 HydrophobicContact CE2-CD1 3.71Å; F1254-I1321 HydrophobicContact CG-CD1 3.44Å; F1254-I1321 VanDerWaalsContact CG-CD1 3.44Å; F1254-I1321 HydrophobicContact CZ-CD1 4.38Å; V1317-I1321 HydrophobicContact CG1-CD1 3.4Å; V1317-I1321 VanDerWaalsContact CG1-CD1 3.4Å; V1317-I1321 HydrophobicContact CG1-CG1 4.2Å; V1317-I1321 WeakPolarHBondContact O-CB 3.43Å; V1317-I1321 VanDerWaalsContact O-CG1 3.31Å; V1317-I1321 WeakPolarHBondContact O-CG1 3.16Å; V1317-I1321 PolarHBondContact O-N 3.25Å; I1321-V1324 PolarHBondContact O-N 3.44Å; I1321-Q1325 HydrophobicContact CG2-CG 4.02Å; I1321-Q1325 PolarHBondContact O-N 3.47Å; I1321-F1329 HydrophobicContact CG2-CD2 3.77Å; I1321-F1329 HydrophobicContact CG2-CE2 3.93Å; I1321-F1329 HydrophobicContact CG2-CG 4.48Å |
| 1322 | I | 75.2 | Confident | 73.8 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -47 | -173.8 | -66.2 | 170.5 | 0 | 0 | 0 | 111.2 | L1318 V1324 G1326 F1329 A1372 Y1373 | L1318-I1322 HydrophobicContact CB-CD1 4.13Å; L1318-I1322 HydrophobicContact CD2-CD1 4.13Å; L1318-I1322 WeakPolarHBondContact O-CB 3.29Å; L1318-I1322 WeakPolarHBondContact O-CG1 3.47Å; L1318-I1322 PolarHBondContact O-N 3.4Å; L1318-I1322 VanDerWaalsContact O-N 3.14Å; I1322-V1324 VanDerWaalsContact C-N 3.26Å; I1322-V1324 PolarHBondContact O-N 3.35Å; I1322-G1326 WeakPolarHBondContact O-CA 3.29Å; I1322-G1326 PolarHBondContact O-N 2.83Å; I1322-F1329 HydrophobicContact CD1-CE1 4.43Å; I1322-F1329 HydrophobicContact CG1-CD1 3.95Å; I1322-F1329 HydrophobicContact CG1-CE1 4.03Å; I1322-A1372 HydrophobicContact CD1-CB 4.05Å; I1322-Y1373 HydrophobicContact CD1-CD1 3.98Å; I1322-Y1373 HydrophobicContact CD1-CD2 3.72Å; I1322-Y1373 HydrophobicContact CD1-CE1 4.01Å; I1322-Y1373 HydrophobicContact CD1-CE2 3.75Å; I1322-Y1373 HydrophobicContact CD1-CG 3.84Å |
| 1323 | P | 68.8 | Low | 73.7 | Confident | 77 Ų | 77 | 54.5 Ų | 54.5 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.2 | -26.3 | 176.4 | -22.3 | 35.1 | 0 | 0 | 0 | 114.2 | R1319 | R1319-P1323 WeakPolarHBondContact O-CD 3.49Å; R1319-P1323 VanDerWaalsContact O-CG 3.26Å; R1319-P1323 WeakPolarHBondContact O-CG 3.4Å |
| 1324 | V | 69.3 | Low | 73.7 | Confident | 123 Ų | 123 | 54.5 Ų | 54.5 | 75% | 0.745 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -85.6 | -44.3 | -175.7 | 173.5 | 0 | 0 | 0 | 0 | 112 | T1320 I1321 I1322 | T1320-V1324 WeakPolarHBondContact O-CG2 3.3Å; I1321-V1324 PolarHBondContact O-N 3.44Å; I1322-V1324 VanDerWaalsContact C-N 3.26Å; I1322-V1324 PolarHBondContact O-N 3.35Å |
| 1325 | Q | 67.2 | Low | 73.7 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -81.4 | -24.3 | 178.6 | -71.1 | -172.2 | 4.3 | 0 | 0 | 112.6 | F1254 I1321 V1327 D1328 F1329 | F1254-Q1325 VanDerWaalsContact CE1-NE2 3.34Å; I1321-Q1325 HydrophobicContact CG2-CG 4.02Å; I1321-Q1325 PolarHBondContact O-N 3.47Å; Q1325-V1327 PolarHBondContact O-N 3.35Å; Q1325-D1328 PolarHBondContact O-N 3.29Å; Q1325-D1328 VanDerWaalsContact O-N 3.16Å; Q1325-F1329 HydrophobicContact CB-CB 4.02Å; Q1325-F1329 VanDerWaalsContact OE1-CD2 3.27Å |
| 1326 | G | 64.7 | Low | 73.8 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | 55 | -113.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1322 D1328 | I1322-G1326 WeakPolarHBondContact O-CA 3.29Å; I1322-G1326 PolarHBondContact O-N 2.83Å; G1326-D1328 VanDerWaalsContact C-N 3.32Å; G1326-D1328 PolarHBondContact O-N 2.99Å |
| 1327 | V | 59.7 | Low | 74 | Confident | 89 Ų | 89 | 56 Ų | 56 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -78.5 | -12.7 | -173.7 | -153.8 | 0 | 0 | 0 | 0 | 113.8 | Q1325 F1391 | Q1325-V1327 PolarHBondContact O-N 3.35Å; V1327-F1391 HydrophobicContact CG1-CE2 4.34Å; V1327-F1391 HydrophobicContact CG1-CZ 4.39Å |
| 1328 | D | 60.5 | Low | 74.2 | Confident | 136 Ų | 136 | 56.2 Ų | 56.2 | 73% | 0.727 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -80.4 | -17.6 | -178.1 | -66.2 | -26.7 | 0 | 0 | 0 | 112.9 | Q1325 G1326 Q1330 | Q1325-D1328 PolarHBondContact O-N 3.29Å; Q1325-D1328 VanDerWaalsContact O-N 3.16Å; G1326-D1328 VanDerWaalsContact C-N 3.32Å; G1326-D1328 PolarHBondContact O-N 2.99Å; D1328-Q1330 PolarHBondContact O-N 3.44Å |
| 1329 | F | 62.7 | Low | 74.6 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | trans | -84.3 | 90.4 | 179.7 | -171.3 | -100.4 | 0 | 0 | 0 | 111.7 | F1254 L1318 I1321 I1322 Q1325 D1331 I1334 Y1373 F1391 | F1254-F1329 HydrophobicContact CE2-CE2 4.47Å; L1318-F1329 HydrophobicContact CD2-CE1 4.31Å; L1318-F1329 HydrophobicContact CD2-CZ 4.08Å; I1321-F1329 HydrophobicContact CG2-CD2 3.77Å; I1321-F1329 HydrophobicContact CG2-CE2 3.93Å; I1321-F1329 HydrophobicContact CG2-CG 4.48Å; I1322-F1329 HydrophobicContact CD1-CE1 4.43Å; I1322-F1329 HydrophobicContact CG1-CD1 3.95Å; I1322-F1329 HydrophobicContact CG1-CE1 4.03Å; Q1325-F1329 HydrophobicContact CB-CB 4.02Å; Q1325-F1329 VanDerWaalsContact OE1-CD2 3.27Å; F1329-D1331 HydrophobicContact CE1-CB 4.49Å; F1329-D1331 HydrophobicContact CE2-CB 4.41Å; F1329-D1331 HydrophobicContact CZ-CB 4.22Å; F1329-I1334 HydrophobicContact CE1-CD1 4.21Å; F1329-I1334 HydrophobicContact CZ-CD1 3.55Å; F1329-Y1373 HydrophobicContact CD1-CE1 4.43Å; F1329-Y1373 HydrophobicContact CE1-CE1 4.06Å; F1329-F1391 WeakPolarHBondContact O-CE1 3.5Å; F1329-F1391 WeakPolarHBondContact O-CZ 3.43Å | ||
| 1330 | Q | 63.9 | Low | 75 | Confident | 152 Ų | 152 | 51 Ų | 51 | 71% | 0.71 | 27% | 0.272 | S | S | * | . | trans | -100.1 | 16 | -176.9 | -63.3 | -178.7 | 6.7 | 0 | 0 | 114.5 | D1328 T1332 F1391 | D1328-Q1330 PolarHBondContact O-N 3.44Å; Q1330-T1332 PolarHBondContact O-N 3.02Å; Q1330-T1332 VanDerWaalsContact O-N 3.16Å; Q1330-F1391 HydrophobicContact CG-CE1 4.43Å | ||
| 1331 | D | 70.2 | Confident | 75.5 | Confident | 31 Ų | 31 | 49 Ų | 49 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | trans | -83.8 | 95.9 | -172.7 | -156.7 | -13.6 | 0 | 0 | 0 | 112.5 | F1329 R1333 I1334 | F1329-D1331 HydrophobicContact CE1-CB 4.49Å; F1329-D1331 HydrophobicContact CE2-CB 4.41Å; F1329-D1331 HydrophobicContact CZ-CB 4.22Å; D1331-R1333 VanDerWaalsContact C-N 3.32Å; D1331-R1333 WeakPolarHBondContact OD1-CB 3.47Å; D1331-R1333 VanDerWaalsContact OD1-CG 3.29Å; D1331-R1333 WeakPolarHBondContact OD1-CG 3.31Å; D1331-R1333 IonicContact OD1-CZ 3.5Å; D1331-R1333 PolarHBondContact OD1-N 3.16Å; D1331-R1333 IonicContact OD1-NE 3.51Å; D1331-R1333 PolarHBondContact OD1-NE 3Å; D1331-R1333 IonicContact OD1-NH2 2.77Å; D1331-R1333 IonicContact OD2-CZ 2.83Å; D1331-R1333 IonicContact OD2-NE 2.92Å; D1331-R1333 PolarHBondContact OD2-NE 3.08Å; D1331-R1333 IonicContact OD2-NH2 3.39Å; D1331-R1333 PolarHBondContact OD2-NH2 3.16Å; D1331-I1334 HydrophobicContact CB-CD1 4.45Å; D1331-I1334 HydrophobicContact CB-CG1 4.48Å | ||
| 1332 | T | 74 | Confident | 76 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -82.6 | -8.2 | 173.9 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | Q1330 I1334 L1335 | Q1330-T1332 PolarHBondContact O-N 3.02Å; Q1330-T1332 VanDerWaalsContact O-N 3.16Å; T1332-I1334 PolarHBondContact O-N 3.37Å; T1332-I1334 VanDerWaalsContact O-N 3.08Å; T1332-L1335 PolarHBondContact O-N 2.73Å; T1332-L1335 VanDerWaalsContact O-N 3.16Å |
| 1333 | R | 80.1 | Confident | 76.4 | Confident | 159 Ų | 159 | 48.3 Ų | 48.3 | 60% | 0.6 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -65 | -17.2 | -176.2 | -60.2 | 175.3 | -69.9 | 177.2 | -0.8 | 113 | D1331 P1337 | D1331-R1333 VanDerWaalsContact C-N 3.32Å; D1331-R1333 WeakPolarHBondContact OD1-CB 3.47Å; D1331-R1333 VanDerWaalsContact OD1-CG 3.29Å; D1331-R1333 WeakPolarHBondContact OD1-CG 3.31Å; D1331-R1333 IonicContact OD1-CZ 3.5Å; D1331-R1333 PolarHBondContact OD1-N 3.16Å; D1331-R1333 IonicContact OD1-NE 3.51Å; D1331-R1333 PolarHBondContact OD1-NE 3Å; D1331-R1333 IonicContact OD1-NH2 2.77Å; D1331-R1333 IonicContact OD2-CZ 2.83Å; D1331-R1333 IonicContact OD2-NE 2.92Å; D1331-R1333 PolarHBondContact OD2-NE 3.08Å; D1331-R1333 IonicContact OD2-NH2 3.39Å; D1331-R1333 PolarHBondContact OD2-NH2 3.16Å; R1333-P1337 WeakPolarHBondContact O-CD 3.03Å; R1333-P1337 WeakPolarHBondContact O-CG 3.15Å |
| 1334 | I | 83.2 | Confident | 77.1 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -73.9 | -31.4 | -179.4 | -42.8 | -168.6 | 0 | 0 | 0 | 111.5 | L1259 I1263 V1314 L1318 F1329 D1331 T1332 P1337 L1338 | L1259-I1334 HydrophobicContact CD2-CD1 3.8Å; L1259-I1334 HydrophobicContact CG-CD1 4.35Å; I1263-I1334 HydrophobicContact CD1-CB 4Å; I1263-I1334 HydrophobicContact CD1-CD1 3.91Å; I1263-I1334 HydrophobicContact CD1-CG1 3.54Å; I1263-I1334 HydrophobicContact CD1-CG2 3.81Å; I1263-I1334 HydrophobicContact CG1-CG2 4.1Å; V1314-I1334 HydrophobicContact CG1-CG2 4.34Å; L1318-I1334 HydrophobicContact CD1-CG2 4.26Å; L1318-I1334 HydrophobicContact CD2-CD1 3.81Å; L1318-I1334 HydrophobicContact CD2-CG2 4.42Å; F1329-I1334 HydrophobicContact CE1-CD1 4.21Å; F1329-I1334 HydrophobicContact CZ-CD1 3.55Å; D1331-I1334 HydrophobicContact CB-CD1 4.45Å; D1331-I1334 HydrophobicContact CB-CG1 4.48Å; T1332-I1334 PolarHBondContact O-N 3.37Å; T1332-I1334 VanDerWaalsContact O-N 3.08Å; I1334-P1337 WeakPolarHBondContact O-CD 3.35Å; I1334-L1338 HydrophobicContact CG2-CD1 3.93Å; I1334-L1338 HydrophobicContact CG2-CG 4.43Å; I1334-L1338 WeakPolarHBondContact O-CG 3.4Å; I1334-L1338 PolarHBondContact O-N 3.02Å |
| 1335 | L | 86.2 | Confident | 77.5 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.3 | -49.5 | -170.5 | -62.5 | 176.9 | 0 | 0 | 0 | 112 | T1332 L1338 F1339 L1370 Y1373 M1395 E1398 | T1332-L1335 PolarHBondContact O-N 2.73Å; T1332-L1335 VanDerWaalsContact O-N 3.16Å; L1335-L1338 WeakPolarHBondContact O-CB 3.42Å; L1335-L1338 PolarHBondContact O-N 3.11Å; L1335-L1338 VanDerWaalsContact O-N 3.11Å; L1335-F1339 HydrophobicContact CB-CD2 4.5Å; L1335-F1339 HydrophobicContact CB-CE2 3.83Å; L1335-F1339 HydrophobicContact CB-CZ 3.89Å; L1335-F1339 HydrophobicContact CD2-CZ 4.47Å; L1335-F1339 WeakPolarHBondContact O-CD2 3.25Å; L1335-F1339 WeakPolarHBondContact O-CG 3.36Å; L1335-F1339 PolarHBondContact O-N 3.08Å; L1335-L1370 HydrophobicContact CD2-CD2 3.71Å; L1335-Y1373 HydrophobicContact CD2-CD2 4.28Å; L1335-Y1373 HydrophobicContact CD2-CE1 4.49Å; L1335-Y1373 HydrophobicContact CD2-CE2 3.86Å; L1335-M1395 HydrophobicContact CD1-CB 3.88Å; L1335-M1395 HydrophobicContact CD1-CG 3.86Å; L1335-M1395 HydrophobicContact CD2-CB 4.45Å; L1335-M1395 HydrophobicContact CD2-CG 3.69Å; L1335-M1395 HydrophobicContact CG-CG 4.42Å; L1335-E1398 HydrophobicContact CB-CG 4.4Å; L1335-E1398 HydrophobicContact CD1-CB 4.2Å; L1335-E1398 HydrophobicContact CD1-CG 4.5Å |
| 1336 | N | 86.4 | Confident | 78.1 | Confident | 49 Ų | 49 | 37.7 Ų | 37.7 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.5 | -49.3 | -177 | -172.3 | 66.5 | 0 | 0 | 0 | 113.1 | L1338 F1339 H1340 | N1336-L1338 VanDerWaalsContact C-N 3.32Å; N1336-L1338 PolarHBondContact O-N 3.35Å; N1336-F1339 PolarHBondContact O-N 2.97Å; N1336-H1340 VanDerWaalsContact CG-CE1 3.47Å; N1336-H1340 PolarHBondContact ND2-CE1 3.35Å; N1336-H1340 VanDerWaalsContact ND2-CE1 3.33Å; N1336-H1340 PolarHBondContact O-N 3.31Å; N1336-H1340 PolarHBondContact O-ND1 3.25Å; N1336-H1340 PolarHBondContact OD1-CE1 3.25Å; N1336-H1340 PolarHBondContact OD1-ND1 3.34Å |
| 1337 | P | 85.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.7 | -39.6 | 171.8 | -22.4 | 26.7 | 0 | 0 | 0 | 114.4 | I1263 I1266 Q1267 R1333 I1334 H1340 A1341 | I1263-P1337 HydrophobicContact CG2-CB 4.02Å; I1263-P1337 HydrophobicContact CG2-CG 3.51Å; I1266-P1337 HydrophobicContact CG2-CB 4.06Å; Q1267-P1337 HydrophobicContact CB-CB 4.2Å; Q1267-P1337 HydrophobicContact CB-CG 4.28Å; Q1267-P1337 VanDerWaalsContact OE1-CA 3.26Å; R1333-P1337 WeakPolarHBondContact O-CD 3.03Å; R1333-P1337 WeakPolarHBondContact O-CG 3.15Å; I1334-P1337 WeakPolarHBondContact O-CD 3.35Å; P1337-H1340 PolarHBondContact O-N 2.99Å; P1337-A1341 WeakPolarHBondContact O-CB 3.39Å; P1337-A1341 PolarHBondContact O-N 2.78Å |
| 1338 | L | 87 | Confident | 79 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.4 | -40.1 | 177.8 | -73.1 | 174.7 | 0 | 0 | 0 | 111.9 | V1314 L1318 I1334 L1335 N1336 A1341 Y1342 I1366 L1370 | V1314-L1338 HydrophobicContact CG1-CD2 4.32Å; L1318-L1338 HydrophobicContact CD1-CD1 4.17Å; I1334-L1338 HydrophobicContact CG2-CD1 3.93Å; I1334-L1338 HydrophobicContact CG2-CG 4.43Å; I1334-L1338 WeakPolarHBondContact O-CG 3.4Å; I1334-L1338 PolarHBondContact O-N 3.02Å; L1335-L1338 WeakPolarHBondContact O-CB 3.42Å; L1335-L1338 PolarHBondContact O-N 3.11Å; L1335-L1338 VanDerWaalsContact O-N 3.11Å; N1336-L1338 VanDerWaalsContact C-N 3.32Å; N1336-L1338 PolarHBondContact O-N 3.35Å; L1338-A1341 PolarHBondContact O-N 2.97Å; L1338-Y1342 PolarHBondContact O-N 3.37Å; L1338-I1366 HydrophobicContact CB-CG2 4.18Å; L1338-I1366 HydrophobicContact CD2-CG1 4.28Å; L1338-I1366 HydrophobicContact CD2-CG2 4.44Å; L1338-L1370 HydrophobicContact CD1-CD2 4.34Å |
| 1339 | F | 91 | Very high | 79 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.7 | -57.9 | -28.1 | 0 | 0 | 0 | 111.5 | L1335 N1336 Y1342 A1343 L1370 M1395 E1398 L1399 F1402 I1416 | L1335-F1339 HydrophobicContact CB-CD2 4.5Å; L1335-F1339 HydrophobicContact CB-CE2 3.83Å; L1335-F1339 HydrophobicContact CB-CZ 3.89Å; L1335-F1339 HydrophobicContact CD2-CZ 4.47Å; L1335-F1339 WeakPolarHBondContact O-CD2 3.25Å; L1335-F1339 WeakPolarHBondContact O-CG 3.36Å; L1335-F1339 PolarHBondContact O-N 3.08Å; N1336-F1339 PolarHBondContact O-N 2.97Å; F1339-Y1342 PolarHBondContact O-N 3.46Å; F1339-A1343 PolarHBondContact O-N 2.74Å; F1339-L1370 HydrophobicContact CD1-CD1 4.29Å; F1339-L1370 HydrophobicContact CE1-CD1 3.88Å; F1339-L1370 HydrophobicContact CE1-CD2 3.76Å; F1339-L1370 HydrophobicContact CZ-CD2 4.47Å; F1339-M1395 HydrophobicContact CZ-SD 4.46Å; F1339-E1398 HydrophobicContact CE2-CB 4.25Å; F1339-E1398 HydrophobicContact CE2-CG 4.11Å; F1339-L1399 HydrophobicContact CD1-CD1 4.07Å; F1339-L1399 HydrophobicContact CD2-CD1 4.38Å; F1339-L1399 HydrophobicContact CE1-CD1 3.95Å; F1339-L1399 HydrophobicContact CE2-CB 4.11Å; F1339-L1399 HydrophobicContact CE2-CD1 4.27Å; F1339-L1399 HydrophobicContact CG-CD1 4.3Å; F1339-L1399 HydrophobicContact CZ-CB 3.88Å; F1339-L1399 HydrophobicContact CZ-CD1 4.05Å; F1339-F1402 HydrophobicContact CB-CD1 3.84Å; F1339-F1402 HydrophobicContact CB-CD2 4Å; F1339-F1402 HydrophobicContact CB-CE1 3.85Å; F1339-F1402 HydrophobicContact CB-CE2 4.02Å; F1339-F1402 HydrophobicContact CB-CG 3.91Å; F1339-F1402 HydrophobicContact CB-CZ 3.93Å; F1339-F1402 HydrophobicContact CD2-CB 3.95Å; F1339-F1402 HydrophobicContact CD2-CD1 4.39Å; F1339-F1402 HydrophobicContact CD2-CG 4.05Å; F1339-F1402 HydrophobicContact CG-CD1 4.32Å; F1339-F1402 HydrophobicContact CG-CG 4.35Å; F1339-I1416 HydrophobicContact CB-CD1 4.36Å; F1339-I1416 HydrophobicContact CD1-CD1 4.01Å; F1339-I1416 HydrophobicContact CG-CD1 4.49Å |
| 1340 | H | 87.1 | Confident | 79 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.7 | -73.5 | 58.7 | 0 | 0 | 0 | 111.2 | S1270 I1274 N1336 P1337 Y1342 A1343 C1344 F1402 | S1270-H1340 WeakPolarHBondContact OG-CB 3.45Å; I1274-H1340 HydrophobicContact CD1-CB 4.04Å; I1274-H1340 WeakPolarHBondContact CD1-CD2 3.47Å; N1336-H1340 VanDerWaalsContact CG-CE1 3.47Å; N1336-H1340 PolarHBondContact ND2-CE1 3.35Å; N1336-H1340 VanDerWaalsContact ND2-CE1 3.33Å; N1336-H1340 PolarHBondContact O-N 3.31Å; N1336-H1340 PolarHBondContact O-ND1 3.25Å; N1336-H1340 PolarHBondContact OD1-CE1 3.25Å; N1336-H1340 PolarHBondContact OD1-ND1 3.34Å; P1337-H1340 PolarHBondContact O-N 2.99Å; H1340-Y1342 PolarHBondContact O-N 3.05Å; H1340-A1343 WeakPolarHBondContact O-CB 3.28Å; H1340-A1343 PolarHBondContact O-N 3.18Å; H1340-C1344 PolarHBondContact O-N 3.11Å; H1340-C1344 PolarHBondContact O-SG 3.46Å; H1340-F1402 AromaticContact CE1-CD2 3.66Å; H1340-F1402 AromaticContact CE1-CE2 3.48Å; H1340-F1402 VanDerWaalsContact CE1-CE2 3.48Å; H1340-F1402 WeakPolarHBondContact CE1-CE2 3.4Å; H1340-F1402 AromaticContact ND1-CD2 3.83Å; H1340-F1402 AromaticContact ND1-CE2 3.43Å; H1340-F1402 WeakPolarHBondContact ND1-CE2 3.34Å |
| 1341 | A | 85.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1266 F1307 P1337 L1338 C1344 T1345 I1366 | I1266-A1341 HydrophobicContact CG2-CB 3.87Å; F1307-A1341 HydrophobicContact CE1-CB 4.09Å; F1307-A1341 HydrophobicContact CZ-CB 4.44Å; P1337-A1341 WeakPolarHBondContact O-CB 3.39Å; P1337-A1341 PolarHBondContact O-N 2.78Å; L1338-A1341 PolarHBondContact O-N 2.97Å; A1341-C1344 WeakPolarHBondContact O-CB 3.25Å; A1341-C1344 PolarHBondContact O-N 3.23Å; A1341-T1345 WeakPolarHBondContact O-CG2 3.15Å; A1341-T1345 PolarHBondContact O-N 2.92Å; A1341-I1366 HydrophobicContact CB-CD1 4.1Å |
| 1342 | Y | 87.2 | Confident | 78.3 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 175.1 | -176 | -86.7 | 0 | 0 | 0 | 111.2 | L1338 F1339 H1340 C1344 T1345 I1346 R1363 I1367 L1415 I1416 D1419 | L1338-Y1342 PolarHBondContact O-N 3.37Å; F1339-Y1342 PolarHBondContact O-N 3.46Å; H1340-Y1342 PolarHBondContact O-N 3.05Å; Y1342-C1344 VanDerWaalsContact C-N 3.33Å; Y1342-C1344 PolarHBondContact O-N 3.12Å; Y1342-T1345 PolarHBondContact O-N 3.17Å; Y1342-T1345 VanDerWaalsContact O-N 3.11Å; Y1342-T1345 PolarHBondContact O-OG1 2.93Å; Y1342-I1346 HydrophobicContact CD1-CD1 3.62Å; Y1342-I1346 HydrophobicContact CD1-CG1 4.44Å; Y1342-I1346 HydrophobicContact CE1-CD1 3.19Å; Y1342-I1346 HydrophobicContact CE1-CG1 4.12Å; Y1342-I1346 PolarHBondContact O-N 3.33Å; Y1342-R1363 HydrophobicContact CD2-CB 4.14Å; Y1342-R1363 HydrophobicContact CD2-CG 3.96Å; Y1342-R1363 HydrophobicContact CE2-CB 3.86Å; Y1342-R1363 HydrophobicContact CE2-CG 3.83Å; Y1342-I1367 HydrophobicContact CE2-CD1 4.09Å; Y1342-I1367 HydrophobicContact CE2-CG1 4.27Å; Y1342-L1415 HydrophobicContact CE1-CB 4.06Å; Y1342-I1416 HydrophobicContact CD1-CD1 3.62Å; Y1342-I1416 HydrophobicContact CD1-CG1 3.29Å; Y1342-I1416 HydrophobicContact CD2-CG1 4.24Å; Y1342-I1416 HydrophobicContact CE1-CD1 4.19Å; Y1342-I1416 HydrophobicContact CE1-CG1 3.37Å; Y1342-I1416 HydrophobicContact CE2-CG1 4.32Å; Y1342-I1416 HydrophobicContact CG-CD1 3.98Å; Y1342-I1416 HydrophobicContact CG-CG1 3.75Å; Y1342-D1419 PolarHBondContact OH-OD2 3.44Å |
| 1343 | A | 84.1 | Confident | 78.1 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.1 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1339 H1340 T1345 I1346 F1347 F1402 F1409 P1412 | F1339-A1343 PolarHBondContact O-N 2.74Å; H1340-A1343 WeakPolarHBondContact O-CB 3.28Å; H1340-A1343 PolarHBondContact O-N 3.18Å; A1343-T1345 VanDerWaalsContact C-N 3.28Å; A1343-T1345 PolarHBondContact O-N 2.84Å; A1343-I1346 PolarHBondContact O-N 2.79Å; A1343-I1346 VanDerWaalsContact O-N 3.12Å; A1343-F1347 WeakPolarHBondContact O-CD2 3.15Å; A1343-F1347 PolarHBondContact O-N 2.91Å; A1343-F1402 HydrophobicContact CB-CZ 4.19Å; A1343-F1409 HydrophobicContact CB-CD1 4.18Å; A1343-F1409 HydrophobicContact CB-CE1 4.34Å; A1343-P1412 HydrophobicContact CB-CB 3.78Å; A1343-P1412 HydrophobicContact CB-CG 3.86Å |
| 1344 | C | 82.6 | Confident | 77.4 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56 | -42.7 | 175.2 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | F1273 H1340 A1341 Y1342 I1346 F1347 T1348 | F1273-C1344 HydrophobicContact CB-CB 4.3Å; F1273-C1344 HydrophobicContact CD2-CB 4.42Å; H1340-C1344 PolarHBondContact O-N 3.11Å; H1340-C1344 PolarHBondContact O-SG 3.46Å; A1341-C1344 WeakPolarHBondContact O-CB 3.25Å; A1341-C1344 PolarHBondContact O-N 3.23Å; Y1342-C1344 VanDerWaalsContact C-N 3.33Å; Y1342-C1344 PolarHBondContact O-N 3.12Å; C1344-I1346 VanDerWaalsContact C-N 3.28Å; C1344-I1346 PolarHBondContact O-N 3.34Å; C1344-F1347 PolarHBondContact O-N 3.37Å; C1344-T1348 VanDerWaalsContact O-CG2 3.25Å; C1344-T1348 WeakPolarHBondContact O-CG2 3.43Å; C1344-T1348 PolarHBondContact O-N 2.74Å |
| 1345 | T | 79.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -27.1 | 179.8 | 70.7 | 0 | 0 | 0 | 0 | 114 | A1341 Y1342 A1343 T1348 L1359 I1362 R1363 | A1341-T1345 WeakPolarHBondContact O-CG2 3.15Å; A1341-T1345 PolarHBondContact O-N 2.92Å; Y1342-T1345 PolarHBondContact O-N 3.17Å; Y1342-T1345 VanDerWaalsContact O-N 3.11Å; Y1342-T1345 PolarHBondContact O-OG1 2.93Å; A1343-T1345 VanDerWaalsContact C-N 3.28Å; A1343-T1345 PolarHBondContact O-N 2.84Å; T1345-T1348 PolarHBondContact O-OG1 2.86Å; T1345-L1359 HydrophobicContact CG2-CD2 4.09Å; T1345-I1362 HydrophobicContact CG2-CB 4.29Å; T1345-I1362 HydrophobicContact CG2-CG2 3.7Å; T1345-R1363 HydrophobicContact CG2-CG 4.41Å; T1345-R1363 PolarHBondContact O-NH2 3.36Å; T1345-R1363 WeakPolarHBondContact OG1-CG 3.41Å; T1345-R1363 PolarHBondContact OG1-NE 3.26Å |
| 1346 | I | 79.5 | Confident | 75.9 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 18% | 0.179 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.6 | -40.7 | -179.8 | -71.3 | 166.3 | 0 | 0 | 0 | 110.9 | Y1342 A1343 C1344 T1348 P1412 L1415 | Y1342-I1346 HydrophobicContact CD1-CD1 3.62Å; Y1342-I1346 HydrophobicContact CD1-CG1 4.44Å; Y1342-I1346 HydrophobicContact CE1-CD1 3.19Å; Y1342-I1346 HydrophobicContact CE1-CG1 4.12Å; Y1342-I1346 PolarHBondContact O-N 3.33Å; A1343-I1346 PolarHBondContact O-N 2.79Å; A1343-I1346 VanDerWaalsContact O-N 3.12Å; C1344-I1346 VanDerWaalsContact C-N 3.28Å; C1344-I1346 PolarHBondContact O-N 3.34Å; I1346-T1348 VanDerWaalsContact C-N 3.29Å; I1346-T1348 PolarHBondContact O-N 2.93Å; I1346-P1412 HydrophobicContact CD1-CB 3.82Å; I1346-P1412 HydrophobicContact CD1-CG 4.1Å; I1346-L1415 HydrophobicContact CD1-CB 4.32Å; I1346-L1415 HydrophobicContact CD1-CD1 3.55Å; I1346-L1415 HydrophobicContact CG1-CD1 4.29Å |
| 1347 | F | 72.1 | Confident | 75.5 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -81.6 | -7.2 | -175.9 | -67.1 | -62.7 | 0 | 0 | 0 | 114.3 | L1277 I1291 A1343 C1344 C1408 P1412 | L1277-F1347 HydrophobicContact CD1-CB 3.23Å; L1277-F1347 HydrophobicContact CD1-CD1 4.13Å; L1277-F1347 HydrophobicContact CD1-CD2 3.45Å; L1277-F1347 VanDerWaalsContact CD1-CD2 3.45Å; L1277-F1347 HydrophobicContact CD1-CE2 4.31Å; L1277-F1347 HydrophobicContact CD1-CG 3.35Å; I1291-F1347 VanDerWaalsContact CG2-O 3.32Å; I1291-F1347 WeakPolarHBondContact CG2-O 3.44Å; A1343-F1347 WeakPolarHBondContact O-CD2 3.15Å; A1343-F1347 PolarHBondContact O-N 2.91Å; C1344-F1347 PolarHBondContact O-N 3.37Å; F1347-C1408 WeakPolarHBondContact CE2-O 3.33Å; F1347-C1408 WeakPolarHBondContact CZ-O 3.4Å; F1347-P1412 HydrophobicContact CE2-CG 3.64Å; F1347-P1412 HydrophobicContact CZ-CG 3.89Å |
| 1348 | T | 70.6 | Confident | 75.1 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -83.1 | 125.1 | 176.2 | 51 | 0 | 0 | 0 | 0 | 112.3 | I1293 F1304 C1344 T1345 I1346 | I1293-T1348 HydrophobicContact CG2-CG2 4.02Å; F1304-T1348 HydrophobicContact CE1-CG2 4.18Å; F1304-T1348 HydrophobicContact CE2-CG2 3.73Å; F1304-T1348 HydrophobicContact CZ-CG2 3.23Å; C1344-T1348 VanDerWaalsContact O-CG2 3.25Å; C1344-T1348 WeakPolarHBondContact O-CG2 3.43Å; C1344-T1348 PolarHBondContact O-N 2.74Å; T1345-T1348 PolarHBondContact O-OG1 2.86Å; I1346-T1348 VanDerWaalsContact C-N 3.29Å; I1346-T1348 PolarHBondContact O-N 2.93Å |
| 1349 | Y | 61 | Low | 74.6 | Confident | 144 Ų | 144 | 40.3 Ų | 40.3 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | B | Isolated β-bridge | trans | -74.3 | 126.1 | 170.8 | 178.9 | -100.8 | 0 | 0 | 0 | 110.4 | ||
| 1350 | C | 62.4 | Low | 74.1 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 17% | 0.169 | 26% | 0.255 | C | S | . | . | trans | -134.8 | 127.1 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 110 | T1295 K1355 A1356 L1359 | T1295-C1350 HydrophobicContact CG2-CB 4.37Å; C1350-K1355 WeakPolarHBondContact SG-CB 3.48Å; C1350-A1356 PolarHBondContact SG-N 3.38Å; C1350-L1359 HydrophobicContact CB-CD1 3.54Å | ||
| 1351 | P | 60.8 | Low | 73.8 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | trans | -62.4 | 152.5 | 169.7 | 26.9 | -33.2 | 0 | 0 | 0 | 110.3 | G1353 | P1351-G1353 PolarHBondContact O-N 3.1Š| ||
| 1352 | P | 58.6 | Low | 73.7 | Confident | 130 Ų | 130 | 49.4 Ų | 49.4 | 84% | 0.844 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -56.9 | 129.9 | 174.1 | 24.3 | -32.7 | 0 | 0 | 0 | 109.8 | ||
| 1353 | G | 69.5 | Low | 73.7 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 154.6 | -167.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1351 K1355 A1356 V1357 | P1351-G1353 PolarHBondContact O-N 3.1Å; G1353-K1355 PolarHBondContact O-N 3.16Å; G1353-K1355 VanDerWaalsContact O-N 3.17Å; G1353-A1356 WeakPolarHBondContact O-CB 3.36Å; G1353-A1356 PolarHBondContact O-N 2.93Å; G1353-V1357 PolarHBondContact O-N 3.39Å |
| 1354 | P | 66.3 | Low | 73.8 | Confident | 118 Ų | 118 | 56.9 Ų | 56.9 | 77% | 0.766 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.8 | -26.8 | -174.1 | 24.3 | -34.1 | 0 | 0 | 0 | 113.5 | Q1358 | P1354-Q1358 PolarHBondContact O-N 3.2Å |
| 1355 | K | 66.3 | Low | 73.8 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 30% | 0.3 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72 | -33.7 | 175 | -69.9 | -174.4 | 176.9 | 178 | 0 | 112.6 | T1295 C1350 G1353 Q1358 L1359 | T1295-K1355 PolarHBondContact O-NZ 2.92Å; C1350-K1355 WeakPolarHBondContact SG-CB 3.48Å; G1353-K1355 PolarHBondContact O-N 3.16Å; G1353-K1355 VanDerWaalsContact O-N 3.17Å; K1355-Q1358 WeakPolarHBondContact O-CB 3.37Å; K1355-Q1358 PolarHBondContact O-N 2.89Å; K1355-L1359 PolarHBondContact O-N 3.27Å |
| 1356 | A | 71.4 | Confident | 74.2 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | C1350 G1353 Q1358 L1359 E1360 | C1350-A1356 PolarHBondContact SG-N 3.38Å; G1353-A1356 WeakPolarHBondContact O-CB 3.36Å; G1353-A1356 PolarHBondContact O-N 2.93Å; A1356-Q1358 VanDerWaalsContact C-N 3.27Å; A1356-Q1358 PolarHBondContact O-N 3.24Å; A1356-L1359 PolarHBondContact O-N 3.24Å; A1356-L1359 VanDerWaalsContact O-N 3.12Å; A1356-E1360 PolarHBondContact O-N 3Å |
| 1357 | V | 77 | Confident | 74.5 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.9 | -35.3 | 173.5 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | G1353 R1361 | G1353-V1357 PolarHBondContact O-N 3.39Å; V1357-R1361 VanDerWaalsContact O-CB 3.31Å; V1357-R1361 WeakPolarHBondContact O-CB 3.48Å; V1357-R1361 PolarHBondContact O-N 3.29Å |
| 1358 | Q | 76.9 | Confident | 75 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 174.1 | -174.7 | -179.4 | 21.2 | 0 | 0 | 112 | S1305 D1308 P1354 K1355 A1356 R1361 I1362 | S1305-Q1358 PolarHBondContact OG-NE2 2.99Å; D1308-Q1358 HydrophobicContact CB-CG 4.34Å; P1354-Q1358 PolarHBondContact O-N 3.2Å; K1355-Q1358 WeakPolarHBondContact O-CB 3.37Å; K1355-Q1358 PolarHBondContact O-N 2.89Å; A1356-Q1358 VanDerWaalsContact C-N 3.27Å; A1356-Q1358 PolarHBondContact O-N 3.24Å; Q1358-R1361 PolarHBondContact O-N 3.33Å; Q1358-I1362 HydrophobicContact CG-CD1 4.33Å; Q1358-I1362 VanDerWaalsContact O-CG1 3.29Å; Q1358-I1362 WeakPolarHBondContact O-CG1 3.17Å; Q1358-I1362 PolarHBondContact O-N 3.36Å |
| 1359 | L | 77.6 | Confident | 75.4 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -42.9 | 177.2 | -73.4 | 161.9 | 0 | 0 | 0 | 111.7 | F1304 T1345 C1350 K1355 A1356 I1362 R1363 | F1304-L1359 HydrophobicContact CD1-CD2 3.77Å; F1304-L1359 HydrophobicContact CE1-CD2 3.78Å; F1304-L1359 HydrophobicContact CG-CD2 4.47Å; F1304-L1359 HydrophobicContact CZ-CD2 4.46Å; T1345-L1359 HydrophobicContact CG2-CD2 4.09Å; C1350-L1359 HydrophobicContact CB-CD1 3.54Å; K1355-L1359 PolarHBondContact O-N 3.27Å; A1356-L1359 PolarHBondContact O-N 3.24Å; A1356-L1359 VanDerWaalsContact O-N 3.12Å; L1359-I1362 WeakPolarHBondContact O-CB 3.47Å; L1359-I1362 PolarHBondContact O-N 3.41Å; L1359-R1363 WeakPolarHBondContact O-CG 3.41Å; L1359-R1363 PolarHBondContact O-N 3.37Å |
| 1360 | E | 80 | Confident | 76.5 | Confident | 107 Ų | 107 | 49.2 Ų | 49.2 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 173 | -71.7 | 175.3 | 175 | 0 | 0 | 111.2 | A1356 I1362 R1363 D1364 | A1356-E1360 PolarHBondContact O-N 3Å; E1360-I1362 VanDerWaalsContact C-N 3.3Å; E1360-I1362 PolarHBondContact O-N 2.95Å; E1360-R1363 WeakPolarHBondContact O-CB 3.47Å; E1360-R1363 PolarHBondContact O-N 3.38Å; E1360-R1363 VanDerWaalsContact O-N 3.08Å; E1360-D1364 VanDerWaalsContact O-CG 3.31Å; E1360-D1364 PolarHBondContact O-N 2.92Å |
| 1361 | R | 80.7 | Confident | 77.3 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 40% | 0.404 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 175.7 | -174.2 | -177.1 | -61.9 | 166 | -1.5 | 113.1 | V1357 Q1358 S1365 | V1357-R1361 VanDerWaalsContact O-CB 3.31Å; V1357-R1361 WeakPolarHBondContact O-CB 3.48Å; V1357-R1361 PolarHBondContact O-N 3.29Å; Q1358-R1361 PolarHBondContact O-N 3.33Å; R1361-S1365 VanDerWaalsContact O-CB 3.29Å; R1361-S1365 WeakPolarHBondContact O-CB 3.43Å; R1361-S1365 PolarHBondContact O-N 3.05Å; R1361-S1365 PolarHBondContact O-OG 2.63Å |
| 1362 | I | 84.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 174.4 | -70.1 | 163.3 | 0 | 0 | 0 | 109.7 | F1304 F1307 D1308 T1311 T1345 Q1358 L1359 E1360 S1365 I1366 | F1304-I1362 HydrophobicContact CD1-CD1 4.31Å; F1307-I1362 HydrophobicContact CB-CD1 4.3Å; D1308-I1362 HydrophobicContact CB-CD1 4.09Å; D1308-I1362 HydrophobicContact CB-CG1 3.95Å; T1311-I1362 HydrophobicContact CG2-CG2 4.14Å; T1345-I1362 HydrophobicContact CG2-CB 4.29Å; T1345-I1362 HydrophobicContact CG2-CG2 3.7Å; Q1358-I1362 HydrophobicContact CG-CD1 4.33Å; Q1358-I1362 VanDerWaalsContact O-CG1 3.29Å; Q1358-I1362 WeakPolarHBondContact O-CG1 3.17Å; Q1358-I1362 PolarHBondContact O-N 3.36Å; L1359-I1362 WeakPolarHBondContact O-CB 3.47Å; L1359-I1362 PolarHBondContact O-N 3.41Å; E1360-I1362 VanDerWaalsContact C-N 3.3Å; E1360-I1362 PolarHBondContact O-N 2.95Å; I1362-S1365 PolarHBondContact O-N 3.21Å; I1362-I1366 HydrophobicContact CG2-CD1 3.9Å; I1362-I1366 VanDerWaalsContact O-CG1 3.3Å; I1362-I1366 WeakPolarHBondContact O-CG1 3.38Å; I1362-I1366 PolarHBondContact O-N 2.87Å |
| 1363 | R | 86.5 | Confident | 79 | Confident | 66 Ų | 66 | 42.2 Ų | 42.2 | 25% | 0.249 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -49.9 | 177.5 | -68.7 | 176.6 | -168.9 | 160.1 | 4.7 | 111 | Y1342 T1345 L1359 E1360 S1365 I1366 I1367 | Y1342-R1363 HydrophobicContact CD2-CB 4.14Å; Y1342-R1363 HydrophobicContact CD2-CG 3.96Å; Y1342-R1363 HydrophobicContact CE2-CB 3.86Å; Y1342-R1363 HydrophobicContact CE2-CG 3.83Å; T1345-R1363 HydrophobicContact CG2-CG 4.41Å; T1345-R1363 PolarHBondContact O-NH2 3.36Å; T1345-R1363 WeakPolarHBondContact OG1-CG 3.41Å; T1345-R1363 PolarHBondContact OG1-NE 3.26Å; L1359-R1363 WeakPolarHBondContact O-CG 3.41Å; L1359-R1363 PolarHBondContact O-N 3.37Å; E1360-R1363 WeakPolarHBondContact O-CB 3.47Å; E1360-R1363 PolarHBondContact O-N 3.38Å; E1360-R1363 VanDerWaalsContact O-N 3.08Å; R1363-S1365 VanDerWaalsContact C-N 3.3Å; R1363-S1365 PolarHBondContact O-N 3.32Å; R1363-I1366 WeakPolarHBondContact O-CB 3.1Å; R1363-I1366 PolarHBondContact O-N 3.28Å; R1363-I1366 VanDerWaalsContact O-N 3.08Å; R1363-I1367 WeakPolarHBondContact O-CG1 3.32Å; R1363-I1367 PolarHBondContact O-N 3.47Å |
| 1364 | D | 85.9 | Confident | 79.1 | Confident | 97 Ų | 97 | 41.2 Ų | 41.2 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.9 | -44.8 | 177.8 | -70.3 | -16.6 | 0 | 0 | 0 | 111.2 | E1360 I1366 I1367 I1368 | E1360-D1364 VanDerWaalsContact O-CG 3.31Å; E1360-D1364 PolarHBondContact O-N 2.92Å; D1364-I1366 VanDerWaalsContact C-N 3.32Å; D1364-I1366 PolarHBondContact O-N 3.25Å; D1364-I1367 PolarHBondContact O-N 2.84Å; D1364-I1368 WeakPolarHBondContact O-CB 3.42Å; D1364-I1368 WeakPolarHBondContact O-CD1 3.37Å; D1364-I1368 WeakPolarHBondContact O-CG1 3.43Å; D1364-I1368 PolarHBondContact O-N 3.17Å |
| 1365 | S | 83.4 | Confident | 79.1 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | Q1312 S1315 R1361 I1362 R1363 G1369 | Q1312-S1365 WeakPolarHBondContact CG-OG 3.44Å; S1315-S1365 WeakPolarHBondContact CB-O 3.27Å; R1361-S1365 VanDerWaalsContact O-CB 3.29Å; R1361-S1365 WeakPolarHBondContact O-CB 3.43Å; R1361-S1365 PolarHBondContact O-N 3.05Å; R1361-S1365 PolarHBondContact O-OG 2.63Å; I1362-S1365 PolarHBondContact O-N 3.21Å; R1363-S1365 VanDerWaalsContact C-N 3.3Å; R1363-S1365 PolarHBondContact O-N 3.32Å; S1365-G1369 PolarHBondContact O-N 3.37Å |
| 1366 | I | 86.9 | Confident | 78.8 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -49.3 | 175.7 | -66.3 | 165.6 | 0 | 0 | 0 | 110.4 | T1311 L1338 A1341 I1362 R1363 D1364 I1368 G1369 L1370 | T1311-I1366 HydrophobicContact CG2-CD1 4.07Å; T1311-I1366 HydrophobicContact CG2-CG1 3.87Å; L1338-I1366 HydrophobicContact CB-CG2 4.18Å; L1338-I1366 HydrophobicContact CD2-CG1 4.28Å; L1338-I1366 HydrophobicContact CD2-CG2 4.44Å; A1341-I1366 HydrophobicContact CB-CD1 4.1Å; I1362-I1366 HydrophobicContact CG2-CD1 3.9Å; I1362-I1366 VanDerWaalsContact O-CG1 3.3Å; I1362-I1366 WeakPolarHBondContact O-CG1 3.38Å; I1362-I1366 PolarHBondContact O-N 2.87Å; R1363-I1366 WeakPolarHBondContact O-CB 3.1Å; R1363-I1366 PolarHBondContact O-N 3.28Å; R1363-I1366 VanDerWaalsContact O-N 3.08Å; D1364-I1366 VanDerWaalsContact C-N 3.32Å; D1364-I1366 PolarHBondContact O-N 3.25Å; I1366-I1368 VanDerWaalsContact C-N 3.3Å; I1366-I1368 PolarHBondContact O-N 3.48Å; I1366-G1369 CarbonylContact O-C 3.48Å; I1366-G1369 WeakPolarHBondContact O-CA 3.2Å; I1366-G1369 PolarHBondContact O-N 2.88Å; I1366-L1370 HydrophobicContact CG2-CD1 4.07Å; I1366-L1370 HydrophobicContact CG2-CG 4.4Å; I1366-L1370 WeakPolarHBondContact O-CG 3.49Å; I1366-L1370 PolarHBondContact O-N 3Å |
| 1367 | I | 85.8 | Confident | 78.1 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.077 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 178.2 | -64.6 | -59.1 | 0 | 0 | 0 | 110.4 | Y1342 R1363 D1364 G1369 L1370 L1371 I1416 D1419 L1420 | Y1342-I1367 HydrophobicContact CE2-CD1 4.09Å; Y1342-I1367 HydrophobicContact CE2-CG1 4.27Å; R1363-I1367 WeakPolarHBondContact O-CG1 3.32Å; R1363-I1367 PolarHBondContact O-N 3.47Å; D1364-I1367 PolarHBondContact O-N 2.84Å; I1367-G1369 VanDerWaalsContact C-N 3.29Å; I1367-G1369 PolarHBondContact O-N 3.35Å; I1367-L1370 PolarHBondContact O-N 3.4Å; I1367-L1370 VanDerWaalsContact O-N 3.17Å; I1367-L1371 HydrophobicContact CG2-CD1 4.06Å; I1367-L1371 HydrophobicContact CG2-CG 4.38Å; I1367-L1371 WeakPolarHBondContact O-CB 3.22Å; I1367-L1371 WeakPolarHBondContact O-CG 3.46Å; I1367-L1371 PolarHBondContact O-N 2.82Å; I1367-I1416 HydrophobicContact CD1-CG2 4.43Å; I1367-D1419 HydrophobicContact CD1-CB 3.7Å; I1367-D1419 HydrophobicContact CG1-CB 4.03Å; I1367-D1419 HydrophobicContact CG2-CB 4.47Å; I1367-L1420 HydrophobicContact CG2-CD2 4.25Å |
| 1368 | I | 82.5 | Confident | 77.1 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 27% | 0.272 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.2 | -44.1 | 171.8 | -83.9 | 171.1 | 0 | 0 | 0 | 112.2 | D1364 I1366 A1372 | D1364-I1368 WeakPolarHBondContact O-CB 3.42Å; D1364-I1368 WeakPolarHBondContact O-CD1 3.37Å; D1364-I1368 WeakPolarHBondContact O-CG1 3.43Å; D1364-I1368 PolarHBondContact O-N 3.17Å; I1366-I1368 VanDerWaalsContact C-N 3.3Å; I1366-I1368 PolarHBondContact O-N 3.48Å; I1368-A1372 PolarHBondContact O-N 2.9Å |
| 1369 | G | 79.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.4 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1365 I1366 I1367 A1372 | S1365-G1369 PolarHBondContact O-N 3.37Å; I1366-G1369 CarbonylContact O-C 3.48Å; I1366-G1369 WeakPolarHBondContact O-CA 3.2Å; I1366-G1369 PolarHBondContact O-N 2.88Å; I1367-G1369 VanDerWaalsContact C-N 3.29Å; I1367-G1369 PolarHBondContact O-N 3.35Å; G1369-A1372 VanDerWaalsContact O-CB 3.27Å; G1369-A1372 WeakPolarHBondContact O-CB 3.42Å; G1369-A1372 PolarHBondContact O-N 3.33Å |
| 1370 | L | 84.3 | Confident | 75 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.4 | -39.1 | 176.3 | -68.4 | 173.5 | 0 | 0 | 0 | 111.9 | L1335 L1338 F1339 I1366 I1367 A1372 Y1373 I1416 L1420 | L1335-L1370 HydrophobicContact CD2-CD2 3.71Å; L1338-L1370 HydrophobicContact CD1-CD2 4.34Å; F1339-L1370 HydrophobicContact CD1-CD1 4.29Å; F1339-L1370 HydrophobicContact CE1-CD1 3.88Å; F1339-L1370 HydrophobicContact CE1-CD2 3.76Å; F1339-L1370 HydrophobicContact CZ-CD2 4.47Å; I1366-L1370 HydrophobicContact CG2-CD1 4.07Å; I1366-L1370 HydrophobicContact CG2-CG 4.4Å; I1366-L1370 WeakPolarHBondContact O-CG 3.49Å; I1366-L1370 PolarHBondContact O-N 3Å; I1367-L1370 PolarHBondContact O-N 3.4Å; I1367-L1370 VanDerWaalsContact O-N 3.17Å; L1370-A1372 PolarHBondContact O-N 3.3Å; L1370-Y1373 WeakPolarHBondContact O-CB 3.48Å; L1370-Y1373 PolarHBondContact O-N 2.94Å; L1370-I1416 HydrophobicContact CD1-CG2 4.06Å; L1370-L1420 HydrophobicContact CB-CD2 3.93Å |
| 1371 | L | 79.9 | Confident | 73.7 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -25.2 | 174.1 | -74.2 | 171.7 | 0 | 0 | 0 | 112.3 | I1367 Y1373 T1374 H1375 L1420 | I1367-L1371 HydrophobicContact CG2-CD1 4.06Å; I1367-L1371 HydrophobicContact CG2-CG 4.38Å; I1367-L1371 WeakPolarHBondContact O-CB 3.22Å; I1367-L1371 WeakPolarHBondContact O-CG 3.46Å; I1367-L1371 PolarHBondContact O-N 2.82Å; L1371-Y1373 PolarHBondContact O-N 3.41Å; L1371-T1374 HydrophobicContact CD2-CG2 4.45Å; L1371-T1374 WeakPolarHBondContact O-CB 3.48Å; L1371-T1374 PolarHBondContact O-N 3.14Å; L1371-T1374 PolarHBondContact O-OG1 3.34Å; L1371-H1375 PolarHBondContact O-CD2 2.93Å; L1371-H1375 PolarHBondContact O-N 3.08Å; L1371-L1420 HydrophobicContact CD2-CD2 3.96Å; L1371-L1420 HydrophobicContact CG-CD2 4.02Å |
| 1372 | A | 77.1 | Confident | 72.8 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -30.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1318 R1319 I1322 I1368 G1369 L1370 T1374 H1375 | L1318-A1372 HydrophobicContact CB-CB 4.35Å; R1319-A1372 HydrophobicContact CG-CB 4.11Å; I1322-A1372 HydrophobicContact CD1-CB 4.05Å; I1368-A1372 PolarHBondContact O-N 2.9Å; G1369-A1372 VanDerWaalsContact O-CB 3.27Å; G1369-A1372 WeakPolarHBondContact O-CB 3.42Å; G1369-A1372 PolarHBondContact O-N 3.33Å; L1370-A1372 PolarHBondContact O-N 3.3Å; A1372-T1374 PolarHBondContact O-N 2.81Å; A1372-H1375 PolarHBondContact O-N 3.01Å |
| 1373 | Y | 77.9 | Confident | 71.8 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.4 | -20.9 | 173.6 | -73.5 | -95.3 | 0 | 0 | 0 | 113 | L1318 I1322 F1329 L1335 L1370 L1371 F1391 | L1318-Y1373 HydrophobicContact CD1-CE2 4.13Å; L1318-Y1373 HydrophobicContact CD2-CE2 4.17Å; I1322-Y1373 HydrophobicContact CD1-CD1 3.98Å; I1322-Y1373 HydrophobicContact CD1-CD2 3.72Å; I1322-Y1373 HydrophobicContact CD1-CE1 4.01Å; I1322-Y1373 HydrophobicContact CD1-CE2 3.75Å; I1322-Y1373 HydrophobicContact CD1-CG 3.84Å; F1329-Y1373 HydrophobicContact CD1-CE1 4.43Å; F1329-Y1373 HydrophobicContact CE1-CE1 4.06Å; L1335-Y1373 HydrophobicContact CD2-CD2 4.28Å; L1335-Y1373 HydrophobicContact CD2-CE1 4.49Å; L1335-Y1373 HydrophobicContact CD2-CE2 3.86Å; L1370-Y1373 WeakPolarHBondContact O-CB 3.48Å; L1370-Y1373 PolarHBondContact O-N 2.94Å; L1371-Y1373 PolarHBondContact O-N 3.41Å; Y1373-F1391 HydrophobicContact CD1-CB 4.47Å |
| 1374 | T | 71.8 | Confident | 70.7 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 8% | 0.08 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -83.2 | -29.5 | 177.2 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | L1371 A1372 S1376 W1392 W1449 | L1371-T1374 HydrophobicContact CD2-CG2 4.45Å; L1371-T1374 WeakPolarHBondContact O-CB 3.48Å; L1371-T1374 PolarHBondContact O-N 3.14Å; L1371-T1374 PolarHBondContact O-OG1 3.34Å; A1372-T1374 PolarHBondContact O-N 2.81Å; T1374-S1376 PolarHBondContact O-N 2.96Å; T1374-W1392 HydrophobicContact CG2-CD2 4.32Å; T1374-W1392 HydrophobicContact CG2-CG 4.44Å; T1374-W1392 HydrophobicContact CG2-CZ2 4.38Å; T1374-W1449 HydrophobicContact CG2-CZ2 4.42Å |
| 1375 | H | 65.5 | Low | 69.5 | Low | 117 Ų | 117 | 60.7 Ų | 60.7 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.1 | -25.3 | -172.7 | -73.4 | -52.6 | 0 | 0 | 0 | 114.7 | L1371 A1372 E1377 | L1371-H1375 PolarHBondContact O-CD2 2.93Å; L1371-H1375 PolarHBondContact O-N 3.08Å; A1372-H1375 PolarHBondContact O-N 3.01Å; H1375-E1377 PolarHBondContact O-N 3.28Å |
| 1376 | S | 60.6 | Low | 68.7 | Low | 39 Ų | 39 | 63.5 Ų | 63.5 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.8 | -178.5 | -171.7 | 0 | 0 | 0 | 0 | 113.8 | T1374 | T1374-S1376 PolarHBondContact O-N 2.96Š|
| 1377 | E | 55.9 | Low | 67.9 | Low | 19 Ų | 19 | 64.5 Ų | 64.5 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -13.3 | -167.8 | -64.4 | -89.5 | -161.4 | 0 | 0 | 113.3 | H1375 N1379 R1380 L1382 | H1375-E1377 PolarHBondContact O-N 3.28Å; E1377-N1379 PolarHBondContact O-N 2.93Å; E1377-R1380 PolarHBondContact O-N 2.98Å; E1377-L1382 WeakPolarHBondContact OE2-CD1 3.43Å |
| 1378 | L | 55.4 | Low | 67.2 | Low | 75 Ų | 75 | 67.3 Ų | 67.3 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.9 | -174.2 | -161 | 74.1 | 0 | 0 | 0 | 113.5 | I1448 | L1378-I1448 HydrophobicContact CD1-CD1 3.7Å; L1378-I1448 HydrophobicContact CG-CD1 4.37Å |
| 1379 | N | 52.8 | Low | 66.8 | Low | 162 Ų | 162 | 72.8 Ų | 72.8 | 87% | 0.866 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 3.9 | -177.8 | -69.2 | -30.9 | 0 | 0 | 0 | 114.7 | E1377 | E1377-N1379 PolarHBondContact O-N 2.93Š|
| 1380 | R | 57.3 | Low | 66.7 | Low | 140 Ų | 140 | 72.8 Ų | 72.8 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | trans | -116.8 | 126.3 | -175.5 | -164 | 174.9 | 179.6 | -161.7 | -3.8 | 111.8 | E1377 L1382 | E1377-R1380 PolarHBondContact O-N 2.98Å; R1380-L1382 HydrophobicContact CG-CD2 4.33Å; R1380-L1382 PolarHBondContact O-N 3.25Å | ||
| 1381 | V | 54.7 | Low | 66.3 | Low | 145 Ų | 145 | 74 Ų | 74 | 88% | 0.879 | 38% | 0.375 | S | S | * | . | trans | -74.3 | 110.2 | 169.4 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1382 | L | 61 | Low | 66.3 | Low | 29 Ų | 29 | 71.6 Ų | 71.6 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | trans | -100.3 | 145 | -177.2 | -66 | 163.6 | 0 | 0 | 0 | 111.4 | E1377 R1380 E1386 I1387 | E1377-L1382 WeakPolarHBondContact OE2-CD1 3.43Å; R1380-L1382 HydrophobicContact CG-CD2 4.33Å; R1380-L1382 PolarHBondContact O-N 3.25Å; L1382-E1386 HydrophobicContact CB-CB 4.33Å; L1382-E1386 HydrophobicContact CD2-CB 3.96Å; L1382-I1387 HydrophobicContact CB-CG1 3.74Å; L1382-I1387 HydrophobicContact CD1-CG1 4.28Å | ||
| 1383 | N | 62.6 | Low | 66.6 | Low | 112 Ų | 112 | 71.5 Ų | 71.5 | 60% | 0.599 | 36% | 0.362 | S | S | * | . | trans | -75.9 | 158.2 | 165.6 | -73.4 | -48.7 | 0 | 0 | 0 | 111.4 | Q1385 E1386 I1387 | N1383-Q1385 VanDerWaalsContact C-N 3.25Å; N1383-Q1385 PolarHBondContact O-N 3.36Å; N1383-Q1385 VanDerWaalsContact O-N 3.12Å; N1383-E1386 HydrophobicContact CB-CG 4.27Å; N1383-E1386 PolarHBondContact N-OE2 3.11Å; N1383-E1386 WeakPolarHBondContact O-CA 3.48Å; N1383-E1386 WeakPolarHBondContact O-CB 3.18Å; N1383-E1386 PolarHBondContact O-N 2.96Å; N1383-I1387 WeakPolarHBondContact O-CG1 3.25Å; N1383-I1387 PolarHBondContact O-N 3.47Å | ||
| 1384 | V | 63.3 | Low | 66.9 | Low | 114 Ų | 114 | 74.5 Ų | 74.5 | 69% | 0.691 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -51.5 | -39.9 | 178.8 | -178 | 0 | 0 | 0 | 0 | 113.3 | N1388 | V1384-N1388 PolarHBondContact O-N 3.24Å |
| 1385 | Q | 61.3 | Low | 67.7 | Low | 163 Ų | 163 | 74 Ų | 74 | 76% | 0.762 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.9 | -28.1 | 177.9 | -67.4 | -179.4 | -3.4 | 0 | 0 | 113.4 | N1383 | N1383-Q1385 VanDerWaalsContact C-N 3.25Å; N1383-Q1385 PolarHBondContact O-N 3.36Å; N1383-Q1385 VanDerWaalsContact O-N 3.12Å |
| 1386 | E | 66.8 | Low | 68.7 | Low | 73 Ų | 73 | 68.5 Ų | 68.5 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -77.2 | -35 | 176.4 | -65.7 | 174.5 | 149.8 | 0 | 0 | 110.4 | L1382 N1383 N1388 K1389 S1390 | L1382-E1386 HydrophobicContact CB-CB 4.33Å; L1382-E1386 HydrophobicContact CD2-CB 3.96Å; N1383-E1386 HydrophobicContact CB-CG 4.27Å; N1383-E1386 PolarHBondContact N-OE2 3.11Å; N1383-E1386 WeakPolarHBondContact O-CA 3.48Å; N1383-E1386 WeakPolarHBondContact O-CB 3.18Å; N1383-E1386 PolarHBondContact O-N 2.96Å; E1386-N1388 VanDerWaalsContact C-N 3.34Å; E1386-N1388 PolarHBondContact O-N 2.69Å; E1386-K1389 CarbonylContact O-C 3.53Å; E1386-K1389 PolarHBondContact O-N 2.94Å; E1386-S1390 PolarHBondContact O-N 3.35Å |
| 1387 | I | 69.3 | Low | 70 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.1 | -46 | 173.9 | -67.5 | 173.4 | 0 | 0 | 0 | 111.1 | L1382 N1383 K1389 S1390 V1393 A1455 | L1382-I1387 HydrophobicContact CB-CG1 3.74Å; L1382-I1387 HydrophobicContact CD1-CG1 4.28Å; N1383-I1387 WeakPolarHBondContact O-CG1 3.25Å; N1383-I1387 PolarHBondContact O-N 3.47Å; I1387-K1389 PolarHBondContact O-N 3.39Å; I1387-K1389 VanDerWaalsContact O-N 3.12Å; I1387-S1390 VanDerWaalsContact O-CB 3.26Å; I1387-S1390 WeakPolarHBondContact O-CB 3.42Å; I1387-S1390 PolarHBondContact O-N 3.3Å; I1387-S1390 PolarHBondContact O-OG 3.31Å; I1387-V1393 HydrophobicContact CG2-CG2 4.31Å; I1387-V1393 VanDerWaalsContact O-CG2 3.3Å; I1387-V1393 WeakPolarHBondContact O-CG2 3.32Å; I1387-A1455 HydrophobicContact CG2-CB 3.74Å |
| 1388 | N | 71 | Confident | 71.5 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.5 | 177.9 | -75.7 | -10 | 0 | 0 | 0 | 114.1 | V1384 E1386 A1455 | V1384-N1388 PolarHBondContact O-N 3.24Å; E1386-N1388 VanDerWaalsContact C-N 3.34Å; E1386-N1388 PolarHBondContact O-N 2.69Å; N1388-A1455 VanDerWaalsContact OD1-CB 3.31Å; N1388-A1455 WeakPolarHBondContact OD1-CB 3.39Å |
| 1389 | K | 74.7 | Confident | 73.1 | Confident | 167 Ų | 167 | 68.5 Ų | 68.5 | 73% | 0.726 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 0.4 | 178 | -64.5 | -177.9 | -179.9 | 179.7 | 0 | 112.8 | E1386 I1387 | E1386-K1389 CarbonylContact O-C 3.53Å; E1386-K1389 PolarHBondContact O-N 2.94Å; I1387-K1389 PolarHBondContact O-N 3.39Å; I1387-K1389 VanDerWaalsContact O-N 3.12Å |
| 1390 | S | 77 | Confident | 74.9 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -62.8 | 145.2 | 178 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | E1386 I1387 W1392 V1393 L1394 H1452 | E1386-S1390 PolarHBondContact O-N 3.35Å; I1387-S1390 VanDerWaalsContact O-CB 3.26Å; I1387-S1390 WeakPolarHBondContact O-CB 3.42Å; I1387-S1390 PolarHBondContact O-N 3.3Å; I1387-S1390 PolarHBondContact O-OG 3.31Å; S1390-W1392 PolarHBondContact O-N 3.29Å; S1390-W1392 VanDerWaalsContact O-N 3.17Å; S1390-V1393 PolarHBondContact O-N 3.02Å; S1390-V1393 VanDerWaalsContact O-N 3.14Å; S1390-V1393 WeakPolarHBondContact OG-CB 3.43Å; S1390-V1393 WeakPolarHBondContact OG-CG2 3.48Å; S1390-V1393 PolarHBondContact OG-N 3.34Å; S1390-L1394 WeakPolarHBondContact O-CG 3.34Å; S1390-L1394 PolarHBondContact O-N 3.32Å; S1390-H1452 PolarHBondContact OG-CE1 3.37Å; S1390-H1452 PolarHBondContact OG-ND1 3.02Å |
| 1391 | F | 76.3 | Confident | 76.5 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.9 | -31.9 | 175.6 | -65.4 | -69.8 | 0 | 0 | 0 | 112.2 | V1327 F1329 Q1330 Y1373 L1394 M1395 | V1327-F1391 HydrophobicContact CG1-CE2 4.34Å; V1327-F1391 HydrophobicContact CG1-CZ 4.39Å; F1329-F1391 WeakPolarHBondContact O-CE1 3.5Å; F1329-F1391 WeakPolarHBondContact O-CZ 3.43Å; Q1330-F1391 HydrophobicContact CG-CE1 4.43Å; Y1373-F1391 HydrophobicContact CD1-CB 4.47Å; F1391-L1394 PolarHBondContact O-N 3.4Å; F1391-M1395 WeakPolarHBondContact O-CB 3.48Å; F1391-M1395 PolarHBondContact O-N 3.32Å |
| 1392 | W | 80.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -51.8 | 176.4 | -168 | -2.5 | 0 | 0 | 0 | 112.4 | T1374 S1390 L1394 M1395 L1396 I1448 W1449 H1452 | T1374-W1392 HydrophobicContact CG2-CD2 4.32Å; T1374-W1392 HydrophobicContact CG2-CG 4.44Å; T1374-W1392 HydrophobicContact CG2-CZ2 4.38Å; S1390-W1392 PolarHBondContact O-N 3.29Å; S1390-W1392 VanDerWaalsContact O-N 3.17Å; W1392-L1394 VanDerWaalsContact C-N 3.31Å; W1392-L1394 PolarHBondContact O-N 3.12Å; W1392-M1395 PolarHBondContact O-N 3.37Å; W1392-L1396 WeakPolarHBondContact O-CG 3.3Å; W1392-L1396 PolarHBondContact O-N 2.98Å; W1392-I1448 HydrophobicContact CH2-CG2 4.12Å; W1392-I1448 HydrophobicContact CZ3-CG2 3.53Å; W1392-W1449 AromaticContact CE2-CZ3 3.97Å; W1392-W1449 HydrophobicContact CH2-CB 4.36Å; W1392-W1449 AromaticContact CH2-CD1 3.83Å; W1392-W1449 AromaticContact CH2-CD2 3.77Å; W1392-W1449 HydrophobicContact CH2-CD2 3.77Å; W1392-W1449 AromaticContact CH2-CE2 3.8Å; W1392-W1449 HydrophobicContact CH2-CE3 4.32Å; W1392-W1449 AromaticContact CH2-CG 3.75Å; W1392-W1449 HydrophobicContact CH2-CG 3.75Å; W1392-W1449 HydrophobicContact CH2-CZ2 4.34Å; W1392-W1449 AromaticContact CH2-NE1 3.85Å; W1392-W1449 HydrophobicContact CZ2-CB 4.48Å; W1392-W1449 AromaticContact CZ2-CD2 3.24Å; W1392-W1449 HydrophobicContact CZ2-CD2 3.24Å; W1392-W1449 AromaticContact CZ2-CE2 3.3Å; W1392-W1449 AromaticContact CZ2-CE3 3.4Å; W1392-W1449 HydrophobicContact CZ2-CE3 3.4Å; W1392-W1449 VanDerWaalsContact CZ2-CE3 3.4Å; W1392-W1449 AromaticContact CZ2-CG 3.73Å; W1392-W1449 HydrophobicContact CZ2-CG 3.73Å; W1392-W1449 AromaticContact CZ2-CH2 3.66Å; W1392-W1449 HydrophobicContact CZ2-CH2 3.66Å; W1392-W1449 AromaticContact CZ2-CZ2 3.53Å; W1392-W1449 HydrophobicContact CZ2-CZ2 3.53Å; W1392-W1449 AromaticContact CZ2-CZ3 3.61Å; W1392-W1449 HydrophobicContact CZ2-CZ3 3.61Å; W1392-W1449 AromaticContact CZ2-NE1 3.86Å; W1392-W1449 AromaticContact NE1-CH2 3.76Å; W1392-W1449 AromaticContact NE1-CZ3 3.68Å; W1392-H1452 HydrophobicContact CD2-CB 4.21Å; W1392-H1452 AromaticContact CD2-CD2 3.91Å; W1392-H1452 AromaticContact CD2-CG 3.92Å; W1392-H1452 HydrophobicContact CE3-CB 4.35Å; W1392-H1452 AromaticContact CE3-CD2 3.19Å; W1392-H1452 AromaticContact CE3-CE1 3.96Å; W1392-H1452 AromaticContact CE3-CG 3.66Å; W1392-H1452 AromaticContact CE3-NE2 3.45Å; W1392-H1452 AromaticContact CZ3-CD2 3.33Å; W1392-H1452 WeakPolarHBondContact CZ3-CD2 3.43Å; W1392-H1452 AromaticContact CZ3-NE2 3.76Å |
| 1393 | V | 83.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 177.8 | 167.2 | 0 | 0 | 0 | 0 | 110.3 | I1387 S1390 M1395 L1396 K1397 H1452 A1455 L1456 | I1387-V1393 HydrophobicContact CG2-CG2 4.31Å; I1387-V1393 VanDerWaalsContact O-CG2 3.3Å; I1387-V1393 WeakPolarHBondContact O-CG2 3.32Å; S1390-V1393 PolarHBondContact O-N 3.02Å; S1390-V1393 VanDerWaalsContact O-N 3.14Å; S1390-V1393 WeakPolarHBondContact OG-CB 3.43Å; S1390-V1393 WeakPolarHBondContact OG-CG2 3.48Å; S1390-V1393 PolarHBondContact OG-N 3.34Å; V1393-M1395 PolarHBondContact O-N 3.02Å; V1393-L1396 PolarHBondContact O-N 3.43Å; V1393-K1397 HydrophobicContact CG1-CG 4.4Å; V1393-K1397 WeakPolarHBondContact O-CG 3.33Å; V1393-K1397 PolarHBondContact O-N 3.33Å; V1393-H1452 HydrophobicContact CG2-CB 4.1Å; V1393-A1455 HydrophobicContact CG2-CB 4.28Å; V1393-L1456 HydrophobicContact CG1-CD1 4.38Å; V1393-L1456 HydrophobicContact CG1-CD2 3.79Å; V1393-L1456 HydrophobicContact CG1-CG 3.94Å; V1393-L1456 HydrophobicContact CG2-CD1 4.3Å; V1393-L1456 HydrophobicContact CG2-CG 4.44Å |
| 1394 | L | 83.3 | Confident | 80.7 | Confident | 71 Ų | 71 | 50 Ų | 50 | 37% | 0.372 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -43 | 176.3 | -67.5 | 174.2 | 0 | 0 | 0 | 112.6 | S1390 F1391 W1392 K1397 E1398 | S1390-L1394 WeakPolarHBondContact O-CG 3.34Å; S1390-L1394 PolarHBondContact O-N 3.32Å; F1391-L1394 PolarHBondContact O-N 3.4Å; W1392-L1394 VanDerWaalsContact C-N 3.31Å; W1392-L1394 PolarHBondContact O-N 3.12Å; L1394-K1397 PolarHBondContact O-N 2.97Å; L1394-E1398 PolarHBondContact O-N 3.45Å |
| 1395 | M | 88.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.4 | 178.3 | -80.5 | -67.2 | 0 | 0 | 111.5 | L1335 F1339 F1391 W1392 V1393 E1398 L1399 L1420 | L1335-M1395 HydrophobicContact CD1-CB 3.88Å; L1335-M1395 HydrophobicContact CD1-CG 3.86Å; L1335-M1395 HydrophobicContact CD2-CB 4.45Å; L1335-M1395 HydrophobicContact CD2-CG 3.69Å; L1335-M1395 HydrophobicContact CG-CG 4.42Å; F1339-M1395 HydrophobicContact CZ-SD 4.46Å; F1391-M1395 WeakPolarHBondContact O-CB 3.48Å; F1391-M1395 PolarHBondContact O-N 3.32Å; W1392-M1395 PolarHBondContact O-N 3.37Å; V1393-M1395 PolarHBondContact O-N 3.02Å; M1395-E1398 PolarHBondContact O-N 2.99Å; M1395-L1399 PolarHBondContact O-N 3.46Å; M1395-L1420 HydrophobicContact CE-CD1 4.23Å; M1395-L1420 HydrophobicContact SD-CD1 4.34Å |
| 1396 | L | 86.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -34.9 | 177.5 | -65.6 | 174.9 | 0 | 0 | 0 | 112.3 | W1392 V1393 E1398 L1399 V1400 F1417 L1453 L1456 | W1392-L1396 WeakPolarHBondContact O-CG 3.3Å; W1392-L1396 PolarHBondContact O-N 2.98Å; V1393-L1396 PolarHBondContact O-N 3.43Å; L1396-E1398 VanDerWaalsContact C-N 3.32Å; L1396-E1398 PolarHBondContact O-N 3.47Å; L1396-L1399 HydrophobicContact CD2-CD2 4.45Å; L1396-L1399 PolarHBondContact O-N 2.86Å; L1396-V1400 WeakPolarHBondContact O-CG2 3.26Å; L1396-V1400 PolarHBondContact O-N 2.87Å; L1396-F1417 HydrophobicContact CD2-CD1 4.32Å; L1396-F1417 HydrophobicContact CD2-CE1 3.81Å; L1396-L1453 HydrophobicContact CD1-CD2 4.25Å; L1396-L1456 HydrophobicContact CB-CD1 3.39Å; L1396-L1456 HydrophobicContact CB-CD2 4.47Å; L1396-L1456 HydrophobicContact CD1-CD1 3.39Å; L1396-L1456 HydrophobicContact CG-CD1 4.03Å |
| 1397 | K | 87.5 | Confident | 83.5 | Confident | 74 Ų | 74 | 42 Ų | 42 | 32% | 0.322 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.4 | -44 | 172 | -71.3 | -166.2 | -169.7 | -136.5 | 0 | 111.3 | V1393 L1394 L1399 V1400 H1401 L1456 E1459 | V1393-K1397 HydrophobicContact CG1-CG 4.4Å; V1393-K1397 WeakPolarHBondContact O-CG 3.33Å; V1393-K1397 PolarHBondContact O-N 3.33Å; L1394-K1397 PolarHBondContact O-N 2.97Å; K1397-L1399 VanDerWaalsContact C-N 3.32Å; K1397-V1400 PolarHBondContact O-N 3.42Å; K1397-H1401 WeakPolarHBondContact O-CB 3.38Å; K1397-H1401 PolarHBondContact O-N 3.14Å; K1397-L1456 HydrophobicContact CB-CD2 4.39Å; K1397-L1456 HydrophobicContact CD-CD2 4.25Å; K1397-L1456 HydrophobicContact CG-CD2 3.3Å; K1397-E1459 WeakPolarHBondContact CE-OE1 3.35Å; K1397-E1459 IonicContact NZ-OE1 3.74Å; K1397-E1459 PolarHBondContact NZ-OE1 3.42Å |
| 1398 | E | 87.2 | Confident | 83.9 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65 | -38 | 176.9 | -163.3 | 62.1 | -144.8 | 0 | 0 | 111.2 | L1335 F1339 L1394 M1395 L1396 H1401 F1402 | L1335-E1398 HydrophobicContact CB-CG 4.4Å; L1335-E1398 HydrophobicContact CD1-CB 4.2Å; L1335-E1398 HydrophobicContact CD1-CG 4.5Å; F1339-E1398 HydrophobicContact CE2-CB 4.25Å; F1339-E1398 HydrophobicContact CE2-CG 4.11Å; L1394-E1398 PolarHBondContact O-N 3.45Å; M1395-E1398 PolarHBondContact O-N 2.99Å; L1396-E1398 VanDerWaalsContact C-N 3.32Å; L1396-E1398 PolarHBondContact O-N 3.47Å; E1398-H1401 PolarHBondContact O-N 3.45Å; E1398-H1401 IonicContact OE1-ND1 3.47Å; E1398-F1402 WeakPolarHBondContact O-CB 3.41Å; E1398-F1402 PolarHBondContact O-N 2.68Å |
| 1399 | L | 89.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 174.8 | -177.4 | 61 | 0 | 0 | 0 | 112.3 | F1339 M1395 L1396 K1397 F1402 T1403 I1416 F1417 L1420 | F1339-L1399 HydrophobicContact CD1-CD1 4.07Å; F1339-L1399 HydrophobicContact CD2-CD1 4.38Å; F1339-L1399 HydrophobicContact CE1-CD1 3.95Å; F1339-L1399 HydrophobicContact CE2-CB 4.11Å; F1339-L1399 HydrophobicContact CE2-CD1 4.27Å; F1339-L1399 HydrophobicContact CG-CD1 4.3Å; F1339-L1399 HydrophobicContact CZ-CB 3.88Å; F1339-L1399 HydrophobicContact CZ-CD1 4.05Å; M1395-L1399 PolarHBondContact O-N 3.46Å; L1396-L1399 HydrophobicContact CD2-CD2 4.45Å; L1396-L1399 PolarHBondContact O-N 2.86Å; K1397-L1399 VanDerWaalsContact C-N 3.32Å; L1399-F1402 HydrophobicContact CD1-CD1 4.3Å; L1399-F1402 PolarHBondContact O-N 3.14Å; L1399-T1403 WeakPolarHBondContact O-CB 3.22Å; L1399-T1403 PolarHBondContact O-N 3.11Å; L1399-T1403 PolarHBondContact O-OG1 3.36Å; L1399-I1416 HydrophobicContact CD1-CB 4.04Å; L1399-I1416 HydrophobicContact CD1-CD1 3.97Å; L1399-I1416 HydrophobicContact CD1-CG2 3.82Å; L1399-I1416 HydrophobicContact CD2-CB 4.3Å; L1399-I1416 HydrophobicContact CD2-CG2 3.71Å; L1399-I1416 HydrophobicContact CG-CG2 4.45Å; L1399-F1417 HydrophobicContact CB-CE2 4.34Å; L1399-F1417 HydrophobicContact CB-CZ 4.14Å; L1399-F1417 HydrophobicContact CD2-CD1 3.83Å; L1399-F1417 HydrophobicContact CD2-CD2 3.68Å; L1399-F1417 HydrophobicContact CD2-CE1 3.76Å; L1399-F1417 HydrophobicContact CD2-CE2 3.59Å; L1399-F1417 HydrophobicContact CD2-CG 3.78Å; L1399-F1417 HydrophobicContact CD2-CZ 3.61Å; L1399-F1417 HydrophobicContact CG-CD2 3.99Å; L1399-F1417 HydrophobicContact CG-CE1 4.4Å; L1399-F1417 HydrophobicContact CG-CE2 3.53Å; L1399-F1417 HydrophobicContact CG-CZ 3.74Å; L1399-L1420 HydrophobicContact CD2-CD1 4.25Å |
| 1400 | V | 90.4 | Very high | 85.3 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 172.6 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | L1396 K1397 F1402 T1403 I1404 F1417 E1459 L1460 M1463 | L1396-V1400 WeakPolarHBondContact O-CG2 3.26Å; L1396-V1400 PolarHBondContact O-N 2.87Å; K1397-V1400 PolarHBondContact O-N 3.42Å; V1400-F1402 PolarHBondContact O-N 3.34Å; V1400-T1403 PolarHBondContact O-N 3.19Å; V1400-I1404 HydrophobicContact CG1-CD1 3.57Å; V1400-I1404 HydrophobicContact CG1-CG1 4.37Å; V1400-I1404 WeakPolarHBondContact O-CG1 3.4Å; V1400-I1404 PolarHBondContact O-N 3.48Å; V1400-F1417 HydrophobicContact CG2-CE2 4.31Å; V1400-F1417 HydrophobicContact CG2-CZ 3.7Å; V1400-E1459 HydrophobicContact CG1-CB 4.24Å; V1400-L1460 HydrophobicContact CG2-CD2 4.06Å; V1400-M1463 HydrophobicContact CG1-CB 4.13Å; V1400-M1463 HydrophobicContact CG1-CG 4.5Å; V1400-M1463 HydrophobicContact CG1-SD 4.32Å; V1400-M1463 HydrophobicContact CG2-SD 4.23Å |
| 1401 | H | 90.7 | Very high | 85.8 | Confident | 120 Ų | 120 | 35.6 Ų | 35.6 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -60.9 | -44.1 | 178 | -180 | -100.7 | 0 | 0 | 0 | 111.7 | K1397 E1398 I1404 S1405 | K1397-H1401 WeakPolarHBondContact O-CB 3.38Å; K1397-H1401 PolarHBondContact O-N 3.14Å; E1398-H1401 PolarHBondContact O-N 3.45Å; E1398-H1401 IonicContact OE1-ND1 3.47Å; H1401-I1404 PolarHBondContact O-N 3.29Å; H1401-S1405 WeakPolarHBondContact O-CB 3.39Å; H1401-S1405 PolarHBondContact O-N 3.06Å |
| 1402 | F | 90 | Very high | 86.2 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.1 | -50 | 173.1 | 171.6 | -103.5 | 0 | 0 | 0 | 111.7 | F1339 H1340 A1343 E1398 L1399 V1400 I1404 S1405 F1409 | F1339-F1402 HydrophobicContact CB-CD1 3.84Å; F1339-F1402 HydrophobicContact CB-CD2 4Å; F1339-F1402 HydrophobicContact CB-CE1 3.85Å; F1339-F1402 HydrophobicContact CB-CE2 4.02Å; F1339-F1402 HydrophobicContact CB-CG 3.91Å; F1339-F1402 HydrophobicContact CB-CZ 3.93Å; F1339-F1402 HydrophobicContact CD2-CB 3.95Å; F1339-F1402 HydrophobicContact CD2-CD1 4.39Å; F1339-F1402 HydrophobicContact CD2-CG 4.05Å; F1339-F1402 HydrophobicContact CG-CD1 4.32Å; F1339-F1402 HydrophobicContact CG-CG 4.35Å; H1340-F1402 AromaticContact CE1-CD2 3.66Å; H1340-F1402 AromaticContact CE1-CE2 3.48Å; H1340-F1402 VanDerWaalsContact CE1-CE2 3.48Å; H1340-F1402 WeakPolarHBondContact CE1-CE2 3.4Å; H1340-F1402 AromaticContact ND1-CD2 3.83Å; H1340-F1402 AromaticContact ND1-CE2 3.43Å; H1340-F1402 WeakPolarHBondContact ND1-CE2 3.34Å; A1343-F1402 HydrophobicContact CB-CZ 4.19Å; E1398-F1402 WeakPolarHBondContact O-CB 3.41Å; E1398-F1402 PolarHBondContact O-N 2.68Å; L1399-F1402 HydrophobicContact CD1-CD1 4.3Å; L1399-F1402 PolarHBondContact O-N 3.14Å; V1400-F1402 PolarHBondContact O-N 3.34Å; F1402-I1404 VanDerWaalsContact C-N 3.28Å; F1402-I1404 PolarHBondContact O-N 3.26Å; F1402-S1405 PolarHBondContact O-N 2.96Å; F1402-S1405 PolarHBondContact O-OG 3Å; F1402-F1409 HydrophobicContact CD1-CB 4.38Å; F1402-F1409 HydrophobicContact CD2-CD2 4.33Å; F1402-F1409 HydrophobicContact CD2-CG 4.34Å; F1402-F1409 HydrophobicContact CE1-CB 3.92Å; F1402-F1409 HydrophobicContact CE1-CD1 4.28Å; F1402-F1409 HydrophobicContact CE1-CG 4.2Å; F1402-F1409 HydrophobicContact CE2-CB 4.19Å; F1402-F1409 AromaticContact CE2-CD1 3.66Å; F1402-F1409 HydrophobicContact CE2-CD1 3.66Å; F1402-F1409 AromaticContact CE2-CD2 3.89Å; F1402-F1409 HydrophobicContact CE2-CD2 3.89Å; F1402-F1409 AromaticContact CE2-CE1 3.94Å; F1402-F1409 HydrophobicContact CE2-CE1 3.94Å; F1402-F1409 HydrophobicContact CE2-CE2 4.16Å; F1402-F1409 AromaticContact CE2-CG 3.64Å; F1402-F1409 HydrophobicContact CE2-CG 3.64Å; F1402-F1409 HydrophobicContact CE2-CZ 4.19Å; F1402-F1409 HydrophobicContact CZ-CB 3.82Å; F1402-F1409 AromaticContact CZ-CD1 3.38Å; F1402-F1409 HydrophobicContact CZ-CD1 3.38Å; F1402-F1409 HydrophobicContact CZ-CD2 4.29Å; F1402-F1409 AromaticContact CZ-CE1 3.99Å; F1402-F1409 HydrophobicContact CZ-CE1 3.99Å; F1402-F1409 AromaticContact CZ-CG 3.57Å; F1402-F1409 HydrophobicContact CZ-CG 3.57Å |
| 1403 | T | 88.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.4 | -40.4 | 178.7 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | L1399 V1400 F1410 G1413 M1463 L1467 | L1399-T1403 WeakPolarHBondContact O-CB 3.22Å; L1399-T1403 PolarHBondContact O-N 3.11Å; L1399-T1403 PolarHBondContact O-OG1 3.36Å; V1400-T1403 PolarHBondContact O-N 3.19Å; T1403-F1410 WeakPolarHBondContact O-CD1 3.48Å; T1403-F1410 WeakPolarHBondContact O-CE1 3.36Å; T1403-G1413 WeakPolarHBondContact OG1-CA 3.33Å; T1403-M1463 HydrophobicContact CG2-CG 4.37Å; T1403-M1463 HydrophobicContact CG2-SD 3.97Å; T1403-L1467 HydrophobicContact CG2-CD1 4.36Å |
| 1404 | I | 88.7 | Confident | 86.8 | Confident | 69 Ų | 69 | 34.2 Ų | 34.2 | 35% | 0.354 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -82.3 | -19.1 | -176.9 | -63.6 | 169.7 | 0 | 0 | 0 | 112.7 | V1400 H1401 F1402 S1406 M1463 L1466 | V1400-I1404 HydrophobicContact CG1-CD1 3.57Å; V1400-I1404 HydrophobicContact CG1-CG1 4.37Å; V1400-I1404 WeakPolarHBondContact O-CG1 3.4Å; V1400-I1404 PolarHBondContact O-N 3.48Å; H1401-I1404 PolarHBondContact O-N 3.29Å; F1402-I1404 VanDerWaalsContact C-N 3.28Å; F1402-I1404 PolarHBondContact O-N 3.26Å; I1404-S1406 PolarHBondContact O-N 3.39Å; I1404-M1463 HydrophobicContact CD1-CB 4.05Å; I1404-M1463 HydrophobicContact CD1-CG 4.34Å; I1404-M1463 HydrophobicContact CG1-CB 4.42Å; I1404-M1463 HydrophobicContact CG1-CG 4.19Å; I1404-L1466 HydrophobicContact CB-CD2 4.38Å; I1404-L1466 HydrophobicContact CG1-CD2 4.23Å; I1404-L1466 HydrophobicContact CG2-CD2 3.77Å |
| 1405 | S | 87.5 | Confident | 87.1 | Confident | 69 Ų | 69 | 32.5 Ų | 32.5 | 48% | 0.483 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.4 | -34.4 | -170 | 66.8 | 0 | 0 | 0 | 0 | 115 | H1401 F1402 F1409 | H1401-S1405 WeakPolarHBondContact O-CB 3.39Å; H1401-S1405 PolarHBondContact O-N 3.06Å; F1402-S1405 PolarHBondContact O-N 2.96Å; F1402-S1405 PolarHBondContact O-OG 3Å; S1405-F1409 WeakPolarHBondContact OG-CD2 3.45Å |
| 1406 | S | 82.9 | Confident | 87.1 | Confident | 38 Ų | 38 | 32.4 Ų | 32.4 | 27% | 0.266 | 18% | 0.177 | S | C | . | . | trans | -153 | 145.2 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | I1404 C1408 F1409 | I1404-S1406 PolarHBondContact O-N 3.39Å; S1406-C1408 PolarHBondContact O-N 3.02Å; S1406-C1408 VanDerWaalsContact O-N 3.15Å; S1406-F1409 PolarHBondContact O-N 3.06Å | ||
| 1407 | P | 78.3 | Confident | 87.2 | Confident | 75 Ų | 75 | 32.5 Ų | 32.5 | 49% | 0.487 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -58.2 | -27.5 | 178 | 23.4 | -34.8 | 0 | 0 | 0 | 113.8 | F1409 F1410 | P1407-F1409 PolarHBondContact O-N 3.42Å; P1407-F1410 HydrophobicContact CB-CD2 4.25Å; P1407-F1410 HydrophobicContact CB-CE2 3.93Å; P1407-F1410 HydrophobicContact CB-CZ 4.14Å; P1407-F1410 WeakPolarHBondContact O-CB 3.38Å; P1407-F1410 WeakPolarHBondContact O-CG 3.37Å; P1407-F1410 PolarHBondContact O-N 2.65Å |
| 1408 | C | 78.6 | Confident | 87.1 | Confident | 51 Ų | 51 | 29.9 Ų | 29.9 | 35% | 0.345 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -63.6 | -20.1 | 174.4 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | F1347 S1406 | F1347-C1408 WeakPolarHBondContact CE2-O 3.33Å; F1347-C1408 WeakPolarHBondContact CZ-O 3.4Å; S1406-C1408 PolarHBondContact O-N 3.02Å; S1406-C1408 VanDerWaalsContact O-N 3.15Å |
| 1409 | F | 86.6 | Confident | 87 | Confident | 17 Ų | 17 | 30.9 Ų | 30.9 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -99.4 | -0.6 | -178.7 | -55.6 | -48 | 0 | 0 | 0 | 113.9 | I1274 A1343 F1402 S1405 S1406 P1407 G1413 | I1274-F1409 HydrophobicContact CD1-CE1 4.03Å; I1274-F1409 HydrophobicContact CD1-CZ 3.99Å; I1274-F1409 HydrophobicContact CG1-CE1 4.46Å; I1274-F1409 HydrophobicContact CG2-CZ 4.47Å; A1343-F1409 HydrophobicContact CB-CD1 4.18Å; A1343-F1409 HydrophobicContact CB-CE1 4.34Å; F1402-F1409 HydrophobicContact CD1-CB 4.38Å; F1402-F1409 HydrophobicContact CD2-CD2 4.33Å; F1402-F1409 HydrophobicContact CD2-CG 4.34Å; F1402-F1409 HydrophobicContact CE1-CB 3.92Å; F1402-F1409 HydrophobicContact CE1-CD1 4.28Å; F1402-F1409 HydrophobicContact CE1-CG 4.2Å; F1402-F1409 HydrophobicContact CE2-CB 4.19Å; F1402-F1409 AromaticContact CE2-CD1 3.66Å; F1402-F1409 HydrophobicContact CE2-CD1 3.66Å; F1402-F1409 AromaticContact CE2-CD2 3.89Å; F1402-F1409 HydrophobicContact CE2-CD2 3.89Å; F1402-F1409 AromaticContact CE2-CE1 3.94Å; F1402-F1409 HydrophobicContact CE2-CE1 3.94Å; F1402-F1409 HydrophobicContact CE2-CE2 4.16Å; F1402-F1409 AromaticContact CE2-CG 3.64Å; F1402-F1409 HydrophobicContact CE2-CG 3.64Å; F1402-F1409 HydrophobicContact CE2-CZ 4.19Å; F1402-F1409 HydrophobicContact CZ-CB 3.82Å; F1402-F1409 AromaticContact CZ-CD1 3.38Å; F1402-F1409 HydrophobicContact CZ-CD1 3.38Å; F1402-F1409 HydrophobicContact CZ-CD2 4.29Å; F1402-F1409 AromaticContact CZ-CE1 3.99Å; F1402-F1409 HydrophobicContact CZ-CE1 3.99Å; F1402-F1409 AromaticContact CZ-CG 3.57Å; F1402-F1409 HydrophobicContact CZ-CG 3.57Å; S1405-F1409 WeakPolarHBondContact OG-CD2 3.45Å; S1406-F1409 PolarHBondContact O-N 3.06Å; P1407-F1409 PolarHBondContact O-N 3.42Å; F1409-G1413 PolarHBondContact O-N 3.01Å |
| 1410 | F | 89 | Confident | 86.8 | Confident | 21 Ų | 21 | 31.2 Ų | 31.2 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.2 | -52 | 179.8 | -69.1 | -4.4 | 0 | 0 | 0 | 112.2 | T1403 P1407 I1414 L1466 L1467 L1478 L1573 | T1403-F1410 WeakPolarHBondContact O-CD1 3.48Å; T1403-F1410 WeakPolarHBondContact O-CE1 3.36Å; P1407-F1410 HydrophobicContact CB-CD2 4.25Å; P1407-F1410 HydrophobicContact CB-CE2 3.93Å; P1407-F1410 HydrophobicContact CB-CZ 4.14Å; P1407-F1410 WeakPolarHBondContact O-CB 3.38Å; P1407-F1410 WeakPolarHBondContact O-CG 3.37Å; P1407-F1410 PolarHBondContact O-N 2.65Å; F1410-I1414 VanDerWaalsContact O-CG1 3.29Å; F1410-I1414 WeakPolarHBondContact O-CG1 3.37Å; F1410-I1414 PolarHBondContact O-N 3.05Å; F1410-L1466 HydrophobicContact CE1-CD2 4.3Å; F1410-L1466 HydrophobicContact CZ-CD2 4.15Å; F1410-L1467 HydrophobicContact CB-CD2 3.7Å; F1410-L1467 HydrophobicContact CD1-CD2 3.85Å; F1410-L1467 HydrophobicContact CD2-CD2 3.72Å; F1410-L1467 HydrophobicContact CE1-CD2 4.38Å; F1410-L1467 HydrophobicContact CE2-CD2 4.27Å; F1410-L1467 HydrophobicContact CG-CD2 3.48Å; F1410-L1467 VanDerWaalsContact CG-CD2 3.48Å; F1410-L1478 HydrophobicContact CB-CD1 3.99Å; F1410-L1478 HydrophobicContact CB-CD2 4.07Å; F1410-L1478 HydrophobicContact CD2-CD2 4.29Å; F1410-L1573 HydrophobicContact CE2-CD1 4.44Å |
| 1411 | L | 86.6 | Confident | 86.5 | Confident | 42 Ų | 42 | 31.2 Ų | 31.2 | 22% | 0.22 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.1 | -51.2 | -179.4 | 174.4 | 67.6 | 0 | 0 | 0 | 112.1 | G1413 I1414 L1415 L1478 N1481 | L1411-G1413 VanDerWaalsContact C-N 3.31Å; L1411-G1413 PolarHBondContact O-N 3.12Å; L1411-I1414 PolarHBondContact O-N 3.44Å; L1411-L1415 HydrophobicContact CD1-CD1 3.97Å; L1411-L1415 HydrophobicContact CD1-CG 4.13Å; L1411-L1415 HydrophobicContact CG-CD1 3.95Å; L1411-L1415 WeakPolarHBondContact O-CG 3.11Å; L1411-L1415 PolarHBondContact O-N 3.14Å; L1411-L1478 HydrophobicContact CB-CD1 4.11Å; L1411-N1481 HydrophobicContact CD1-CB 4.37Å |
| 1412 | P | 85.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.1 | -43.2 | 175.9 | -27.4 | 34.6 | 0 | 0 | 0 | 113.8 | A1343 I1346 F1347 I1414 L1415 I1416 | A1343-P1412 HydrophobicContact CB-CB 3.78Å; A1343-P1412 HydrophobicContact CB-CG 3.86Å; I1346-P1412 HydrophobicContact CD1-CB 3.82Å; I1346-P1412 HydrophobicContact CD1-CG 4.1Å; F1347-P1412 HydrophobicContact CE2-CG 3.64Å; F1347-P1412 HydrophobicContact CZ-CG 3.89Å; P1412-I1414 PolarHBondContact O-N 3.24Å; P1412-L1415 PolarHBondContact O-N 3.24Å; P1412-I1416 WeakPolarHBondContact O-CG1 3.48Å; P1412-I1416 PolarHBondContact O-N 3.02Å |
| 1413 | G | 87.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1403 F1409 L1411 L1415 I1416 F1417 | T1403-G1413 WeakPolarHBondContact OG1-CA 3.33Å; F1409-G1413 PolarHBondContact O-N 3.01Å; L1411-G1413 VanDerWaalsContact C-N 3.31Å; L1411-G1413 PolarHBondContact O-N 3.12Å; G1413-L1415 PolarHBondContact O-N 3.17Å; G1413-I1416 PolarHBondContact O-N 2.85Å; G1413-F1417 VanDerWaalsContact O-CD2 3.26Å; G1413-F1417 WeakPolarHBondContact O-CD2 3.26Å; G1413-F1417 PolarHBondContact O-N 3.31Å; G1413-F1417 VanDerWaalsContact O-N 3.09Å |
| 1414 | I | 89.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 177.1 | -63.8 | 171.1 | 0 | 0 | 0 | 111.6 | F1410 L1411 P1412 F1417 L1418 L1467 L1478 N1481 L1482 F1485 | F1410-I1414 VanDerWaalsContact O-CG1 3.29Å; F1410-I1414 WeakPolarHBondContact O-CG1 3.37Å; F1410-I1414 PolarHBondContact O-N 3.05Å; L1411-I1414 PolarHBondContact O-N 3.44Å; P1412-I1414 PolarHBondContact O-N 3.24Å; I1414-F1417 WeakPolarHBondContact O-CB 3.43Å; I1414-F1417 PolarHBondContact O-N 3.04Å; I1414-L1418 HydrophobicContact CG2-CD1 4.05Å; I1414-L1418 HydrophobicContact CG2-CG 4.35Å; I1414-L1418 WeakPolarHBondContact O-CG 3.45Å; I1414-L1418 PolarHBondContact O-N 2.89Å; I1414-L1467 HydrophobicContact CD1-CD1 3.77Å; I1414-L1467 HydrophobicContact CG1-CD1 4Å; I1414-L1478 HydrophobicContact CD1-CD1 3.54Å; I1414-N1481 HydrophobicContact CG2-CB 3.97Å; I1414-L1482 HydrophobicContact CD1-CB 4.23Å; I1414-L1482 HydrophobicContact CD1-CD1 4.18Å; I1414-F1485 HydrophobicContact CG2-CB 4.01Å; I1414-F1485 HydrophobicContact CG2-CG 4.49Å |
| 1415 | L | 89 | Confident | 83.5 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 178.5 | -71.4 | 172.2 | 0 | 0 | 0 | 111.5 | Y1342 I1346 L1411 P1412 G1413 F1417 L1418 D1419 | Y1342-L1415 HydrophobicContact CE1-CB 4.06Å; I1346-L1415 HydrophobicContact CD1-CB 4.32Å; I1346-L1415 HydrophobicContact CD1-CD1 3.55Å; I1346-L1415 HydrophobicContact CG1-CD1 4.29Å; L1411-L1415 HydrophobicContact CD1-CD1 3.97Å; L1411-L1415 HydrophobicContact CD1-CG 4.13Å; L1411-L1415 HydrophobicContact CG-CD1 3.95Å; L1411-L1415 WeakPolarHBondContact O-CG 3.11Å; L1411-L1415 PolarHBondContact O-N 3.14Å; P1412-L1415 PolarHBondContact O-N 3.24Å; G1413-L1415 PolarHBondContact O-N 3.17Å; L1415-F1417 VanDerWaalsContact C-N 3.31Å; L1415-F1417 PolarHBondContact O-N 3.31Å; L1415-L1418 HydrophobicContact CD2-CD1 4.5Å; L1415-L1418 PolarHBondContact O-N 3.25Å; L1415-L1418 VanDerWaalsContact O-N 3.16Å; L1415-D1419 PolarHBondContact O-N 2.95Å |
| 1416 | I | 88.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 172.7 | -63.6 | 167.4 | 0 | 0 | 0 | 110.6 | F1339 Y1342 I1367 L1370 L1399 P1412 G1413 L1418 D1419 L1420 | F1339-I1416 HydrophobicContact CB-CD1 4.36Å; F1339-I1416 HydrophobicContact CD1-CD1 4.01Å; F1339-I1416 HydrophobicContact CG-CD1 4.49Å; Y1342-I1416 HydrophobicContact CD1-CD1 3.62Å; Y1342-I1416 HydrophobicContact CD1-CG1 3.29Å; Y1342-I1416 HydrophobicContact CD2-CG1 4.24Å; Y1342-I1416 HydrophobicContact CE1-CD1 4.19Å; Y1342-I1416 HydrophobicContact CE1-CG1 3.37Å; Y1342-I1416 HydrophobicContact CE2-CG1 4.32Å; Y1342-I1416 HydrophobicContact CG-CD1 3.98Å; Y1342-I1416 HydrophobicContact CG-CG1 3.75Å; I1367-I1416 HydrophobicContact CD1-CG2 4.43Å; L1370-I1416 HydrophobicContact CD1-CG2 4.06Å; L1399-I1416 HydrophobicContact CD1-CB 4.04Å; L1399-I1416 HydrophobicContact CD1-CD1 3.97Å; L1399-I1416 HydrophobicContact CD1-CG2 3.82Å; L1399-I1416 HydrophobicContact CD2-CB 4.3Å; L1399-I1416 HydrophobicContact CD2-CG2 3.71Å; L1399-I1416 HydrophobicContact CG-CG2 4.45Å; P1412-I1416 WeakPolarHBondContact O-CG1 3.48Å; P1412-I1416 PolarHBondContact O-N 3.02Å; G1413-I1416 PolarHBondContact O-N 2.85Å; I1416-L1418 PolarHBondContact O-N 3.31Å; I1416-D1419 PolarHBondContact O-N 3.49Å; I1416-L1420 HydrophobicContact CG2-CD1 3.72Å; I1416-L1420 HydrophobicContact CG2-CG 4.29Å; I1416-L1420 WeakPolarHBondContact O-CB 3.43Å; I1416-L1420 WeakPolarHBondContact O-CG 3.43Å; I1416-L1420 PolarHBondContact O-N 3.47Å |
| 1417 | F | 88.7 | Confident | 81.1 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59 | -46 | 175.2 | -88.4 | -70 | 0 | 0 | 0 | 112.2 | L1396 L1399 V1400 G1413 I1414 L1415 L1420 L1421 L1460 M1463 F1485 | L1396-F1417 HydrophobicContact CD2-CD1 4.32Å; L1396-F1417 HydrophobicContact CD2-CE1 3.81Å; L1399-F1417 HydrophobicContact CB-CE2 4.34Å; L1399-F1417 HydrophobicContact CB-CZ 4.14Å; L1399-F1417 HydrophobicContact CD2-CD1 3.83Å; L1399-F1417 HydrophobicContact CD2-CD2 3.68Å; L1399-F1417 HydrophobicContact CD2-CE1 3.76Å; L1399-F1417 HydrophobicContact CD2-CE2 3.59Å; L1399-F1417 HydrophobicContact CD2-CG 3.78Å; L1399-F1417 HydrophobicContact CD2-CZ 3.61Å; L1399-F1417 HydrophobicContact CG-CD2 3.99Å; L1399-F1417 HydrophobicContact CG-CE1 4.4Å; L1399-F1417 HydrophobicContact CG-CE2 3.53Å; L1399-F1417 HydrophobicContact CG-CZ 3.74Å; V1400-F1417 HydrophobicContact CG2-CE2 4.31Å; V1400-F1417 HydrophobicContact CG2-CZ 3.7Å; G1413-F1417 VanDerWaalsContact O-CD2 3.26Å; G1413-F1417 WeakPolarHBondContact O-CD2 3.26Å; G1413-F1417 PolarHBondContact O-N 3.31Å; G1413-F1417 VanDerWaalsContact O-N 3.09Å; I1414-F1417 WeakPolarHBondContact O-CB 3.43Å; I1414-F1417 PolarHBondContact O-N 3.04Å; L1415-F1417 VanDerWaalsContact C-N 3.31Å; L1415-F1417 PolarHBondContact O-N 3.31Å; F1417-L1420 PolarHBondContact O-N 2.65Å; F1417-L1421 WeakPolarHBondContact O-CB 3.44Å; F1417-L1421 WeakPolarHBondContact O-CD1 3.19Å; F1417-L1421 WeakPolarHBondContact O-CG 3.23Å; F1417-L1421 PolarHBondContact O-N 3.3Å; F1417-L1460 HydrophobicContact CE1-CD2 4.25Å; F1417-L1460 HydrophobicContact CZ-CD2 4.22Å; F1417-M1463 HydrophobicContact CD2-CE 4.39Å; F1417-M1463 HydrophobicContact CE2-CE 4.06Å; F1417-M1463 HydrophobicContact CE2-SD 3.85Å; F1417-F1485 HydrophobicContact CB-CD2 3.88Å; F1417-F1485 HydrophobicContact CB-CE2 3.56Å; F1417-F1485 HydrophobicContact CB-CZ 4.41Å; F1417-F1485 AromaticContact CD1-CE2 3.93Å; F1417-F1485 HydrophobicContact CD1-CE2 3.93Å; F1417-F1485 HydrophobicContact CD1-CZ 4.27Å; F1417-F1485 HydrophobicContact CD2-CE2 4.48Å; F1417-F1485 AromaticContact CG-CE2 3.77Å; F1417-F1485 HydrophobicContact CG-CE2 3.77Å; F1417-F1485 HydrophobicContact CG-CZ 4.19Å |
| 1418 | L | 86.2 | Confident | 80 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | -179.6 | -76.7 | 172.7 | 0 | 0 | 0 | 112.7 | I1414 L1415 I1416 N1481 K1484 F1485 | I1414-L1418 HydrophobicContact CG2-CD1 4.05Å; I1414-L1418 HydrophobicContact CG2-CG 4.35Å; I1414-L1418 WeakPolarHBondContact O-CG 3.45Å; I1414-L1418 PolarHBondContact O-N 2.89Å; L1415-L1418 HydrophobicContact CD2-CD1 4.5Å; L1415-L1418 PolarHBondContact O-N 3.25Å; L1415-L1418 VanDerWaalsContact O-N 3.16Å; I1416-L1418 PolarHBondContact O-N 3.31Å; L1418-N1481 HydrophobicContact CD1-CB 4.11Å; L1418-K1484 HydrophobicContact CD1-CB 4.29Å; L1418-K1484 HydrophobicContact CD2-CB 4.15Å; L1418-F1485 HydrophobicContact CD2-CB 4.02Å; L1418-F1485 HydrophobicContact CG-CB 4.33Å |
| 1419 | D | 84.8 | Confident | 78.8 | Confident | 82 Ų | 82 | 37.8 Ų | 37.8 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72 | -29.8 | 179.4 | -69.8 | -15.4 | 0 | 0 | 0 | 112.2 | Y1342 I1367 L1415 I1416 | Y1342-D1419 PolarHBondContact OH-OD2 3.44Å; I1367-D1419 HydrophobicContact CD1-CB 3.7Å; I1367-D1419 HydrophobicContact CG1-CB 4.03Å; I1367-D1419 HydrophobicContact CG2-CB 4.47Å; L1415-D1419 PolarHBondContact O-N 2.95Å; I1416-D1419 PolarHBondContact O-N 3.49Å |
| 1420 | L | 85.4 | Confident | 77.2 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.3 | -33.4 | 176.2 | -71.7 | 173.4 | 0 | 0 | 0 | 113.1 | I1367 L1370 L1371 M1395 L1399 I1416 F1417 W1449 | I1367-L1420 HydrophobicContact CG2-CD2 4.25Å; L1370-L1420 HydrophobicContact CB-CD2 3.93Å; L1371-L1420 HydrophobicContact CD2-CD2 3.96Å; L1371-L1420 HydrophobicContact CG-CD2 4.02Å; M1395-L1420 HydrophobicContact CE-CD1 4.23Å; M1395-L1420 HydrophobicContact SD-CD1 4.34Å; L1399-L1420 HydrophobicContact CD2-CD1 4.25Å; I1416-L1420 HydrophobicContact CG2-CD1 3.72Å; I1416-L1420 HydrophobicContact CG2-CG 4.29Å; I1416-L1420 WeakPolarHBondContact O-CB 3.43Å; I1416-L1420 WeakPolarHBondContact O-CG 3.43Å; I1416-L1420 PolarHBondContact O-N 3.47Å; F1417-L1420 PolarHBondContact O-N 2.65Å; L1420-W1449 HydrophobicContact CB-CH2 4.22Å; L1420-W1449 WeakPolarHBondContact O-CH2 3.47Å; L1420-W1449 WeakPolarHBondContact O-CZ2 3.46Å |
| 1421 | L | 84 | Confident | 75.1 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -74.3 | 138.7 | -174.9 | -74.3 | 168.6 | 0 | 0 | 0 | 112 | F1417 W1449 L1453 F1485 R1488 L1489 I1492 | F1417-L1421 WeakPolarHBondContact O-CB 3.44Å; F1417-L1421 WeakPolarHBondContact O-CD1 3.19Å; F1417-L1421 WeakPolarHBondContact O-CG 3.23Å; F1417-L1421 PolarHBondContact O-N 3.3Å; L1421-W1449 HydrophobicContact CD2-CE3 3.69Å; L1421-W1449 HydrophobicContact CD2-CZ3 3.79Å; L1421-L1453 HydrophobicContact CD2-CD1 3.65Å; L1421-L1453 HydrophobicContact CD2-CD2 4.25Å; L1421-L1453 HydrophobicContact CD2-CG 4.5Å; L1421-F1485 HydrophobicContact CD1-CD2 3.86Å; L1421-F1485 HydrophobicContact CD1-CE2 3.7Å; L1421-R1488 HydrophobicContact CB-CG 4.1Å; L1421-R1488 HydrophobicContact CD1-CG 4.25Å; L1421-R1488 PolarHBondContact O-NH1 2.93Å; L1421-R1488 VanDerWaalsContact O-NH1 3.11Å; L1421-L1489 HydrophobicContact CD1-CD2 4.34Å; L1421-I1492 HydrophobicContact CB-CD1 4.11Å; L1421-I1492 HydrophobicContact CD2-CD1 3.77Å; L1421-I1492 HydrophobicContact CG-CD1 4.41Å |
| 1422 | P | 78.9 | Confident | 73.4 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -59 | 145.2 | 177.2 | 23.3 | -32.5 | 0 | 0 | 0 | 111.4 | R1446 W1449 R1488 I1492 | P1422-R1446 HydrophobicContact CB-CG 4.42Å; P1422-R1446 HydrophobicContact CG-CG 4.36Å; P1422-W1449 HydrophobicContact CG-CB 4.44Å; P1422-W1449 HydrophobicContact CG-CD2 4.2Å; P1422-W1449 HydrophobicContact CG-CG 3.94Å; P1422-R1488 VanDerWaalsContact C-NH1 3.3Å; P1422-R1488 VanDerWaalsContact O-CD 3.23Å; P1422-R1488 WeakPolarHBondContact O-CD 3.41Å; P1422-R1488 PolarHBondContact O-NH1 2.97Å; P1422-I1492 HydrophobicContact CG-CD1 3.66Å; P1422-I1492 HydrophobicContact CG-CG1 4.14Å |
| 1423 | L | 78.7 | Confident | 71.9 | Confident | 111 Ų | 111 | 58.2 Ų | 58.2 | 58% | 0.581 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 150.3 | 179.2 | -70.2 | 170.9 | 0 | 0 | 0 | 112.2 | V1427 R1446 | L1423-V1427 HydrophobicContact CB-CG2 4.31Å; L1423-R1446 PolarHBondContact O-NH1 2.86Å |
| 1424 | P | 71 | Confident | 70.5 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 153.7 | -178.2 | 29.3 | -19.7 | 0 | 0 | 0 | 111 | R1488 D1491 | P1424-R1488 VanDerWaalsContact CD-CZ 3.46Å; P1424-R1488 VanDerWaalsContact CD-NE 3.28Å; P1424-D1491 WeakPolarHBondContact CA-OD2 3.4Å; P1424-D1491 WeakPolarHBondContact CB-OD2 3.27Å |
| 1425 | L | 66.6 | Low | 69.5 | Low | 57 Ų | 57 | 66.8 Ų | 66.8 | 30% | 0.298 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -82.1 | 148.3 | 178.9 | -70.5 | 166.3 | 0 | 0 | 0 | 111.6 | V1427 D1491 | L1425-V1427 HydrophobicContact CD2-CG2 4.28Å; L1425-D1491 PolarHBondContact N-OD2 3.36Å; L1425-D1491 VanDerWaalsContact N-OD2 3.08Å |
| 1426 | P | 60.9 | Low | 68.5 | Low | 69 Ų | 69 | 70 Ų | 70 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | S | Bend | cis | -78.3 | 136.3 | -4 | 30.8 | -33.1 | 0 | 0 | 0 | 112.6 | V1428 | P1426-V1428 PolarHBondContact O-N 3.47Š|
| 1427 | V | 60.2 | Low | 67.5 | Low | 47 Ų | 47 | 74.4 Ų | 74.4 | 29% | 0.285 | 44% | 0.444 | S | S | . | . | trans | -80.3 | 115.1 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 108 | L1423 L1425 T1429 F1434 | L1423-V1427 HydrophobicContact CB-CG2 4.31Å; L1425-V1427 HydrophobicContact CD2-CG2 4.28Å; V1427-T1429 HydrophobicContact CG1-CG2 4.42Å; V1427-F1434 HydrophobicContact CB-CE2 4.32Å; V1427-F1434 HydrophobicContact CB-CZ 4.36Å; V1427-F1434 HydrophobicContact CG1-CE2 4.43Å; V1427-F1434 HydrophobicContact CG1-CZ 4.03Å; V1427-F1434 WeakPolarHBondContact O-CE2 3.41Å | ||
| 1428 | V | 54.4 | Low | 66.8 | Low | 134 Ų | 134 | 77.2 Ų | 77.2 | 81% | 0.812 | 46% | 0.459 | S | S | * | . | trans | -94.5 | 115.2 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | P1426 | P1426-V1428 PolarHBondContact O-N 3.47Š| ||
| 1429 | T | 53.8 | Low | 66.1 | Low | 58 Ų | 58 | 80.5 Ų | 80.5 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | trans | -96.9 | 150.1 | 170.8 | 44.8 | 0 | 0 | 0 | 0 | 110.6 | V1427 Q1431 F1434 | V1427-T1429 HydrophobicContact CG1-CG2 4.42Å; T1429-Q1431 CarbonylContact C-O 3.59Å; T1429-Q1431 WeakPolarHBondContact CB-O 3.31Å; T1429-Q1431 PolarHBondContact O-N 3.31Å; T1429-Q1431 PolarHBondContact OG1-O 3.26Å; T1429-F1434 HydrophobicContact CG2-CE1 3.82Å; T1429-F1434 HydrophobicContact CG2-CE2 4.26Å; T1429-F1434 HydrophobicContact CG2-CZ 3.4Å; T1429-F1434 VanDerWaalsContact CG2-CZ 3.4Å | ||
| 1430 | V | 51.8 | Low | 65.5 | Low | 160 Ų | 160 | 79.6 Ų | 79.6 | 97% | 0.97 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -62.7 | -32.2 | 174.2 | -177.4 | 0 | 0 | 0 | 0 | 111 | ||
| 1431 | Q | 45.9 | Very low | 65 | Low | 164 Ų | 164 | 84.3 Ų | 84.3 | 77% | 0.766 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -79.2 | 128.8 | 169.5 | -72.6 | 167.5 | -18.9 | 0 | 0 | 108.5 | T1429 | T1429-Q1431 CarbonylContact C-O 3.59Å; T1429-Q1431 WeakPolarHBondContact CB-O 3.31Å; T1429-Q1431 PolarHBondContact O-N 3.31Å; T1429-Q1431 PolarHBondContact OG1-O 3.26Å |
| 1432 | G | 51.7 | Low | 64.5 | Low | 69 Ų | 69 | 86.6 Ų | 86.6 | 71% | 0.711 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -52.6 | 170.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1433 | S | 52.3 | Low | 64.4 | Low | 116 Ų | 116 | 88.4 Ų | 88.4 | 81% | 0.811 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -15.4 | 125 | -171.8 | 62.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1434 | F | 58.4 | Low | 64.2 | Low | 62 Ų | 62 | 86 Ų | 86 | 27% | 0.272 | 51% | 0.506 | S | S | . | . | trans | -53.6 | 142.9 | 170.7 | -67.3 | -78.3 | 0 | 0 | 0 | 111.6 | V1427 T1429 E1439 I1442 | V1427-F1434 HydrophobicContact CB-CE2 4.32Å; V1427-F1434 HydrophobicContact CB-CZ 4.36Å; V1427-F1434 HydrophobicContact CG1-CE2 4.43Å; V1427-F1434 HydrophobicContact CG1-CZ 4.03Å; V1427-F1434 WeakPolarHBondContact O-CE2 3.41Å; T1429-F1434 HydrophobicContact CG2-CE1 3.82Å; T1429-F1434 HydrophobicContact CG2-CE2 4.26Å; T1429-F1434 HydrophobicContact CG2-CZ 3.4Å; T1429-F1434 VanDerWaalsContact CG2-CZ 3.4Å; F1434-E1439 HydrophobicContact CB-CG 3.5Å; F1434-E1439 HydrophobicContact CG-CG 4.37Å; F1434-I1442 HydrophobicContact CD1-CD1 4.03Å; F1434-I1442 HydrophobicContact CE1-CD1 3.81Å; F1434-I1442 HydrophobicContact CZ-CD1 4.17Å | ||
| 1435 | D | 68.6 | Low | 64.5 | Low | 118 Ų | 118 | 84.7 Ų | 84.7 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | trans | -61.7 | 140.2 | 166.5 | -79.8 | -26.6 | 0 | 0 | 0 | 109.5 | N1437 D1438 E1439 | D1435-N1437 PolarHBondContact O-N 2.72Å; D1435-D1438 WeakPolarHBondContact O-CA 3.2Å; D1435-D1438 PolarHBondContact O-N 3.38Å; D1435-E1439 PolarHBondContact O-N 2.82Å | ||
| 1436 | S | 67.7 | Low | 65.2 | Low | 101 Ų | 101 | 82.6 Ų | 82.6 | 71% | 0.706 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -50.4 | -28.5 | 178.1 | 60 | 0 | 0 | 0 | 0 | 114.2 | S1440 | S1436-S1440 WeakPolarHBondContact O-CB 3.15Å; S1436-S1440 PolarHBondContact O-N 2.91Å; S1436-S1440 VanDerWaalsContact O-N 3.15Å |
| 1437 | N | 68.5 | Low | 66 | Low | 94 Ų | 94 | 83.6 Ų | 83.6 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 174.9 | -165.8 | 22.5 | 0 | 0 | 0 | 112 | D1435 S1440 K1441 | D1435-N1437 PolarHBondContact O-N 2.72Å; N1437-S1440 PolarHBondContact O-N 2.91Å; N1437-S1440 PolarHBondContact O-OG 3.46Å; N1437-K1441 WeakPolarHBondContact O-CG 3.26Å; N1437-K1441 PolarHBondContact O-N 2.99Å |
| 1438 | D | 73.7 | Confident | 66.8 | Low | 62 Ų | 62 | 83.7 Ų | 83.7 | 33% | 0.332 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.4 | -35.8 | 178.9 | -68.9 | -20.9 | 0 | 0 | 0 | 111.7 | D1435 S1440 K1441 I1442 | D1435-D1438 WeakPolarHBondContact O-CA 3.2Å; D1435-D1438 PolarHBondContact O-N 3.38Å; D1438-S1440 VanDerWaalsContact C-N 3.31Å; D1438-S1440 PolarHBondContact O-N 3.25Å; D1438-K1441 PolarHBondContact O-N 3.47Å; D1438-K1441 IonicContact OD1-NZ 3.32Å; D1438-K1441 PolarHBondContact OD1-NZ 3.3Å; D1438-I1442 WeakPolarHBondContact O-CB 3.41Å; D1438-I1442 VanDerWaalsContact O-CG1 3.26Å; D1438-I1442 WeakPolarHBondContact O-CG1 3.29Å; D1438-I1442 PolarHBondContact O-N 3.29Å |
| 1439 | E | 71.2 | Confident | 68.1 | Low | 88 Ų | 88 | 78.3 Ų | 78.3 | 41% | 0.411 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 168.6 | -66.2 | -171.1 | 154.3 | 0 | 0 | 111.6 | F1434 D1435 K1441 I1442 N1443 | F1434-E1439 HydrophobicContact CB-CG 3.5Å; F1434-E1439 HydrophobicContact CG-CG 4.37Å; D1435-E1439 PolarHBondContact O-N 2.82Å; E1439-K1441 VanDerWaalsContact C-N 3.35Å; E1439-K1441 PolarHBondContact O-N 2.74Å; E1439-I1442 PolarHBondContact O-N 2.91Å; E1439-N1443 WeakPolarHBondContact O-CB 3.42Å; E1439-N1443 PolarHBondContact O-N 3.15Å; E1439-N1443 PolarHBondContact O-ND2 3.34Å |
| 1440 | S | 72.9 | Confident | 69.4 | Low | 62 Ų | 62 | 76.5 Ų | 76.5 | 43% | 0.434 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 177.9 | 80.5 | 0 | 0 | 0 | 0 | 112.4 | S1436 N1437 D1438 S1444 | S1436-S1440 WeakPolarHBondContact O-CB 3.15Å; S1436-S1440 PolarHBondContact O-N 2.91Å; S1436-S1440 VanDerWaalsContact O-N 3.15Å; N1437-S1440 PolarHBondContact O-N 2.91Å; N1437-S1440 PolarHBondContact O-OG 3.46Å; D1438-S1440 VanDerWaalsContact C-N 3.31Å; D1438-S1440 PolarHBondContact O-N 3.25Å; S1440-S1444 VanDerWaalsContact O-CB 3.29Å; S1440-S1444 WeakPolarHBondContact O-CB 3.38Å; S1440-S1444 PolarHBondContact O-N 3.32Å; S1440-S1444 PolarHBondContact O-OG 3.05Å |
| 1441 | K | 74.1 | Confident | 70.7 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 174.7 | -71.1 | 174.1 | -159.4 | 154.5 | 0 | 111.3 | N1437 D1438 E1439 N1443 S1444 S1445 | N1437-K1441 WeakPolarHBondContact O-CG 3.26Å; N1437-K1441 PolarHBondContact O-N 2.99Å; D1438-K1441 PolarHBondContact O-N 3.47Å; D1438-K1441 IonicContact OD1-NZ 3.32Å; D1438-K1441 PolarHBondContact OD1-NZ 3.3Å; E1439-K1441 VanDerWaalsContact C-N 3.35Å; E1439-K1441 PolarHBondContact O-N 2.74Å; K1441-N1443 PolarHBondContact O-N 2.68Å; K1441-S1444 WeakPolarHBondContact CA-OG 3.1Å; K1441-S1444 PolarHBondContact O-N 2.98Å; K1441-S1444 PolarHBondContact O-OG 2.82Å; K1441-S1445 WeakPolarHBondContact O-CB 3.42Å; K1441-S1445 PolarHBondContact O-N 3.19Å |
| 1442 | I | 73.3 | Confident | 72.4 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 29% | 0.287 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 177.5 | -68.5 | 165.2 | 0 | 0 | 0 | 109.6 | F1434 D1438 E1439 S1444 S1445 R1446 | F1434-I1442 HydrophobicContact CD1-CD1 4.03Å; F1434-I1442 HydrophobicContact CE1-CD1 3.81Å; F1434-I1442 HydrophobicContact CZ-CD1 4.17Å; D1438-I1442 WeakPolarHBondContact O-CB 3.41Å; D1438-I1442 VanDerWaalsContact O-CG1 3.26Å; D1438-I1442 WeakPolarHBondContact O-CG1 3.29Å; D1438-I1442 PolarHBondContact O-N 3.29Å; E1439-I1442 PolarHBondContact O-N 2.91Å; I1442-S1444 PolarHBondContact O-N 3.21Å; I1442-S1445 PolarHBondContact O-N 2.7Å; I1442-S1445 PolarHBondContact O-OG 3.22Å; I1442-R1446 WeakPolarHBondContact O-CG 3.5Å; I1442-R1446 PolarHBondContact O-N 2.78Å |
| 1443 | N | 76.8 | Confident | 73.9 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 178 | -74 | -32.8 | 0 | 0 | 0 | 112.3 | E1439 K1441 S1445 R1446 D1447 | E1439-N1443 WeakPolarHBondContact O-CB 3.42Å; E1439-N1443 PolarHBondContact O-N 3.15Å; E1439-N1443 PolarHBondContact O-ND2 3.34Å; K1441-N1443 PolarHBondContact O-N 2.68Å; N1443-S1445 VanDerWaalsContact C-N 3.28Å; N1443-S1445 PolarHBondContact O-N 3.31Å; N1443-R1446 PolarHBondContact O-N 3.39Å; N1443-R1446 VanDerWaalsContact O-N 3.14Å; N1443-D1447 PolarHBondContact O-N 3.49Å |
| 1444 | S | 74.8 | Confident | 75.4 | Confident | 59 Ų | 59 | 58 Ų | 58 | 41% | 0.413 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 175.8 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | S1440 K1441 I1442 D1447 I1448 | S1440-S1444 VanDerWaalsContact O-CB 3.29Å; S1440-S1444 WeakPolarHBondContact O-CB 3.38Å; S1440-S1444 PolarHBondContact O-N 3.32Å; S1440-S1444 PolarHBondContact O-OG 3.05Å; K1441-S1444 WeakPolarHBondContact CA-OG 3.1Å; K1441-S1444 PolarHBondContact O-N 2.98Å; K1441-S1444 PolarHBondContact O-OG 2.82Å; I1442-S1444 PolarHBondContact O-N 3.21Å; S1444-D1447 PolarHBondContact O-N 3.01Å; S1444-I1448 WeakPolarHBondContact O-CD1 3.47Å; S1444-I1448 VanDerWaalsContact O-CG1 3.23Å; S1444-I1448 WeakPolarHBondContact O-CG1 3.44Å; S1444-I1448 PolarHBondContact O-N 3.24Å; S1444-I1448 VanDerWaalsContact O-N 3.11Å |
| 1445 | S | 76.8 | Confident | 76.5 | Confident | 30 Ų | 30 | 56.3 Ų | 56.3 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 175.5 | 77.4 | 0 | 0 | 0 | 0 | 111.6 | K1441 I1442 N1443 I1448 W1449 | K1441-S1445 WeakPolarHBondContact O-CB 3.42Å; K1441-S1445 PolarHBondContact O-N 3.19Å; I1442-S1445 PolarHBondContact O-N 2.7Å; I1442-S1445 PolarHBondContact O-OG 3.22Å; N1443-S1445 VanDerWaalsContact C-N 3.28Å; N1443-S1445 PolarHBondContact O-N 3.31Å; S1445-I1448 PolarHBondContact O-N 2.98Å; S1445-W1449 PolarHBondContact O-N 2.8Å |
| 1446 | R | 81.1 | Confident | 77.3 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 176.7 | -70.9 | 178.3 | 67 | 88.5 | -1.2 | 112.4 | P1422 L1423 I1442 N1443 I1448 W1449 A1450 D1491 | P1422-R1446 HydrophobicContact CB-CG 4.42Å; P1422-R1446 HydrophobicContact CG-CG 4.36Å; L1423-R1446 PolarHBondContact O-NH1 2.86Å; I1442-R1446 WeakPolarHBondContact O-CG 3.5Å; I1442-R1446 PolarHBondContact O-N 2.78Å; N1443-R1446 PolarHBondContact O-N 3.39Å; N1443-R1446 VanDerWaalsContact O-N 3.14Å; R1446-I1448 VanDerWaalsContact C-N 3.3Å; R1446-I1448 PolarHBondContact O-N 3.12Å; R1446-W1449 WeakPolarHBondContact O-CB 3.29Å; R1446-W1449 PolarHBondContact O-N 3.28Å; R1446-A1450 WeakPolarHBondContact O-CB 3.37Å; R1446-A1450 PolarHBondContact O-N 3.34Å; R1446-D1491 IonicContact CZ-OD2 2.68Å; R1446-D1491 IonicContact NH1-OD2 2.94Å; R1446-D1491 PolarHBondContact NH2-O 2.89Å; R1446-D1491 IonicContact NH2-OD1 2.83Å; R1446-D1491 IonicContact NH2-OD2 3.45Å; R1446-D1491 PolarHBondContact NH2-OD2 3.48Å |
| 1447 | D | 77.7 | Confident | 78.2 | Confident | 91 Ų | 91 | 47 Ų | 47 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 176.2 | -70.7 | -24.5 | 0 | 0 | 0 | 111.3 | N1443 S1444 A1450 A1451 | N1443-D1447 PolarHBondContact O-N 3.49Å; S1444-D1447 PolarHBondContact O-N 3.01Å; D1447-A1450 PolarHBondContact O-N 3.33Å; D1447-A1451 PolarHBondContact O-N 2.87Å; D1447-A1451 VanDerWaalsContact O-N 3.09Å |
| 1448 | I | 76.7 | Confident | 78.9 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -47.1 | 173.5 | -63.3 | 163.8 | 0 | 0 | 0 | 110.2 | L1378 W1392 S1444 S1445 R1446 A1450 A1451 H1452 | L1378-I1448 HydrophobicContact CD1-CD1 3.7Å; L1378-I1448 HydrophobicContact CG-CD1 4.37Å; W1392-I1448 HydrophobicContact CH2-CG2 4.12Å; W1392-I1448 HydrophobicContact CZ3-CG2 3.53Å; S1444-I1448 WeakPolarHBondContact O-CD1 3.47Å; S1444-I1448 VanDerWaalsContact O-CG1 3.23Å; S1444-I1448 WeakPolarHBondContact O-CG1 3.44Å; S1444-I1448 PolarHBondContact O-N 3.24Å; S1444-I1448 VanDerWaalsContact O-N 3.11Å; S1445-I1448 PolarHBondContact O-N 2.98Å; R1446-I1448 VanDerWaalsContact C-N 3.3Å; R1446-I1448 PolarHBondContact O-N 3.12Å; I1448-A1450 VanDerWaalsContact C-N 3.27Å; I1448-A1450 PolarHBondContact O-N 2.95Å; I1448-A1451 PolarHBondContact O-N 2.87Å; I1448-A1451 VanDerWaalsContact O-N 3.1Å; I1448-H1452 PolarHBondContact O-CD2 3.13Å; I1448-H1452 PolarHBondContact O-N 2.67Å; I1448-H1452 VanDerWaalsContact O-N 3.13Å |
| 1449 | W | 82.3 | Confident | 79.5 | Confident | 22 Ų | 22 | 46 Ų | 46 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -51.9 | -46.8 | 173 | -89.3 | 95.7 | 0 | 0 | 0 | 111.5 | T1374 W1392 L1420 L1421 P1422 S1445 R1446 A1451 H1452 L1453 I1492 | T1374-W1449 HydrophobicContact CG2-CZ2 4.42Å; W1392-W1449 AromaticContact CE2-CZ3 3.97Å; W1392-W1449 HydrophobicContact CH2-CB 4.36Å; W1392-W1449 AromaticContact CH2-CD1 3.83Å; W1392-W1449 AromaticContact CH2-CD2 3.77Å; W1392-W1449 HydrophobicContact CH2-CD2 3.77Å; W1392-W1449 AromaticContact CH2-CE2 3.8Å; W1392-W1449 HydrophobicContact CH2-CE3 4.32Å; W1392-W1449 AromaticContact CH2-CG 3.75Å; W1392-W1449 HydrophobicContact CH2-CG 3.75Å; W1392-W1449 HydrophobicContact CH2-CZ2 4.34Å; W1392-W1449 AromaticContact CH2-NE1 3.85Å; W1392-W1449 HydrophobicContact CZ2-CB 4.48Å; W1392-W1449 AromaticContact CZ2-CD2 3.24Å; W1392-W1449 HydrophobicContact CZ2-CD2 3.24Å; W1392-W1449 AromaticContact CZ2-CE2 3.3Å; W1392-W1449 AromaticContact CZ2-CE3 3.4Å; W1392-W1449 HydrophobicContact CZ2-CE3 3.4Å; W1392-W1449 VanDerWaalsContact CZ2-CE3 3.4Å; W1392-W1449 AromaticContact CZ2-CG 3.73Å; W1392-W1449 HydrophobicContact CZ2-CG 3.73Å; W1392-W1449 AromaticContact CZ2-CH2 3.66Å; W1392-W1449 HydrophobicContact CZ2-CH2 3.66Å; W1392-W1449 AromaticContact CZ2-CZ2 3.53Å; W1392-W1449 HydrophobicContact CZ2-CZ2 3.53Å; W1392-W1449 AromaticContact CZ2-CZ3 3.61Å; W1392-W1449 HydrophobicContact CZ2-CZ3 3.61Å; W1392-W1449 AromaticContact CZ2-NE1 3.86Å; W1392-W1449 AromaticContact NE1-CH2 3.76Å; W1392-W1449 AromaticContact NE1-CZ3 3.68Å; L1420-W1449 HydrophobicContact CB-CH2 4.22Å; L1420-W1449 WeakPolarHBondContact O-CH2 3.47Å; L1420-W1449 WeakPolarHBondContact O-CZ2 3.46Å; L1421-W1449 HydrophobicContact CD2-CE3 3.69Å; L1421-W1449 HydrophobicContact CD2-CZ3 3.79Å; P1422-W1449 HydrophobicContact CG-CB 4.44Å; P1422-W1449 HydrophobicContact CG-CD2 4.2Å; P1422-W1449 HydrophobicContact CG-CG 3.94Å; S1445-W1449 PolarHBondContact O-N 2.8Å; R1446-W1449 WeakPolarHBondContact O-CB 3.29Å; R1446-W1449 PolarHBondContact O-N 3.28Å; W1449-A1451 VanDerWaalsContact C-N 3.34Å; W1449-A1451 PolarHBondContact O-N 3.43Å; W1449-H1452 PolarHBondContact O-N 3.48Å; W1449-L1453 HydrophobicContact CE3-CD1 4.35Å; W1449-L1453 WeakPolarHBondContact O-CB 3.38Å; W1449-L1453 VanDerWaalsContact O-CG 3.28Å; W1449-L1453 WeakPolarHBondContact O-CG 3.49Å; W1449-L1453 PolarHBondContact O-N 2.92Å; W1449-I1492 HydrophobicContact CB-CG2 4.06Å |
| 1450 | A | 80.5 | Confident | 80.3 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1446 D1447 I1448 L1454 I1492 | R1446-A1450 WeakPolarHBondContact O-CB 3.37Å; R1446-A1450 PolarHBondContact O-N 3.34Å; D1447-A1450 PolarHBondContact O-N 3.33Å; I1448-A1450 VanDerWaalsContact C-N 3.27Å; I1448-A1450 PolarHBondContact O-N 2.95Å; A1450-L1454 VanDerWaalsContact O-CB 3.3Å; A1450-L1454 WeakPolarHBondContact O-CB 3.3Å; A1450-L1454 PolarHBondContact O-N 3.21Å; A1450-I1492 HydrophobicContact CB-CG2 4.13Å |
| 1451 | A | 80.4 | Confident | 80.9 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1447 I1448 W1449 A1455 | D1447-A1451 PolarHBondContact O-N 2.87Å; D1447-A1451 VanDerWaalsContact O-N 3.09Å; I1448-A1451 PolarHBondContact O-N 2.87Å; I1448-A1451 VanDerWaalsContact O-N 3.1Å; W1449-A1451 VanDerWaalsContact C-N 3.34Å; W1449-A1451 PolarHBondContact O-N 3.43Å; A1451-A1455 PolarHBondContact O-N 3.11Å |
| 1452 | H | 80.6 | Confident | 81.4 | Confident | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.7 | -37.2 | 178.4 | -71.2 | -80.1 | 0 | 0 | 0 | 112.8 | S1390 W1392 V1393 I1448 W1449 L1454 A1455 L1456 | S1390-H1452 PolarHBondContact OG-CE1 3.37Å; S1390-H1452 PolarHBondContact OG-ND1 3.02Å; W1392-H1452 HydrophobicContact CD2-CB 4.21Å; W1392-H1452 AromaticContact CD2-CD2 3.91Å; W1392-H1452 AromaticContact CD2-CG 3.92Å; W1392-H1452 HydrophobicContact CE3-CB 4.35Å; W1392-H1452 AromaticContact CE3-CD2 3.19Å; W1392-H1452 AromaticContact CE3-CE1 3.96Å; W1392-H1452 AromaticContact CE3-CG 3.66Å; W1392-H1452 AromaticContact CE3-NE2 3.45Å; W1392-H1452 AromaticContact CZ3-CD2 3.33Å; W1392-H1452 WeakPolarHBondContact CZ3-CD2 3.43Å; W1392-H1452 AromaticContact CZ3-NE2 3.76Å; V1393-H1452 HydrophobicContact CG2-CB 4.1Å; I1448-H1452 PolarHBondContact O-CD2 3.13Å; I1448-H1452 PolarHBondContact O-N 2.67Å; I1448-H1452 VanDerWaalsContact O-N 3.13Å; W1449-H1452 PolarHBondContact O-N 3.48Å; H1452-L1454 VanDerWaalsContact C-N 3.34Å; H1452-A1455 WeakPolarHBondContact O-CB 3.28Å; H1452-A1455 PolarHBondContact O-N 3.19Å; H1452-L1456 PolarHBondContact O-N 3.35Å |
| 1453 | L | 84.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -37 | 174.7 | -70.9 | 169.4 | 0 | 0 | 0 | 111.9 | L1396 L1421 W1449 A1455 L1456 S1457 L1460 L1489 I1492 | L1396-L1453 HydrophobicContact CD1-CD2 4.25Å; L1421-L1453 HydrophobicContact CD2-CD1 3.65Å; L1421-L1453 HydrophobicContact CD2-CD2 4.25Å; L1421-L1453 HydrophobicContact CD2-CG 4.5Å; W1449-L1453 HydrophobicContact CE3-CD1 4.35Å; W1449-L1453 WeakPolarHBondContact O-CB 3.38Å; W1449-L1453 VanDerWaalsContact O-CG 3.28Å; W1449-L1453 WeakPolarHBondContact O-CG 3.49Å; W1449-L1453 PolarHBondContact O-N 2.92Å; L1453-A1455 VanDerWaalsContact C-N 3.28Å; L1453-A1455 PolarHBondContact O-N 3.46Å; L1453-L1456 CarbonylContact O-C 3.59Å; L1453-L1456 PolarHBondContact O-N 3.09Å; L1453-L1456 VanDerWaalsContact O-N 3.09Å; L1453-S1457 PolarHBondContact O-N 3.3Å; L1453-L1460 HydrophobicContact CD2-CD1 4.15Å; L1453-L1489 HydrophobicContact CD1-CD2 3.97Å; L1453-L1489 HydrophobicContact CD2-CD2 4.33Å; L1453-I1492 HydrophobicContact CD1-CG2 4Å |
| 1454 | L | 82.3 | Confident | 82.7 | Confident | 72 Ų | 72 | 30.3 Ų | 30.3 | 38% | 0.377 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -31.9 | 175.3 | -169.7 | 67.6 | 0 | 0 | 0 | 112.1 | A1450 H1452 L1456 S1457 P1496 F1497 | A1450-L1454 VanDerWaalsContact O-CB 3.3Å; A1450-L1454 WeakPolarHBondContact O-CB 3.3Å; A1450-L1454 PolarHBondContact O-N 3.21Å; H1452-L1454 VanDerWaalsContact C-N 3.34Å; L1454-L1456 PolarHBondContact O-N 3.3Å; L1454-S1457 VanDerWaalsContact O-CB 3.28Å; L1454-S1457 WeakPolarHBondContact O-CB 3.46Å; L1454-S1457 PolarHBondContact O-N 3.1Å; L1454-S1457 PolarHBondContact O-OG 3.31Å; L1454-P1496 HydrophobicContact CD1-CB 4.11Å; L1454-P1496 HydrophobicContact CD2-CB 4.4Å; L1454-F1497 HydrophobicContact CD1-CB 4.38Å |
| 1455 | A | 83 | Confident | 83.1 | Confident | 26 Ų | 26 | 30.3 Ų | 30.3 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.7 | -20.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1387 N1388 V1393 A1451 H1452 L1453 | I1387-A1455 HydrophobicContact CG2-CB 3.74Å; N1388-A1455 VanDerWaalsContact OD1-CB 3.31Å; N1388-A1455 WeakPolarHBondContact OD1-CB 3.39Å; V1393-A1455 HydrophobicContact CG2-CB 4.28Å; A1451-A1455 PolarHBondContact O-N 3.11Å; H1452-A1455 WeakPolarHBondContact O-CB 3.28Å; H1452-A1455 PolarHBondContact O-N 3.19Å; L1453-A1455 VanDerWaalsContact C-N 3.28Å; L1453-A1455 PolarHBondContact O-N 3.46Å |
| 1456 | L | 85.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 14.8 | 178.7 | -72.3 | 157.2 | 0 | 0 | 0 | 112.8 | V1393 L1396 K1397 H1452 L1453 L1454 S1458 E1459 L1460 | V1393-L1456 HydrophobicContact CG1-CD1 4.38Å; V1393-L1456 HydrophobicContact CG1-CD2 3.79Å; V1393-L1456 HydrophobicContact CG1-CG 3.94Å; V1393-L1456 HydrophobicContact CG2-CD1 4.3Å; V1393-L1456 HydrophobicContact CG2-CG 4.44Å; L1396-L1456 HydrophobicContact CB-CD1 3.39Å; L1396-L1456 HydrophobicContact CB-CD2 4.47Å; L1396-L1456 HydrophobicContact CD1-CD1 3.39Å; L1396-L1456 HydrophobicContact CG-CD1 4.03Å; K1397-L1456 HydrophobicContact CB-CD2 4.39Å; K1397-L1456 HydrophobicContact CD-CD2 4.25Å; K1397-L1456 HydrophobicContact CG-CD2 3.3Å; H1452-L1456 PolarHBondContact O-N 3.35Å; L1453-L1456 CarbonylContact O-C 3.59Å; L1453-L1456 PolarHBondContact O-N 3.09Å; L1453-L1456 VanDerWaalsContact O-N 3.09Å; L1454-L1456 PolarHBondContact O-N 3.3Å; L1456-S1458 VanDerWaalsContact C-N 3.31Å; L1456-S1458 PolarHBondContact O-N 3.04Å; L1456-E1459 PolarHBondContact O-N 3.11Å; L1456-L1460 HydrophobicContact CB-CD1 4.22Å; L1456-L1460 HydrophobicContact CB-CG 4.29Å; L1456-L1460 WeakPolarHBondContact O-CG 3.44Å; L1456-L1460 PolarHBondContact O-N 3.03Å |
| 1457 | S | 85 | Confident | 83.5 | Confident | 22 Ų | 22 | 30.6 Ų | 30.6 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | -166.8 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | L1453 L1454 I1461 L1500 | L1453-S1457 PolarHBondContact O-N 3.3Å; L1454-S1457 VanDerWaalsContact O-CB 3.28Å; L1454-S1457 WeakPolarHBondContact O-CB 3.46Å; L1454-S1457 PolarHBondContact O-N 3.1Å; L1454-S1457 PolarHBondContact O-OG 3.31Å; S1457-I1461 VanDerWaalsContact O-CB 3.32Å; S1457-I1461 WeakPolarHBondContact O-CB 3.36Å; S1457-I1461 VanDerWaalsContact O-CD1 3.23Å; S1457-I1461 WeakPolarHBondContact O-CD1 3.28Å; S1457-I1461 WeakPolarHBondContact O-CG1 3.23Å; S1457-I1461 PolarHBondContact O-N 3.38Å; S1457-L1500 VanDerWaalsContact CB-CD2 3.45Å; S1457-L1500 WeakPolarHBondContact OG-CD2 3.45Å |
| 1458 | S | 84.3 | Confident | 83.5 | Confident | 81 Ų | 81 | 26.3 Ų | 26.3 | 57% | 0.566 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -62.1 | -45.1 | 178.1 | 32.8 | 0 | 0 | 0 | 0 | 112.7 | L1456 I1461 G1462 | L1456-S1458 VanDerWaalsContact C-N 3.31Å; L1456-S1458 PolarHBondContact O-N 3.04Å; S1458-I1461 PolarHBondContact O-N 3.4Å; S1458-G1462 PolarHBondContact O-N 2.92Å |
| 1459 | E | 86 | Confident | 83.5 | Confident | 53 Ų | 53 | 26.6 Ų | 26.6 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.8 | -41.8 | -177.8 | -64.2 | 89.7 | 151.6 | 0 | 0 | 111 | K1397 V1400 L1456 G1462 M1463 | K1397-E1459 WeakPolarHBondContact CE-OE1 3.35Å; K1397-E1459 IonicContact NZ-OE1 3.74Å; K1397-E1459 PolarHBondContact NZ-OE1 3.42Å; V1400-E1459 HydrophobicContact CG1-CB 4.24Å; L1456-E1459 PolarHBondContact O-N 3.11Å; E1459-G1462 PolarHBondContact O-N 3.16Å; E1459-M1463 WeakPolarHBondContact O-CB 3.32Å; E1459-M1463 PolarHBondContact O-N 3.4Å |
| 1460 | L | 87.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 175.5 | -71.1 | 176.6 | 0 | 0 | 0 | 112.2 | V1400 F1417 L1453 L1456 M1463 I1464 F1485 F1497 | V1400-L1460 HydrophobicContact CG2-CD2 4.06Å; F1417-L1460 HydrophobicContact CE1-CD2 4.25Å; F1417-L1460 HydrophobicContact CZ-CD2 4.22Å; L1453-L1460 HydrophobicContact CD2-CD1 4.15Å; L1456-L1460 HydrophobicContact CB-CD1 4.22Å; L1456-L1460 HydrophobicContact CB-CG 4.29Å; L1456-L1460 WeakPolarHBondContact O-CG 3.44Å; L1456-L1460 PolarHBondContact O-N 3.03Å; L1460-M1463 HydrophobicContact CD2-CE 3.85Å; L1460-M1463 PolarHBondContact O-N 3.24Å; L1460-I1464 WeakPolarHBondContact O-CB 3.36Å; L1460-I1464 VanDerWaalsContact O-CG1 3.23Å; L1460-I1464 WeakPolarHBondContact O-CG1 3.34Å; L1460-I1464 PolarHBondContact O-N 3.29Å; L1460-F1485 HydrophobicContact CD2-CZ 4.11Å; L1460-F1497 HydrophobicContact CB-CE2 4.14Å; L1460-F1497 HydrophobicContact CB-CZ 4.14Å; L1460-F1497 HydrophobicContact CD1-CE2 4.19Å; L1460-F1497 HydrophobicContact CD1-CZ 4.43Å |
| 1461 | I | 86.8 | Confident | 82.8 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 175.6 | -72 | 163.6 | 0 | 0 | 0 | 110 | S1457 S1458 M1463 I1464 Q1465 L1500 L1501 A1504 | S1457-I1461 VanDerWaalsContact O-CB 3.32Å; S1457-I1461 WeakPolarHBondContact O-CB 3.36Å; S1457-I1461 VanDerWaalsContact O-CD1 3.23Å; S1457-I1461 WeakPolarHBondContact O-CD1 3.28Å; S1457-I1461 WeakPolarHBondContact O-CG1 3.23Å; S1457-I1461 PolarHBondContact O-N 3.38Å; S1458-I1461 PolarHBondContact O-N 3.4Å; I1461-M1463 VanDerWaalsContact C-N 3.31Å; I1461-M1463 PolarHBondContact O-N 3.09Å; I1461-I1464 PolarHBondContact O-N 3.29Å; I1461-Q1465 HydrophobicContact CG2-CG 4.36Å; I1461-Q1465 WeakPolarHBondContact O-CB 3.23Å; I1461-Q1465 VanDerWaalsContact O-CG 3.27Å; I1461-Q1465 WeakPolarHBondContact O-CG 3.07Å; I1461-Q1465 PolarHBondContact O-N 2.68Å; I1461-L1500 HydrophobicContact CD1-CB 4.47Å; I1461-L1500 HydrophobicContact CD1-CD2 3.6Å; I1461-L1500 HydrophobicContact CD1-CG 3.61Å; I1461-L1501 HydrophobicContact CB-CD1 4.43Å; I1461-L1501 HydrophobicContact CG1-CD1 3.89Å; I1461-L1501 HydrophobicContact CG2-CD1 4.33Å; I1461-A1504 HydrophobicContact CD1-CB 4.39Å; I1461-A1504 HydrophobicContact CG2-CB 3.66Å |
| 1462 | G | 84.7 | Confident | 82.4 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1458 E1459 Q1465 L1466 | S1458-G1462 PolarHBondContact O-N 2.92Å; E1459-G1462 PolarHBondContact O-N 3.16Å; G1462-Q1465 PolarHBondContact O-N 2.91Å; G1462-L1466 PolarHBondContact O-N 3.39Å; G1462-L1466 VanDerWaalsContact O-N 3.11Å |
| 1463 | M | 88.8 | Confident | 82 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.5 | -172.6 | -174.3 | 69.4 | 0 | 0 | 112.2 | V1400 T1403 I1404 F1417 E1459 L1460 I1461 Q1465 L1466 L1467 F1485 | V1400-M1463 HydrophobicContact CG1-CB 4.13Å; V1400-M1463 HydrophobicContact CG1-CG 4.5Å; V1400-M1463 HydrophobicContact CG1-SD 4.32Å; V1400-M1463 HydrophobicContact CG2-SD 4.23Å; T1403-M1463 HydrophobicContact CG2-CG 4.37Å; T1403-M1463 HydrophobicContact CG2-SD 3.97Å; I1404-M1463 HydrophobicContact CD1-CB 4.05Å; I1404-M1463 HydrophobicContact CD1-CG 4.34Å; I1404-M1463 HydrophobicContact CG1-CB 4.42Å; I1404-M1463 HydrophobicContact CG1-CG 4.19Å; F1417-M1463 HydrophobicContact CD2-CE 4.39Å; F1417-M1463 HydrophobicContact CE2-CE 4.06Å; F1417-M1463 HydrophobicContact CE2-SD 3.85Å; E1459-M1463 WeakPolarHBondContact O-CB 3.32Å; E1459-M1463 PolarHBondContact O-N 3.4Å; L1460-M1463 HydrophobicContact CD2-CE 3.85Å; L1460-M1463 PolarHBondContact O-N 3.24Å; I1461-M1463 VanDerWaalsContact C-N 3.31Å; I1461-M1463 PolarHBondContact O-N 3.09Å; M1463-Q1465 VanDerWaalsContact C-N 3.3Å; M1463-Q1465 PolarHBondContact O-N 3.47Å; M1463-L1466 PolarHBondContact O-N 3.15Å; M1463-L1467 HydrophobicContact CG-CD1 3.75Å; M1463-L1467 HydrophobicContact CG-CG 4.47Å; M1463-L1467 VanDerWaalsContact O-CG 3.31Å; M1463-L1467 WeakPolarHBondContact O-CG 3.44Å; M1463-L1467 PolarHBondContact O-N 3.06Å; M1463-L1467 HydrophobicContact SD-CD1 4.43Å; M1463-F1485 HydrophobicContact CE-CE1 3.54Å; M1463-F1485 HydrophobicContact CE-CZ 3.78Å |
| 1464 | I | 86.7 | Confident | 81.1 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -37.3 | 179.1 | -66.1 | 164.8 | 0 | 0 | 0 | 110.4 | L1460 I1461 L1466 L1467 S1468 F1485 V1486 L1489 F1497 L1501 M1651 | L1460-I1464 WeakPolarHBondContact O-CB 3.36Å; L1460-I1464 VanDerWaalsContact O-CG1 3.23Å; L1460-I1464 WeakPolarHBondContact O-CG1 3.34Å; L1460-I1464 PolarHBondContact O-N 3.29Å; I1461-I1464 PolarHBondContact O-N 3.29Å; I1464-L1466 VanDerWaalsContact C-N 3.35Å; I1464-L1466 PolarHBondContact O-N 3.43Å; I1464-L1467 PolarHBondContact O-N 2.92Å; I1464-S1468 VanDerWaalsContact O-CB 3.25Å; I1464-S1468 WeakPolarHBondContact O-CB 3.4Å; I1464-S1468 PolarHBondContact O-N 3.29Å; I1464-S1468 PolarHBondContact O-OG 3.33Å; I1464-F1485 HydrophobicContact CD1-CE1 4.26Å; I1464-F1485 HydrophobicContact CG1-CE1 4.25Å; I1464-V1486 HydrophobicContact CD1-CG2 4.46Å; I1464-V1486 HydrophobicContact CG2-CG2 4.43Å; I1464-L1489 HydrophobicContact CD1-CD1 4.12Å; I1464-F1497 HydrophobicContact CD1-CZ 4.26Å; I1464-L1501 HydrophobicContact CD1-CD1 4.38Å; I1464-L1501 HydrophobicContact CD1-CD2 4Å; I1464-L1501 HydrophobicContact CG2-CD1 4.33Å; I1464-M1651 HydrophobicContact CG2-CE 3.97Å |
| 1465 | Q | 84.1 | Confident | 80.6 | Confident | 59 Ų | 59 | 41.9 Ų | 41.9 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 173.9 | -74.7 | 175.9 | -14 | 0 | 0 | 113.5 | I1461 G1462 M1463 S1468 M1651 | I1461-Q1465 HydrophobicContact CG2-CG 4.36Å; I1461-Q1465 WeakPolarHBondContact O-CB 3.23Å; I1461-Q1465 VanDerWaalsContact O-CG 3.27Å; I1461-Q1465 WeakPolarHBondContact O-CG 3.07Å; I1461-Q1465 PolarHBondContact O-N 2.68Å; G1462-Q1465 PolarHBondContact O-N 2.91Å; M1463-Q1465 VanDerWaalsContact C-N 3.3Å; M1463-Q1465 PolarHBondContact O-N 3.47Å; Q1465-S1468 PolarHBondContact O-OG 3.22Å; Q1465-M1651 HydrophobicContact CB-CE 3.79Å; Q1465-M1651 HydrophobicContact CG-CE 3.25Å; Q1465-M1651 HydrophobicContact CG-SD 4.27Å |
| 1466 | L | 82.8 | Confident | 80.6 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.4 | -44.8 | 175.9 | -175.1 | 67.1 | 0 | 0 | 0 | 111.6 | I1404 F1410 G1462 M1463 I1464 | I1404-L1466 HydrophobicContact CB-CD2 4.38Å; I1404-L1466 HydrophobicContact CG1-CD2 4.23Å; I1404-L1466 HydrophobicContact CG2-CD2 3.77Å; F1410-L1466 HydrophobicContact CE1-CD2 4.3Å; F1410-L1466 HydrophobicContact CZ-CD2 4.15Å; G1462-L1466 PolarHBondContact O-N 3.39Å; G1462-L1466 VanDerWaalsContact O-N 3.11Å; M1463-L1466 PolarHBondContact O-N 3.15Å; I1464-L1466 VanDerWaalsContact C-N 3.35Å; I1464-L1466 PolarHBondContact O-N 3.43Å |
| 1467 | L | 83.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.9 | -23.8 | -174.6 | -65.3 | 170.8 | 0 | 0 | 0 | 113.5 | T1403 F1410 I1414 M1463 I1464 A1469 T1470 L1482 | T1403-L1467 HydrophobicContact CG2-CD1 4.36Å; F1410-L1467 HydrophobicContact CB-CD2 3.7Å; F1410-L1467 HydrophobicContact CD1-CD2 3.85Å; F1410-L1467 HydrophobicContact CD2-CD2 3.72Å; F1410-L1467 HydrophobicContact CE1-CD2 4.38Å; F1410-L1467 HydrophobicContact CE2-CD2 4.27Å; F1410-L1467 HydrophobicContact CG-CD2 3.48Å; F1410-L1467 VanDerWaalsContact CG-CD2 3.48Å; I1414-L1467 HydrophobicContact CD1-CD1 3.77Å; I1414-L1467 HydrophobicContact CG1-CD1 4Å; M1463-L1467 HydrophobicContact CG-CD1 3.75Å; M1463-L1467 HydrophobicContact CG-CG 4.47Å; M1463-L1467 VanDerWaalsContact O-CG 3.31Å; M1463-L1467 WeakPolarHBondContact O-CG 3.44Å; M1463-L1467 PolarHBondContact O-N 3.06Å; M1463-L1467 HydrophobicContact SD-CD1 4.43Å; I1464-L1467 PolarHBondContact O-N 2.92Å; L1467-A1469 PolarHBondContact O-N 3.03Å; L1467-T1470 WeakPolarHBondContact O-CB 3.48Å; L1467-T1470 WeakPolarHBondContact O-CG2 3.37Å; L1467-T1470 PolarHBondContact O-N 2.87Å; L1467-T1470 PolarHBondContact O-OG1 3.49Å; L1467-L1482 HydrophobicContact CB-CD1 3.84Å; L1467-L1482 HydrophobicContact CB-CD2 4.23Å; L1467-L1482 HydrophobicContact CD1-CD1 4.09Å |
| 1468 | S | 79.1 | Confident | 80.2 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.2 | 177.6 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | I1464 Q1465 T1470 A1647 S1650 | I1464-S1468 VanDerWaalsContact O-CB 3.25Å; I1464-S1468 WeakPolarHBondContact O-CB 3.4Å; I1464-S1468 PolarHBondContact O-N 3.29Å; I1464-S1468 PolarHBondContact O-OG 3.33Å; Q1465-S1468 PolarHBondContact O-OG 3.22Å; S1468-T1470 PolarHBondContact O-N 3.48Å; S1468-T1470 VanDerWaalsContact O-N 3.12Å; S1468-A1647 PolarHBondContact OG-O 2.9Å; S1468-S1650 WeakPolarHBondContact O-CB 3.42Å |
| 1469 | A | 75.2 | Confident | 80.2 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 45% | 0.446 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -3.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1467 A1647 | L1467-A1469 PolarHBondContact O-N 3.03Å; A1469-A1647 HydrophobicContact CB-CB 3.64Å |
| 1470 | T | 76.6 | Confident | 80.2 | Confident | 24 Ų | 24 | 46 Ų | 46 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -72.4 | 152.7 | 180 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | L1467 S1468 S1472 L1478 | L1467-T1470 WeakPolarHBondContact O-CB 3.48Å; L1467-T1470 WeakPolarHBondContact O-CG2 3.37Å; L1467-T1470 PolarHBondContact O-N 2.87Å; L1467-T1470 PolarHBondContact O-OG1 3.49Å; S1468-T1470 PolarHBondContact O-N 3.48Å; S1468-T1470 VanDerWaalsContact O-N 3.12Å; T1470-S1472 PolarHBondContact O-N 3.23Å; T1470-L1478 HydrophobicContact CG2-CD2 3.42Å; T1470-L1478 VanDerWaalsContact CG2-CD2 3.42Å; T1470-L1478 HydrophobicContact CG2-CG 4.09Å |
| 1471 | I | 72.5 | Confident | 80.1 | Confident | 134 Ų | 134 | 46.9 Ų | 46.9 | 69% | 0.687 | 27% | 0.269 | S | S | * | . | trans | -61.7 | 121.8 | -179.8 | -60.6 | 168.1 | 0 | 0 | 0 | 109.4 | S1473 N1476 | I1471-S1473 PolarHBondContact O-N 3.2Å; I1471-N1476 PolarHBondContact O-ND2 2.73Å | ||
| 1472 | S | 71.9 | Confident | 80.2 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | trans | -76.6 | 48 | -176.5 | -59.3 | 0 | 0 | 0 | 0 | 114.4 | T1470 K1724 | T1470-S1472 PolarHBondContact O-N 3.23Å; S1472-K1724 WeakPolarHBondContact OG-CE 3.46Å; S1472-K1724 PolarHBondContact OG-NZ 3.37Å | ||
| 1473 | S | 71.3 | Confident | 80.2 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | trans | -100.4 | 145.7 | 176.1 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | I1471 N1475 N1476 | I1471-S1473 PolarHBondContact O-N 3.2Å; S1473-N1475 PolarHBondContact O-N 3.48Å; S1473-N1476 WeakPolarHBondContact O-CB 3.48Å; S1473-N1476 PolarHBondContact O-N 3.09Å; S1473-N1476 VanDerWaalsContact O-N 3.11Å; S1473-N1476 WeakPolarHBondContact OG-CB 3.23Å; S1473-N1476 PolarHBondContact OG-N 3.44Å | ||
| 1474 | P | 67.1 | Low | 80.1 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 69% | 0.688 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.1 | 175.9 | 27.3 | -34.7 | 0 | 0 | 0 | 112.7 | N1476 C1480 | P1474-N1476 VanDerWaalsContact C-N 3.26Å; P1474-N1476 PolarHBondContact O-N 2.9Å; P1474-C1480 PolarHBondContact O-SG 2.88Å |
| 1475 | N | 71.1 | Confident | 80.3 | Confident | 144 Ų | 144 | 52.5 Ų | 52.5 | 77% | 0.77 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -12.2 | 177.4 | -61.8 | -5.8 | 0 | 0 | 0 | 112.6 | S1473 F1477 | S1473-N1475 PolarHBondContact O-N 3.48Å; N1475-F1477 PolarHBondContact O-N 3.14Å |
| 1476 | N | 82.2 | Confident | 80.4 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | trans | -82.8 | 104.1 | 177.6 | -177.4 | -2.1 | 0 | 0 | 0 | 109.9 | I1471 S1473 P1474 L1478 F1479 C1480 | I1471-N1476 PolarHBondContact O-ND2 2.73Å; S1473-N1476 WeakPolarHBondContact O-CB 3.48Å; S1473-N1476 PolarHBondContact O-N 3.09Å; S1473-N1476 VanDerWaalsContact O-N 3.11Å; S1473-N1476 WeakPolarHBondContact OG-CB 3.23Å; S1473-N1476 PolarHBondContact OG-N 3.44Å; P1474-N1476 VanDerWaalsContact C-N 3.26Å; P1474-N1476 PolarHBondContact O-N 2.9Å; N1476-L1478 PolarHBondContact O-N 2.95Å; N1476-L1478 WeakPolarHBondContact OD1-CB 3.28Å; N1476-L1478 PolarHBondContact OD1-N 3.25Å; N1476-F1479 HydrophobicContact CB-CB 3.95Å; N1476-F1479 PolarHBondContact O-N 3.43Å; N1476-C1480 PolarHBondContact O-N 2.98Å | ||
| 1477 | F | 77.5 | Confident | 80.6 | Confident | 156 Ų | 156 | 52.2 Ų | 52.2 | 68% | 0.684 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -53.9 | -35.6 | 177.5 | -80.3 | -81.4 | 0 | 0 | 0 | 113.4 | N1475 N1481 | N1475-F1477 PolarHBondContact O-N 3.14Å; F1477-N1481 PolarHBondContact O-N 2.98Å; F1477-N1481 PolarHBondContact O-ND2 3.42Å |
| 1478 | L | 84.7 | Confident | 80.7 | Confident | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.131 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 178 | -178.6 | 61.2 | 0 | 0 | 0 | 111.2 | F1410 L1411 I1414 T1470 N1476 N1481 L1482 | F1410-L1478 HydrophobicContact CB-CD1 3.99Å; F1410-L1478 HydrophobicContact CB-CD2 4.07Å; F1410-L1478 HydrophobicContact CD2-CD2 4.29Å; L1411-L1478 HydrophobicContact CB-CD1 4.11Å; I1414-L1478 HydrophobicContact CD1-CD1 3.54Å; T1470-L1478 HydrophobicContact CG2-CD2 3.42Å; T1470-L1478 VanDerWaalsContact CG2-CD2 3.42Å; T1470-L1478 HydrophobicContact CG2-CG 4.09Å; N1476-L1478 PolarHBondContact O-N 2.95Å; N1476-L1478 WeakPolarHBondContact OD1-CB 3.28Å; N1476-L1478 PolarHBondContact OD1-N 3.25Å; L1478-N1481 PolarHBondContact O-N 2.7Å; L1478-L1482 VanDerWaalsContact O-CB 3.28Å; L1478-L1482 WeakPolarHBondContact O-CB 3.31Å; L1478-L1482 PolarHBondContact O-N 3.27Å |
| 1479 | F | 83.7 | Confident | 80.9 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 4% | 0.044 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 176.9 | 178.9 | -96.9 | 0 | 0 | 0 | 111.6 | N1476 L1482 F1483 F1653 I1654 | N1476-F1479 HydrophobicContact CB-CB 3.95Å; N1476-F1479 PolarHBondContact O-N 3.43Å; F1479-L1482 PolarHBondContact O-N 3.31Å; F1479-F1483 WeakPolarHBondContact O-CB 3.39Å; F1479-F1483 PolarHBondContact O-N 3.44Å; F1479-F1653 HydrophobicContact CZ-CD1 4.23Å; F1479-F1653 HydrophobicContact CZ-CE1 4.07Å; F1479-I1654 HydrophobicContact CD2-CD1 4.22Å; F1479-I1654 HydrophobicContact CD2-CG1 4.45Å; F1479-I1654 HydrophobicContact CE2-CD1 3.71Å; F1479-I1654 HydrophobicContact CE2-CG1 3.51Å; F1479-I1654 HydrophobicContact CZ-CG1 3.94Å |
| 1480 | C | 86 | Confident | 81.2 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 28% | 0.284 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 178.3 | -71.7 | 0 | 0 | 0 | 0 | 112.8 | P1474 N1476 F1483 K1484 | P1474-C1480 PolarHBondContact O-SG 2.88Å; N1476-C1480 PolarHBondContact O-N 2.98Å; C1480-F1483 PolarHBondContact O-N 3.27Å; C1480-K1484 WeakPolarHBondContact O-CG 3.47Å; C1480-K1484 PolarHBondContact O-N 2.95Å; C1480-K1484 VanDerWaalsContact O-N 3.08Å |
| 1481 | N | 85.7 | Confident | 81.5 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.6 | -35.7 | 176.5 | -72.9 | -63 | 0 | 0 | 0 | 112.4 | L1411 I1414 L1418 F1477 L1478 F1483 K1484 F1485 | L1411-N1481 HydrophobicContact CD1-CB 4.37Å; I1414-N1481 HydrophobicContact CG2-CB 3.97Å; L1418-N1481 HydrophobicContact CD1-CB 4.11Å; F1477-N1481 PolarHBondContact O-N 2.98Å; F1477-N1481 PolarHBondContact O-ND2 3.42Å; L1478-N1481 PolarHBondContact O-N 2.7Å; N1481-F1483 VanDerWaalsContact C-N 3.32Å; N1481-F1483 PolarHBondContact O-N 2.8Å; N1481-K1484 PolarHBondContact O-N 3.48Å; N1481-F1485 WeakPolarHBondContact O-CB 3.43Å; N1481-F1485 PolarHBondContact O-N 3.23Å |
| 1482 | L | 88.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 170.7 | -178.1 | 72.5 | 0 | 0 | 0 | 111 | I1414 L1467 L1478 F1479 F1485 V1486 I1654 | I1414-L1482 HydrophobicContact CD1-CB 4.23Å; I1414-L1482 HydrophobicContact CD1-CD1 4.18Å; L1467-L1482 HydrophobicContact CB-CD1 3.84Å; L1467-L1482 HydrophobicContact CB-CD2 4.23Å; L1467-L1482 HydrophobicContact CD1-CD1 4.09Å; L1478-L1482 VanDerWaalsContact O-CB 3.28Å; L1478-L1482 WeakPolarHBondContact O-CB 3.31Å; L1478-L1482 PolarHBondContact O-N 3.27Å; F1479-L1482 PolarHBondContact O-N 3.31Å; L1482-F1485 WeakPolarHBondContact O-CB 3.36Å; L1482-F1485 PolarHBondContact O-N 2.99Å; L1482-V1486 WeakPolarHBondContact O-CG2 3.05Å; L1482-V1486 PolarHBondContact O-N 3.22Å; L1482-I1654 HydrophobicContact CD2-CD1 3.62Å; L1482-I1654 HydrophobicContact CG-CD1 4.42Å |
| 1483 | F | 85.8 | Confident | 82.3 | Confident | 51 Ų | 51 | 44 Ų | 44 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -49.5 | 176.3 | -177.9 | -95.7 | 0 | 0 | 0 | 111.6 | F1479 C1480 N1481 F1485 V1486 E1487 I1654 K1657 I1658 | F1479-F1483 WeakPolarHBondContact O-CB 3.39Å; F1479-F1483 PolarHBondContact O-N 3.44Å; C1480-F1483 PolarHBondContact O-N 3.27Å; N1481-F1483 VanDerWaalsContact C-N 3.32Å; N1481-F1483 PolarHBondContact O-N 2.8Å; F1483-F1485 VanDerWaalsContact C-N 3.27Å; F1483-F1485 PolarHBondContact O-N 3.33Å; F1483-V1486 PolarHBondContact O-N 2.9Å; F1483-E1487 WeakPolarHBondContact O-CB 3.38Å; F1483-E1487 PolarHBondContact O-N 3.19Å; F1483-I1654 HydrophobicContact CD2-CG2 4.2Å; F1483-K1657 HydrophobicContact CE2-CB 3.64Å; F1483-K1657 HydrophobicContact CE2-CD 4.08Å; F1483-K1657 HydrophobicContact CZ-CB 4.23Å; F1483-I1658 HydrophobicContact CE2-CD1 4.14Å; F1483-I1658 HydrophobicContact CE2-CG1 3.82Å; F1483-I1658 HydrophobicContact CZ-CG1 3.95Å |
| 1484 | K | 86.1 | Confident | 82.7 | Confident | 116 Ų | 116 | 49.1 Ų | 49.1 | 50% | 0.504 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.3 | -38 | 174.9 | -72 | 176.4 | -178.7 | -179.1 | 0 | 112.5 | L1418 C1480 N1481 R1488 | L1418-K1484 HydrophobicContact CD1-CB 4.29Å; L1418-K1484 HydrophobicContact CD2-CB 4.15Å; C1480-K1484 WeakPolarHBondContact O-CG 3.47Å; C1480-K1484 PolarHBondContact O-N 2.95Å; C1480-K1484 VanDerWaalsContact O-N 3.08Å; N1481-K1484 PolarHBondContact O-N 3.48Å; K1484-R1488 WeakPolarHBondContact O-CB 3.37Å; K1484-R1488 PolarHBondContact O-N 3.05Å |
| 1485 | F | 90.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -47.1 | 178.7 | 174.4 | -110.2 | 0 | 0 | 0 | 111.5 | I1414 F1417 L1418 L1421 L1460 M1463 I1464 N1481 L1482 F1483 E1487 R1488 L1489 | I1414-F1485 HydrophobicContact CG2-CB 4.01Å; I1414-F1485 HydrophobicContact CG2-CG 4.49Å; F1417-F1485 HydrophobicContact CB-CD2 3.88Å; F1417-F1485 HydrophobicContact CB-CE2 3.56Å; F1417-F1485 HydrophobicContact CB-CZ 4.41Å; F1417-F1485 AromaticContact CD1-CE2 3.93Å; F1417-F1485 HydrophobicContact CD1-CE2 3.93Å; F1417-F1485 HydrophobicContact CD1-CZ 4.27Å; F1417-F1485 HydrophobicContact CD2-CE2 4.48Å; F1417-F1485 AromaticContact CG-CE2 3.77Å; F1417-F1485 HydrophobicContact CG-CE2 3.77Å; F1417-F1485 HydrophobicContact CG-CZ 4.19Å; L1418-F1485 HydrophobicContact CD2-CB 4.02Å; L1418-F1485 HydrophobicContact CG-CB 4.33Å; L1421-F1485 HydrophobicContact CD1-CD2 3.86Å; L1421-F1485 HydrophobicContact CD1-CE2 3.7Å; L1460-F1485 HydrophobicContact CD2-CZ 4.11Å; M1463-F1485 HydrophobicContact CE-CE1 3.54Å; M1463-F1485 HydrophobicContact CE-CZ 3.78Å; I1464-F1485 HydrophobicContact CD1-CE1 4.26Å; I1464-F1485 HydrophobicContact CG1-CE1 4.25Å; N1481-F1485 WeakPolarHBondContact O-CB 3.43Å; N1481-F1485 PolarHBondContact O-N 3.23Å; L1482-F1485 WeakPolarHBondContact O-CB 3.36Å; L1482-F1485 PolarHBondContact O-N 2.99Å; F1483-F1485 VanDerWaalsContact C-N 3.27Å; F1483-F1485 PolarHBondContact O-N 3.33Å; F1485-E1487 VanDerWaalsContact C-N 3.34Å; F1485-E1487 PolarHBondContact O-N 3.26Å; F1485-R1488 PolarHBondContact O-N 3.42Å; F1485-L1489 HydrophobicContact CD1-CD1 4.08Å; F1485-L1489 HydrophobicContact CD2-CG 4.48Å; F1485-L1489 HydrophobicContact CE1-CD1 3.49Å; F1485-L1489 VanDerWaalsContact CE1-CD1 3.49Å; F1485-L1489 HydrophobicContact CE1-CG 4.3Å; F1485-L1489 HydrophobicContact CE2-CD1 4.12Å; F1485-L1489 HydrophobicContact CE2-CD2 4.29Å; F1485-L1489 HydrophobicContact CE2-CG 4.12Å; F1485-L1489 HydrophobicContact CZ-CD1 3.54Å; F1485-L1489 HydrophobicContact CZ-CD2 4.31Å; F1485-L1489 HydrophobicContact CZ-CG 4.04Å; F1485-L1489 WeakPolarHBondContact O-CG 3.38Å; F1485-L1489 PolarHBondContact O-N 3.5Å |
| 1486 | V | 87.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | I1464 L1482 F1483 L1489 A1490 I1654 L1655 I1658 Y1661 | I1464-V1486 HydrophobicContact CD1-CG2 4.46Å; I1464-V1486 HydrophobicContact CG2-CG2 4.43Å; L1482-V1486 WeakPolarHBondContact O-CG2 3.05Å; L1482-V1486 PolarHBondContact O-N 3.22Å; F1483-V1486 PolarHBondContact O-N 2.9Å; V1486-L1489 PolarHBondContact O-N 2.89Å; V1486-A1490 PolarHBondContact O-N 3.33Å; V1486-I1654 HydrophobicContact CB-CG2 4.25Å; V1486-I1654 HydrophobicContact CG1-CG2 4.21Å; V1486-I1654 HydrophobicContact CG2-CG2 4.25Å; V1486-L1655 HydrophobicContact CG1-CD2 4.14Å; V1486-I1658 HydrophobicContact CB-CD1 4.13Å; V1486-I1658 HydrophobicContact CG1-CD1 3.65Å; V1486-Y1661 HydrophobicContact CG1-CD2 4.03Å; V1486-Y1661 HydrophobicContact CG1-CE2 3.38Å; V1486-Y1661 WeakPolarHBondContact O-CE2 3.36Å |
| 1487 | E | 85.2 | Confident | 83.7 | Confident | 100 Ų | 100 | 43.2 Ų | 43.2 | 47% | 0.467 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 173.2 | -175.3 | -179.3 | -167.4 | 0 | 0 | 111.5 | F1483 F1485 L1489 A1490 D1491 I1658 | F1483-E1487 WeakPolarHBondContact O-CB 3.38Å; F1483-E1487 PolarHBondContact O-N 3.19Å; F1485-E1487 VanDerWaalsContact C-N 3.34Å; F1485-E1487 PolarHBondContact O-N 3.26Å; E1487-L1489 VanDerWaalsContact C-N 3.35Å; E1487-L1489 PolarHBondContact O-N 3.28Å; E1487-A1490 WeakPolarHBondContact O-CB 3.44Å; E1487-A1490 PolarHBondContact O-N 2.98Å; E1487-D1491 PolarHBondContact O-N 3.39Å; E1487-I1658 HydrophobicContact CB-CD1 4.13Å |
| 1488 | R | 85.6 | Confident | 84 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 178.4 | -166.6 | 67.1 | 71.8 | 74.3 | 6.2 | 112.7 | L1421 P1422 P1424 K1484 F1485 A1490 D1491 I1492 | L1421-R1488 HydrophobicContact CB-CG 4.1Å; L1421-R1488 HydrophobicContact CD1-CG 4.25Å; L1421-R1488 PolarHBondContact O-NH1 2.93Å; L1421-R1488 VanDerWaalsContact O-NH1 3.11Å; P1422-R1488 VanDerWaalsContact C-NH1 3.3Å; P1422-R1488 VanDerWaalsContact O-CD 3.23Å; P1422-R1488 WeakPolarHBondContact O-CD 3.41Å; P1422-R1488 PolarHBondContact O-NH1 2.97Å; P1424-R1488 VanDerWaalsContact CD-CZ 3.46Å; P1424-R1488 VanDerWaalsContact CD-NE 3.28Å; K1484-R1488 WeakPolarHBondContact O-CB 3.37Å; K1484-R1488 PolarHBondContact O-N 3.05Å; F1485-R1488 PolarHBondContact O-N 3.42Å; R1488-A1490 VanDerWaalsContact C-N 3.34Å; R1488-D1491 PolarHBondContact O-N 3.4Å; R1488-I1492 HydrophobicContact CG-CD1 3.82Å; R1488-I1492 WeakPolarHBondContact O-CG1 3.42Å; R1488-I1492 PolarHBondContact O-N 2.82Å; R1488-I1492 VanDerWaalsContact O-N 3.08Å |
| 1489 | L | 84.9 | Confident | 84 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 174.9 | -73.9 | -178.3 | 0 | 0 | 0 | 112.3 | L1421 L1453 I1464 F1485 V1486 E1487 C1493 F1497 | L1421-L1489 HydrophobicContact CD1-CD2 4.34Å; L1453-L1489 HydrophobicContact CD1-CD2 3.97Å; L1453-L1489 HydrophobicContact CD2-CD2 4.33Å; I1464-L1489 HydrophobicContact CD1-CD1 4.12Å; F1485-L1489 HydrophobicContact CD1-CD1 4.08Å; F1485-L1489 HydrophobicContact CD2-CG 4.48Å; F1485-L1489 HydrophobicContact CE1-CD1 3.49Å; F1485-L1489 VanDerWaalsContact CE1-CD1 3.49Å; F1485-L1489 HydrophobicContact CE1-CG 4.3Å; F1485-L1489 HydrophobicContact CE2-CD1 4.12Å; F1485-L1489 HydrophobicContact CE2-CD2 4.29Å; F1485-L1489 HydrophobicContact CE2-CG 4.12Å; F1485-L1489 HydrophobicContact CZ-CD1 3.54Å; F1485-L1489 HydrophobicContact CZ-CD2 4.31Å; F1485-L1489 HydrophobicContact CZ-CG 4.04Å; F1485-L1489 WeakPolarHBondContact O-CG 3.38Å; F1485-L1489 PolarHBondContact O-N 3.5Å; V1486-L1489 PolarHBondContact O-N 2.89Å; E1487-L1489 VanDerWaalsContact C-N 3.35Å; E1487-L1489 PolarHBondContact O-N 3.28Å; L1489-C1493 WeakPolarHBondContact O-CB 3.35Å; L1489-C1493 PolarHBondContact O-N 3.05Å; L1489-F1497 HydrophobicContact CB-CD1 4.41Å; L1489-F1497 HydrophobicContact CB-CE1 4.19Å; L1489-F1497 HydrophobicContact CD1-CE1 3.77Å; L1489-F1497 HydrophobicContact CD1-CZ 3.99Å |
| 1490 | A | 80.9 | Confident | 84.1 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | V1486 E1487 R1488 R1494 V1498 I1658 L1660 Y1661 | V1486-A1490 PolarHBondContact O-N 3.33Å; E1487-A1490 WeakPolarHBondContact O-CB 3.44Å; E1487-A1490 PolarHBondContact O-N 2.98Å; R1488-A1490 VanDerWaalsContact C-N 3.34Å; A1490-R1494 WeakPolarHBondContact O-CA 3.25Å; A1490-R1494 PolarHBondContact O-N 3.43Å; A1490-R1494 VanDerWaalsContact O-N 3.08Å; A1490-V1498 HydrophobicContact CB-CG2 3.98Å; A1490-I1658 HydrophobicContact CB-CG2 4.3Å; A1490-L1660 HydrophobicContact CB-CB 4.43Å; A1490-L1660 HydrophobicContact CB-CD1 4.24Å; A1490-Y1661 HydrophobicContact CB-CD2 3.9Å; A1490-Y1661 HydrophobicContact CB-CE2 3.35Å |
| 1491 | D | 82 | Confident | 84.1 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.4 | -38.6 | -179.2 | -179.1 | 40.9 | 0 | 0 | 0 | 112.7 | P1424 L1425 R1446 E1487 R1488 | P1424-D1491 WeakPolarHBondContact CA-OD2 3.4Å; P1424-D1491 WeakPolarHBondContact CB-OD2 3.27Å; L1425-D1491 PolarHBondContact N-OD2 3.36Å; L1425-D1491 VanDerWaalsContact N-OD2 3.08Å; R1446-D1491 IonicContact CZ-OD2 2.68Å; R1446-D1491 IonicContact NH1-OD2 2.94Å; R1446-D1491 PolarHBondContact NH2-O 2.89Å; R1446-D1491 IonicContact NH2-OD1 2.83Å; R1446-D1491 IonicContact NH2-OD2 3.45Å; R1446-D1491 PolarHBondContact NH2-OD2 3.48Å; E1487-D1491 PolarHBondContact O-N 3.39Å; R1488-D1491 PolarHBondContact O-N 3.4Å |
| 1492 | I | 81.5 | Confident | 84.1 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.9 | -55 | -179.2 | -63.8 | 166.6 | 0 | 0 | 0 | 111.4 | L1421 P1422 W1449 A1450 L1453 R1488 R1494 | L1421-I1492 HydrophobicContact CB-CD1 4.11Å; L1421-I1492 HydrophobicContact CD2-CD1 3.77Å; L1421-I1492 HydrophobicContact CG-CD1 4.41Å; P1422-I1492 HydrophobicContact CG-CD1 3.66Å; P1422-I1492 HydrophobicContact CG-CG1 4.14Å; W1449-I1492 HydrophobicContact CB-CG2 4.06Å; A1450-I1492 HydrophobicContact CB-CG2 4.13Å; L1453-I1492 HydrophobicContact CD1-CG2 4Å; R1488-I1492 HydrophobicContact CG-CD1 3.82Å; R1488-I1492 WeakPolarHBondContact O-CG1 3.42Å; R1488-I1492 PolarHBondContact O-N 2.82Å; R1488-I1492 VanDerWaalsContact O-N 3.08Å; I1492-R1494 VanDerWaalsContact C-N 3.33Å; I1492-R1494 PolarHBondContact O-N 3.21Å |
| 1493 | C | 80.3 | Confident | 84 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.054 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -81.6 | -13.8 | -172 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | L1489 P1496 F1497 | L1489-C1493 WeakPolarHBondContact O-CB 3.35Å; L1489-C1493 PolarHBondContact O-N 3.05Å; C1493-P1496 WeakPolarHBondContact O-CD 3.38Å; C1493-F1497 HydrophobicContact CB-CB 3.43Å; C1493-F1497 VanDerWaalsContact CB-CB 3.43Å; C1493-F1497 HydrophobicContact CB-CG 4.22Å |
| 1494 | R | 79.5 | Confident | 84 | Confident | 146 Ų | 146 | 36.9 Ų | 36.9 | 55% | 0.551 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | 51.8 | -146.9 | -176.3 | -57.8 | 179.7 | 175.1 | 155.1 | -0.6 | 111.5 | A1490 I1492 V1498 | A1490-R1494 WeakPolarHBondContact O-CA 3.25Å; A1490-R1494 PolarHBondContact O-N 3.43Å; A1490-R1494 VanDerWaalsContact O-N 3.08Å; I1492-R1494 VanDerWaalsContact C-N 3.33Å; I1492-R1494 PolarHBondContact O-N 3.21Å; R1494-V1498 WeakPolarHBondContact O-CB 3.41Å; R1494-V1498 WeakPolarHBondContact O-CG2 3.48Å; R1494-V1498 PolarHBondContact O-N 3.43Å |
| 1495 | L | 76.2 | Confident | 84 | Confident | 93 Ų | 93 | 31.3 Ų | 31.3 | 49% | 0.487 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.4 | -37.9 | -169.5 | -164.1 | 65.1 | 0 | 0 | 0 | 116.2 | V1498 S1499 Y1663 | L1495-V1498 PolarHBondContact O-N 3Å; L1495-S1499 WeakPolarHBondContact O-CB 3.09Å; L1495-S1499 PolarHBondContact O-N 3.44Å; L1495-S1499 PolarHBondContact O-OG 3.18Å; L1495-Y1663 HydrophobicContact CD1-CD1 4.41Å |
| 1496 | P | 80.5 | Confident | 83.7 | Confident | 71 Ų | 71 | 31.7 Ų | 31.7 | 46% | 0.461 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -56 | -58 | -177.3 | -28.4 | 33.7 | 0 | 0 | 0 | 115 | L1454 C1493 V1498 S1499 L1500 | L1454-P1496 HydrophobicContact CD1-CB 4.11Å; L1454-P1496 HydrophobicContact CD2-CB 4.4Å; C1493-P1496 WeakPolarHBondContact O-CD 3.38Å; P1496-V1498 VanDerWaalsContact C-N 3.34Å; P1496-S1499 PolarHBondContact O-N 3.11Å; P1496-S1499 PolarHBondContact O-OG 3.07Å; P1496-L1500 PolarHBondContact O-N 3.49Å |
| 1497 | F | 84.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -38.5 | -179.9 | -178.2 | -95.1 | 0 | 0 | 0 | 111.3 | L1454 L1460 I1464 L1489 C1493 S1499 L1500 L1501 | L1454-F1497 HydrophobicContact CD1-CB 4.38Å; L1460-F1497 HydrophobicContact CB-CE2 4.14Å; L1460-F1497 HydrophobicContact CB-CZ 4.14Å; L1460-F1497 HydrophobicContact CD1-CE2 4.19Å; L1460-F1497 HydrophobicContact CD1-CZ 4.43Å; I1464-F1497 HydrophobicContact CD1-CZ 4.26Å; L1489-F1497 HydrophobicContact CB-CD1 4.41Å; L1489-F1497 HydrophobicContact CB-CE1 4.19Å; L1489-F1497 HydrophobicContact CD1-CE1 3.77Å; L1489-F1497 HydrophobicContact CD1-CZ 3.99Å; C1493-F1497 HydrophobicContact CB-CB 3.43Å; C1493-F1497 VanDerWaalsContact CB-CB 3.43Å; C1493-F1497 HydrophobicContact CB-CG 4.22Å; F1497-S1499 VanDerWaalsContact C-N 3.32Å; F1497-S1499 PolarHBondContact O-N 3.4Å; F1497-L1500 PolarHBondContact O-N 3.3Å; F1497-L1500 VanDerWaalsContact O-N 3.12Å; F1497-L1501 HydrophobicContact CE1-CB 4.37Å; F1497-L1501 HydrophobicContact CE1-CD2 4.08Å; F1497-L1501 PolarHBondContact O-N 3Å |
| 1498 | V | 84.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 178.3 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | A1490 R1494 L1495 P1496 A1502 L1660 Y1661 A1664 | A1490-V1498 HydrophobicContact CB-CG2 3.98Å; R1494-V1498 WeakPolarHBondContact O-CB 3.41Å; R1494-V1498 WeakPolarHBondContact O-CG2 3.48Å; R1494-V1498 PolarHBondContact O-N 3.43Å; L1495-V1498 PolarHBondContact O-N 3Å; P1496-V1498 VanDerWaalsContact C-N 3.34Å; V1498-A1502 WeakPolarHBondContact O-CB 3.1Å; V1498-A1502 PolarHBondContact O-N 2.77Å; V1498-L1660 HydrophobicContact CG1-CB 4.48Å; V1498-L1660 WeakPolarHBondContact CG1-O 3.48Å; V1498-Y1661 HydrophobicContact CB-CD1 4.04Å; V1498-Y1661 HydrophobicContact CB-CE1 3.95Å; V1498-Y1661 HydrophobicContact CG1-CD1 3.57Å; V1498-Y1661 HydrophobicContact CG1-CE1 4.01Å; V1498-Y1661 HydrophobicContact CG1-CG 3.97Å; V1498-Y1661 HydrophobicContact CG2-CD1 4.11Å; V1498-Y1661 HydrophobicContact CG2-CE1 3.76Å; V1498-Y1661 HydrophobicContact CG2-CE2 4.25Å; V1498-A1664 HydrophobicContact CG1-CB 3.64Å |
| 1499 | S | 84 | Confident | 83.2 | Confident | 45 Ų | 45 | 29.2 Ų | 29.2 | 32% | 0.315 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 176.2 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | L1495 P1496 F1497 N1503 | L1495-S1499 WeakPolarHBondContact O-CB 3.09Å; L1495-S1499 PolarHBondContact O-N 3.44Å; L1495-S1499 PolarHBondContact O-OG 3.18Å; P1496-S1499 PolarHBondContact O-N 3.11Å; P1496-S1499 PolarHBondContact O-OG 3.07Å; F1497-S1499 VanDerWaalsContact C-N 3.32Å; F1497-S1499 PolarHBondContact O-N 3.4Å; S1499-N1503 VanDerWaalsContact O-CB 3.26Å; S1499-N1503 WeakPolarHBondContact O-CB 3.43Å; S1499-N1503 PolarHBondContact O-N 2.98Å; S1499-N1503 PolarHBondContact O-ND2 3.07Å |
| 1500 | L | 86 | Confident | 83 | Confident | 66 Ų | 66 | 29.3 Ų | 29.3 | 35% | 0.346 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -68.2 | -42.9 | -179.2 | -172.6 | 70 | 0 | 0 | 0 | 111.9 | S1457 I1461 P1496 F1497 N1503 A1504 | S1457-L1500 VanDerWaalsContact CB-CD2 3.45Å; S1457-L1500 WeakPolarHBondContact OG-CD2 3.45Å; I1461-L1500 HydrophobicContact CD1-CB 4.47Å; I1461-L1500 HydrophobicContact CD1-CD2 3.6Å; I1461-L1500 HydrophobicContact CD1-CG 3.61Å; P1496-L1500 PolarHBondContact O-N 3.49Å; F1497-L1500 PolarHBondContact O-N 3.3Å; F1497-L1500 VanDerWaalsContact O-N 3.12Å; L1500-N1503 PolarHBondContact O-N 2.73Å; L1500-A1504 WeakPolarHBondContact O-CB 3.43Å; L1500-A1504 PolarHBondContact O-N 3.42Å |
| 1501 | L | 86.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.1 | -40.6 | 177.1 | -176.6 | 62.9 | 0 | 0 | 0 | 111.7 | I1461 I1464 F1497 N1503 A1504 C1505 M1651 L1655 Y1661 | I1461-L1501 HydrophobicContact CB-CD1 4.43Å; I1461-L1501 HydrophobicContact CG1-CD1 3.89Å; I1461-L1501 HydrophobicContact CG2-CD1 4.33Å; I1464-L1501 HydrophobicContact CD1-CD1 4.38Å; I1464-L1501 HydrophobicContact CD1-CD2 4Å; I1464-L1501 HydrophobicContact CG2-CD1 4.33Å; F1497-L1501 HydrophobicContact CE1-CB 4.37Å; F1497-L1501 HydrophobicContact CE1-CD2 4.08Å; F1497-L1501 PolarHBondContact O-N 3Å; L1501-N1503 VanDerWaalsContact C-N 3.33Å; L1501-N1503 PolarHBondContact O-N 3.44Å; L1501-A1504 PolarHBondContact O-N 3.44Å; L1501-C1505 WeakPolarHBondContact O-CB 3.4Å; L1501-C1505 PolarHBondContact O-N 3.42Å; L1501-M1651 HydrophobicContact CD1-SD 4.34Å; L1501-L1655 HydrophobicContact CD2-CD2 3.64Å; L1501-L1655 HydrophobicContact CG-CD1 4.45Å; L1501-L1655 HydrophobicContact CG-CD2 4.04Å; L1501-Y1661 HydrophobicContact CB-CE1 4.03Å; L1501-Y1661 HydrophobicContact CD2-CD1 4.46Å; L1501-Y1661 HydrophobicContact CD2-CE1 3.61Å; L1501-Y1661 HydrophobicContact CG-CE1 4.25Å |
| 1502 | A | 86.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1498 C1505 L1506 A1664 V1665 | V1498-A1502 WeakPolarHBondContact O-CB 3.1Å; V1498-A1502 PolarHBondContact O-N 2.77Å; A1502-C1505 PolarHBondContact O-N 3.48Å; A1502-L1506 WeakPolarHBondContact O-CG 3.14Å; A1502-L1506 PolarHBondContact O-N 3.41Å; A1502-L1506 VanDerWaalsContact O-N 3.09Å; A1502-A1664 HydrophobicContact CB-CB 4.07Å; A1502-V1665 HydrophobicContact CB-CG2 3.76Å |
| 1503 | N | 86.1 | Confident | 82.3 | Confident | 39 Ų | 39 | 35.2 Ų | 35.2 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.4 | -72.9 | -29.2 | 0 | 0 | 0 | 111.9 | S1499 L1500 L1501 C1505 L1506 D1507 R1697 | S1499-N1503 VanDerWaalsContact O-CB 3.26Å; S1499-N1503 WeakPolarHBondContact O-CB 3.43Å; S1499-N1503 PolarHBondContact O-N 2.98Å; S1499-N1503 PolarHBondContact O-ND2 3.07Å; L1500-N1503 PolarHBondContact O-N 2.73Å; L1501-N1503 VanDerWaalsContact C-N 3.33Å; L1501-N1503 PolarHBondContact O-N 3.44Å; N1503-C1505 VanDerWaalsContact C-N 3.3Å; N1503-C1505 PolarHBondContact O-N 3.08Å; N1503-L1506 PolarHBondContact O-N 3.31Å; N1503-D1507 WeakPolarHBondContact O-CB 3.32Å; N1503-D1507 PolarHBondContact O-N 3.04Å; N1503-R1697 PolarHBondContact OD1-NH1 3.07Å |
| 1504 | A | 85.6 | Confident | 82.1 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -35.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1461 L1500 L1501 S1508 | I1461-A1504 HydrophobicContact CD1-CB 4.39Å; I1461-A1504 HydrophobicContact CG2-CB 3.66Å; L1500-A1504 WeakPolarHBondContact O-CB 3.43Å; L1500-A1504 PolarHBondContact O-N 3.42Å; L1501-A1504 PolarHBondContact O-N 3.44Å; A1504-S1508 WeakPolarHBondContact O-CB 3.31Å; A1504-S1508 PolarHBondContact O-N 3.02Å; A1504-S1508 PolarHBondContact O-OG 2.92Å |
| 1505 | C | 86.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -50.3 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | L1501 A1502 N1503 D1507 S1508 I1509 M1651 L1655 | L1501-C1505 WeakPolarHBondContact O-CB 3.4Å; L1501-C1505 PolarHBondContact O-N 3.42Å; A1502-C1505 PolarHBondContact O-N 3.48Å; N1503-C1505 VanDerWaalsContact C-N 3.3Å; N1503-C1505 PolarHBondContact O-N 3.08Å; C1505-D1507 VanDerWaalsContact C-N 3.34Å; C1505-D1507 PolarHBondContact O-N 2.94Å; C1505-S1508 PolarHBondContact O-N 3.21Å; C1505-S1508 PolarHBondContact O-OG 3.44Å; C1505-I1509 WeakPolarHBondContact O-CG1 3.43Å; C1505-I1509 PolarHBondContact O-N 3.08Å; C1505-I1509 VanDerWaalsContact O-N 3.1Å; C1505-M1651 HydrophobicContact CB-CG 4.34Å; C1505-M1651 HydrophobicContact CB-SD 3.69Å; C1505-L1655 HydrophobicContact CB-CD1 3.74Å |
| 1506 | L | 84.4 | Confident | 81 | Confident | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -37 | 178.2 | -68.4 | 174.6 | 0 | 0 | 0 | 112.7 | A1502 N1503 I1509 G1510 A1668 L1669 F1701 | A1502-L1506 WeakPolarHBondContact O-CG 3.14Å; A1502-L1506 PolarHBondContact O-N 3.41Å; A1502-L1506 VanDerWaalsContact O-N 3.09Å; N1503-L1506 PolarHBondContact O-N 3.31Å; L1506-I1509 PolarHBondContact O-N 3.24Å; L1506-G1510 PolarHBondContact O-N 2.92Å; L1506-A1668 HydrophobicContact CD1-CB 3.64Å; L1506-L1669 HydrophobicContact CD1-CD2 4.18Å; L1506-L1669 HydrophobicContact CD1-CG 4.22Å; L1506-L1669 HydrophobicContact CD2-CD2 4.26Å; L1506-F1701 HydrophobicContact CD2-CD2 4.29Å |
| 1507 | D | 84.3 | Confident | 80.4 | Confident | 59 Ų | 59 | 31.1 Ų | 31.1 | 32% | 0.316 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.6 | -40.1 | 175.4 | -68.2 | -23.6 | 0 | 0 | 0 | 110.3 | N1503 C1505 I1509 G1510 D1511 R1697 | N1503-D1507 WeakPolarHBondContact O-CB 3.32Å; N1503-D1507 PolarHBondContact O-N 3.04Å; C1505-D1507 VanDerWaalsContact C-N 3.34Å; C1505-D1507 PolarHBondContact O-N 2.94Å; D1507-I1509 VanDerWaalsContact C-N 3.34Å; D1507-I1509 PolarHBondContact O-N 2.7Å; D1507-G1510 CarbonylContact O-C 3.6Å; D1507-G1510 WeakPolarHBondContact O-CA 3.48Å; D1507-G1510 PolarHBondContact O-N 3.08Å; D1507-D1511 PolarHBondContact O-N 3.36Å; D1507-R1697 IonicContact OD1-CZ 3.08Å; D1507-R1697 IonicContact OD1-NE 3.92Å; D1507-R1697 PolarHBondContact OD1-NE 3.32Å; D1507-R1697 IonicContact OD1-NH2 3.47Å; D1507-R1697 PolarHBondContact OD1-NH2 3.43Å; D1507-R1697 IonicContact OD2-CZ 2.82Å; D1507-R1697 IonicContact OD2-NE 3.4Å; D1507-R1697 IonicContact OD2-NH2 3.98Å; D1507-R1697 PolarHBondContact OD2-NH2 3.17Å |
| 1508 | S | 81.8 | Confident | 79.4 | Confident | 24 Ų | 24 | 35.5 Ų | 35.5 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 174.5 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | A1504 C1505 G1510 D1511 I1512 | A1504-S1508 WeakPolarHBondContact O-CB 3.31Å; A1504-S1508 PolarHBondContact O-N 3.02Å; A1504-S1508 PolarHBondContact O-OG 2.92Å; C1505-S1508 PolarHBondContact O-N 3.21Å; C1505-S1508 PolarHBondContact O-OG 3.44Å; S1508-G1510 VanDerWaalsContact C-N 3.32Å; S1508-D1511 PolarHBondContact O-N 3.35Å; S1508-I1512 WeakPolarHBondContact O-CD1 3.05Å; S1508-I1512 VanDerWaalsContact O-CG1 3.26Å; S1508-I1512 WeakPolarHBondContact O-CG1 3.36Å; S1508-I1512 PolarHBondContact O-N 2.93Å |
| 1509 | I | 82.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 173.1 | -66.4 | 168.7 | 0 | 0 | 0 | 110.4 | C1505 L1506 D1507 R1513 A1648 L1652 V1704 | C1505-I1509 WeakPolarHBondContact O-CG1 3.43Å; C1505-I1509 PolarHBondContact O-N 3.08Å; C1505-I1509 VanDerWaalsContact O-N 3.1Å; L1506-I1509 PolarHBondContact O-N 3.24Å; D1507-I1509 VanDerWaalsContact C-N 3.34Å; D1507-I1509 PolarHBondContact O-N 2.7Å; I1509-R1513 PolarHBondContact O-N 2.89Å; I1509-A1648 HydrophobicContact CG1-CB 4Å; I1509-L1652 HydrophobicContact CD1-CD2 4.28Å; I1509-V1704 HydrophobicContact CG2-CB 4.25Å; I1509-V1704 HydrophobicContact CG2-CG1 4.17Å; I1509-V1704 HydrophobicContact CG2-CG2 4.01Å |
| 1510 | G | 80.2 | Confident | 76.9 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1506 D1507 S1508 R1513 N1514 | L1506-G1510 PolarHBondContact O-N 2.92Å; D1507-G1510 CarbonylContact O-C 3.6Å; D1507-G1510 WeakPolarHBondContact O-CA 3.48Å; D1507-G1510 PolarHBondContact O-N 3.08Å; S1508-G1510 VanDerWaalsContact C-N 3.32Å; G1510-R1513 WeakPolarHBondContact O-CB 3.35Å; G1510-R1513 PolarHBondContact O-N 3.08Å; G1510-N1514 VanDerWaalsContact O-CG 3.25Å; G1510-N1514 PolarHBondContact O-N 3.4Å; G1510-N1514 PolarHBondContact O-ND2 2.88Å |
| 1511 | D | 79.6 | Confident | 75.4 | Confident | 87 Ų | 87 | 43.1 Ų | 43.1 | 47% | 0.465 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.2 | -42.4 | 179.7 | -73.6 | -22.1 | 0 | 0 | 0 | 111.8 | D1507 S1508 R1513 N1514 Q1515 | D1507-D1511 PolarHBondContact O-N 3.36Å; S1508-D1511 PolarHBondContact O-N 3.35Å; D1511-R1513 VanDerWaalsContact C-N 3.26Å; D1511-R1513 PolarHBondContact O-N 3.47Å; D1511-N1514 PolarHBondContact O-N 2.91Å; D1511-N1514 VanDerWaalsContact O-N 3.08Å; D1511-Q1515 WeakPolarHBondContact O-CG 3.44Å; D1511-Q1515 PolarHBondContact O-N 3.29Å |
| 1512 | I | 75.7 | Confident | 73.8 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.9 | -43.5 | 172.7 | -68.2 | 164.2 | 0 | 0 | 0 | 109.9 | S1508 N1514 Q1515 I1516 E1644 A1648 | S1508-I1512 WeakPolarHBondContact O-CD1 3.05Å; S1508-I1512 VanDerWaalsContact O-CG1 3.26Å; S1508-I1512 WeakPolarHBondContact O-CG1 3.36Å; S1508-I1512 PolarHBondContact O-N 2.93Å; I1512-N1514 PolarHBondContact O-N 3.17Å; I1512-Q1515 PolarHBondContact O-N 3.29Å; I1512-I1516 HydrophobicContact CG2-CD1 3.81Å; I1512-I1516 WeakPolarHBondContact O-CD1 3.32Å; I1512-I1516 WeakPolarHBondContact O-CG1 3.26Å; I1512-I1516 PolarHBondContact O-N 3.02Å; I1512-E1644 HydrophobicContact CD1-CB 4.45Å; I1512-A1648 HydrophobicContact CD1-CB 3.8Å |
| 1513 | R | 75 | Confident | 71.9 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 19% | 0.185 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 173.8 | -180 | -165.6 | 177.1 | -147.5 | -3.6 | 111.8 | I1509 G1510 D1511 Q1515 I1516 I1517 N1700 N1703 V1704 | I1509-R1513 PolarHBondContact O-N 2.89Å; G1510-R1513 WeakPolarHBondContact O-CB 3.35Å; G1510-R1513 PolarHBondContact O-N 3.08Å; D1511-R1513 VanDerWaalsContact C-N 3.26Å; D1511-R1513 PolarHBondContact O-N 3.47Å; R1513-Q1515 VanDerWaalsContact C-N 3.31Å; R1513-Q1515 PolarHBondContact O-N 3.26Å; R1513-I1516 PolarHBondContact O-N 3.47Å; R1513-I1517 HydrophobicContact CG-CD1 3.98Å; R1513-I1517 WeakPolarHBondContact O-CG1 3.36Å; R1513-I1517 PolarHBondContact O-N 3.12Å; R1513-N1700 PolarHBondContact NH1-OD1 2.95Å; R1513-N1703 PolarHBondContact NH1-ND2 2.88Å; R1513-N1703 PolarHBondContact NH2-ND2 3.47Å; R1513-V1704 HydrophobicContact CB-CG2 3.94Å; R1513-V1704 HydrophobicContact CG-CG2 4.29Å |
| 1514 | N | 74.9 | Confident | 69.8 | Low | 70 Ų | 70 | 59.4 Ų | 59.4 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | -178.8 | -66.7 | -29.1 | 0 | 0 | 0 | 111.7 | G1510 D1511 I1512 I1517 N1518 | G1510-N1514 VanDerWaalsContact O-CG 3.25Å; G1510-N1514 PolarHBondContact O-N 3.4Å; G1510-N1514 PolarHBondContact O-ND2 2.88Å; D1511-N1514 PolarHBondContact O-N 2.91Å; D1511-N1514 VanDerWaalsContact O-N 3.08Å; I1512-N1514 PolarHBondContact O-N 3.17Å; N1514-I1517 PolarHBondContact O-N 3.27Å; N1514-N1518 PolarHBondContact O-N 2.96Å; N1514-N1518 VanDerWaalsContact O-N 3.08Å; N1514-N1518 PolarHBondContact O-ND2 3.11Å |
| 1515 | Q | 69.8 | Low | 67.8 | Low | 93 Ų | 93 | 66.1 Ų | 66.1 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 172.8 | -74.3 | 179.4 | -7.9 | 0 | 0 | 111.4 | D1511 I1512 R1513 I1517 N1518 E1519 | D1511-Q1515 WeakPolarHBondContact O-CG 3.44Å; D1511-Q1515 PolarHBondContact O-N 3.29Å; I1512-Q1515 PolarHBondContact O-N 3.29Å; R1513-Q1515 VanDerWaalsContact C-N 3.31Å; R1513-Q1515 PolarHBondContact O-N 3.26Å; Q1515-I1517 PolarHBondContact O-N 3.23Å; Q1515-N1518 PolarHBondContact O-N 2.82Å; Q1515-E1519 PolarHBondContact O-N 3.12Å; Q1515-E1519 VanDerWaalsContact O-N 3.1Å |
| 1516 | I | 63.4 | Low | 65.4 | Low | 17 Ų | 17 | 74.2 Ų | 74.2 | 9% | 0.087 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 177 | -64.6 | 160.4 | 0 | 0 | 0 | 111.5 | I1512 R1513 N1518 E1519 T1520 F1635 I1640 | I1512-I1516 HydrophobicContact CG2-CD1 3.81Å; I1512-I1516 WeakPolarHBondContact O-CD1 3.32Å; I1512-I1516 WeakPolarHBondContact O-CG1 3.26Å; I1512-I1516 PolarHBondContact O-N 3.02Å; R1513-I1516 PolarHBondContact O-N 3.47Å; I1516-N1518 VanDerWaalsContact C-N 3.33Å; I1516-N1518 PolarHBondContact O-N 3.21Å; I1516-E1519 PolarHBondContact O-N 3.25Å; I1516-T1520 PolarHBondContact O-N 2.87Å; I1516-T1520 VanDerWaalsContact O-N 3.11Å; I1516-F1635 HydrophobicContact CG2-CD2 4.46Å; I1516-I1640 HydrophobicContact CB-CD1 4.04Å; I1516-I1640 HydrophobicContact CG1-CD1 3.6Å; I1516-I1640 HydrophobicContact CG2-CD1 4.02Å |
| 1517 | I | 67.3 | Low | 62.7 | Low | 51 Ų | 51 | 77.6 Ų | 77.6 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 178.3 | -67.9 | 167.2 | 0 | 0 | 0 | 110.3 | R1513 N1514 Q1515 E1519 T1520 E1521 | R1513-I1517 HydrophobicContact CG-CD1 3.98Å; R1513-I1517 WeakPolarHBondContact O-CG1 3.36Å; R1513-I1517 PolarHBondContact O-N 3.12Å; N1514-I1517 PolarHBondContact O-N 3.27Å; Q1515-I1517 PolarHBondContact O-N 3.23Å; I1517-E1519 VanDerWaalsContact C-N 3.31Å; I1517-E1519 PolarHBondContact O-N 2.93Å; I1517-T1520 PolarHBondContact O-N 3.05Å; I1517-T1520 PolarHBondContact O-OG1 2.91Å; I1517-E1521 PolarHBondContact O-N 3.13Å; I1517-E1521 VanDerWaalsContact O-N 3.16Å |
| 1518 | N | 64.5 | Low | 60.1 | Low | 92 Ų | 92 | 80.2 Ų | 80.2 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.1 | -32.8 | 179.7 | -69.7 | -23.8 | 0 | 0 | 0 | 113.2 | N1514 Q1515 I1516 K1522 | N1514-N1518 PolarHBondContact O-N 2.96Å; N1514-N1518 VanDerWaalsContact O-N 3.08Å; N1514-N1518 PolarHBondContact O-ND2 3.11Å; Q1515-N1518 PolarHBondContact O-N 2.82Å; I1516-N1518 VanDerWaalsContact C-N 3.33Å; I1516-N1518 PolarHBondContact O-N 3.21Å; N1518-K1522 PolarHBondContact O-N 3.46Å |
| 1519 | E | 59.4 | Low | 57.5 | Low | 110 Ų | 110 | 87.2 Ų | 87.2 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | 175 | -68.3 | -143.8 | 145.5 | 0 | 0 | 112.4 | Q1515 I1516 I1517 E1521 K1522 Q1523 I1640 | Q1515-E1519 PolarHBondContact O-N 3.12Å; Q1515-E1519 VanDerWaalsContact O-N 3.1Å; I1516-E1519 PolarHBondContact O-N 3.25Å; I1517-E1519 VanDerWaalsContact C-N 3.31Å; I1517-E1519 PolarHBondContact O-N 2.93Å; E1519-E1521 PolarHBondContact O-N 3.18Å; E1519-K1522 PolarHBondContact O-N 3.34Å; E1519-Q1523 PolarHBondContact O-N 3.36Å; E1519-I1640 HydrophobicContact CB-CD1 4.47Å |
| 1520 | T | 56.3 | Low | 54.7 | Low | 58 Ų | 58 | 93.2 Ų | 93.2 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 176.9 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | I1516 I1517 K1522 | I1516-T1520 PolarHBondContact O-N 2.87Å; I1516-T1520 VanDerWaalsContact O-N 3.11Å; I1517-T1520 PolarHBondContact O-N 3.05Å; I1517-T1520 PolarHBondContact O-OG1 2.91Å; T1520-K1522 PolarHBondContact O-N 3.04Å |
| 1521 | E | 54.2 | Low | 52 | Low | 104 Ų | 104 | 98.6 Ų | 98.6 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.8 | -29.6 | 177.1 | -70 | -170.6 | 178.2 | 0 | 0 | 113.7 | I1517 E1519 | I1517-E1521 PolarHBondContact O-N 3.13Å; I1517-E1521 VanDerWaalsContact O-N 3.16Å; E1519-E1521 PolarHBondContact O-N 3.18Å |
| 1522 | K | 51.8 | Low | 49.4 | Very low | 154 Ų | 154 | 101.9 Ų | 101.9 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.5 | -36.9 | 178.7 | -81 | 179.6 | -178.8 | 174.5 | 0 | 112.3 | N1518 E1519 T1520 | N1518-K1522 PolarHBondContact O-N 3.46Å; E1519-K1522 PolarHBondContact O-N 3.34Å; T1520-K1522 PolarHBondContact O-N 3.04Å |
| 1523 | Q | 46.2 | Very low | 47.1 | Very low | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.5 | -36.1 | 179.4 | -72.4 | -174.5 | 6.8 | 0 | 0 | 112.4 | E1519 K1525 Q1526 | E1519-Q1523 PolarHBondContact O-N 3.36Å; Q1523-K1525 VanDerWaalsContact C-N 3.33Å; Q1523-K1525 PolarHBondContact O-N 3.35Å; Q1523-Q1526 PolarHBondContact O-N 3.13Å |
| 1524 | E | 42 | Very low | 44.8 | Very low | 115 Ų | 115 | 111.2 Ų | 111.2 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.9 | -29.4 | 177.5 | -75.7 | -168.4 | 159.9 | 0 | 0 | 113.3 | Q1526 S1527 | E1524-Q1526 PolarHBondContact O-N 3.37Å; E1524-S1527 PolarHBondContact O-N 3.07Å; E1524-S1527 PolarHBondContact O-OG 3.43Å |
| 1525 | K | 45.3 | Very low | 42.4 | Very low | 162 Ų | 162 | 111.1 Ų | 111.1 | 70% | 0.704 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73 | -14.3 | 176.5 | -74.6 | 178.7 | -177.2 | 164.7 | 0 | 114 | Q1523 | Q1523-K1525 VanDerWaalsContact C-N 3.33Å; Q1523-K1525 PolarHBondContact O-N 3.35Å |
| 1526 | Q | 34.8 | Very low | 40.2 | Very low | 169 Ų | 169 | 113.9 Ų | 113.9 | 79% | 0.79 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -93.8 | -10.8 | 175 | -82.2 | 175 | -11.1 | 0 | 0 | 113.7 | Q1523 E1524 | Q1523-Q1526 PolarHBondContact O-N 3.13Å; E1524-Q1526 PolarHBondContact O-N 3.37Å |
| 1527 | S | 29 | Very low | 38.4 | Very low | 78 Ų | 78 | 120.4 Ų | 120.4 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -99 | -4.7 | -178.6 | 60.3 | 0 | 0 | 0 | 0 | 114.8 | E1524 | E1524-S1527 PolarHBondContact O-N 3.07Å; E1524-S1527 PolarHBondContact O-OG 3.43Å |
| 1528 | T | 29.8 | Very low | 36.3 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -90 | 11.2 | 178.3 | 55.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1529 | E | 26.4 | Very low | 34.4 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -113.2 | 116.4 | 165.1 | -76.1 | -174.1 | 168.3 | 0 | 0 | 109.7 | ||
| 1530 | S | 24.2 | Very low | 32.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | trans | 82.3 | 53.7 | 173.1 | 74.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1531 | T | 22.7 | Very low | 30.9 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -90.4 | 140.9 | 145.4 | 39 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1532 | I | 26.2 | Very low | 29.3 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | 128.8 | 121.7 | 156.2 | -62.8 | 158.9 | 0 | 0 | 0 | 113.1 | ||||
| 1533 | N | 27 | Very low | 27.8 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | trans | 100.8 | 100.8 | 162.3 | -87.1 | 40.2 | 0 | 0 | 0 | 119.8 | ||||
| 1534 | D | 26.3 | Very low | 26.7 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | 69.8 | 119.5 | 136.5 | -46.1 | -30.6 | 0 | 0 | 0 | 116.5 | ||||
| 1535 | G | 23.3 | Very low | 25.7 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | cis | 121.7 | 116.8 | 33.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1536 | D | 25.1 | Very low | 24.6 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 93.2 | 114.5 | 161.2 | -62.8 | -11.8 | 0 | 0 | 0 | 121.4 | ||||
| 1537 | N | 25.3 | Very low | 24.1 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 89.3 | 86.1 | 139.9 | -60.3 | -25.4 | 0 | 0 | 0 | 118.8 | ||||
| 1538 | I | 23.2 | Very low | 23.6 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -97.6 | 111.5 | 159.7 | -63.6 | 169.4 | 0 | 0 | 0 | 107.4 | ||||
| 1539 | E | 23.3 | Very low | 23.2 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -156.3 | 123.9 | 149.8 | -111.6 | -177.6 | -157 | 0 | 0 | 110 | ||||
| 1540 | N | 23.5 | Very low | 22.8 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 67.6 | 101.3 | 158.9 | -64 | -30.9 | 0 | 0 | 0 | 120.2 | ||||
| 1541 | L | 20.2 | Very low | 22.6 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | 172.9 | 133.5 | 100 | -99.9 | 143 | 0 | 0 | 0 | 111.6 | |||||
| 1542 | C | 20.4 | Very low | 22.5 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -61.8 | 130.7 | 171.8 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1543 | S | 20.6 | Very low | 22.2 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -163.5 | 126.4 | 137.8 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1544 | K | 22.1 | Very low | 21.9 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -53.9 | 149 | 167 | -63.6 | 161.8 | 172.7 | 176.8 | 0 | 111.1 | ||||
| 1545 | T | 20.9 | Very low | 21.7 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -166.6 | 135.6 | 130.1 | 16.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1546 | V | 22.7 | Very low | 21.6 | Very low | 129 Ų | 129 | 140 Ų | 140 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 135.5 | 179.6 | 169.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1547 | D | 23.8 | Very low | 21.4 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -155.4 | 108.5 | 150 | -102.3 | -35.1 | 0 | 0 | 0 | 112.6 | ||||
| 1548 | S | 19.7 | Very low | 21.3 | Very low | 83 Ų | 83 | 145 Ų | 145 | 58% | 0.58 | 81% | 0.807 | S | S | * | * | 43.5 | 112.9 | 127.5 | 58.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1549 | L | 19.6 | Very low | 21.2 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | 161 | 124 | 111.6 | -85 | 160.8 | 0 | 0 | 0 | 112.2 | |||||
| 1550 | S | 18.8 | Very low | 21.2 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -52.6 | 139.8 | 161 | 49 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1551 | S | 19.9 | Very low | 21.2 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | 164.4 | 156.1 | 116.7 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1552 | S | 20.2 | Very low | 21.2 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 88.7 | 90.2 | 163.6 | 76.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1553 | S | 19.4 | Very low | 21.4 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -41.4 | 137.9 | 142.1 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1554 | S | 22.2 | Very low | 21.5 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -143.6 | 114.5 | 147.2 | -85.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1555 | M | 20.5 | Very low | 21.4 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -74.7 | 137.4 | 171.1 | -101.3 | -90.6 | 160.7 | 0 | 0 | 111.1 | ||||
| 1556 | N | 22.7 | Very low | 21.5 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -154.7 | 92.4 | 152.3 | -91.2 | -27.1 | 0 | 0 | 0 | 107 | ||||
| 1557 | K | 20.4 | Very low | 21.6 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | 53.2 | 89.3 | 96.8 | -74.2 | -172.1 | 178.1 | -179 | 0 | 114.7 | |||||
| 1558 | Y | 23.3 | Very low | 21.6 | Very low | 228 Ų | 228 | 139.7 Ų | 139.7 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -116.9 | 141.1 | 149.7 | -103.8 | -93 | 0 | 0 | 0 | 108.7 | ||||
| 1559 | N | 21.5 | Very low | 22 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -84.4 | 112.1 | -177.6 | -74.3 | -31.7 | 0 | 0 | 0 | 109.5 | ||||
| 1560 | D | 23.5 | Very low | 22.4 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | -88.3 | 111.3 | 163.3 | -76.8 | -41.1 | 0 | 0 | 0 | 109.8 | ||||
| 1561 | S | 22 | Very low | 22.8 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -94.2 | 101.4 | 166.4 | 51.6 | 0 | 0 | 0 | 0 | 109.1 | S1563 | S1561-S1563 PolarHBondContact O-N 2.84Š| ||
| 1562 | I | 21.9 | Very low | 23.1 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 33.7 | 84.8 | 140.5 | -47.9 | 174.2 | 0 | 0 | 0 | 114.8 | ||
| 1563 | S | 23.6 | Very low | 23.4 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -161.3 | 37.3 | 161.4 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | S1561 | S1561-S1563 PolarHBondContact O-N 2.84Š| ||
| 1564 | E | 22.3 | Very low | 23.5 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -106.9 | 89.8 | -179.8 | -73.5 | -175.4 | 161.5 | 0 | 0 | 110.6 | ||||
| 1565 | L | 21.6 | Very low | 23.5 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | -143.6 | 13.3 | 160.4 | -100.4 | 171 | 0 | 0 | 0 | 112.7 | ||||
| 1566 | N | 22.6 | Very low | 23.5 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -110.9 | 114.9 | 173.7 | -70.8 | -7 | 0 | 0 | 0 | 109.2 | ||
| 1567 | A | 23.8 | Very low | 23.4 | Very low | 68 Ų | 68 | 137 Ų | 137 | 56% | 0.562 | 73% | 0.727 | S | S | * | * | trans | 74.1 | 92.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1568 | P | 25.1 | Very low | 23.4 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | trans | -109.7 | 49 | 150.7 | 39.1 | -26.8 | 0 | 0 | 0 | 109.8 | ||||
| 1569 | S | 26.9 | Very low | 23.4 | Very low | 33 Ų | 33 | 129.8 Ų | 129.8 | 23% | 0.231 | 72% | 0.717 | C | S | . | * | trans | -98.6 | 91.1 | -178.4 | -56.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1570 | T | 27.8 | Very low | 23.3 | Very low | 35 Ų | 35 | 129.2 Ų | 129.2 | 22% | 0.215 | 71% | 0.714 | C | S | . | * | S | Bend | trans | 154.9 | -22.1 | 149.1 | 47.7 | 0 | 0 | 0 | 0 | 115.3 | L1572 T1643 E1644 | T1570-L1572 PolarHBondContact O-N 3.24Å; T1570-T1643 WeakPolarHBondContact CG2-OG1 3.37Å; T1570-E1644 HydrophobicContact CG2-CB 4.48Å; T1570-E1644 HydrophobicContact CG2-CG 3.73Å |
| 1571 | K | 27.3 | Very low | 23.3 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -5.1 | -172.9 | -80.9 | -171.9 | 176.9 | 175.3 | 0 | 116.8 | ||
| 1572 | L | 27.4 | Very low | 23.3 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -7.5 | -171.3 | -83.3 | 170.7 | 0 | 0 | 0 | 117 | T1570 | T1570-L1572 PolarHBondContact O-N 3.24Š|
| 1573 | L | 25.9 | Very low | 23.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 63% | 0.628 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -125.1 | -0.1 | -170.2 | -77.8 | 171.7 | 0 | 0 | 0 | 117.4 | F1410 | F1410-L1573 HydrophobicContact CE2-CD1 4.44Š|
| 1574 | L | 21.8 | Very low | 23.1 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | trans | -134.7 | 65.4 | -177.2 | -70 | 167.9 | 0 | 0 | 0 | 113 | T1643 | L1574-T1643 HydrophobicContact CD1-CG2 3.56Š| ||
| 1575 | N | 21.2 | Very low | 22.9 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | -149.6 | 103.9 | 158 | -164.4 | 14.1 | 0 | 0 | 0 | 111.6 | Q1577 | N1575-Q1577 PolarHBondContact O-N 3.34Š| ||
| 1576 | P | 21.4 | Very low | 22.9 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | trans | -88.7 | 78.2 | 175.3 | 35.2 | -28.6 | 0 | 0 | 0 | 109.4 | ||||
| 1577 | Q | 19.7 | Very low | 22.8 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | trans | -137.6 | 110.2 | 166.5 | -78 | -68.9 | -56.1 | 0 | 0 | 108.5 | N1575 I1579 | N1575-Q1577 PolarHBondContact O-N 3.34Å; Q1577-I1579 PolarHBondContact O-N 3.02Å | ||
| 1578 | P | 21.4 | Very low | 22.6 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -79.1 | 89.1 | 177.9 | 31.8 | -30.6 | 0 | 0 | 0 | 109.1 | L1580 | P1578-L1580 PolarHBondContact O-N 3.48Š| ||
| 1579 | I | 22.4 | Very low | 22.4 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | trans | -84.1 | 95.2 | 168 | -61.5 | 175.5 | 0 | 0 | 0 | 107.3 | Q1577 D1581 | Q1577-I1579 PolarHBondContact O-N 3.02Å; I1579-D1581 PolarHBondContact O-N 2.93Å | ||
| 1580 | L | 19.8 | Very low | 22.1 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -61.9 | 119.7 | 157.3 | -86.1 | 83.4 | 0 | 0 | 0 | 108.7 | P1578 | P1578-L1580 PolarHBondContact O-N 3.48Š| ||
| 1581 | D | 22.9 | Very low | 21.7 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -147.7 | 97 | 148.5 | -116.1 | -20 | 0 | 0 | 0 | 110.2 | I1579 R1583 | I1579-D1581 PolarHBondContact O-N 2.93Å; D1581-R1583 PolarHBondContact O-N 3.47Å | ||
| 1582 | P | 21.9 | Very low | 21.5 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -91.2 | 82.7 | -175.3 | 35.1 | -30.6 | 0 | 0 | 0 | 110.3 | ||||
| 1583 | R | 20.2 | Very low | 21.1 | Very low | 235 Ų | 235 | 140.6 Ų | 140.6 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -145.8 | 92.5 | 163.8 | -81.9 | -171.2 | 178.1 | 174.3 | 0.6 | 110.1 | D1581 | D1581-R1583 PolarHBondContact O-N 3.47Š| ||
| 1584 | L | 22.5 | Very low | 20.9 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | 178.6 | 80.4 | 132.2 | -92.7 | 158.1 | 0 | 0 | 0 | 108.5 | ||||
| 1585 | T | 18.3 | Very low | 20.7 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 120.6 | 148.1 | 42.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1586 | S | 20.4 | Very low | 20.6 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | 167.1 | 127.3 | 137 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1587 | Q | 20.7 | Very low | 20.6 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | 85.7 | 94.9 | 142.1 | -72.8 | -174.9 | -46 | 0 | 0 | 120.8 | ||||
| 1588 | Q | 20.2 | Very low | 20.7 | Very low | 156 Ų | 156 | 149 Ų | 149 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | 61.4 | 111.5 | 102.5 | -79 | 178.4 | -29.1 | 0 | 0 | 119.6 | |||||
| 1589 | D | 20.6 | Very low | 20.6 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | 108.3 | 117.1 | 123 | -67.3 | -14.7 | 0 | 0 | 0 | 119.8 | |||||
| 1590 | L | 19.8 | Very low | 20.6 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -68.9 | 150.9 | 173 | -70.4 | 151.6 | 0 | 0 | 0 | 112.4 | ||||
| 1591 | G | 20.1 | Very low | 20.7 | Very low | 82 Ų | 82 | 149.8 Ų | 149.8 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -169.4 | 96.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1592 | I | 21.9 | Very low | 20.6 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -91.1 | 139.2 | 175.9 | -66.2 | 165.3 | 0 | 0 | 0 | 109.6 | ||||
| 1593 | S | 20.8 | Very low | 20.7 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | 174.1 | 130.3 | 134 | 43.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1594 | S | 20.2 | Very low | 21.1 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | 58 | 102.7 | 138.8 | 69.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1595 | W | 18.7 | Very low | 21 | Very low | 255 Ų | 255 | 142.9 Ų | 142.9 | 97% | 0.966 | 82% | 0.818 | S | S | * | * | 29.7 | 120.5 | 113.9 | -65.2 | 49.8 | 0 | 0 | 0 | 119.4 | |||||
| 1596 | Q | 18.5 | Very low | 21.1 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | trans | -157.7 | 132 | 139.9 | -112 | 176.7 | 9.5 | 0 | 0 | 112.1 | ||||
| 1597 | A | 20.4 | Very low | 21.2 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -79.3 | 143.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1598 | N | 23 | Very low | 21.5 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -124.5 | 125.8 | 166.8 | -94.9 | -22.3 | 0 | 0 | 0 | 110.2 | ||||
| 1599 | S | 20.1 | Very low | 21.8 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -70.7 | 147.1 | 165.6 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1600 | M | 22.2 | Very low | 21.8 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 96% | 0.961 | 82% | 0.82 | S | S | * | * | trans | -159.8 | 138.2 | 139.7 | -99.2 | -162 | 179.6 | 0 | 0 | 111.1 | ||||
| 1601 | T | 21.7 | Very low | 21.9 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | -87.9 | 153.2 | 174.6 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1602 | D | 20.5 | Very low | 22 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | 159.1 | 127.4 | 127.1 | -83.2 | -8.1 | 0 | 0 | 0 | 116.2 | |||||
| 1603 | S | 24.2 | Very low | 21.9 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 81 | 139.8 | 132.9 | 76 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1604 | P | 27.2 | Very low | 21.9 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -115.8 | 158.3 | -178.2 | 41.6 | -30.8 | 0 | 0 | 0 | 115.2 | ||||
| 1605 | V | 21.6 | Very low | 21.9 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | trans | -144.5 | 138.8 | 158.3 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1606 | T | 21 | Very low | 22 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -71.4 | 158.5 | -174.3 | 38.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1607 | I | 21.9 | Very low | 22.1 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 82% | 0.821 | 77% | 0.773 | S | S | * | * | 168.4 | 102.2 | 129.6 | -80.8 | 152.5 | 0 | 0 | 0 | 107.2 | |||||
| 1608 | N | 26.1 | Very low | 22.1 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | 75.4 | 150.1 | 92 | -106.9 | 16.2 | 0 | 0 | 0 | 117.7 | |||||
| 1609 | P | 26.8 | Very low | 22 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -118.4 | 174.7 | -139.2 | 44.2 | -34.8 | 0 | 0 | 0 | 114.8 | ||||
| 1610 | Q | 21.2 | Very low | 22.1 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | 173.1 | 144.1 | 155.9 | -100.5 | 173.7 | 25.9 | 0 | 0 | 107.5 | ||||
| 1611 | F | 22.3 | Very low | 22 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | cis | -162.8 | 144.7 | 18.9 | -127.2 | -76.6 | 0 | 0 | 0 | 108.7 | ||||
| 1612 | N | 21.6 | Very low | 22 | Very low | 126 Ų | 126 | 135 Ų | 135 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | 31.8 | 119.7 | 152.8 | -70.6 | -11.3 | 0 | 0 | 0 | 122.2 | ||||
| 1613 | N | 20.5 | Very low | 22 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | 68.7 | 122.9 | 78.9 | -95.1 | -15.5 | 0 | 0 | 0 | 116.7 | |||||
| 1614 | S | 20.2 | Very low | 21.8 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 98.5 | 109.1 | 134.9 | 72.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1615 | T | 20 | Very low | 21.5 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | 89.9 | 120.9 | 118.8 | 48.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1616 | K | 20.5 | Very low | 21.3 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | 71.9 | 111.3 | 125.1 | -69.6 | 176.5 | 178.8 | 178 | 0 | 116.3 | |||||
| 1617 | N | 21.1 | Very low | 21.3 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | 105.4 | 148.7 | 76.7 | -87.4 | -1.4 | 0 | 0 | 0 | 109.9 | |||||
| 1618 | I | 20.7 | Very low | 21.2 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | 91.6 | 87.8 | 158.2 | -59 | 138.7 | 0 | 0 | 0 | 115.7 | ||||
| 1619 | T | 20.6 | Very low | 21 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | 24.3 | 111.4 | 117.8 | 51 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1620 | T | 21.9 | Very low | 21.1 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -140.5 | 100.3 | 152.3 | 39.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1621 | T | 21 | Very low | 21.5 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | 80.5 | 131.2 | 91.3 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1622 | N | 21.3 | Very low | 21.9 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | 83.6 | 97.2 | 163.2 | -66.2 | -7.7 | 0 | 0 | 0 | 116.4 | ||||
| 1623 | N | 20.2 | Very low | 22.5 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 43.1 | 90.2 | 72.4 | -72.5 | -6.7 | 0 | 0 | 0 | 112.3 | |||||
| 1624 | N | 21.1 | Very low | 23.4 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | -138.7 | 123.2 | 130.8 | -99.4 | -19.4 | 0 | 0 | 0 | 109.2 | S1626 | N1624-S1626 PolarHBondContact O-N 3.34Š| ||
| 1625 | Y | 19.3 | Very low | 24.6 | Very low | 211 Ų | 211 | 131.6 Ų | 131.6 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | trans | -55.9 | 125.1 | 171.8 | -77.4 | -103.7 | 0 | 0 | 0 | 110.4 | ||||
| 1626 | S | 18.6 | Very low | 26.1 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | trans | -141.1 | 97.1 | 137.6 | -145.8 | 0 | 0 | 0 | 0 | 106.8 | N1624 | N1624-S1626 PolarHBondContact O-N 3.34Š| ||
| 1627 | S | 21.1 | Very low | 27.5 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | trans | -58.9 | 149.6 | 164.9 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1628 | N | 20.3 | Very low | 29 | Very low | 144 Ų | 144 | 121.8 Ų | 121.8 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | trans | 60.1 | 81.1 | 155.6 | -56.5 | -7 | 0 | 0 | 0 | 115.4 | ||||
| 1629 | N | 21.7 | Very low | 30.4 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | trans | -162.4 | 52.6 | 147 | -90.2 | -17.4 | 0 | 0 | 0 | 108.4 | N1631 | N1629-N1631 PolarHBondContact O-N 3.14Š| ||
| 1630 | A | 28.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 119 Ų | 119 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -68 | 100.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 103.7 | L1632 | A1630-L1632 PolarHBondContact O-N 3.43Š|
| 1631 | N | 29.4 | Very low | 33.2 | Very low | 139 Ų | 139 | 118.7 Ų | 118.7 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | trans | -46 | 101.8 | -177.7 | -68 | -28.3 | 0 | 0 | 0 | 109.1 | N1629 M1633 | N1629-N1631 PolarHBondContact O-N 3.14Å; N1631-M1633 PolarHBondContact O-N 3.49Å | ||
| 1632 | L | 31 | Very low | 35.2 | Very low | 153 Ų | 153 | 114.5 Ų | 114.5 | 80% | 0.801 | 61% | 0.61 | S | S | * | * | trans | -63.7 | 79.4 | 158.9 | -88.3 | 152.2 | 0 | 0 | 0 | 104.9 | A1630 K1634 | A1630-L1632 PolarHBondContact O-N 3.43Å; L1632-K1634 VanDerWaalsContact C-N 3.25Å; L1632-K1634 PolarHBondContact O-N 3.2Å | ||
| 1633 | M | 33.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 109.2 Ų | 109.2 | 61% | 0.606 | 58% | 0.583 | S | S | * | * | trans | -61.6 | 101 | 164.7 | -89.4 | -64.7 | -135.7 | 0 | 0 | 105.5 | N1631 F1635 | N1631-M1633 PolarHBondContact O-N 3.49Å; M1633-F1635 PolarHBondContact O-N 3.23Å; M1633-F1635 VanDerWaalsContact O-N 3.16Å | ||
| 1634 | K | 38.9 | Very low | 40.1 | Very low | 137 Ų | 137 | 105.6 Ų | 105.6 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | trans | -67.5 | 107.6 | 171.4 | -166.8 | 179.8 | -179.5 | -170.8 | 0 | 105.8 | L1632 | L1632-K1634 VanDerWaalsContact C-N 3.25Å; L1632-K1634 PolarHBondContact O-N 3.2Å | ||
| 1635 | F | 46.5 | Very low | 42.9 | Very low | 30 Ų | 30 | 98.2 Ų | 98.2 | 13% | 0.132 | 52% | 0.523 | C | S | . | . | trans | -87.6 | 137.8 | -171.6 | 51.8 | -82.3 | 0 | 0 | 0 | 110.3 | I1516 M1633 I1637 N1703 S1707 D1711 | I1516-F1635 HydrophobicContact CG2-CD2 4.46Å; M1633-F1635 PolarHBondContact O-N 3.23Å; M1633-F1635 VanDerWaalsContact O-N 3.16Å; F1635-I1637 HydrophobicContact CD2-CG1 4.36Å; F1635-N1703 WeakPolarHBondContact CZ-O 3.48Å; F1635-S1707 WeakPolarHBondContact CE2-OG 3.32Å; F1635-S1707 WeakPolarHBondContact CZ-OG 3.43Å; F1635-D1711 VanDerWaalsContact O-OD2 3.09Å | ||
| 1636 | S | 50.8 | Low | 45.9 | Very low | 72 Ų | 72 | 90.5 Ų | 90.5 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | trans | -103.8 | 113.9 | -177.4 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | K1638 D1711 | S1636-K1638 PolarHBondContact O-N 3.44Å; S1636-D1711 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 1637 | I | 51.2 | Low | 48.7 | Very low | 29 Ų | 29 | 85 Ų | 85 | 15% | 0.149 | 46% | 0.458 | C | S | . | . | trans | -77.3 | 40.8 | -178.4 | -47 | 175.2 | 0 | 0 | 0 | 111.4 | F1635 V1708 D1711 Y1718 | F1635-I1637 HydrophobicContact CD2-CG1 4.36Å; I1637-V1708 HydrophobicContact CD1-CB 4.42Å; I1637-V1708 HydrophobicContact CD1-CG2 3.64Å; I1637-D1711 PolarHBondContact N-OD2 3.36Å; I1637-D1711 VanDerWaalsContact N-OD2 3.11Å; I1637-Y1718 HydrophobicContact CB-CE2 4.15Å; I1637-Y1718 HydrophobicContact CD1-CE2 4.27Å; I1637-Y1718 HydrophobicContact CG2-CE2 4.47Å | ||
| 1638 | K | 52.4 | Low | 51.6 | Low | 108 Ų | 108 | 81.3 Ų | 81.3 | 47% | 0.47 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -84.3 | -14.7 | -175.5 | -75.9 | -172.3 | 177 | 179.7 | 0 | 114.4 | S1636 K1715 | S1636-K1638 PolarHBondContact O-N 3.44Å; K1638-K1715 PolarHBondContact O-NZ 3.43Å |
| 1639 | Q | 48.8 | Very low | 54.7 | Low | 151 Ų | 151 | 74.6 Ų | 74.6 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -127 | -15.6 | -170.9 | -75.6 | -172.1 | -14.3 | 0 | 0 | 117 | ||
| 1640 | I | 49.2 | Very low | 57.6 | Low | 57 Ų | 57 | 67.7 Ų | 67.7 | 29% | 0.292 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -94.3 | 138.1 | -175.7 | -67.8 | 165.2 | 0 | 0 | 0 | 111 | I1516 E1519 S1642 | I1516-I1640 HydrophobicContact CB-CD1 4.04Å; I1516-I1640 HydrophobicContact CG1-CD1 3.6Å; I1516-I1640 HydrophobicContact CG2-CD1 4.02Å; E1519-I1640 HydrophobicContact CB-CD1 4.47Å; I1640-S1642 PolarHBondContact O-N 3.35Å |
| 1641 | E | 52.2 | Low | 60.4 | Low | 117 Ų | 117 | 63.2 Ų | 63.2 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | trans | -50.7 | 105.2 | -179.7 | -63.1 | 176.9 | 179.5 | 0 | 0 | 109.8 | T1643 | E1641-T1643 PolarHBondContact O-N 3.32Š| ||
| 1642 | S | 63.6 | Low | 63.2 | Low | 31 Ų | 31 | 56.7 Ų | 56.7 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.5 | -3.1 | -178.4 | 48.1 | 0 | 0 | 0 | 0 | 114.6 | I1640 N1646 S1717 | I1640-S1642 PolarHBondContact O-N 3.35Å; S1642-N1646 WeakPolarHBondContact O-CB 3.33Å; S1642-N1646 PolarHBondContact O-N 3.29Å; S1642-S1717 VanDerWaalsContact OG-CB 3.24Å; S1642-S1717 WeakPolarHBondContact OG-CB 3.21Å; S1642-S1717 PolarHBondContact OG-OG 3.1Å |
| 1643 | T | 69.4 | Low | 65.8 | Low | 36 Ų | 36 | 50.3 Ų | 50.3 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -77.7 | -42 | -173.1 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | T1570 L1574 E1641 N1646 A1647 | T1570-T1643 WeakPolarHBondContact CG2-OG1 3.37Å; L1574-T1643 HydrophobicContact CD1-CG2 3.56Å; E1641-T1643 PolarHBondContact O-N 3.32Å; T1643-N1646 PolarHBondContact O-N 3.22Å; T1643-A1647 WeakPolarHBondContact O-CB 3.37Å; T1643-A1647 PolarHBondContact O-N 3.48Å |
| 1644 | E | 74.7 | Confident | 68.2 | Low | 56 Ų | 56 | 44.6 Ų | 44.6 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.8 | -46.4 | -178.6 | -66.1 | -170.3 | 165.9 | 0 | 0 | 111.1 | I1512 T1570 N1646 A1647 A1648 | I1512-E1644 HydrophobicContact CD1-CB 4.45Å; T1570-E1644 HydrophobicContact CG2-CB 4.48Å; T1570-E1644 HydrophobicContact CG2-CG 3.73Å; E1644-N1646 VanDerWaalsContact C-N 3.33Å; E1644-N1646 PolarHBondContact O-N 2.8Å; E1644-A1647 WeakPolarHBondContact O-CB 3.49Å; E1644-A1647 PolarHBondContact O-N 2.89Å; E1644-A1648 PolarHBondContact O-N 3.49Å |
| 1645 | L | 80.3 | Confident | 70.5 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.9 | -177.8 | 60.4 | 0 | 0 | 0 | 111.3 | A1647 A1648 L1649 V1704 V1708 V1721 | L1645-A1647 VanDerWaalsContact C-N 3.3Å; L1645-A1647 PolarHBondContact O-N 3.4Å; L1645-A1648 PolarHBondContact O-N 3.44Å; L1645-L1649 HydrophobicContact CD1-CD1 4.44Å; L1645-L1649 HydrophobicContact CD1-CG 4.35Å; L1645-L1649 HydrophobicContact CG-CD1 4.16Å; L1645-L1649 HydrophobicContact CG-CG 4.49Å; L1645-L1649 WeakPolarHBondContact O-CB 3.34Å; L1645-L1649 VanDerWaalsContact O-CG 3.3Å; L1645-L1649 WeakPolarHBondContact O-CG 3.41Å; L1645-L1649 PolarHBondContact O-N 2.92Å; L1645-V1704 HydrophobicContact CD1-CG1 4.18Å; L1645-V1708 HydrophobicContact CD2-CG2 3.77Å; L1645-V1721 HydrophobicContact CD2-CG1 3.74Å; L1645-V1721 HydrophobicContact CG-CG1 4.08Å |
| 1646 | N | 80.9 | Confident | 72.3 | Confident | 49 Ų | 49 | 36.7 Ų | 36.7 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 176.2 | -167.5 | 39.3 | 0 | 0 | 0 | 112.4 | S1642 T1643 E1644 S1650 V1721 | S1642-N1646 WeakPolarHBondContact O-CB 3.33Å; S1642-N1646 PolarHBondContact O-N 3.29Å; T1643-N1646 PolarHBondContact O-N 3.22Å; E1644-N1646 VanDerWaalsContact C-N 3.33Å; E1644-N1646 PolarHBondContact O-N 2.8Å; N1646-S1650 VanDerWaalsContact O-CB 3.23Å; N1646-S1650 WeakPolarHBondContact O-CB 3.36Å; N1646-S1650 PolarHBondContact O-N 2.89Å; N1646-S1650 PolarHBondContact O-OG 3.12Å; N1646-V1721 HydrophobicContact CB-CG2 4.06Å |
| 1647 | A | 78.6 | Confident | 73.9 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1468 A1469 T1643 E1644 L1645 S1650 M1651 | S1468-A1647 PolarHBondContact OG-O 2.9Å; A1469-A1647 HydrophobicContact CB-CB 3.64Å; T1643-A1647 WeakPolarHBondContact O-CB 3.37Å; T1643-A1647 PolarHBondContact O-N 3.48Å; E1644-A1647 WeakPolarHBondContact O-CB 3.49Å; E1644-A1647 PolarHBondContact O-N 2.89Å; L1645-A1647 VanDerWaalsContact C-N 3.3Å; L1645-A1647 PolarHBondContact O-N 3.4Å; A1647-S1650 PolarHBondContact O-N 3.43Å; A1647-M1651 PolarHBondContact O-N 3.01Å |
| 1648 | A | 82.7 | Confident | 75.4 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1509 I1512 E1644 L1645 S1650 M1651 L1652 | I1509-A1648 HydrophobicContact CG1-CB 4Å; I1512-A1648 HydrophobicContact CD1-CB 3.8Å; E1644-A1648 PolarHBondContact O-N 3.49Å; L1645-A1648 PolarHBondContact O-N 3.44Å; A1648-S1650 VanDerWaalsContact C-N 3.35Å; A1648-M1651 WeakPolarHBondContact O-CB 3.39Å; A1648-M1651 PolarHBondContact O-N 2.94Å; A1648-L1652 PolarHBondContact O-N 3.48Å |
| 1649 | L | 84.3 | Confident | 76.6 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.3 | -33.6 | 174.4 | -68.7 | 176.2 | 0 | 0 | 0 | 112.7 | L1645 M1651 L1652 F1653 V1721 K1724 L1725 | L1645-L1649 HydrophobicContact CD1-CD1 4.44Å; L1645-L1649 HydrophobicContact CD1-CG 4.35Å; L1645-L1649 HydrophobicContact CG-CD1 4.16Å; L1645-L1649 HydrophobicContact CG-CG 4.49Å; L1645-L1649 WeakPolarHBondContact O-CB 3.34Å; L1645-L1649 VanDerWaalsContact O-CG 3.3Å; L1645-L1649 WeakPolarHBondContact O-CG 3.41Å; L1645-L1649 PolarHBondContact O-N 2.92Å; L1649-M1651 VanDerWaalsContact C-N 3.33Å; L1649-L1652 HydrophobicContact CD2-CD2 4.37Å; L1649-L1652 PolarHBondContact O-N 2.8Å; L1649-F1653 WeakPolarHBondContact O-CB 3.38Å; L1649-F1653 PolarHBondContact O-N 3.38Å; L1649-V1721 HydrophobicContact CD1-CG1 3.74Å; L1649-K1724 HydrophobicContact CB-CG 4.13Å; L1649-L1725 HydrophobicContact CD1-CB 4.07Å; L1649-L1725 HydrophobicContact CD2-CD1 3.66Å |
| 1650 | S | 83.4 | Confident | 78 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.1 | -35.4 | 174.6 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | S1468 N1646 A1647 A1648 I1654 | S1468-S1650 WeakPolarHBondContact O-CB 3.42Å; N1646-S1650 VanDerWaalsContact O-CB 3.23Å; N1646-S1650 WeakPolarHBondContact O-CB 3.36Å; N1646-S1650 PolarHBondContact O-N 2.89Å; N1646-S1650 PolarHBondContact O-OG 3.12Å; A1647-S1650 PolarHBondContact O-N 3.43Å; A1648-S1650 VanDerWaalsContact C-N 3.35Å; S1650-I1654 WeakPolarHBondContact O-CG1 3.45Å; S1650-I1654 PolarHBondContact O-N 2.91Å; S1650-I1654 VanDerWaalsContact O-N 3.17Å |
| 1651 | M | 87.4 | Confident | 79.7 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -53.7 | 167 | -179.1 | 178.3 | -63.2 | 0 | 0 | 111.2 | I1464 Q1465 L1501 C1505 A1647 A1648 L1649 F1653 I1654 L1655 | I1464-M1651 HydrophobicContact CG2-CE 3.97Å; Q1465-M1651 HydrophobicContact CB-CE 3.79Å; Q1465-M1651 HydrophobicContact CG-CE 3.25Å; Q1465-M1651 HydrophobicContact CG-SD 4.27Å; L1501-M1651 HydrophobicContact CD1-SD 4.34Å; C1505-M1651 HydrophobicContact CB-CG 4.34Å; C1505-M1651 HydrophobicContact CB-SD 3.69Å; A1647-M1651 PolarHBondContact O-N 3.01Å; A1648-M1651 WeakPolarHBondContact O-CB 3.39Å; A1648-M1651 PolarHBondContact O-N 2.94Å; L1649-M1651 VanDerWaalsContact C-N 3.33Å; M1651-F1653 PolarHBondContact O-N 3.04Å; M1651-I1654 WeakPolarHBondContact O-CB 3.38Å; M1651-I1654 PolarHBondContact O-N 3.33Å; M1651-L1655 HydrophobicContact CG-CD1 3.98Å; M1651-L1655 HydrophobicContact CG-CG 4.21Å; M1651-L1655 WeakPolarHBondContact O-CG 3.43Å; M1651-L1655 PolarHBondContact O-N 2.83Å; M1651-L1655 HydrophobicContact SD-CD1 4.45Å |
| 1652 | L | 86.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.2 | -41.7 | -179.9 | -177.4 | 64.3 | 0 | 0 | 0 | 111.3 | I1509 A1648 L1649 I1654 L1655 L1656 V1665 F1701 C1728 | I1509-L1652 HydrophobicContact CD1-CD2 4.28Å; A1648-L1652 PolarHBondContact O-N 3.48Å; L1649-L1652 HydrophobicContact CD2-CD2 4.37Å; L1649-L1652 PolarHBondContact O-N 2.8Å; L1652-I1654 PolarHBondContact O-N 3.4Å; L1652-L1655 PolarHBondContact O-N 3.27Å; L1652-L1656 HydrophobicContact CD1-CD1 4.07Å; L1652-L1656 HydrophobicContact CD1-CG 4.12Å; L1652-L1656 HydrophobicContact CD2-CD1 4.39Å; L1652-L1656 HydrophobicContact CG-CD1 3.81Å; L1652-L1656 HydrophobicContact CG-CG 4.26Å; L1652-L1656 WeakPolarHBondContact O-CB 3.47Å; L1652-L1656 VanDerWaalsContact O-CG 3.27Å; L1652-L1656 WeakPolarHBondContact O-CG 3.26Å; L1652-L1656 PolarHBondContact O-N 3.41Å; L1652-V1665 HydrophobicContact CD1-CG1 4.17Å; L1652-V1665 HydrophobicContact CD1-CG2 4.44Å; L1652-F1701 HydrophobicContact CD2-CE2 3.95Å; L1652-C1728 HydrophobicContact CD2-CB 4.08Å; L1652-C1728 HydrophobicContact CG-CB 4.42Å |
| 1653 | F | 86.1 | Confident | 82.2 | Confident | 19 Ų | 19 | 23.8 Ų | 23.8 | 8% | 0.083 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 176.1 | 179.7 | -98.4 | 0 | 0 | 0 | 113.3 | F1479 L1649 M1651 K1657 K1724 Q1727 L1731 | F1479-F1653 HydrophobicContact CZ-CD1 4.23Å; F1479-F1653 HydrophobicContact CZ-CE1 4.07Å; L1649-F1653 WeakPolarHBondContact O-CB 3.38Å; L1649-F1653 PolarHBondContact O-N 3.38Å; M1651-F1653 PolarHBondContact O-N 3.04Å; F1653-K1657 HydrophobicContact CE1-CD 4.07Å; F1653-K1657 HydrophobicContact CZ-CD 4.33Å; F1653-K1657 PolarHBondContact O-N 2.78Å; F1653-K1724 HydrophobicContact CB-CD 4.46Å; F1653-K1724 HydrophobicContact CD2-CD 4.33Å; F1653-K1724 VanDerWaalsContact CE1-NZ 3.31Å; F1653-K1724 HydrophobicContact CG-CD 4.39Å; F1653-Q1727 HydrophobicContact CD2-CB 4.27Å; F1653-Q1727 HydrophobicContact CE2-CB 4.08Å; F1653-L1731 HydrophobicContact CD2-CD1 3.61Å; F1653-L1731 HydrophobicContact CE2-CD1 3.6Å; F1653-L1731 HydrophobicContact CG-CD1 4.43Å; F1653-L1731 HydrophobicContact CZ-CD1 4.43Å |
| 1654 | I | 84.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 175.6 | -68.4 | 164.4 | 0 | 0 | 0 | 110.2 | F1479 L1482 F1483 V1486 S1650 M1651 L1652 K1657 | F1479-I1654 HydrophobicContact CD2-CD1 4.22Å; F1479-I1654 HydrophobicContact CD2-CG1 4.45Å; F1479-I1654 HydrophobicContact CE2-CD1 3.71Å; F1479-I1654 HydrophobicContact CE2-CG1 3.51Å; F1479-I1654 HydrophobicContact CZ-CG1 3.94Å; L1482-I1654 HydrophobicContact CD2-CD1 3.62Å; L1482-I1654 HydrophobicContact CG-CD1 4.42Å; F1483-I1654 HydrophobicContact CD2-CG2 4.2Å; V1486-I1654 HydrophobicContact CB-CG2 4.25Å; V1486-I1654 HydrophobicContact CG1-CG2 4.21Å; V1486-I1654 HydrophobicContact CG2-CG2 4.25Å; S1650-I1654 WeakPolarHBondContact O-CG1 3.45Å; S1650-I1654 PolarHBondContact O-N 2.91Å; S1650-I1654 VanDerWaalsContact O-N 3.17Å; M1651-I1654 WeakPolarHBondContact O-CB 3.38Å; M1651-I1654 PolarHBondContact O-N 3.33Å; L1652-I1654 PolarHBondContact O-N 3.4Å; I1654-K1657 PolarHBondContact O-N 3.25Å |
| 1655 | L | 86.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | -179.2 | -63.7 | -179.4 | 0 | 0 | 0 | 111.7 | V1486 L1501 C1505 M1651 L1652 K1657 I1658 Y1661 | V1486-L1655 HydrophobicContact CG1-CD2 4.14Å; L1501-L1655 HydrophobicContact CD2-CD2 3.64Å; L1501-L1655 HydrophobicContact CG-CD1 4.45Å; L1501-L1655 HydrophobicContact CG-CD2 4.04Å; C1505-L1655 HydrophobicContact CB-CD1 3.74Å; M1651-L1655 HydrophobicContact CG-CD1 3.98Å; M1651-L1655 HydrophobicContact CG-CG 4.21Å; M1651-L1655 WeakPolarHBondContact O-CG 3.43Å; M1651-L1655 PolarHBondContact O-N 2.83Å; M1651-L1655 HydrophobicContact SD-CD1 4.45Å; L1652-L1655 PolarHBondContact O-N 3.27Å; L1655-K1657 VanDerWaalsContact C-N 3.28Å; L1655-K1657 PolarHBondContact O-N 3Å; L1655-I1658 PolarHBondContact O-N 3.39Å; L1655-I1658 VanDerWaalsContact O-N 3.12Å; L1655-I1658 VanDerWaalsContact O-O 3.09Å; L1655-Y1661 HydrophobicContact CB-CG 4.5Å; L1655-Y1661 HydrophobicContact CD2-CD1 3.56Å; L1655-Y1661 HydrophobicContact CD2-CD2 4.22Å; L1655-Y1661 HydrophobicContact CD2-CE1 3.89Å; L1655-Y1661 HydrophobicContact CD2-CG 3.75Å; L1655-Y1661 WeakPolarHBondContact O-CB 3.47Å |
| 1656 | L | 85.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.4 | -23.1 | -177.7 | -69.7 | 174.1 | 0 | 0 | 0 | 114 | L1652 I1658 R1662 V1665 C1728 L1731 L1732 | L1652-L1656 HydrophobicContact CD1-CD1 4.07Å; L1652-L1656 HydrophobicContact CD1-CG 4.12Å; L1652-L1656 HydrophobicContact CD2-CD1 4.39Å; L1652-L1656 HydrophobicContact CG-CD1 3.81Å; L1652-L1656 HydrophobicContact CG-CG 4.26Å; L1652-L1656 WeakPolarHBondContact O-CB 3.47Å; L1652-L1656 VanDerWaalsContact O-CG 3.27Å; L1652-L1656 WeakPolarHBondContact O-CG 3.26Å; L1652-L1656 PolarHBondContact O-N 3.41Å; L1656-I1658 PolarHBondContact O-N 3.04Å; L1656-R1662 HydrophobicContact CD2-CB 4.3Å; L1656-R1662 HydrophobicContact CD2-CG 4.05Å; L1656-V1665 HydrophobicContact CD2-CB 4.28Å; L1656-V1665 HydrophobicContact CD2-CG1 4.1Å; L1656-C1728 HydrophobicContact CD1-CB 3.9Å; L1656-C1728 VanDerWaalsContact CD1-O 3.28Å; L1656-C1728 WeakPolarHBondContact CD1-O 3.3Å; L1656-L1731 HydrophobicContact CB-CB 3.92Å; L1656-L1731 HydrophobicContact CB-CD1 4.37Å; L1656-L1731 HydrophobicContact CD1-CB 4.49Å; L1656-L1732 HydrophobicContact CD1-CB 4.17Å; L1656-L1732 HydrophobicContact CD1-CD1 4.37Å; L1656-L1732 HydrophobicContact CD2-CB 4.39Å; L1656-L1732 HydrophobicContact CD2-CD1 4.06Å |
| 1657 | K | 82.8 | Confident | 83.2 | Confident | 81 Ų | 81 | 21 Ų | 21 | 35% | 0.352 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20 | 172.7 | -83.3 | -169.7 | 167.8 | -169.4 | 0 | 113.3 | F1483 F1653 I1654 L1655 L1731 | F1483-K1657 HydrophobicContact CE2-CB 3.64Å; F1483-K1657 HydrophobicContact CE2-CD 4.08Å; F1483-K1657 HydrophobicContact CZ-CB 4.23Å; F1653-K1657 HydrophobicContact CE1-CD 4.07Å; F1653-K1657 HydrophobicContact CZ-CD 4.33Å; F1653-K1657 PolarHBondContact O-N 2.78Å; I1654-K1657 PolarHBondContact O-N 3.25Å; L1655-K1657 VanDerWaalsContact C-N 3.28Å; L1655-K1657 PolarHBondContact O-N 3Å; K1657-L1731 HydrophobicContact CG-CD1 3.8Å; K1657-L1731 HydrophobicContact CG-CD2 4.48Å |
| 1658 | I | 82.9 | Confident | 83.2 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.046 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -103.4 | 122.6 | -178.5 | -61.2 | 163.3 | 0 | 0 | 0 | 108.8 | F1483 V1486 E1487 A1490 L1655 L1656 L1660 Y1661 R1662 | F1483-I1658 HydrophobicContact CE2-CD1 4.14Å; F1483-I1658 HydrophobicContact CE2-CG1 3.82Å; F1483-I1658 HydrophobicContact CZ-CG1 3.95Å; V1486-I1658 HydrophobicContact CB-CD1 4.13Å; V1486-I1658 HydrophobicContact CG1-CD1 3.65Å; E1487-I1658 HydrophobicContact CB-CD1 4.13Å; A1490-I1658 HydrophobicContact CB-CG2 4.3Å; L1655-I1658 PolarHBondContact O-N 3.39Å; L1655-I1658 VanDerWaalsContact O-N 3.12Å; L1655-I1658 VanDerWaalsContact O-O 3.09Å; L1656-I1658 PolarHBondContact O-N 3.04Å; I1658-L1660 PolarHBondContact O-N 3.47Å; I1658-Y1661 HydrophobicContact CB-CD2 3.92Å; I1658-Y1661 HydrophobicContact CD1-CD2 4Å; I1658-Y1661 HydrophobicContact CD1-CE2 4.24Å; I1658-Y1661 HydrophobicContact CG2-CD2 3.78Å; I1658-Y1661 HydrophobicContact CG2-CE2 4.48Å; I1658-Y1661 PolarHBondContact O-N 3.1Å; I1658-R1662 PolarHBondContact O-N 3.45Å |
| 1659 | P | 77.6 | Confident | 83 | Confident | 51 Ų | 51 | 21 Ų | 21 | 33% | 0.331 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -55.5 | -42.8 | -172.3 | -28.4 | 34.3 | 0 | 0 | 0 | 115 | R1662 Y1663 | P1659-R1662 PolarHBondContact O-N 3.39Å; P1659-Y1663 PolarHBondContact O-N 2.65Å |
| 1660 | L | 78.4 | Confident | 82.6 | Confident | 74 Ų | 74 | 23.4 Ų | 23.4 | 39% | 0.387 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.3 | -44.2 | -179.9 | -79.5 | 154.8 | 0 | 0 | 0 | 112.6 | A1490 V1498 I1658 Y1663 A1664 | A1490-L1660 HydrophobicContact CB-CB 4.43Å; A1490-L1660 HydrophobicContact CB-CD1 4.24Å; V1498-L1660 HydrophobicContact CG1-CB 4.48Å; V1498-L1660 WeakPolarHBondContact CG1-O 3.48Å; I1658-L1660 PolarHBondContact O-N 3.47Å; L1660-Y1663 PolarHBondContact O-N 3.25Å; L1660-A1664 PolarHBondContact O-N 2.9Å |
| 1661 | Y | 85.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.9 | -37.5 | 176.5 | -76.4 | -74.4 | 0 | 0 | 0 | 111.7 | V1486 A1490 V1498 L1501 L1655 I1658 A1664 V1665 | V1486-Y1661 HydrophobicContact CG1-CD2 4.03Å; V1486-Y1661 HydrophobicContact CG1-CE2 3.38Å; V1486-Y1661 WeakPolarHBondContact O-CE2 3.36Å; A1490-Y1661 HydrophobicContact CB-CD2 3.9Å; A1490-Y1661 HydrophobicContact CB-CE2 3.35Å; V1498-Y1661 HydrophobicContact CB-CD1 4.04Å; V1498-Y1661 HydrophobicContact CB-CE1 3.95Å; V1498-Y1661 HydrophobicContact CG1-CD1 3.57Å; V1498-Y1661 HydrophobicContact CG1-CE1 4.01Å; V1498-Y1661 HydrophobicContact CG1-CG 3.97Å; V1498-Y1661 HydrophobicContact CG2-CD1 4.11Å; V1498-Y1661 HydrophobicContact CG2-CE1 3.76Å; V1498-Y1661 HydrophobicContact CG2-CE2 4.25Å; L1501-Y1661 HydrophobicContact CB-CE1 4.03Å; L1501-Y1661 HydrophobicContact CD2-CD1 4.46Å; L1501-Y1661 HydrophobicContact CD2-CE1 3.61Å; L1501-Y1661 HydrophobicContact CG-CE1 4.25Å; L1655-Y1661 HydrophobicContact CB-CG 4.5Å; L1655-Y1661 HydrophobicContact CD2-CD1 3.56Å; L1655-Y1661 HydrophobicContact CD2-CD2 4.22Å; L1655-Y1661 HydrophobicContact CD2-CE1 3.89Å; L1655-Y1661 HydrophobicContact CD2-CG 3.75Å; L1655-Y1661 WeakPolarHBondContact O-CB 3.47Å; I1658-Y1661 HydrophobicContact CB-CD2 3.92Å; I1658-Y1661 HydrophobicContact CD1-CD2 4Å; I1658-Y1661 HydrophobicContact CD1-CE2 4.24Å; I1658-Y1661 HydrophobicContact CG2-CD2 3.78Å; I1658-Y1661 HydrophobicContact CG2-CE2 4.48Å; I1658-Y1661 PolarHBondContact O-N 3.1Å; Y1661-A1664 PolarHBondContact O-N 3.36Å; Y1661-V1665 VanDerWaalsContact O-CG2 3.31Å; Y1661-V1665 WeakPolarHBondContact O-CG2 3.23Å; Y1661-V1665 PolarHBondContact O-N 3.32Å |
| 1662 | R | 87.3 | Confident | 79.4 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 173.1 | 177.4 | 173.7 | 166.8 | -170.4 | -10.8 | 112 | L1656 I1658 P1659 A1664 V1665 L1666 L1731 L1732 V1733 D1734 N1770 | L1656-R1662 HydrophobicContact CD2-CB 4.3Å; L1656-R1662 HydrophobicContact CD2-CG 4.05Å; I1658-R1662 PolarHBondContact O-N 3.45Å; P1659-R1662 PolarHBondContact O-N 3.39Å; R1662-A1664 VanDerWaalsContact C-N 3.29Å; R1662-A1664 PolarHBondContact O-N 2.83Å; R1662-V1665 PolarHBondContact O-N 3.05Å; R1662-L1666 HydrophobicContact CG-CD1 4.12Å; R1662-L1666 HydrophobicContact CG-CG 4.41Å; R1662-L1666 WeakPolarHBondContact O-CG 3.48Å; R1662-L1666 PolarHBondContact O-N 3.32Å; R1662-L1731 PolarHBondContact NE-O 2.97Å; R1662-L1731 PolarHBondContact NH1-O 3.03Å; R1662-L1732 PolarHBondContact NE-O 3.33Å; R1662-L1732 PolarHBondContact NH2-O 3.3Å; R1662-V1733 PolarHBondContact NH2-O 3.22Å; R1662-D1734 PolarHBondContact NH1-O 3.17Å; R1662-D1734 PolarHBondContact NH2-O 3.01Å; R1662-N1770 PolarHBondContact NH2-O 3.38Å |
| 1663 | Y | 80.4 | Confident | 76.9 | Confident | 77 Ų | 77 | 37.8 Ų | 37.8 | 30% | 0.302 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -56 | -45.2 | 175.7 | 176.4 | -96 | 0 | 0 | 0 | 111.5 | L1495 P1659 L1660 L1666 D1667 R1670 D1769 | L1495-Y1663 HydrophobicContact CD1-CD1 4.41Å; P1659-Y1663 PolarHBondContact O-N 2.65Å; L1660-Y1663 PolarHBondContact O-N 3.25Å; Y1663-L1666 PolarHBondContact O-N 2.98Å; Y1663-D1667 WeakPolarHBondContact O-CB 3.46Å; Y1663-D1667 PolarHBondContact O-N 3.03Å; Y1663-R1670 PolarHBondContact OH-NH2 3.08Å; Y1663-D1769 HydrophobicContact CD2-CB 4.43Å; Y1663-D1769 HydrophobicContact CE2-CB 4.02Å |
| 1664 | A | 81.6 | Confident | 74.1 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 5% | 0.05 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.5 | -35.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1498 A1502 L1660 Y1661 R1662 D1667 A1668 | V1498-A1664 HydrophobicContact CG1-CB 3.64Å; A1502-A1664 HydrophobicContact CB-CB 4.07Å; L1660-A1664 PolarHBondContact O-N 2.9Å; Y1661-A1664 PolarHBondContact O-N 3.36Å; R1662-A1664 VanDerWaalsContact C-N 3.29Å; R1662-A1664 PolarHBondContact O-N 2.83Å; A1664-D1667 PolarHBondContact O-N 3.34Å; A1664-A1668 WeakPolarHBondContact O-CB 3.4Å; A1664-A1668 PolarHBondContact O-N 2.91Å |
| 1665 | V | 84.6 | Confident | 71.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 172.9 | 171 | 0 | 0 | 0 | 0 | 110.4 | A1502 L1652 L1656 Y1661 R1662 A1668 L1669 L1732 | A1502-V1665 HydrophobicContact CB-CG2 3.76Å; L1652-V1665 HydrophobicContact CD1-CG1 4.17Å; L1652-V1665 HydrophobicContact CD1-CG2 4.44Å; L1656-V1665 HydrophobicContact CD2-CB 4.28Å; L1656-V1665 HydrophobicContact CD2-CG1 4.1Å; Y1661-V1665 VanDerWaalsContact O-CG2 3.31Å; Y1661-V1665 WeakPolarHBondContact O-CG2 3.23Å; Y1661-V1665 PolarHBondContact O-N 3.32Å; R1662-V1665 PolarHBondContact O-N 3.05Å; V1665-A1668 PolarHBondContact O-N 2.75Å; V1665-L1669 HydrophobicContact CG1-CD1 4.1Å; V1665-L1669 VanDerWaalsContact O-CG 3.32Å; V1665-L1669 WeakPolarHBondContact O-CG 3.47Å; V1665-L1669 PolarHBondContact O-N 2.96Å; V1665-L1732 HydrophobicContact CG1-CD1 4.31Å |
| 1666 | L | 81.1 | Confident | 68.3 | Low | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 174.8 | -70.4 | 173.3 | 0 | 0 | 0 | 110.5 | R1662 Y1663 A1668 L1669 R1670 L1732 N1770 P1772 | R1662-L1666 HydrophobicContact CG-CD1 4.12Å; R1662-L1666 HydrophobicContact CG-CG 4.41Å; R1662-L1666 WeakPolarHBondContact O-CG 3.48Å; R1662-L1666 PolarHBondContact O-N 3.32Å; Y1663-L1666 PolarHBondContact O-N 2.98Å; L1666-A1668 VanDerWaalsContact C-N 3.33Å; L1666-A1668 PolarHBondContact O-N 2.83Å; L1666-L1669 CarbonylContact O-C 3.49Å; L1666-L1669 WeakPolarHBondContact O-CA 3.16Å; L1666-L1669 PolarHBondContact O-N 3.21Å; L1666-R1670 WeakPolarHBondContact O-CG 3.24Å; L1666-R1670 PolarHBondContact O-N 3.41Å; L1666-L1732 HydrophobicContact CD2-CD1 4.44Å; L1666-L1732 HydrophobicContact CD2-CG 4.1Å; L1666-N1770 WeakPolarHBondContact CD1-O 3.35Å; L1666-P1772 HydrophobicContact CD2-CB 4.24Å; L1666-P1772 HydrophobicContact CD2-CG 3.73Å |
| 1667 | D | 78.9 | Confident | 65.4 | Low | 85 Ų | 85 | 65.9 Ų | 65.9 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 178.7 | -164.4 | 50.2 | 0 | 0 | 0 | 112.9 | Y1663 A1664 L1669 R1670 | Y1663-D1667 WeakPolarHBondContact O-CB 3.46Å; Y1663-D1667 PolarHBondContact O-N 3.03Å; A1664-D1667 PolarHBondContact O-N 3.34Å; D1667-L1669 PolarHBondContact O-N 3.47Å; D1667-R1670 PolarHBondContact O-N 3.2Å; D1667-R1670 IonicContact OD1-CZ 2.7Å; D1667-R1670 IonicContact OD1-NE 3.56Å; D1667-R1670 PolarHBondContact OD1-NE 2.92Å; D1667-R1670 IonicContact OD1-NH2 3.12Å; D1667-R1670 PolarHBondContact OD1-NH2 3.47Å |
| 1668 | A | 78.3 | Confident | 62.6 | Low | 13 Ų | 13 | 67.8 Ų | 67.8 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.4 | -23.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1506 A1664 V1665 L1666 | L1506-A1668 HydrophobicContact CD1-CB 3.64Å; A1664-A1668 WeakPolarHBondContact O-CB 3.4Å; A1664-A1668 PolarHBondContact O-N 2.91Å; V1665-A1668 PolarHBondContact O-N 2.75Å; L1666-A1668 VanDerWaalsContact C-N 3.33Å; L1666-A1668 PolarHBondContact O-N 2.83Å |
| 1669 | L | 79.4 | Confident | 59.7 | Low | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -93.3 | -10.3 | 177.1 | -68.3 | 173.1 | 0 | 0 | 0 | 113.5 | L1506 V1665 L1666 D1667 R1698 F1701 L1732 L1776 | L1506-L1669 HydrophobicContact CD1-CD2 4.18Å; L1506-L1669 HydrophobicContact CD1-CG 4.22Å; L1506-L1669 HydrophobicContact CD2-CD2 4.26Å; V1665-L1669 HydrophobicContact CG1-CD1 4.1Å; V1665-L1669 VanDerWaalsContact O-CG 3.32Å; V1665-L1669 WeakPolarHBondContact O-CG 3.47Å; V1665-L1669 PolarHBondContact O-N 2.96Å; L1666-L1669 CarbonylContact O-C 3.49Å; L1666-L1669 WeakPolarHBondContact O-CA 3.16Å; L1666-L1669 PolarHBondContact O-N 3.21Å; D1667-L1669 PolarHBondContact O-N 3.47Å; L1669-R1698 HydrophobicContact CD2-CB 4.44Å; L1669-F1701 HydrophobicContact CD1-CD1 4.47Å; L1669-F1701 HydrophobicContact CD2-CB 4.11Å; L1669-F1701 HydrophobicContact CD2-CD1 4.36Å; L1669-F1701 HydrophobicContact CD2-CG 4.3Å; L1669-L1732 HydrophobicContact CD1-CD1 4.2Å; L1669-L1776 HydrophobicContact CB-CD2 3.95Å; L1669-L1776 HydrophobicContact CD1-CD2 4.26Å |
| 1670 | R | 75.5 | Confident | 57.2 | Low | 54 Ų | 54 | 80.1 Ų | 80.1 | 20% | 0.204 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -68 | 145.3 | -179.9 | -73.7 | -165.6 | -86.4 | -137.7 | -1.6 | 112.7 | Y1663 L1666 D1667 Q1672 D1769 D1773 | Y1663-R1670 PolarHBondContact OH-NH2 3.08Å; L1666-R1670 WeakPolarHBondContact O-CG 3.24Å; L1666-R1670 PolarHBondContact O-N 3.41Å; D1667-R1670 PolarHBondContact O-N 3.2Å; D1667-R1670 IonicContact OD1-CZ 2.7Å; D1667-R1670 IonicContact OD1-NE 3.56Å; D1667-R1670 PolarHBondContact OD1-NE 2.92Å; D1667-R1670 IonicContact OD1-NH2 3.12Å; D1667-R1670 PolarHBondContact OD1-NH2 3.47Å; R1670-Q1672 PolarHBondContact O-N 3.29Å; R1670-D1769 IonicContact NH1-OD1 3.5Å; R1670-D1769 PolarHBondContact NH1-OD1 3.21Å; R1670-D1773 VanDerWaalsContact CA-OD2 3.28Å; R1670-D1773 WeakPolarHBondContact CA-OD2 3.3Å; R1670-D1773 WeakPolarHBondContact CG-OD1 3.36Å |
| 1671 | H | 57.3 | Low | 54.7 | Low | 85 Ų | 85 | 82.3 Ų | 82.3 | 39% | 0.394 | 44% | 0.437 | S | S | . | . | trans | -87.7 | 102.2 | -179 | -174.9 | -62.4 | 0 | 0 | 0 | 110.9 | S1673 N1695 D1773 | H1671-S1673 PolarHBondContact O-N 3.1Å; H1671-S1673 VanDerWaalsContact O-N 3.08Å; H1671-N1695 PolarHBondContact CD2-OD1 2.89Å; H1671-D1773 PolarHBondContact N-OD2 2.9Å | ||
| 1672 | Q | 46.4 | Very low | 51.8 | Low | 153 Ų | 153 | 91.7 Ų | 91.7 | 72% | 0.715 | 48% | 0.478 | S | S | * | . | trans | -69.7 | 106.9 | 168.5 | -82.8 | -176.1 | -2.1 | 0 | 0 | 110.3 | R1670 V1674 | R1670-Q1672 PolarHBondContact O-N 3.29Å; Q1672-V1674 PolarHBondContact O-N 3.46Å | ||
| 1673 | S | 34.3 | Very low | 48.9 | Very low | 74 Ų | 74 | 99.3 Ų | 99.3 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | trans | -73.4 | 119.6 | 174.2 | 65.6 | 0 | 0 | 0 | 0 | 111 | H1671 N1675 | H1671-S1673 PolarHBondContact O-N 3.1Å; H1671-S1673 VanDerWaalsContact O-N 3.08Å; S1673-N1675 PolarHBondContact O-N 3.36Å | ||
| 1674 | V | 27.4 | Very low | 46.2 | Very low | 113 Ų | 113 | 100.2 Ų | 100.2 | 69% | 0.685 | 54% | 0.542 | S | S | * | . | trans | -68.8 | 96.6 | 167.9 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | Q1672 H1676 | Q1672-V1674 PolarHBondContact O-N 3.46Å; V1674-H1676 PolarHBondContact O-N 3.2Å | ||
| 1675 | N | 25.6 | Very low | 43.4 | Very low | 143 Ų | 143 | 105 Ų | 105 | 77% | 0.765 | 58% | 0.581 | S | S | * | * | trans | -81.1 | 92.4 | 167.1 | -96.4 | -13.5 | 0 | 0 | 0 | 109.4 | S1673 Q1677 | S1673-N1675 PolarHBondContact O-N 3.36Å; N1675-Q1677 PolarHBondContact O-N 3.37Å | ||
| 1676 | H | 23.2 | Very low | 40.6 | Very low | 164 Ų | 164 | 109.8 Ų | 109.8 | 76% | 0.759 | 62% | 0.615 | S | S | * | * | trans | -66.4 | 114.3 | 155.2 | -78.4 | -73 | 0 | 0 | 0 | 108.9 | V1674 | V1674-H1676 PolarHBondContact O-N 3.2Š| ||
| 1677 | Q | 23.8 | Very low | 37.7 | Very low | 194 Ų | 194 | 115 Ų | 115 | 91% | 0.907 | 65% | 0.652 | S | S | * | * | trans | 179.3 | 83.9 | 144.9 | -100.1 | 171.2 | 41.3 | 0 | 0 | 110 | N1675 | N1675-Q1677 PolarHBondContact O-N 3.37Š| ||
| 1678 | S | 24.8 | Very low | 35.3 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 85% | 0.846 | 67% | 0.666 | S | S | * | * | trans | -140.6 | 98.6 | 143.1 | 54.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1679 | E | 22.9 | Very low | 32.7 | Very low | 169 Ų | 169 | 125.1 Ų | 125.1 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | -63.9 | 144.5 | 161.8 | -68.6 | -178.8 | 150.1 | 0 | 0 | 108.8 | ||||
| 1680 | N | 24.6 | Very low | 30.5 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | 80 | 78.5 | 161 | -54.3 | -35.3 | 0 | 0 | 0 | 117.7 | ||||
| 1681 | S | 24.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | -157.3 | 119.3 | 113.5 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | D1683 | S1681-D1683 PolarHBondContact O-N 2.77Š| |||
| 1682 | K | 25.1 | Very low | 27.9 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -65.9 | 122.3 | 165.6 | -66.2 | 168.1 | 175.8 | 174.1 | 0 | 106.4 | ||||
| 1683 | D | 26.4 | Very low | 28.2 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | 179 | 145.7 | 135.8 | -85.4 | -25 | 0 | 0 | 0 | 111.2 | S1681 | S1681-D1683 PolarHBondContact O-N 2.77Š| ||
| 1684 | A | 25 | Very low | 29.3 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | trans | 72.9 | 101.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | S1686 | A1684-S1686 PolarHBondContact O-N 3.35Š| ||
| 1685 | A | 23.2 | Very low | 31.1 | Very low | 107 Ų | 107 | 123 Ų | 123 | 88% | 0.884 | 73% | 0.725 | S | S | * | * | trans | -65.7 | 115.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1686 | S | 24.4 | Very low | 33.5 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -164.3 | 105.1 | 147.6 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | A1684 | A1684-S1686 PolarHBondContact O-N 3.35Š| ||
| 1687 | S | 21.3 | Very low | 36.1 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | trans | 19.6 | 114.4 | 157.6 | 56.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1688 | P | 28.2 | Very low | 38.9 | Very low | 116 Ų | 116 | 106 Ų | 106 | 75% | 0.753 | 64% | 0.641 | S | S | * | * | trans | -114.5 | 114.1 | 145.3 | 32.1 | -18.7 | 0 | 0 | 0 | 109.6 | P1690 | P1688-P1690 WeakPolarHBondContact O-CD 3.31Š| ||
| 1689 | E | 24.1 | Very low | 41.4 | Very low | 194 Ų | 194 | 104.7 Ų | 104.7 | 91% | 0.907 | 62% | 0.622 | S | S | * | * | trans | -74.3 | 116.2 | 163 | -73.1 | 179.4 | 161.5 | 0 | 0 | 108.1 | ||||
| 1690 | P | 31.5 | Very low | 44.2 | Very low | 103 Ų | 103 | 97.8 Ų | 97.8 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | trans | -98.7 | 107.4 | -174.5 | 33.1 | -23.7 | 0 | 0 | 0 | 112.1 | P1688 S1692 | P1688-P1690 WeakPolarHBondContact O-CD 3.31Å; P1690-S1692 PolarHBondContact O-N 3.26Å | ||
| 1691 | S | 29.9 | Very low | 47.1 | Very low | 97 Ų | 97 | 91 Ų | 91 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | trans | 27.1 | 61.3 | 130.1 | 61.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1692 | S | 48.3 | Very low | 49.8 | Very low | 80 Ų | 80 | 85.8 Ų | 85.8 | 56% | 0.559 | 52% | 0.516 | S | S | * | . | trans | -95.3 | -2.2 | 174.3 | 63.1 | 0 | 0 | 0 | 0 | 115 | P1690 I1696 | P1690-S1692 PolarHBondContact O-N 3.26Å; S1692-I1696 VanDerWaalsContact O-CD1 3.25Å; S1692-I1696 WeakPolarHBondContact O-CD1 3.35Å; S1692-I1696 WeakPolarHBondContact O-CG1 3.46Å | ||
| 1693 | S | 53.8 | Low | 52.4 | Low | 67 Ų | 67 | 78 Ų | 78 | 47% | 0.469 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.2 | -41.4 | -165.5 | 56.2 | 0 | 0 | 0 | 0 | 115.3 | N1695 I1696 R1697 | S1693-N1695 PolarHBondContact O-N 3.01Å; S1693-I1696 PolarHBondContact O-N 2.71Å; S1693-R1697 PolarHBondContact O-N 2.95Å; S1693-R1697 VanDerWaalsContact O-N 3.09Å |
| 1694 | G | 56.8 | Low | 55 | Low | 23 Ų | 23 | 70.9 Ų | 70.9 | 24% | 0.237 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1696 R1697 R1698 | G1694-I1696 VanDerWaalsContact C-N 3.29Å; G1694-I1696 PolarHBondContact O-N 2.92Å; G1694-R1697 PolarHBondContact O-N 3.14Å; G1694-R1698 PolarHBondContact O-N 2.74Å; G1694-R1698 VanDerWaalsContact O-N 3.08Å |
| 1695 | N | 66.7 | Low | 57.8 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 35% | 0.348 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 177.5 | -75.4 | -24.5 | 0 | 0 | 0 | 112.4 | H1671 S1693 Q1699 | H1671-N1695 PolarHBondContact CD2-OD1 2.89Å; S1693-N1695 PolarHBondContact O-N 3.01Å; N1695-Q1699 WeakPolarHBondContact O-CB 3.49Å; N1695-Q1699 VanDerWaalsContact O-CG 3.22Å; N1695-Q1699 WeakPolarHBondContact O-CG 3.27Å; N1695-Q1699 PolarHBondContact O-N 2.83Å; N1695-Q1699 VanDerWaalsContact O-N 3.1Å |
| 1696 | I | 74.3 | Confident | 60.6 | Low | 87 Ų | 87 | 63.5 Ų | 63.5 | 45% | 0.446 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 177.6 | -66.2 | 162.4 | 0 | 0 | 0 | 110.2 | S1692 S1693 G1694 Q1699 N1700 | S1692-I1696 VanDerWaalsContact O-CD1 3.25Å; S1692-I1696 WeakPolarHBondContact O-CD1 3.35Å; S1692-I1696 WeakPolarHBondContact O-CG1 3.46Å; S1693-I1696 PolarHBondContact O-N 2.71Å; G1694-I1696 VanDerWaalsContact C-N 3.29Å; G1694-I1696 PolarHBondContact O-N 2.92Å; I1696-Q1699 PolarHBondContact O-N 3.43Å; I1696-N1700 WeakPolarHBondContact O-CB 3.39Å; I1696-N1700 PolarHBondContact O-N 3.43Å; I1696-N1700 PolarHBondContact O-ND2 3.23Å; I1696-N1700 PolarHBondContact O-OD1 3.34Å |
| 1697 | R | 79.3 | Confident | 63.1 | Low | 45 Ų | 45 | 58.9 Ų | 58.9 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 177.1 | -73.4 | -179.9 | -179.3 | 151.5 | -2.9 | 112.6 | N1503 D1507 S1693 G1694 Q1699 N1700 F1701 | N1503-R1697 PolarHBondContact OD1-NH1 3.07Å; D1507-R1697 IonicContact OD1-CZ 3.08Å; D1507-R1697 IonicContact OD1-NE 3.92Å; D1507-R1697 PolarHBondContact OD1-NE 3.32Å; D1507-R1697 IonicContact OD1-NH2 3.47Å; D1507-R1697 PolarHBondContact OD1-NH2 3.43Å; D1507-R1697 IonicContact OD2-CZ 2.82Å; D1507-R1697 IonicContact OD2-NE 3.4Å; D1507-R1697 IonicContact OD2-NH2 3.98Å; D1507-R1697 PolarHBondContact OD2-NH2 3.17Å; S1693-R1697 PolarHBondContact O-N 2.95Å; S1693-R1697 VanDerWaalsContact O-N 3.09Å; G1694-R1697 PolarHBondContact O-N 3.14Å; R1697-Q1699 PolarHBondContact O-N 2.88Å; R1697-N1700 WeakPolarHBondContact O-CB 3.18Å; R1697-N1700 PolarHBondContact O-N 2.97Å; R1697-F1701 WeakPolarHBondContact O-CB 3.36Å; R1697-F1701 PolarHBondContact O-N 2.81Å |
| 1698 | R | 81 | Confident | 65.9 | Low | 13 Ų | 13 | 53.5 Ų | 53.5 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 176.1 | 176.2 | -179.6 | 160.3 | -165.8 | -8 | 111.6 | L1669 G1694 N1700 F1701 L1702 L1776 E1779 | L1669-R1698 HydrophobicContact CD2-CB 4.44Å; G1694-R1698 PolarHBondContact O-N 2.74Å; G1694-R1698 VanDerWaalsContact O-N 3.08Å; R1698-N1700 VanDerWaalsContact C-N 3.32Å; R1698-N1700 PolarHBondContact O-N 3.49Å; R1698-F1701 PolarHBondContact O-N 3.21Å; R1698-L1702 HydrophobicContact CG-CD1 3.91Å; R1698-L1702 WeakPolarHBondContact O-CB 3.49Å; R1698-L1702 PolarHBondContact O-N 3.46Å; R1698-L1776 HydrophobicContact CG-CD1 4.19Å; R1698-E1779 IonicContact CZ-OE2 4Å; R1698-E1779 IonicContact NE-OE2 2.67Å; R1698-E1779 IonicContact NH2-OE1 3.95Å; R1698-E1779 PolarHBondContact NH2-OE1 3.26Å; R1698-E1779 IonicContact NH2-OE2 3.14Å; R1698-E1779 PolarHBondContact NH2-OE2 3.31Å |
| 1699 | Q | 78.1 | Confident | 68.2 | Low | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 178.1 | -73.6 | -71.4 | -26.2 | 0 | 0 | 111.5 | N1695 I1696 R1697 N1703 | N1695-Q1699 WeakPolarHBondContact O-CB 3.49Å; N1695-Q1699 VanDerWaalsContact O-CG 3.22Å; N1695-Q1699 WeakPolarHBondContact O-CG 3.27Å; N1695-Q1699 PolarHBondContact O-N 2.83Å; N1695-Q1699 VanDerWaalsContact O-N 3.1Å; I1696-Q1699 PolarHBondContact O-N 3.43Å; R1697-Q1699 PolarHBondContact O-N 2.88Å; Q1699-N1703 VanDerWaalsContact O-CB 3.32Å; Q1699-N1703 WeakPolarHBondContact O-CB 3.36Å; Q1699-N1703 PolarHBondContact O-N 3.24Å; Q1699-N1703 PolarHBondContact O-ND2 3.04Å |
| 1700 | N | 81.8 | Confident | 70.6 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | 175.9 | -70.4 | -14.5 | 0 | 0 | 0 | 111.7 | R1513 I1696 R1697 R1698 N1703 V1704 | R1513-N1700 PolarHBondContact NH1-OD1 2.95Å; I1696-N1700 WeakPolarHBondContact O-CB 3.39Å; I1696-N1700 PolarHBondContact O-N 3.43Å; I1696-N1700 PolarHBondContact O-ND2 3.23Å; I1696-N1700 PolarHBondContact O-OD1 3.34Å; R1697-N1700 WeakPolarHBondContact O-CB 3.18Å; R1697-N1700 PolarHBondContact O-N 2.97Å; R1698-N1700 VanDerWaalsContact C-N 3.32Å; R1698-N1700 PolarHBondContact O-N 3.49Å; N1700-N1703 PolarHBondContact O-N 3.19Å; N1700-V1704 WeakPolarHBondContact O-CG2 3.36Å; N1700-V1704 PolarHBondContact O-N 3.24Å |
| 1701 | F | 84.7 | Confident | 72.3 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -50.2 | 178 | 179 | -103.4 | 0 | 0 | 0 | 111.5 | L1506 L1652 L1669 R1697 R1698 N1703 V1704 V1705 L1729 L1780 | L1506-F1701 HydrophobicContact CD2-CD2 4.29Å; L1652-F1701 HydrophobicContact CD2-CE2 3.95Å; L1669-F1701 HydrophobicContact CD1-CD1 4.47Å; L1669-F1701 HydrophobicContact CD2-CB 4.11Å; L1669-F1701 HydrophobicContact CD2-CD1 4.36Å; L1669-F1701 HydrophobicContact CD2-CG 4.3Å; R1697-F1701 WeakPolarHBondContact O-CB 3.36Å; R1697-F1701 PolarHBondContact O-N 2.81Å; R1698-F1701 PolarHBondContact O-N 3.21Å; F1701-N1703 VanDerWaalsContact C-N 3.33Å; F1701-N1703 PolarHBondContact O-N 2.87Å; F1701-V1704 PolarHBondContact O-N 2.96Å; F1701-V1705 HydrophobicContact CD1-CG2 4.15Å; F1701-V1705 HydrophobicContact CE1-CG2 3.81Å; F1701-V1705 HydrophobicContact CE2-CG2 4.2Å; F1701-V1705 HydrophobicContact CG-CG2 4.5Å; F1701-V1705 HydrophobicContact CZ-CG2 3.84Å; F1701-V1705 VanDerWaalsContact O-CG2 3.27Å; F1701-V1705 WeakPolarHBondContact O-CG2 3.36Å; F1701-V1705 PolarHBondContact O-N 3.12Å; F1701-L1729 HydrophobicContact CE1-CD2 4.34Å; F1701-L1729 HydrophobicContact CZ-CD2 4.12Å; F1701-L1780 HydrophobicContact CE1-CD2 4.49Å |
| 1702 | L | 81.7 | Confident | 73.7 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 178.3 | -81.5 | 166.5 | 0 | 0 | 0 | 113.4 | R1698 V1705 D1706 L1776 E1779 L1780 I1783 | R1698-L1702 HydrophobicContact CG-CD1 3.91Å; R1698-L1702 WeakPolarHBondContact O-CB 3.49Å; R1698-L1702 PolarHBondContact O-N 3.46Å; L1702-V1705 PolarHBondContact O-N 3.42Å; L1702-D1706 PolarHBondContact O-N 3.3Å; L1702-L1776 HydrophobicContact CD1-CD1 3.74Å; L1702-L1776 HydrophobicContact CD2-CD1 3.69Å; L1702-L1776 HydrophobicContact CG-CD1 3.7Å; L1702-E1779 WeakPolarHBondContact CD1-OE2 3.42Å; L1702-E1779 HydrophobicContact CD2-CB 4.08Å; L1702-L1780 HydrophobicContact CD2-CD2 3.88Å; L1702-L1780 HydrophobicContact CD2-CG 4.19Å; L1702-I1783 HydrophobicContact CD2-CD1 4.04Å |
| 1703 | N | 79.9 | Confident | 74.6 | Confident | 35 Ų | 35 | 35.3 Ų | 35.3 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 177.7 | -73.8 | -38.4 | 0 | 0 | 0 | 111.7 | R1513 F1635 Q1699 N1700 F1701 V1705 S1707 | R1513-N1703 PolarHBondContact NH1-ND2 2.88Å; R1513-N1703 PolarHBondContact NH2-ND2 3.47Å; F1635-N1703 WeakPolarHBondContact CZ-O 3.48Å; Q1699-N1703 VanDerWaalsContact O-CB 3.32Å; Q1699-N1703 WeakPolarHBondContact O-CB 3.36Å; Q1699-N1703 PolarHBondContact O-N 3.24Å; Q1699-N1703 PolarHBondContact O-ND2 3.04Å; N1700-N1703 PolarHBondContact O-N 3.19Å; F1701-N1703 VanDerWaalsContact C-N 3.33Å; F1701-N1703 PolarHBondContact O-N 2.87Å; N1703-V1705 VanDerWaalsContact C-N 3.34Å; N1703-S1707 WeakPolarHBondContact O-CB 3.49Å; N1703-S1707 PolarHBondContact O-N 2.94Å; N1703-S1707 PolarHBondContact O-OG 3.37Å; N1703-S1707 VanDerWaalsContact O-OG 3.12Å |
| 1704 | V | 81.3 | Confident | 75.1 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | I1509 R1513 L1645 N1700 F1701 S1707 V1708 | I1509-V1704 HydrophobicContact CG2-CB 4.25Å; I1509-V1704 HydrophobicContact CG2-CG1 4.17Å; I1509-V1704 HydrophobicContact CG2-CG2 4.01Å; R1513-V1704 HydrophobicContact CB-CG2 3.94Å; R1513-V1704 HydrophobicContact CG-CG2 4.29Å; L1645-V1704 HydrophobicContact CD1-CG1 4.18Å; N1700-V1704 WeakPolarHBondContact O-CG2 3.36Å; N1700-V1704 PolarHBondContact O-N 3.24Å; F1701-V1704 PolarHBondContact O-N 2.96Å; V1704-S1707 WeakPolarHBondContact CA-OG 3.37Å; V1704-S1707 PolarHBondContact O-OG 3.2Å; V1704-V1708 HydrophobicContact CG1-CG2 4.09Å; V1704-V1708 VanDerWaalsContact O-CB 3.32Å; V1704-V1708 WeakPolarHBondContact O-CB 3.4Å; V1704-V1708 WeakPolarHBondContact O-CG2 3.27Å; V1704-V1708 PolarHBondContact O-N 3.34Å |
| 1705 | V | 83.9 | Confident | 75.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -50.7 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | F1701 L1702 N1703 S1707 L1709 L1725 L1729 L1780 I1783 | F1701-V1705 HydrophobicContact CD1-CG2 4.15Å; F1701-V1705 HydrophobicContact CE1-CG2 3.81Å; F1701-V1705 HydrophobicContact CE2-CG2 4.2Å; F1701-V1705 HydrophobicContact CG-CG2 4.5Å; F1701-V1705 HydrophobicContact CZ-CG2 3.84Å; F1701-V1705 VanDerWaalsContact O-CG2 3.27Å; F1701-V1705 WeakPolarHBondContact O-CG2 3.36Å; F1701-V1705 PolarHBondContact O-N 3.12Å; L1702-V1705 PolarHBondContact O-N 3.42Å; N1703-V1705 VanDerWaalsContact C-N 3.34Å; V1705-S1707 VanDerWaalsContact C-N 3.29Å; V1705-S1707 PolarHBondContact O-N 3.09Å; V1705-L1709 HydrophobicContact CG1-CD1 3.81Å; V1705-L1709 VanDerWaalsContact O-CB 3.29Å; V1705-L1709 WeakPolarHBondContact O-CB 3.37Å; V1705-L1709 WeakPolarHBondContact O-CG 3.28Å; V1705-L1709 PolarHBondContact O-N 2.99Å; V1705-L1725 HydrophobicContact CG1-CD2 4.45Å; V1705-L1725 HydrophobicContact CG2-CD1 4.14Å; V1705-L1725 HydrophobicContact CG2-CD2 4.34Å; V1705-L1729 HydrophobicContact CG1-CD1 4.21Å; V1705-L1780 HydrophobicContact CG1-CD2 3.99Å; V1705-I1783 HydrophobicContact CG1-CD1 4.42Å; V1705-I1783 HydrophobicContact CG1-CG2 4.19Å |
| 1706 | D | 82.2 | Confident | 76 | Confident | 47 Ų | 47 | 46 Ų | 46 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -35.3 | 179.1 | -173.1 | 41.2 | 0 | 0 | 0 | 111.4 | L1702 S1710 I1783 K1786 | L1702-D1706 PolarHBondContact O-N 3.3Å; D1706-S1710 WeakPolarHBondContact O-CA 3.38Å; D1706-S1710 WeakPolarHBondContact O-CB 3.47Å; D1706-S1710 PolarHBondContact O-N 3.34Å; D1706-S1710 PolarHBondContact O-OG 2.75Å; D1706-I1783 HydrophobicContact CB-CD1 4.02Å; D1706-I1783 HydrophobicContact CB-CG1 4.24Å; D1706-I1783 HydrophobicContact CB-CG2 4.41Å; D1706-K1786 IonicContact OD1-NZ 3.85Å; D1706-K1786 PolarHBondContact OD1-NZ 2.89Å; D1706-K1786 IonicContact OD2-NZ 2.63Å; D1706-K1786 PolarHBondContact OD2-NZ 2.75Å |
| 1707 | S | 76.9 | Confident | 75.9 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.6 | -48.3 | 177.7 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | F1635 N1703 V1704 V1705 L1709 S1710 D1711 | F1635-S1707 WeakPolarHBondContact CE2-OG 3.32Å; F1635-S1707 WeakPolarHBondContact CZ-OG 3.43Å; N1703-S1707 WeakPolarHBondContact O-CB 3.49Å; N1703-S1707 PolarHBondContact O-N 2.94Å; N1703-S1707 PolarHBondContact O-OG 3.37Å; N1703-S1707 VanDerWaalsContact O-OG 3.12Å; V1704-S1707 WeakPolarHBondContact CA-OG 3.37Å; V1704-S1707 PolarHBondContact O-OG 3.2Å; V1705-S1707 VanDerWaalsContact C-N 3.29Å; V1705-S1707 PolarHBondContact O-N 3.09Å; S1707-L1709 PolarHBondContact O-N 3.4Å; S1707-S1710 PolarHBondContact O-N 3.02Å; S1707-D1711 PolarHBondContact O-N 2.89Å |
| 1708 | V | 78.7 | Confident | 75.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -30.7 | -179 | 171.7 | 0 | 0 | 0 | 0 | 109.3 | I1637 L1645 V1704 Y1718 V1721 Q1722 L1725 | I1637-V1708 HydrophobicContact CD1-CB 4.42Å; I1637-V1708 HydrophobicContact CD1-CG2 3.64Å; L1645-V1708 HydrophobicContact CD2-CG2 3.77Å; V1704-V1708 HydrophobicContact CG1-CG2 4.09Å; V1704-V1708 VanDerWaalsContact O-CB 3.32Å; V1704-V1708 WeakPolarHBondContact O-CB 3.4Å; V1704-V1708 WeakPolarHBondContact O-CG2 3.27Å; V1704-V1708 PolarHBondContact O-N 3.34Å; V1708-Y1718 PolarHBondContact O-OH 3.49Å; V1708-V1721 HydrophobicContact CG1-CG1 3.95Å; V1708-Q1722 HydrophobicContact CG1-CG 3.91Å; V1708-Q1722 WeakPolarHBondContact O-CG 3.25Å; V1708-Q1722 PolarHBondContact O-NE2 3.3Å; V1708-L1725 HydrophobicContact CB-CD2 3.88Å; V1708-L1725 HydrophobicContact CG1-CD2 3.73Å |
| 1709 | L | 78.4 | Confident | 75.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -89.2 | -28.5 | 177.2 | -63.5 | -179.9 | 0 | 0 | 0 | 113.4 | V1705 S1707 L1725 L1726 L1729 I1783 L1784 H1787 R1793 | V1705-L1709 HydrophobicContact CG1-CD1 3.81Å; V1705-L1709 VanDerWaalsContact O-CB 3.29Å; V1705-L1709 WeakPolarHBondContact O-CB 3.37Å; V1705-L1709 WeakPolarHBondContact O-CG 3.28Å; V1705-L1709 PolarHBondContact O-N 2.99Å; S1707-L1709 PolarHBondContact O-N 3.4Å; L1709-L1725 HydrophobicContact CD2-CD2 4.3Å; L1709-L1725 HydrophobicContact CG-CD2 4.1Å; L1709-L1726 HydrophobicContact CD1-CD2 4.22Å; L1709-L1726 HydrophobicContact CD2-CD1 4.48Å; L1709-L1726 HydrophobicContact CD2-CD2 3.9Å; L1709-L1726 HydrophobicContact CD2-CG 4.12Å; L1709-L1729 HydrophobicContact CD1-CD1 4.43Å; L1709-I1783 HydrophobicContact CB-CG2 4.25Å; L1709-I1783 HydrophobicContact CD1-CG2 3.93Å; L1709-L1784 HydrophobicContact CD1-CD2 4.39Å; L1709-H1787 HydrophobicContact CB-CB 4.24Å; L1709-H1787 WeakPolarHBondContact CB-ND1 3.27Å; L1709-H1787 PolarHBondContact O-ND1 3.18Å; L1709-R1793 PolarHBondContact O-NH1 2.86Å; L1709-R1793 PolarHBondContact O-NH2 3.23Å |
| 1710 | S | 74.2 | Confident | 75.5 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -83.7 | -24.3 | -175.6 | 67 | 0 | 0 | 0 | 0 | 115.4 | D1706 S1707 | D1706-S1710 WeakPolarHBondContact O-CA 3.38Å; D1706-S1710 WeakPolarHBondContact O-CB 3.47Å; D1706-S1710 PolarHBondContact O-N 3.34Å; D1706-S1710 PolarHBondContact O-OG 2.75Å; S1707-S1710 PolarHBondContact O-N 3.02Å |
| 1711 | D | 67.4 | Low | 75.5 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -82.4 | 147 | 177.9 | -82.1 | -19.1 | 0 | 0 | 0 | 112.8 | F1635 S1636 I1637 S1707 Y1718 Q1722 | F1635-D1711 VanDerWaalsContact O-OD2 3.09Å; S1636-D1711 WeakPolarHBondContact CA-OD2 3.44Å; I1637-D1711 PolarHBondContact N-OD2 3.36Å; I1637-D1711 VanDerWaalsContact N-OD2 3.11Å; S1707-D1711 PolarHBondContact O-N 2.89Å; D1711-Y1718 WeakPolarHBondContact CB-OH 3.49Å; D1711-Y1718 WeakPolarHBondContact O-CE1 3.38Å; D1711-Y1718 PolarHBondContact O-OH 3.45Å; D1711-Q1722 PolarHBondContact O-NE2 3.48Å |
| 1712 | Y | 58.6 | Low | 75.4 | Confident | 147 Ų | 147 | 40.1 Ų | 40.1 | 58% | 0.576 | 21% | 0.214 | S | C | * | . | trans | -107.4 | 123.5 | 179.3 | 55.2 | -87 | 0 | 0 | 0 | 111 | ||||
| 1713 | S | 67.4 | Low | 75.6 | Confident | 30 Ų | 30 | 41.9 Ų | 41.9 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | trans | -153.3 | 130.3 | 169.5 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | K1715 | S1713-K1715 PolarHBondContact O-N 3.39Å; S1713-K1715 WeakPolarHBondContact OG-CG 3.38Å; S1713-K1715 PolarHBondContact OG-N 3.24Å | ||
| 1714 | D | 63.1 | Low | 75.7 | Confident | 140 Ų | 140 | 40.9 Ų | 40.9 | 75% | 0.749 | 22% | 0.217 | S | C | * | . | trans | -80.1 | 10.5 | 176.7 | -47.6 | -34.2 | 0 | 0 | 0 | 112.8 | T1716 | D1714-T1716 PolarHBondContact O-N 2.99Š| ||
| 1715 | K | 71.3 | Confident | 76 | Confident | 119 Ų | 119 | 40.4 Ų | 40.4 | 52% | 0.517 | 21% | 0.214 | S | C | . | . | trans | -73.7 | 124.6 | 177.2 | -71.2 | 179.6 | -179.5 | 178.9 | 0 | 108.2 | K1638 S1713 S1717 Y1718 I1719 | K1638-K1715 PolarHBondContact O-NZ 3.43Å; S1713-K1715 PolarHBondContact O-N 3.39Å; S1713-K1715 WeakPolarHBondContact OG-CG 3.38Å; S1713-K1715 PolarHBondContact OG-N 3.24Å; K1715-S1717 PolarHBondContact O-N 3.37Å; K1715-S1717 VanDerWaalsContact O-N 3.12Å; K1715-Y1718 WeakPolarHBondContact O-CB 3.41Å; K1715-Y1718 PolarHBondContact O-N 3.08Å; K1715-I1719 PolarHBondContact O-N 3.24Å; K1715-I1719 VanDerWaalsContact O-N 3.15Å | ||
| 1716 | T | 71.5 | Confident | 76.2 | Confident | 120 Ų | 120 | 40.4 Ų | 40.4 | 74% | 0.736 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -52.6 | -36 | 178.2 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | D1714 Y1718 I1719 S1720 | D1714-T1716 PolarHBondContact O-N 2.99Å; T1716-Y1718 VanDerWaalsContact C-N 3.35Å; T1716-Y1718 PolarHBondContact O-N 3.43Å; T1716-I1719 PolarHBondContact O-N 3.36Å; T1716-S1720 PolarHBondContact O-N 2.99Å |
| 1717 | S | 71.9 | Confident | 76.4 | Confident | 47 Ų | 47 | 41.8 Ų | 41.8 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.9 | -36.5 | 178.4 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | S1642 K1715 S1720 V1721 | S1642-S1717 VanDerWaalsContact OG-CB 3.24Å; S1642-S1717 WeakPolarHBondContact OG-CB 3.21Å; S1642-S1717 PolarHBondContact OG-OG 3.1Å; K1715-S1717 PolarHBondContact O-N 3.37Å; K1715-S1717 VanDerWaalsContact O-N 3.12Å; S1717-S1720 PolarHBondContact O-OG 3.37Å; S1717-V1721 WeakPolarHBondContact O-CG2 3.49Å; S1717-V1721 PolarHBondContact O-N 3.4Å |
| 1718 | Y | 75 | Confident | 76.9 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.3 | -42.8 | 176.7 | -177.6 | -105.9 | 0 | 0 | 0 | 111.9 | I1637 V1708 D1711 K1715 T1716 S1720 V1721 Q1722 | I1637-Y1718 HydrophobicContact CB-CE2 4.15Å; I1637-Y1718 HydrophobicContact CD1-CE2 4.27Å; I1637-Y1718 HydrophobicContact CG2-CE2 4.47Å; V1708-Y1718 PolarHBondContact O-OH 3.49Å; D1711-Y1718 WeakPolarHBondContact CB-OH 3.49Å; D1711-Y1718 WeakPolarHBondContact O-CE1 3.38Å; D1711-Y1718 PolarHBondContact O-OH 3.45Å; K1715-Y1718 WeakPolarHBondContact O-CB 3.41Å; K1715-Y1718 PolarHBondContact O-N 3.08Å; T1716-Y1718 VanDerWaalsContact C-N 3.35Å; T1716-Y1718 PolarHBondContact O-N 3.43Å; Y1718-S1720 VanDerWaalsContact C-N 3.25Å; Y1718-S1720 PolarHBondContact O-N 3.16Å; Y1718-V1721 PolarHBondContact O-N 3.16Å; Y1718-V1721 VanDerWaalsContact O-N 3.16Å; Y1718-Q1722 HydrophobicContact CD1-CG 4.46Å; Y1718-Q1722 VanDerWaalsContact CE1-CD 3.42Å; Y1718-Q1722 HydrophobicContact CE1-CG 4.14Å; Y1718-Q1722 PolarHBondContact O-N 3.24Å; Y1718-Q1722 PolarHBondContact OH-NE2 2.98Å |
| 1719 | I | 78.1 | Confident | 77.4 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.1 | -41.7 | 174 | -65.5 | 168.7 | 0 | 0 | 0 | 110.3 | K1715 T1716 V1721 Q1722 I1723 T1797 | K1715-I1719 PolarHBondContact O-N 3.24Å; K1715-I1719 VanDerWaalsContact O-N 3.15Å; T1716-I1719 PolarHBondContact O-N 3.36Å; I1719-V1721 VanDerWaalsContact C-N 3.35Å; I1719-V1721 PolarHBondContact O-N 3.45Å; I1719-Q1722 PolarHBondContact O-N 3.11Å; I1719-I1723 HydrophobicContact CG2-CD1 3.74Å; I1719-I1723 HydrophobicContact CG2-CG1 4.32Å; I1719-I1723 WeakPolarHBondContact O-CG1 3.34Å; I1719-I1723 PolarHBondContact O-N 3.36Å; I1719-T1797 HydrophobicContact CG2-CG2 3.95Å |
| 1720 | S | 76.6 | Confident | 77.7 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 36% | 0.357 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 178.4 | 76.8 | 0 | 0 | 0 | 0 | 113.4 | T1716 S1717 Y1718 K1724 | T1716-S1720 PolarHBondContact O-N 2.99Å; S1717-S1720 PolarHBondContact O-OG 3.37Å; Y1718-S1720 VanDerWaalsContact C-N 3.25Å; Y1718-S1720 PolarHBondContact O-N 3.16Å; S1720-K1724 WeakPolarHBondContact O-CB 3.49Å; S1720-K1724 PolarHBondContact O-N 3.25Å |
| 1721 | V | 82.1 | Confident | 78.2 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | L1645 N1646 L1649 V1708 S1717 Y1718 I1719 K1724 L1725 | L1645-V1721 HydrophobicContact CD2-CG1 3.74Å; L1645-V1721 HydrophobicContact CG-CG1 4.08Å; N1646-V1721 HydrophobicContact CB-CG2 4.06Å; L1649-V1721 HydrophobicContact CD1-CG1 3.74Å; V1708-V1721 HydrophobicContact CG1-CG1 3.95Å; S1717-V1721 WeakPolarHBondContact O-CG2 3.49Å; S1717-V1721 PolarHBondContact O-N 3.4Å; Y1718-V1721 PolarHBondContact O-N 3.16Å; Y1718-V1721 VanDerWaalsContact O-N 3.16Å; I1719-V1721 VanDerWaalsContact C-N 3.35Å; I1719-V1721 PolarHBondContact O-N 3.45Å; V1721-K1724 PolarHBondContact O-N 3.39Å; V1721-L1725 WeakPolarHBondContact O-CB 3.39Å; V1721-L1725 PolarHBondContact O-N 2.95Å |
| 1722 | Q | 83.9 | Confident | 79 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -50.3 | 176.1 | -74.6 | -178.3 | -32.1 | 0 | 0 | 111.4 | V1708 D1711 Y1718 I1719 K1724 L1725 L1726 T1797 | V1708-Q1722 HydrophobicContact CG1-CG 3.91Å; V1708-Q1722 WeakPolarHBondContact O-CG 3.25Å; V1708-Q1722 PolarHBondContact O-NE2 3.3Å; D1711-Q1722 PolarHBondContact O-NE2 3.48Å; Y1718-Q1722 HydrophobicContact CD1-CG 4.46Å; Y1718-Q1722 VanDerWaalsContact CE1-CD 3.42Å; Y1718-Q1722 HydrophobicContact CE1-CG 4.14Å; Y1718-Q1722 PolarHBondContact O-N 3.24Å; Y1718-Q1722 PolarHBondContact OH-NE2 2.98Å; I1719-Q1722 PolarHBondContact O-N 3.11Å; Q1722-K1724 VanDerWaalsContact C-N 3.29Å; Q1722-K1724 PolarHBondContact O-N 2.74Å; Q1722-L1725 PolarHBondContact O-N 3.47Å; Q1722-L1726 WeakPolarHBondContact O-CB 3.17Å; Q1722-L1726 WeakPolarHBondContact O-CG 3.32Å; Q1722-L1726 PolarHBondContact O-N 2.99Å; Q1722-T1797 HydrophobicContact CB-CG2 4.05Å |
| 1723 | I | 84.8 | Confident | 80.1 | Confident | 47 Ų | 47 | 35.7 Ų | 35.7 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 177.9 | -67.1 | 169.7 | 0 | 0 | 0 | 110.4 | I1719 L1726 Q1727 T1797 | I1719-I1723 HydrophobicContact CG2-CD1 3.74Å; I1719-I1723 HydrophobicContact CG2-CG1 4.32Å; I1719-I1723 WeakPolarHBondContact O-CG1 3.34Å; I1719-I1723 PolarHBondContact O-N 3.36Å; I1723-L1726 PolarHBondContact O-N 3.34Å; I1723-Q1727 HydrophobicContact CG2-CG 4.49Å; I1723-Q1727 VanDerWaalsContact O-CG 3.32Å; I1723-Q1727 WeakPolarHBondContact O-CG 3.4Å; I1723-Q1727 PolarHBondContact O-N 3.44Å; I1723-T1797 HydrophobicContact CG1-CG2 4.26Å |
| 1724 | K | 83.3 | Confident | 80.7 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 179.7 | -167.7 | 58.5 | 164.5 | -177 | 0 | 112.7 | S1472 L1649 F1653 S1720 V1721 Q1722 Q1727 C1728 | S1472-K1724 WeakPolarHBondContact OG-CE 3.46Å; S1472-K1724 PolarHBondContact OG-NZ 3.37Å; L1649-K1724 HydrophobicContact CB-CG 4.13Å; F1653-K1724 HydrophobicContact CB-CD 4.46Å; F1653-K1724 HydrophobicContact CD2-CD 4.33Å; F1653-K1724 VanDerWaalsContact CE1-NZ 3.31Å; F1653-K1724 HydrophobicContact CG-CD 4.39Å; S1720-K1724 WeakPolarHBondContact O-CB 3.49Å; S1720-K1724 PolarHBondContact O-N 3.25Å; V1721-K1724 PolarHBondContact O-N 3.39Å; Q1722-K1724 VanDerWaalsContact C-N 3.29Å; Q1722-K1724 PolarHBondContact O-N 2.74Å; K1724-Q1727 PolarHBondContact O-N 2.67Å; K1724-C1728 PolarHBondContact O-N 3.45Å; K1724-C1728 PolarHBondContact O-SG 3.37Å |
| 1725 | L | 87.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 174.3 | 179.8 | 66.1 | 0 | 0 | 0 | 111 | L1649 V1705 V1708 L1709 V1721 Q1722 Q1727 C1728 L1729 | L1649-L1725 HydrophobicContact CD1-CB 4.07Å; L1649-L1725 HydrophobicContact CD2-CD1 3.66Å; V1705-L1725 HydrophobicContact CG1-CD2 4.45Å; V1705-L1725 HydrophobicContact CG2-CD1 4.14Å; V1705-L1725 HydrophobicContact CG2-CD2 4.34Å; V1708-L1725 HydrophobicContact CB-CD2 3.88Å; V1708-L1725 HydrophobicContact CG1-CD2 3.73Å; L1709-L1725 HydrophobicContact CD2-CD2 4.3Å; L1709-L1725 HydrophobicContact CG-CD2 4.1Å; V1721-L1725 WeakPolarHBondContact O-CB 3.39Å; V1721-L1725 PolarHBondContact O-N 2.95Å; Q1722-L1725 PolarHBondContact O-N 3.47Å; L1725-Q1727 VanDerWaalsContact C-N 3.33Å; L1725-Q1727 PolarHBondContact O-N 3.12Å; L1725-C1728 WeakPolarHBondContact O-CA 3.27Å; L1725-C1728 WeakPolarHBondContact O-CB 3.38Å; L1725-C1728 PolarHBondContact O-N 3.28Å; L1725-C1728 VanDerWaalsContact O-N 3.09Å; L1725-L1729 WeakPolarHBondContact O-CG 3.32Å; L1725-L1729 PolarHBondContact O-N 3.26Å |
| 1726 | L | 88.1 | Confident | 81 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 178.1 | -69.4 | 170.9 | 0 | 0 | 0 | 111.8 | L1709 Q1722 I1723 C1728 L1729 S1730 L1784 T1797 A1801 | L1709-L1726 HydrophobicContact CD1-CD2 4.22Å; L1709-L1726 HydrophobicContact CD2-CD1 4.48Å; L1709-L1726 HydrophobicContact CD2-CD2 3.9Å; L1709-L1726 HydrophobicContact CD2-CG 4.12Å; Q1722-L1726 WeakPolarHBondContact O-CB 3.17Å; Q1722-L1726 WeakPolarHBondContact O-CG 3.32Å; Q1722-L1726 PolarHBondContact O-N 2.99Å; I1723-L1726 PolarHBondContact O-N 3.34Å; L1726-C1728 VanDerWaalsContact C-N 3.34Å; L1726-C1728 PolarHBondContact O-N 3.42Å; L1726-L1729 HydrophobicContact CD2-CD1 4.38Å; L1726-L1729 PolarHBondContact O-N 3.33Å; L1726-S1730 PolarHBondContact O-N 3.25Å; L1726-L1784 HydrophobicContact CD2-CD2 3.63Å; L1726-T1797 WeakPolarHBondContact CD1-O 3.45Å; L1726-A1801 HydrophobicContact CD1-CB 3.92Å; L1726-A1801 HydrophobicContact CD2-CB 3.99Å |
| 1727 | Q | 85.5 | Confident | 80.5 | Confident | 77 Ų | 77 | 24.3 Ų | 24.3 | 36% | 0.36 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 171 | -73.3 | 175.2 | -3.5 | 0 | 0 | 112.4 | F1653 I1723 K1724 L1725 S1730 L1731 | F1653-Q1727 HydrophobicContact CD2-CB 4.27Å; F1653-Q1727 HydrophobicContact CE2-CB 4.08Å; I1723-Q1727 HydrophobicContact CG2-CG 4.49Å; I1723-Q1727 VanDerWaalsContact O-CG 3.32Å; I1723-Q1727 WeakPolarHBondContact O-CG 3.4Å; I1723-Q1727 PolarHBondContact O-N 3.44Å; K1724-Q1727 PolarHBondContact O-N 2.67Å; L1725-Q1727 VanDerWaalsContact C-N 3.33Å; L1725-Q1727 PolarHBondContact O-N 3.12Å; Q1727-S1730 PolarHBondContact O-N 3.41Å; Q1727-L1731 WeakPolarHBondContact O-CG 3.44Å; Q1727-L1731 PolarHBondContact O-N 3.13Å; Q1727-L1731 VanDerWaalsContact O-N 3.07Å |
| 1728 | C | 88.1 | Confident | 79.7 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 174 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | L1652 L1656 K1724 L1725 L1726 S1730 L1731 L1732 | L1652-C1728 HydrophobicContact CD2-CB 4.08Å; L1652-C1728 HydrophobicContact CG-CB 4.42Å; L1656-C1728 HydrophobicContact CD1-CB 3.9Å; L1656-C1728 VanDerWaalsContact CD1-O 3.28Å; L1656-C1728 WeakPolarHBondContact CD1-O 3.3Å; K1724-C1728 PolarHBondContact O-N 3.45Å; K1724-C1728 PolarHBondContact O-SG 3.37Å; L1725-C1728 WeakPolarHBondContact O-CA 3.27Å; L1725-C1728 WeakPolarHBondContact O-CB 3.38Å; L1725-C1728 PolarHBondContact O-N 3.28Å; L1725-C1728 VanDerWaalsContact O-N 3.09Å; L1726-C1728 VanDerWaalsContact C-N 3.34Å; L1726-C1728 PolarHBondContact O-N 3.42Å; C1728-S1730 VanDerWaalsContact C-N 3.33Å; C1728-S1730 PolarHBondContact O-N 3.42Å; C1728-L1731 PolarHBondContact O-N 3.4Å; C1728-L1732 VanDerWaalsContact O-CB 3.27Å; C1728-L1732 WeakPolarHBondContact O-CB 2.85Å; C1728-L1732 PolarHBondContact O-N 3.07Å |
| 1729 | L | 87.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.3 | -67.9 | 176.7 | 0 | 0 | 0 | 112.1 | F1701 V1705 L1709 L1725 L1726 L1732 V1733 L1780 L1784 P1804 | F1701-L1729 HydrophobicContact CE1-CD2 4.34Å; F1701-L1729 HydrophobicContact CZ-CD2 4.12Å; V1705-L1729 HydrophobicContact CG1-CD1 4.21Å; L1709-L1729 HydrophobicContact CD1-CD1 4.43Å; L1725-L1729 WeakPolarHBondContact O-CG 3.32Å; L1725-L1729 PolarHBondContact O-N 3.26Å; L1726-L1729 HydrophobicContact CD2-CD1 4.38Å; L1726-L1729 PolarHBondContact O-N 3.33Å; L1729-L1732 PolarHBondContact O-N 2.79Å; L1729-V1733 WeakPolarHBondContact O-CG2 2.84Å; L1729-V1733 PolarHBondContact O-N 2.76Å; L1729-L1780 HydrophobicContact CD2-CD1 4.25Å; L1729-L1780 HydrophobicContact CD2-CD2 3.91Å; L1729-L1784 HydrophobicContact CD1-CD2 4.29Å; L1729-P1804 HydrophobicContact CB-CG 4.22Å |
| 1730 | S | 86.2 | Confident | 77.1 | Confident | 22 Ų | 22 | 27.1 Ų | 27.1 | 15% | 0.154 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -50.8 | 173.5 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | L1726 Q1727 C1728 L1732 V1733 D1734 I1807 | L1726-S1730 PolarHBondContact O-N 3.25Å; Q1727-S1730 PolarHBondContact O-N 3.41Å; C1728-S1730 VanDerWaalsContact C-N 3.33Å; C1728-S1730 PolarHBondContact O-N 3.42Å; S1730-L1732 VanDerWaalsContact C-N 3.32Å; S1730-L1732 PolarHBondContact O-N 3.41Å; S1730-V1733 PolarHBondContact O-N 3.45Å; S1730-D1734 PolarHBondContact O-N 2.83Å; S1730-D1734 VanDerWaalsContact O-N 3.11Å; S1730-I1807 WeakPolarHBondContact OG-CD1 3.48Å |
| 1731 | L | 84 | Confident | 75.5 | Confident | 24 Ų | 24 | 26.6 Ų | 26.6 | 13% | 0.126 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.4 | -30.8 | 177.1 | -68.8 | 173.7 | 0 | 0 | 0 | 114 | F1653 L1656 K1657 R1662 Q1727 C1728 V1733 L1737 | F1653-L1731 HydrophobicContact CD2-CD1 3.61Å; F1653-L1731 HydrophobicContact CE2-CD1 3.6Å; F1653-L1731 HydrophobicContact CG-CD1 4.43Å; F1653-L1731 HydrophobicContact CZ-CD1 4.43Å; L1656-L1731 HydrophobicContact CB-CB 3.92Å; L1656-L1731 HydrophobicContact CB-CD1 4.37Å; L1656-L1731 HydrophobicContact CD1-CB 4.49Å; K1657-L1731 HydrophobicContact CG-CD1 3.8Å; K1657-L1731 HydrophobicContact CG-CD2 4.48Å; R1662-L1731 PolarHBondContact NE-O 2.97Å; R1662-L1731 PolarHBondContact NH1-O 3.03Å; Q1727-L1731 WeakPolarHBondContact O-CG 3.44Å; Q1727-L1731 PolarHBondContact O-N 3.13Å; Q1727-L1731 VanDerWaalsContact O-N 3.07Å; C1728-L1731 PolarHBondContact O-N 3.4Å; L1731-V1733 VanDerWaalsContact C-N 3.29Å; L1731-L1737 HydrophobicContact CD2-CD1 3.96Å |
| 1732 | L | 84.6 | Confident | 73.4 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -30.9 | 178.7 | -174.5 | 120.6 | 0 | 0 | 0 | 111.8 | L1656 R1662 V1665 L1666 L1669 C1728 L1729 S1730 P1772 L1780 | L1656-L1732 HydrophobicContact CD1-CB 4.17Å; L1656-L1732 HydrophobicContact CD1-CD1 4.37Å; L1656-L1732 HydrophobicContact CD2-CB 4.39Å; L1656-L1732 HydrophobicContact CD2-CD1 4.06Å; R1662-L1732 PolarHBondContact NE-O 3.33Å; R1662-L1732 PolarHBondContact NH2-O 3.3Å; V1665-L1732 HydrophobicContact CG1-CD1 4.31Å; L1666-L1732 HydrophobicContact CD2-CD1 4.44Å; L1666-L1732 HydrophobicContact CD2-CG 4.1Å; L1669-L1732 HydrophobicContact CD1-CD1 4.2Å; C1728-L1732 VanDerWaalsContact O-CB 3.27Å; C1728-L1732 WeakPolarHBondContact O-CB 2.85Å; C1728-L1732 PolarHBondContact O-N 3.07Å; L1729-L1732 PolarHBondContact O-N 2.79Å; S1730-L1732 VanDerWaalsContact C-N 3.32Å; S1730-L1732 PolarHBondContact O-N 3.41Å; L1732-P1772 HydrophobicContact CD2-CB 4.41Å; L1732-P1772 HydrophobicContact CD2-CG 3.43Å; L1732-P1772 VanDerWaalsContact CD2-CG 3.43Å; L1732-P1772 HydrophobicContact CG-CG 4.21Å; L1732-L1780 HydrophobicContact CD2-CD1 4.18Å |
| 1733 | V | 81.5 | Confident | 71 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -91.6 | -30.7 | -177.8 | 172.4 | 0 | 0 | 0 | 0 | 112.7 | R1662 L1729 S1730 L1731 V1735 L1771 L1777 I1807 I1808 | R1662-V1733 PolarHBondContact NH2-O 3.22Å; L1729-V1733 WeakPolarHBondContact O-CG2 2.84Å; L1729-V1733 PolarHBondContact O-N 2.76Å; S1730-V1733 PolarHBondContact O-N 3.45Å; L1731-V1733 VanDerWaalsContact C-N 3.29Å; V1733-V1735 PolarHBondContact O-N 2.72Å; V1733-L1771 HydrophobicContact CG1-CD1 4.31Å; V1733-L1777 HydrophobicContact CG2-CD1 4.37Å; V1733-I1807 HydrophobicContact CB-CG2 4.4Å; V1733-I1807 HydrophobicContact CG1-CB 4.33Å; V1733-I1807 HydrophobicContact CG1-CG2 3.79Å; V1733-I1808 HydrophobicContact CB-CG1 4.3Å; V1733-I1808 HydrophobicContact CG1-CB 4.24Å; V1733-I1808 HydrophobicContact CG1-CD1 4.31Å; V1733-I1808 HydrophobicContact CG1-CG1 3.27Å; V1733-I1808 HydrophobicContact CG2-CD1 4.28Å; V1733-I1808 HydrophobicContact CG2-CG1 4.09Å |
| 1734 | D | 78.9 | Confident | 68.4 | Low | 30 Ų | 30 | 40.2 Ų | 40.2 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | trans | -64.7 | 94.8 | -167.2 | -173.2 | -2.1 | 0 | 0 | 0 | 115.5 | R1662 S1730 K1736 L1737 I1807 | R1662-D1734 PolarHBondContact NH1-O 3.17Å; R1662-D1734 PolarHBondContact NH2-O 3.01Å; S1730-D1734 PolarHBondContact O-N 2.83Å; S1730-D1734 VanDerWaalsContact O-N 3.11Å; D1734-K1736 PolarHBondContact O-N 3.35Å; D1734-K1736 VanDerWaalsContact O-N 3.11Å; D1734-K1736 VanDerWaalsContact OD1-CB 3.3Å; D1734-K1736 WeakPolarHBondContact OD1-CB 3.2Å; D1734-K1736 PolarHBondContact OD1-N 3.34Å; D1734-L1737 HydrophobicContact CB-CD1 4.19Å; D1734-L1737 PolarHBondContact O-N 2.75Å; D1734-L1737 WeakPolarHBondContact OD2-CD1 3.34Å; D1734-I1807 VanDerWaalsContact CA-CG2 3.46Å; D1734-I1807 HydrophobicContact CB-CD1 4.35Å; D1734-I1807 HydrophobicContact CB-CG2 3.93Å | ||
| 1735 | V | 71.9 | Confident | 66 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.3 | -178 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | V1733 L1737 S1738 F1766 L1767 N1770 L1771 H1811 F1912 | V1733-V1735 PolarHBondContact O-N 2.72Å; V1735-L1737 VanDerWaalsContact C-N 3.28Å; V1735-L1737 PolarHBondContact O-N 2.84Å; V1735-S1738 PolarHBondContact O-N 3.31Å; V1735-F1766 HydrophobicContact CG1-CE1 3.95Å; V1735-L1767 HydrophobicContact CG1-CD2 4Å; V1735-L1767 HydrophobicContact CG2-CD2 4.31Å; V1735-N1770 HydrophobicContact CG1-CB 4.4Å; V1735-L1771 HydrophobicContact CG2-CD1 4.14Å; V1735-H1811 WeakPolarHBondContact CB-NE2 3.34Å; V1735-H1811 VanDerWaalsContact CG2-NE2 3.27Å; V1735-H1811 WeakPolarHBondContact CG2-NE2 3.36Å; V1735-F1912 HydrophobicContact CG1-CE1 3.83Å; V1735-F1912 HydrophobicContact CG1-CZ 4.12Å |
| 1736 | K | 69.9 | Low | 63.1 | Low | 97 Ų | 97 | 50.6 Ų | 50.6 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -25.6 | -176.1 | -65.1 | 169.6 | 172.3 | 161.9 | 0 | 113.3 | D1734 S1738 T1739 E1810 | D1734-K1736 PolarHBondContact O-N 3.35Å; D1734-K1736 VanDerWaalsContact O-N 3.11Å; D1734-K1736 VanDerWaalsContact OD1-CB 3.3Å; D1734-K1736 WeakPolarHBondContact OD1-CB 3.2Å; D1734-K1736 PolarHBondContact OD1-N 3.34Å; K1736-S1738 PolarHBondContact O-N 2.66Å; K1736-T1739 PolarHBondContact O-N 3.21Å; K1736-T1739 PolarHBondContact O-OG1 3.34Å; K1736-E1810 WeakPolarHBondContact CE-OE2 3.15Å; K1736-E1810 IonicContact NZ-OE1 3.35Å; K1736-E1810 PolarHBondContact NZ-OE1 3.04Å; K1736-E1810 IonicContact NZ-OE2 3.91Å; K1736-E1810 PolarHBondContact NZ-OE2 3.04Å |
| 1737 | L | 59.7 | Low | 60.1 | Low | 42 Ų | 42 | 57.1 Ų | 57.1 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.1 | -22.8 | 176.5 | -109.3 | 107.1 | 0 | 0 | 0 | 113.3 | L1731 D1734 V1735 T1740 | L1731-L1737 HydrophobicContact CD2-CD1 3.96Å; D1734-L1737 HydrophobicContact CB-CD1 4.19Å; D1734-L1737 PolarHBondContact O-N 2.75Å; D1734-L1737 WeakPolarHBondContact OD2-CD1 3.34Å; V1735-L1737 VanDerWaalsContact C-N 3.28Å; V1735-L1737 PolarHBondContact O-N 2.84Å; L1737-T1740 PolarHBondContact O-OG1 3.32Å |
| 1738 | S | 56.4 | Low | 57.2 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -86.2 | -28.8 | -178.1 | -59.9 | 0 | 0 | 0 | 0 | 113 | V1735 K1736 T1740 S1741 N1770 | V1735-S1738 PolarHBondContact O-N 3.31Å; K1736-S1738 PolarHBondContact O-N 2.66Å; S1738-T1740 VanDerWaalsContact C-N 3.26Å; S1738-T1740 PolarHBondContact O-N 3.38Å; S1738-S1741 PolarHBondContact O-N 3.35Å; S1738-S1741 PolarHBondContact O-OG 3.31Å; S1738-N1770 VanDerWaalsContact CB-OD1 3.27Å; S1738-N1770 WeakPolarHBondContact CB-OD1 3.39Å; S1738-N1770 VanDerWaalsContact OG-CG 3.31Å; S1738-N1770 PolarHBondContact OG-OD1 3.46Å |
| 1739 | T | 51.1 | Low | 54.1 | Low | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.2 | -26 | -176.4 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | K1736 S1741 I1742 F1766 F1912 | K1736-T1739 PolarHBondContact O-N 3.21Å; K1736-T1739 PolarHBondContact O-OG1 3.34Å; T1739-S1741 PolarHBondContact O-N 3.19Å; T1739-I1742 PolarHBondContact O-N 2.99Å; T1739-F1766 HydrophobicContact CG2-CE1 4.04Å; T1739-F1766 HydrophobicContact CG2-CZ 3.91Å; T1739-F1912 HydrophobicContact CG2-CE2 3.8Å; T1739-F1912 HydrophobicContact CG2-CZ 3.76Å |
| 1740 | T | 47.2 | Very low | 51.1 | Low | 93 Ų | 93 | 72.5 Ų | 72.5 | 57% | 0.571 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.1 | 179.4 | -10.7 | 0 | 0 | 0 | 0 | 113.5 | L1737 S1738 T1743 | L1737-T1740 PolarHBondContact O-OG1 3.32Å; S1738-T1740 VanDerWaalsContact C-N 3.26Å; S1738-T1740 PolarHBondContact O-N 3.38Å; T1740-T1743 PolarHBondContact O-OG1 3.37Å |
| 1741 | S | 42.9 | Very low | 48.2 | Very low | 40 Ų | 40 | 76.6 Ų | 76.6 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -29.3 | -179.2 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | S1738 T1739 T1743 K1744 Y1745 | S1738-S1741 PolarHBondContact O-N 3.35Å; S1738-S1741 PolarHBondContact O-OG 3.31Å; T1739-S1741 PolarHBondContact O-N 3.19Å; S1741-T1743 PolarHBondContact O-N 3.17Å; S1741-K1744 PolarHBondContact O-N 3.01Å; S1741-Y1745 WeakPolarHBondContact O-CD2 3.31Å; S1741-Y1745 PolarHBondContact O-N 3.39Å |
| 1742 | I | 38.7 | Very low | 45.3 | Very low | 93 Ų | 93 | 85.1 Ų | 85.1 | 48% | 0.477 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.1 | -32.8 | -177.6 | -67 | 173.5 | 0 | 0 | 0 | 111.2 | T1739 K1744 T1746 F1766 | T1739-I1742 PolarHBondContact O-N 2.99Å; I1742-K1744 VanDerWaalsContact C-N 3.32Å; I1742-K1744 PolarHBondContact O-N 3.17Å; I1742-T1746 HydrophobicContact CG2-CG2 4.37Å; I1742-T1746 WeakPolarHBondContact O-CG2 3.17Å; I1742-T1746 PolarHBondContact O-OG1 3.24Å; I1742-F1766 HydrophobicContact CD1-CE2 4.01Å |
| 1743 | T | 33.5 | Very low | 42.3 | Very low | 97 Ų | 97 | 89.4 Ų | 89.4 | 60% | 0.595 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.9 | -20.4 | 177.6 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | T1740 S1741 | T1740-T1743 PolarHBondContact O-OG1 3.37Å; S1741-T1743 PolarHBondContact O-N 3.17Å |
| 1744 | K | 30.3 | Very low | 39.6 | Very low | 153 Ų | 153 | 93.2 Ų | 93.2 | 67% | 0.665 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -94 | -29.7 | -178.6 | -74.7 | -175.3 | 177 | 179.9 | 0 | 114.2 | S1741 I1742 | S1741-K1744 PolarHBondContact O-N 3.01Å; I1742-K1744 VanDerWaalsContact C-N 3.32Å; I1742-K1744 PolarHBondContact O-N 3.17Å |
| 1745 | Y | 31.8 | Very low | 37.1 | Very low | 144 Ų | 144 | 99.7 Ų | 99.7 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -98.1 | -11.4 | -173.6 | -70.6 | -74.3 | 0 | 0 | 0 | 115.2 | S1741 | S1741-Y1745 WeakPolarHBondContact O-CD2 3.31Å; S1741-Y1745 PolarHBondContact O-N 3.39Å |
| 1746 | T | 26.4 | Very low | 35.2 | Very low | 88 Ų | 88 | 106.8 Ų | 106.8 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -94.8 | -7 | -174.6 | 53.3 | 0 | 0 | 0 | 0 | 115.2 | I1742 N1748 | I1742-T1746 HydrophobicContact CG2-CG2 4.37Å; I1742-T1746 WeakPolarHBondContact O-CG2 3.17Å; I1742-T1746 PolarHBondContact O-OG1 3.24Å; T1746-N1748 VanDerWaalsContact C-N 3.29Å; T1746-N1748 PolarHBondContact O-N 3.05Å |
| 1747 | N | 26.3 | Very low | 33.2 | Very low | 137 Ų | 137 | 108.7 Ų | 108.7 | 73% | 0.733 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 2.1 | -176.8 | -78.9 | -6.6 | 0 | 0 | 0 | 115.8 | ||
| 1748 | N | 23.9 | Very low | 31.9 | Very low | 141 Ų | 141 | 112.6 Ų | 112.6 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 23.3 | -172.8 | -93.1 | 13.8 | 0 | 0 | 0 | 116.3 | T1746 | T1746-N1748 VanDerWaalsContact C-N 3.29Å; T1746-N1748 PolarHBondContact O-N 3.05Å |
| 1749 | S | 23.9 | Very low | 31.4 | Very low | 84 Ų | 84 | 115.6 Ų | 115.6 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | trans | -145.3 | 109.8 | 163.7 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | V1751 | S1749-V1751 PolarHBondContact O-N 2.9Š| ||
| 1750 | D | 24.9 | Very low | 30.8 | Very low | 180 Ų | 180 | 118.4 Ų | 118.4 | 96% | 0.963 | 64% | 0.641 | S | S | * | * | trans | -58.2 | 72.2 | 162 | -79.3 | -44.1 | 0 | 0 | 0 | 110.6 | ||||
| 1751 | V | 25.1 | Very low | 30.6 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 66% | 0.661 | 65% | 0.645 | S | S | * | * | trans | -111.2 | 103.2 | 162.6 | -179.7 | 0 | 0 | 0 | 0 | 105.8 | S1749 C1753 | S1749-V1751 PolarHBondContact O-N 2.9Å; V1751-C1753 VanDerWaalsContact C-N 3.32Å; V1751-C1753 PolarHBondContact O-N 3.29Å | ||
| 1752 | K | 23.5 | Very low | 30.9 | Very low | 202 Ų | 202 | 122.6 Ų | 122.6 | 88% | 0.878 | 65% | 0.653 | S | S | * | * | trans | -39.8 | 94.9 | 162.9 | -73 | 172.1 | 172.6 | 174.1 | 0 | 109.6 | S1754 | K1752-S1754 PolarHBondContact O-N 3.45Š| ||
| 1753 | C | 21.6 | Very low | 31.7 | Very low | 91 Ų | 91 | 121.5 Ų | 121.5 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | trans | -71.6 | 100.9 | 162.9 | -97.4 | 0 | 0 | 0 | 0 | 106.8 | V1751 F1757 | V1751-C1753 VanDerWaalsContact C-N 3.32Å; V1751-C1753 PolarHBondContact O-N 3.29Å; C1753-F1757 HydrophobicContact CB-CE2 4.26Å; C1753-F1757 VanDerWaalsContact SG-CE2 3.52Å | ||
| 1754 | S | 24.8 | Very low | 32.8 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | trans | -55.1 | 132.7 | 160.1 | 42.9 | 0 | 0 | 0 | 0 | 109.9 | K1752 D1756 | K1752-S1754 PolarHBondContact O-N 3.45Å; S1754-D1756 PolarHBondContact O-N 2.61Å | ||
| 1755 | D | 26.5 | Very low | 34.1 | Very low | 165 Ų | 165 | 118.1 Ų | 118.1 | 88% | 0.882 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -61 | 32.6 | -169.5 | -70.4 | -54 | 0 | 0 | 0 | 118.2 | ||
| 1756 | D | 30.5 | Very low | 35.6 | Very low | 150 Ų | 150 | 113.7 Ų | 113.7 | 80% | 0.802 | 62% | 0.619 | S | S | * | * | trans | -122.9 | 24.9 | -173.6 | -73.3 | -31.3 | 0 | 0 | 0 | 114.9 | S1754 N1758 | S1754-D1756 PolarHBondContact O-N 2.61Å; D1756-N1758 PolarHBondContact O-N 2.98Å | ||
| 1757 | F | 28.2 | Very low | 37.1 | Very low | 136 Ų | 136 | 111.7 Ų | 111.7 | 60% | 0.596 | 61% | 0.605 | S | S | * | * | trans | -82.6 | 111.4 | 169.4 | -66.2 | -77.3 | 0 | 0 | 0 | 109.7 | C1753 S1759 | C1753-F1757 HydrophobicContact CB-CE2 4.26Å; C1753-F1757 VanDerWaalsContact SG-CE2 3.52Å; F1757-S1759 PolarHBondContact O-N 3.29Å | ||
| 1758 | N | 32.2 | Very low | 38.9 | Very low | 125 Ų | 125 | 108.1 Ų | 108.1 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | trans | -60.8 | 101.6 | 168.7 | -77.8 | -32.4 | 0 | 0 | 0 | 108.2 | D1756 D1760 E1761 | D1756-N1758 PolarHBondContact O-N 2.98Å; N1758-D1760 PolarHBondContact O-N 3.36Å; N1758-E1761 PolarHBondContact O-N 2.62Å | ||
| 1759 | S | 45.6 | Very low | 40.9 | Very low | 66 Ų | 66 | 104.5 Ų | 104.5 | 46% | 0.462 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -45.8 | -36.9 | 179.8 | 45.2 | 0 | 0 | 0 | 0 | 113.4 | F1757 E1761 D1762 E1763 | F1757-S1759 PolarHBondContact O-N 3.29Å; S1759-E1761 PolarHBondContact O-N 2.92Å; S1759-D1762 PolarHBondContact O-N 3.36Å; S1759-E1763 WeakPolarHBondContact O-CB 3.2Å; S1759-E1763 VanDerWaalsContact O-CG 3.29Å; S1759-E1763 WeakPolarHBondContact O-CG 3.41Å; S1759-E1763 PolarHBondContact O-N 3.32Å |
| 1760 | D | 39.3 | Very low | 43.1 | Very low | 108 Ų | 108 | 101.3 Ų | 101.3 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.2 | -33.3 | -168.5 | -54.6 | -1.3 | 0 | 0 | 0 | 113.5 | N1758 A1764 | N1758-D1760 PolarHBondContact O-N 3.36Å; D1760-A1764 PolarHBondContact O-N 3.08Å |
| 1761 | E | 42.7 | Very low | 45.6 | Very low | 138 Ų | 138 | 93.9 Ų | 93.9 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.7 | -37.4 | 177.5 | -77.4 | -158.1 | 172 | 0 | 0 | 111.6 | N1758 S1759 A1764 Q1765 | N1758-E1761 PolarHBondContact O-N 2.62Å; S1759-E1761 PolarHBondContact O-N 2.92Å; E1761-A1764 PolarHBondContact O-N 3.29Å; E1761-Q1765 PolarHBondContact O-N 3.09Å; E1761-Q1765 VanDerWaalsContact O-N 3.08Å |
| 1762 | D | 49.9 | Very low | 48.1 | Very low | 83 Ų | 83 | 89 Ų | 89 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 176.9 | -67.8 | -27.9 | 0 | 0 | 0 | 110.9 | S1759 Q1765 F1766 | S1759-D1762 PolarHBondContact O-N 3.36Å; D1762-Q1765 PolarHBondContact O-N 3.33Å; D1762-F1766 VanDerWaalsContact O-CB 3.3Å; D1762-F1766 WeakPolarHBondContact O-CB 3.28Å; D1762-F1766 PolarHBondContact O-N 3.37Å |
| 1763 | E | 54.3 | Low | 50.6 | Low | 70 Ų | 70 | 81.5 Ų | 81.5 | 33% | 0.327 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 173.6 | -80.5 | 175.2 | -158.2 | 0 | 0 | 112.5 | S1759 F1766 L1767 L1911 | S1759-E1763 WeakPolarHBondContact O-CB 3.2Å; S1759-E1763 VanDerWaalsContact O-CG 3.29Å; S1759-E1763 WeakPolarHBondContact O-CG 3.41Å; S1759-E1763 PolarHBondContact O-N 3.32Å; E1763-F1766 PolarHBondContact O-N 2.7Å; E1763-L1767 PolarHBondContact O-N 3.23Å; E1763-L1911 HydrophobicContact CG-CD2 3.68Å; E1763-L1911 VanDerWaalsContact OE1-CD2 3.26Å; E1763-L1911 WeakPolarHBondContact OE1-CD2 3.24Å |
| 1764 | A | 56.3 | Low | 53.1 | Low | 61 Ų | 61 | 81.6 Ų | 81.6 | 50% | 0.504 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1760 E1761 A1768 | D1760-A1764 PolarHBondContact O-N 3.08Å; E1761-A1764 PolarHBondContact O-N 3.29Å; A1764-A1768 VanDerWaalsContact O-CB 3.28Å; A1764-A1768 WeakPolarHBondContact O-CB 3.3Å; A1764-A1768 PolarHBondContact O-N 3.46Å |
| 1765 | Q | 58.4 | Low | 55.7 | Low | 117 Ų | 117 | 81.8 Ų | 81.8 | 55% | 0.547 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 173.7 | -77.1 | -179.1 | 6.1 | 0 | 0 | 111.7 | E1761 D1762 L1767 A1768 D1769 | E1761-Q1765 PolarHBondContact O-N 3.09Å; E1761-Q1765 VanDerWaalsContact O-N 3.08Å; D1762-Q1765 PolarHBondContact O-N 3.33Å; Q1765-L1767 VanDerWaalsContact C-N 3.34Å; Q1765-L1767 PolarHBondContact O-N 2.86Å; Q1765-A1768 PolarHBondContact O-N 3.37Å; Q1765-A1768 VanDerWaalsContact O-N 3.16Å; Q1765-D1769 PolarHBondContact O-N 3.44Å |
| 1766 | F | 63.6 | Low | 58.4 | Low | 51 Ų | 51 | 74 Ų | 74 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 176.6 | -178.2 | -95.6 | 0 | 0 | 0 | 112.2 | V1735 T1739 I1742 D1762 E1763 N1770 F1912 | V1735-F1766 HydrophobicContact CG1-CE1 3.95Å; T1739-F1766 HydrophobicContact CG2-CE1 4.04Å; T1739-F1766 HydrophobicContact CG2-CZ 3.91Å; I1742-F1766 HydrophobicContact CD1-CE2 4.01Å; D1762-F1766 VanDerWaalsContact O-CB 3.3Å; D1762-F1766 WeakPolarHBondContact O-CB 3.28Å; D1762-F1766 PolarHBondContact O-N 3.37Å; E1763-F1766 PolarHBondContact O-N 2.7Å; F1766-N1770 WeakPolarHBondContact CE2-ND2 3.39Å; F1766-N1770 PolarHBondContact O-N 3.37Å; F1766-N1770 PolarHBondContact O-ND2 3.37Å; F1766-F1912 HydrophobicContact CE1-CZ 4.22Å |
| 1767 | L | 58.2 | Low | 60.9 | Low | 46 Ų | 46 | 66.9 Ų | 66.9 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 174.2 | -75.6 | 168.7 | 0 | 0 | 0 | 112 | V1735 E1763 Q1765 D1769 N1770 L1771 F1912 | V1735-L1767 HydrophobicContact CG1-CD2 4Å; V1735-L1767 HydrophobicContact CG2-CD2 4.31Å; E1763-L1767 PolarHBondContact O-N 3.23Å; Q1765-L1767 VanDerWaalsContact C-N 3.34Å; Q1765-L1767 PolarHBondContact O-N 2.86Å; L1767-D1769 VanDerWaalsContact C-N 3.26Å; L1767-D1769 PolarHBondContact O-N 3.47Å; L1767-N1770 PolarHBondContact O-N 2.89Å; L1767-L1771 VanDerWaalsContact O-CB 3.32Å; L1767-L1771 WeakPolarHBondContact O-CB 3.27Å; L1767-L1771 PolarHBondContact O-N 2.85Å; L1767-L1771 VanDerWaalsContact O-N 3.1Å; L1767-F1912 HydrophobicContact CD2-CE1 4.2Å |
| 1768 | A | 62.7 | Low | 63.5 | Low | 63 Ų | 63 | 64 Ų | 64 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -28.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1764 Q1765 | A1764-A1768 VanDerWaalsContact O-CB 3.28Å; A1764-A1768 WeakPolarHBondContact O-CB 3.3Å; A1764-A1768 PolarHBondContact O-N 3.46Å; Q1765-A1768 PolarHBondContact O-N 3.37Å; Q1765-A1768 VanDerWaalsContact O-N 3.16Å |
| 1769 | D | 66.7 | Low | 65.9 | Low | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -83.6 | -23.9 | 178.2 | -81.8 | -30.8 | 0 | 0 | 0 | 114.1 | Y1663 R1670 Q1765 L1767 | Y1663-D1769 HydrophobicContact CD2-CB 4.43Å; Y1663-D1769 HydrophobicContact CE2-CB 4.02Å; R1670-D1769 IonicContact NH1-OD1 3.5Å; R1670-D1769 PolarHBondContact NH1-OD1 3.21Å; Q1765-D1769 PolarHBondContact O-N 3.44Å; L1767-D1769 VanDerWaalsContact C-N 3.26Å; L1767-D1769 PolarHBondContact O-N 3.47Å |
| 1770 | N | 71.2 | Confident | 67.7 | Low | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -106.7 | -8.6 | -173.5 | -70 | -65 | 0 | 0 | 0 | 114.6 | R1662 L1666 V1735 S1738 F1766 L1767 | R1662-N1770 PolarHBondContact NH2-O 3.38Å; L1666-N1770 WeakPolarHBondContact CD1-O 3.35Å; V1735-N1770 HydrophobicContact CG1-CB 4.4Å; S1738-N1770 VanDerWaalsContact CB-OD1 3.27Å; S1738-N1770 WeakPolarHBondContact CB-OD1 3.39Å; S1738-N1770 VanDerWaalsContact OG-CG 3.31Å; S1738-N1770 PolarHBondContact OG-OD1 3.46Å; F1766-N1770 WeakPolarHBondContact CE2-ND2 3.39Å; F1766-N1770 PolarHBondContact O-N 3.37Å; F1766-N1770 PolarHBondContact O-ND2 3.37Å; L1767-N1770 PolarHBondContact O-N 2.89Å |
| 1771 | L | 75.6 | Confident | 70 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -109.1 | 144.7 | 177.9 | -160.5 | 71.1 | 0 | 0 | 0 | 110.8 | V1733 V1735 L1767 L1777 | V1733-L1771 HydrophobicContact CG1-CD1 4.31Å; V1735-L1771 HydrophobicContact CG2-CD1 4.14Å; L1767-L1771 VanDerWaalsContact O-CB 3.32Å; L1767-L1771 WeakPolarHBondContact O-CB 3.27Å; L1767-L1771 PolarHBondContact O-N 2.85Å; L1767-L1771 VanDerWaalsContact O-N 3.1Å; L1771-L1777 HydrophobicContact CD2-CD2 3.83Å; L1771-L1777 HydrophobicContact CG-CD2 4.22Å |
| 1772 | P | 77.8 | Confident | 72 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | trans | -55.8 | 150.5 | 168.8 | -24 | 32.4 | 0 | 0 | 0 | 112.6 | L1666 L1732 L1774 L1776 | L1666-P1772 HydrophobicContact CD2-CB 4.24Å; L1666-P1772 HydrophobicContact CD2-CG 3.73Å; L1732-P1772 HydrophobicContact CD2-CB 4.41Å; L1732-P1772 HydrophobicContact CD2-CG 3.43Å; L1732-P1772 VanDerWaalsContact CD2-CG 3.43Å; L1732-P1772 HydrophobicContact CG-CG 4.21Å; P1772-L1774 PolarHBondContact O-N 3.21Å; P1772-L1776 HydrophobicContact CB-CD2 4.02Å; P1772-L1776 HydrophobicContact CB-CG 4.29Å | ||
| 1773 | D | 76.8 | Confident | 73.6 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 24% | 0.235 | 26% | 0.256 | C | S | . | . | trans | -48 | 139.7 | 172.6 | -81.7 | -7.9 | 0 | 0 | 0 | 111.6 | R1670 H1671 N1775 L1776 L1777 | R1670-D1773 VanDerWaalsContact CA-OD2 3.28Å; R1670-D1773 WeakPolarHBondContact CA-OD2 3.3Å; R1670-D1773 WeakPolarHBondContact CG-OD1 3.36Å; H1671-D1773 PolarHBondContact N-OD2 2.9Å; D1773-N1775 PolarHBondContact O-N 3.47Å; D1773-L1776 HydrophobicContact CB-CB 4.38Å; D1773-L1776 WeakPolarHBondContact O-CA 3.47Å; D1773-L1776 WeakPolarHBondContact O-CB 3.22Å; D1773-L1776 PolarHBondContact O-N 3.07Å; D1773-L1777 PolarHBondContact O-N 3.47Å | ||
| 1774 | L | 74.3 | Confident | 75 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 48% | 0.482 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -50.7 | -36.2 | -177 | -165 | 78.7 | 0 | 0 | 0 | 113.3 | P1772 K1778 I1817 | P1772-L1774 PolarHBondContact O-N 3.21Å; L1774-K1778 WeakPolarHBondContact O-CB 3.14Å; L1774-K1778 VanDerWaalsContact O-CG 3.31Å; L1774-K1778 WeakPolarHBondContact O-CG 3.3Å; L1774-K1778 PolarHBondContact O-N 3.09Å; L1774-I1817 HydrophobicContact CD1-CD1 3.22Å; L1774-I1817 HydrophobicContact CD1-CG1 3.96Å; L1774-I1817 HydrophobicContact CG-CD1 3.98Å |
| 1775 | N | 79.1 | Confident | 76.4 | Confident | 89 Ų | 89 | 41.4 Ų | 41.4 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.7 | -41.4 | 178.4 | -65 | -33.1 | 0 | 0 | 0 | 112.6 | D1773 L1777 E1779 | D1773-N1775 PolarHBondContact O-N 3.47Å; N1775-L1777 VanDerWaalsContact C-N 3.33Å; N1775-E1779 WeakPolarHBondContact O-CG 3.06Å; N1775-E1779 PolarHBondContact O-N 3.32Å; N1775-E1779 VanDerWaalsContact O-N 3.17Å |
| 1776 | L | 82.6 | Confident | 77.6 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -41.4 | 176 | 175.5 | 59.9 | 0 | 0 | 0 | 109.9 | L1669 R1698 L1702 P1772 D1773 E1779 L1780 | L1669-L1776 HydrophobicContact CB-CD2 3.95Å; L1669-L1776 HydrophobicContact CD1-CD2 4.26Å; R1698-L1776 HydrophobicContact CG-CD1 4.19Å; L1702-L1776 HydrophobicContact CD1-CD1 3.74Å; L1702-L1776 HydrophobicContact CD2-CD1 3.69Å; L1702-L1776 HydrophobicContact CG-CD1 3.7Å; P1772-L1776 HydrophobicContact CB-CD2 4.02Å; P1772-L1776 HydrophobicContact CB-CG 4.29Å; D1773-L1776 HydrophobicContact CB-CB 4.38Å; D1773-L1776 WeakPolarHBondContact O-CA 3.47Å; D1773-L1776 WeakPolarHBondContact O-CB 3.22Å; D1773-L1776 PolarHBondContact O-N 3.07Å; L1776-E1779 PolarHBondContact O-N 3.41Å; L1776-L1780 HydrophobicContact CD1-CD1 4.22Å; L1776-L1780 HydrophobicContact CD1-CG 4.21Å; L1776-L1780 HydrophobicContact CG-CD1 4.09Å; L1776-L1780 HydrophobicContact CG-CG 4.49Å; L1776-L1780 WeakPolarHBondContact O-CB 3.44Å; L1776-L1780 WeakPolarHBondContact O-CG 3.44Å; L1776-L1780 PolarHBondContact O-N 3.26Å |
| 1777 | L | 82.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.2 | -167.7 | 60 | 0 | 0 | 0 | 112 | V1733 L1771 D1773 N1775 E1779 L1780 V1781 I1808 I1817 | V1733-L1777 HydrophobicContact CG2-CD1 4.37Å; L1771-L1777 HydrophobicContact CD2-CD2 3.83Å; L1771-L1777 HydrophobicContact CG-CD2 4.22Å; D1773-L1777 PolarHBondContact O-N 3.47Å; N1775-L1777 VanDerWaalsContact C-N 3.33Å; L1777-E1779 VanDerWaalsContact C-N 3.34Å; L1777-E1779 PolarHBondContact O-N 3.22Å; L1777-L1780 PolarHBondContact O-N 2.81Å; L1777-V1781 WeakPolarHBondContact O-CB 3.39Å; L1777-V1781 VanDerWaalsContact O-CG2 3.25Å; L1777-V1781 WeakPolarHBondContact O-CG2 3.35Å; L1777-V1781 PolarHBondContact O-N 3.07Å; L1777-I1808 HydrophobicContact CD1-CD1 3.59Å; L1777-I1808 HydrophobicContact CD1-CG1 3.95Å; L1777-I1808 HydrophobicContact CD2-CG2 4.4Å; L1777-I1817 HydrophobicContact CB-CD1 4.17Å; L1777-I1817 HydrophobicContact CD2-CD1 3.56Å; L1777-I1817 HydrophobicContact CG-CD1 3.92Å |
| 1778 | K | 82.8 | Confident | 79.9 | Confident | 75 Ų | 75 | 35.8 Ų | 35.8 | 33% | 0.326 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.5 | -44.5 | 174.5 | -77.6 | -176.8 | -175.2 | -133.4 | 0 | 112.4 | L1774 L1782 I1817 E1820 | L1774-K1778 WeakPolarHBondContact O-CB 3.14Å; L1774-K1778 VanDerWaalsContact O-CG 3.31Å; L1774-K1778 WeakPolarHBondContact O-CG 3.3Å; L1774-K1778 PolarHBondContact O-N 3.09Å; K1778-L1782 WeakPolarHBondContact O-CB 3.28Å; K1778-L1782 PolarHBondContact O-N 2.99Å; K1778-L1782 VanDerWaalsContact O-N 3.09Å; K1778-I1817 HydrophobicContact CB-CG2 4.4Å; K1778-I1817 HydrophobicContact CG-CD1 4.26Å; K1778-I1817 HydrophobicContact CG-CG1 4.02Å; K1778-I1817 HydrophobicContact CG-CG2 3.75Å; K1778-E1820 IonicContact NZ-OE1 3.54Å; K1778-E1820 IonicContact NZ-OE2 2.67Å; K1778-E1820 PolarHBondContact NZ-OE2 2.8Å |
| 1779 | E | 82.6 | Confident | 80.8 | Confident | 74 Ų | 74 | 33.5 Ų | 33.5 | 35% | 0.346 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67 | -43.7 | 178.6 | -73.3 | 168.4 | 173.1 | 0 | 0 | 111.9 | R1698 L1702 N1775 L1776 L1777 L1782 I1783 | R1698-E1779 IonicContact CZ-OE2 4Å; R1698-E1779 IonicContact NE-OE2 2.67Å; R1698-E1779 IonicContact NH2-OE1 3.95Å; R1698-E1779 PolarHBondContact NH2-OE1 3.26Å; R1698-E1779 IonicContact NH2-OE2 3.14Å; R1698-E1779 PolarHBondContact NH2-OE2 3.31Å; L1702-E1779 WeakPolarHBondContact CD1-OE2 3.42Å; L1702-E1779 HydrophobicContact CD2-CB 4.08Å; N1775-E1779 WeakPolarHBondContact O-CG 3.06Å; N1775-E1779 PolarHBondContact O-N 3.32Å; N1775-E1779 VanDerWaalsContact O-N 3.17Å; L1776-E1779 PolarHBondContact O-N 3.41Å; L1777-E1779 VanDerWaalsContact C-N 3.34Å; L1777-E1779 PolarHBondContact O-N 3.22Å; E1779-L1782 PolarHBondContact O-N 3.49Å; E1779-I1783 WeakPolarHBondContact O-CD1 2.95Å; E1779-I1783 VanDerWaalsContact O-CG1 3.25Å; E1779-I1783 WeakPolarHBondContact O-CG1 3.32Å; E1779-I1783 PolarHBondContact O-N 2.91Å |
| 1780 | L | 85.2 | Confident | 81.4 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 177 | -73.3 | 174.5 | 0 | 0 | 0 | 112.3 | F1701 L1702 V1705 L1729 L1732 L1776 L1777 L1782 I1783 L1784 | F1701-L1780 HydrophobicContact CE1-CD2 4.49Å; L1702-L1780 HydrophobicContact CD2-CD2 3.88Å; L1702-L1780 HydrophobicContact CD2-CG 4.19Å; V1705-L1780 HydrophobicContact CG1-CD2 3.99Å; L1729-L1780 HydrophobicContact CD2-CD1 4.25Å; L1729-L1780 HydrophobicContact CD2-CD2 3.91Å; L1732-L1780 HydrophobicContact CD2-CD1 4.18Å; L1776-L1780 HydrophobicContact CD1-CD1 4.22Å; L1776-L1780 HydrophobicContact CD1-CG 4.21Å; L1776-L1780 HydrophobicContact CG-CD1 4.09Å; L1776-L1780 HydrophobicContact CG-CG 4.49Å; L1776-L1780 WeakPolarHBondContact O-CB 3.44Å; L1776-L1780 WeakPolarHBondContact O-CG 3.44Å; L1776-L1780 PolarHBondContact O-N 3.26Å; L1777-L1780 PolarHBondContact O-N 2.81Å; L1780-L1782 VanDerWaalsContact C-N 3.34Å; L1780-L1782 PolarHBondContact O-N 2.99Å; L1780-I1783 PolarHBondContact O-N 3.34Å; L1780-L1784 WeakPolarHBondContact O-CG 3.33Å; L1780-L1784 PolarHBondContact O-N 3.21Å |
| 1781 | V | 85.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L1777 I1783 L1784 I1785 L1805 I1808 I1817 V1818 S1821 | L1777-V1781 WeakPolarHBondContact O-CB 3.39Å; L1777-V1781 VanDerWaalsContact O-CG2 3.25Å; L1777-V1781 WeakPolarHBondContact O-CG2 3.35Å; L1777-V1781 PolarHBondContact O-N 3.07Å; V1781-I1783 VanDerWaalsContact C-N 3.33Å; V1781-I1783 PolarHBondContact O-N 2.9Å; V1781-L1784 PolarHBondContact O-N 3.25Å; V1781-I1785 HydrophobicContact CG1-CD1 3.9Å; V1781-I1785 HydrophobicContact CG1-CG1 4.49Å; V1781-I1785 WeakPolarHBondContact O-CG1 3.43Å; V1781-I1785 PolarHBondContact O-N 2.91Å; V1781-L1805 HydrophobicContact CB-CD2 4.45Å; V1781-L1805 HydrophobicContact CG1-CD2 3.93Å; V1781-L1805 HydrophobicContact CG2-CD2 4.21Å; V1781-I1808 HydrophobicContact CG2-CD1 3.47Å; V1781-I1808 VanDerWaalsContact CG2-CD1 3.47Å; V1781-I1817 HydrophobicContact CB-CG2 4.28Å; V1781-I1817 HydrophobicContact CG1-CG2 4.49Å; V1781-I1817 HydrophobicContact CG2-CG2 4.12Å; V1781-V1818 HydrophobicContact CG1-CG2 4.18Å; V1781-V1818 HydrophobicContact CG2-CG2 4.26Å; V1781-S1821 WeakPolarHBondContact CG1-OG 3.42Å |
| 1782 | L | 85.1 | Confident | 81.2 | Confident | 75 Ų | 75 | 41 Ų | 41 | 39% | 0.393 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 176.1 | -170 | 69 | 0 | 0 | 0 | 111.9 | K1778 E1779 L1780 K1786 T1826 | K1778-L1782 WeakPolarHBondContact O-CB 3.28Å; K1778-L1782 PolarHBondContact O-N 2.99Å; K1778-L1782 VanDerWaalsContact O-N 3.09Å; E1779-L1782 PolarHBondContact O-N 3.49Å; L1780-L1782 VanDerWaalsContact C-N 3.34Å; L1780-L1782 PolarHBondContact O-N 2.99Å; L1782-K1786 VanDerWaalsContact O-CB 3.3Å; L1782-K1786 WeakPolarHBondContact O-CB 3.15Å; L1782-K1786 PolarHBondContact O-N 3.38Å; L1782-T1826 HydrophobicContact CD1-CG2 3.75Å; L1782-T1826 VanDerWaalsContact CD1-OG1 3.28Å; L1782-T1826 WeakPolarHBondContact CD1-OG1 3.44Å |
| 1783 | I | 83.4 | Confident | 81.2 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.2 | -64.4 | 161.6 | 0 | 0 | 0 | 110.9 | L1702 V1705 D1706 L1709 E1779 L1780 V1781 K1786 H1787 | L1702-I1783 HydrophobicContact CD2-CD1 4.04Å; V1705-I1783 HydrophobicContact CG1-CD1 4.42Å; V1705-I1783 HydrophobicContact CG1-CG2 4.19Å; D1706-I1783 HydrophobicContact CB-CD1 4.02Å; D1706-I1783 HydrophobicContact CB-CG1 4.24Å; D1706-I1783 HydrophobicContact CB-CG2 4.41Å; L1709-I1783 HydrophobicContact CB-CG2 4.25Å; L1709-I1783 HydrophobicContact CD1-CG2 3.93Å; E1779-I1783 WeakPolarHBondContact O-CD1 2.95Å; E1779-I1783 VanDerWaalsContact O-CG1 3.25Å; E1779-I1783 WeakPolarHBondContact O-CG1 3.32Å; E1779-I1783 PolarHBondContact O-N 2.91Å; L1780-I1783 PolarHBondContact O-N 3.34Å; V1781-I1783 VanDerWaalsContact C-N 3.33Å; V1781-I1783 PolarHBondContact O-N 2.9Å; I1783-K1786 PolarHBondContact O-N 3.3Å; I1783-H1787 WeakPolarHBondContact O-CB 3.39Å; I1783-H1787 PolarHBondContact O-N 3.46Å |
| 1784 | L | 84.8 | Confident | 81.2 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 176.9 | -73.3 | 169.1 | 0 | 0 | 0 | 111.6 | L1709 L1726 L1729 L1780 V1781 H1787 I1788 P1804 L1805 | L1709-L1784 HydrophobicContact CD1-CD2 4.39Å; L1726-L1784 HydrophobicContact CD2-CD2 3.63Å; L1729-L1784 HydrophobicContact CD1-CD2 4.29Å; L1780-L1784 WeakPolarHBondContact O-CG 3.33Å; L1780-L1784 PolarHBondContact O-N 3.21Å; V1781-L1784 PolarHBondContact O-N 3.25Å; L1784-H1787 WeakPolarHBondContact O-CB 2.96Å; L1784-H1787 PolarHBondContact O-N 2.75Å; L1784-I1788 WeakPolarHBondContact O-CD1 3.32Å; L1784-I1788 VanDerWaalsContact O-CG1 3.22Å; L1784-I1788 WeakPolarHBondContact O-CG1 3.21Å; L1784-I1788 PolarHBondContact O-N 2.85Å; L1784-P1804 HydrophobicContact CD1-CB 3.92Å; L1784-P1804 HydrophobicContact CD1-CG 4.4Å; L1784-L1805 HydrophobicContact CB-CD2 4.25Å; L1784-L1805 HydrophobicContact CB-CG 4.46Å; L1784-L1805 HydrophobicContact CD1-CD2 4.02Å; L1784-L1805 HydrophobicContact CD1-CG 4.28Å |
| 1785 | I | 84.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.9 | -72.3 | 172.3 | 0 | 0 | 0 | 111.2 | V1781 H1787 I1788 N1789 S1821 L1822 A1827 L1834 | V1781-I1785 HydrophobicContact CG1-CD1 3.9Å; V1781-I1785 HydrophobicContact CG1-CG1 4.49Å; V1781-I1785 WeakPolarHBondContact O-CG1 3.43Å; V1781-I1785 PolarHBondContact O-N 2.91Å; I1785-H1787 VanDerWaalsContact C-N 3.25Å; I1785-H1787 PolarHBondContact O-N 3.05Å; I1785-I1788 PolarHBondContact O-N 2.89Å; I1785-N1789 WeakPolarHBondContact O-CB 3.29Å; I1785-N1789 PolarHBondContact O-N 3.33Å; I1785-S1821 WeakPolarHBondContact CD1-OG 3.37Å; I1785-L1822 HydrophobicContact CD1-CD2 4.13Å; I1785-L1822 HydrophobicContact CD1-CG 4.38Å; I1785-A1827 HydrophobicContact CG2-CB 4.13Å; I1785-L1834 HydrophobicContact CG2-CD1 4.02Å |
| 1786 | K | 84.1 | Confident | 81.6 | Confident | 93 Ų | 93 | 36.6 Ų | 36.6 | 40% | 0.404 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.1 | -36 | 175.1 | 179.1 | -175.3 | 167.3 | -158.9 | 0 | 112 | D1706 L1782 I1783 | D1706-K1786 IonicContact OD1-NZ 3.85Å; D1706-K1786 PolarHBondContact OD1-NZ 2.89Å; D1706-K1786 IonicContact OD2-NZ 2.63Å; D1706-K1786 PolarHBondContact OD2-NZ 2.75Å; L1782-K1786 VanDerWaalsContact O-CB 3.3Å; L1782-K1786 WeakPolarHBondContact O-CB 3.15Å; L1782-K1786 PolarHBondContact O-N 3.38Å; I1783-K1786 PolarHBondContact O-N 3.3Å |
| 1787 | H | 85.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.7 | -45.7 | 176.3 | 176.6 | 89.9 | 0 | 0 | 0 | 112.1 | L1709 I1783 L1784 I1785 R1793 | L1709-H1787 HydrophobicContact CB-CB 4.24Å; L1709-H1787 WeakPolarHBondContact CB-ND1 3.27Å; L1709-H1787 PolarHBondContact O-ND1 3.18Å; I1783-H1787 WeakPolarHBondContact O-CB 3.39Å; I1783-H1787 PolarHBondContact O-N 3.46Å; L1784-H1787 WeakPolarHBondContact O-CB 2.96Å; L1784-H1787 PolarHBondContact O-N 2.75Å; I1785-H1787 VanDerWaalsContact C-N 3.25Å; I1785-H1787 PolarHBondContact O-N 3.05Å; H1787-R1793 PolarHBondContact CE1-NH1 3.11Å; H1787-R1793 PolarHBondContact ND1-NH1 3.21Å; H1787-R1793 PolarHBondContact ND1-NH2 2.91Å; H1787-R1793 PolarHBondContact O-NE 2.83Å |
| 1788 | I | 84.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.3 | -40.1 | -178.8 | -65 | 163.4 | 0 | 0 | 0 | 111.9 | L1784 I1785 H1790 A1801 L1802 L1805 L1834 L1838 | L1784-I1788 WeakPolarHBondContact O-CD1 3.32Å; L1784-I1788 VanDerWaalsContact O-CG1 3.22Å; L1784-I1788 WeakPolarHBondContact O-CG1 3.21Å; L1784-I1788 PolarHBondContact O-N 2.85Å; I1785-I1788 PolarHBondContact O-N 2.89Å; I1788-H1790 VanDerWaalsContact C-N 3.26Å; I1788-H1790 PolarHBondContact O-N 3.45Å; I1788-A1801 HydrophobicContact CD1-CB 4.24Å; I1788-A1801 HydrophobicContact CG1-CB 3.95Å; I1788-L1802 HydrophobicContact CD1-CD2 3.98Å; I1788-L1805 HydrophobicContact CD1-CD1 3.59Å; I1788-L1834 HydrophobicContact CB-CD1 4.11Å; I1788-L1834 HydrophobicContact CG2-CD1 3.82Å; I1788-L1834 HydrophobicContact CG2-CG 4.26Å; I1788-L1838 HydrophobicContact CG2-CD1 3.63Å; I1788-L1838 HydrophobicContact CG2-CD2 3.81Å; I1788-L1838 HydrophobicContact CG2-CG 4.11Å |
| 1789 | N | 82.5 | Confident | 82 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -2.4 | -173.9 | -158.4 | 18.3 | 0 | 0 | 0 | 115 | I1785 T1826 A1827 N1829 L1834 N1837 | I1785-N1789 WeakPolarHBondContact O-CB 3.29Å; I1785-N1789 PolarHBondContact O-N 3.33Å; N1789-T1826 PolarHBondContact ND2-O 2.87Å; N1789-A1827 VanDerWaalsContact ND2-C 3.25Å; N1789-A1827 PolarHBondContact ND2-O 3.49Å; N1789-N1829 PolarHBondContact O-ND2 3.15Å; N1789-N1829 VanDerWaalsContact O-ND2 3.15Å; N1789-N1829 WeakPolarHBondContact OD1-CB 3.4Å; N1789-L1834 HydrophobicContact CB-CD1 4.18Å; N1789-N1837 PolarHBondContact OD1-ND2 3Å; N1789-N1837 VanDerWaalsContact OD1-ND2 3.16Å |
| 1790 | H | 79.1 | Confident | 82.2 | Confident | 58 Ų | 58 | 31.7 Ų | 31.7 | 27% | 0.269 | 17% | 0.169 | S | C | . | . | trans | -73.1 | 127.9 | -178.4 | -169 | -76.7 | 0 | 0 | 0 | 110.9 | I1788 D1792 R1841 | I1788-H1790 VanDerWaalsContact C-N 3.26Å; I1788-H1790 PolarHBondContact O-N 3.45Å; H1790-D1792 PolarHBondContact ND1-N 3.16Å; H1790-R1841 PolarHBondContact O-NH1 3.18Å; H1790-R1841 PolarHBondContact O-NH2 3.2Å | ||
| 1791 | P | 71 | Confident | 82.2 | Confident | 68 Ų | 68 | 31.5 Ų | 31.5 | 44% | 0.442 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.7 | -167 | 32.7 | -36.1 | 0 | 0 | 0 | 116.2 | R1841 | P1791-R1841 PolarHBondContact O-NH2 3.38Š|
| 1792 | D | 71.1 | Confident | 82.3 | Confident | 138 Ų | 138 | 31.5 Ų | 31.5 | 74% | 0.738 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 8.7 | -179 | -52.5 | -42.6 | 0 | 0 | 0 | 114.6 | H1790 | H1790-D1792 PolarHBondContact ND1-N 3.16Š|
| 1793 | R | 78.3 | Confident | 82.3 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 9% | 0.087 | 17% | 0.166 | C | C | . | . | trans | -83.9 | 142.3 | -178.2 | -170.1 | -174 | -64.2 | -92.9 | -6.5 | 111.8 | L1709 H1787 R1841 | L1709-R1793 PolarHBondContact O-NH1 2.86Å; L1709-R1793 PolarHBondContact O-NH2 3.23Å; H1787-R1793 PolarHBondContact CE1-NH1 3.11Å; H1787-R1793 PolarHBondContact ND1-NH1 3.21Å; H1787-R1793 PolarHBondContact ND1-NH2 2.91Å; H1787-R1793 PolarHBondContact O-NE 2.83Å; R1793-R1841 PolarHBondContact O-NH2 3.41Å; R1793-R1841 VanDerWaalsContact O-NH2 3.09Å | ||
| 1794 | D | 76.5 | Confident | 82.4 | Confident | 74 Ų | 74 | 30.2 Ų | 30.2 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | trans | -65.6 | 147.9 | 170.6 | -174.3 | 18.9 | 0 | 0 | 0 | 112.6 | T1796 | D1794-T1796 VanDerWaalsContact C-N 3.25Å; D1794-T1796 PolarHBondContact O-N 3.23Å; D1794-T1796 WeakPolarHBondContact OD2-CG2 3.4Å; D1794-T1796 PolarHBondContact OD2-OG1 3.25Å | ||
| 1795 | M | 79.6 | Confident | 82.4 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -70.8 | -18.4 | -175 | -66.5 | -61.9 | -147.6 | 0 | 0 | 113.4 | T1797 L1798 P1799 R1841 V1842 S1845 D1852 | M1795-T1797 VanDerWaalsContact C-N 3.25Å; M1795-T1797 PolarHBondContact O-N 3.46Å; M1795-T1797 VanDerWaalsContact O-N 3.11Å; M1795-L1798 PolarHBondContact O-N 3.32Å; M1795-L1798 VanDerWaalsContact O-N 3.12Å; M1795-L1798 HydrophobicContact SD-CD1 3.34Å; M1795-L1798 WeakPolarHBondContact SD-CD1 3.36Å; M1795-L1798 HydrophobicContact SD-CG 4.47Å; M1795-P1799 WeakPolarHBondContact O-CD 3.29Å; M1795-R1841 VanDerWaalsContact CE-C 3.45Å; M1795-R1841 HydrophobicContact CE-CB 3.71Å; M1795-R1841 VanDerWaalsContact CE-CD 3.46Å; M1795-R1841 HydrophobicContact CE-CG 3.39Å; M1795-R1841 WeakPolarHBondContact CE-O 3.5Å; M1795-R1841 HydrophobicContact SD-CG 4.27Å; M1795-V1842 HydrophobicContact CE-CG2 3.9Å; M1795-S1845 WeakPolarHBondContact CE-OG 3.47Å; M1795-D1852 HydrophobicContact CB-CB 4.07Å |
| 1796 | T | 83.1 | Confident | 82.3 | Confident | 33 Ų | 33 | 30.6 Ų | 30.6 | 20% | 0.202 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -53.4 | -33.4 | -175 | 47.9 | 0 | 0 | 0 | 0 | 115.2 | D1794 D1852 | D1794-T1796 VanDerWaalsContact C-N 3.25Å; D1794-T1796 PolarHBondContact O-N 3.23Å; D1794-T1796 WeakPolarHBondContact OD2-CG2 3.4Å; D1794-T1796 PolarHBondContact OD2-OG1 3.25Å; T1796-D1852 VanDerWaalsContact CG2-OD2 3.31Å; T1796-D1852 WeakPolarHBondContact CG2-OD2 3.11Å |
| 1797 | T | 83.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -94.7 | -14.8 | -177.5 | 55 | 0 | 0 | 0 | 0 | 114.2 | I1719 Q1722 I1723 L1726 M1795 A1801 | I1719-T1797 HydrophobicContact CG2-CG2 3.95Å; Q1722-T1797 HydrophobicContact CB-CG2 4.05Å; I1723-T1797 HydrophobicContact CG1-CG2 4.26Å; L1726-T1797 WeakPolarHBondContact CD1-O 3.45Å; M1795-T1797 VanDerWaalsContact C-N 3.25Å; M1795-T1797 PolarHBondContact O-N 3.46Å; M1795-T1797 VanDerWaalsContact O-N 3.11Å; T1797-A1801 PolarHBondContact O-N 2.69Å |
| 1798 | L | 87.5 | Confident | 82.1 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.8 | -41 | -173.7 | -59.7 | -174.8 | 0 | 0 | 0 | 113.9 | M1795 S1800 A1801 L1802 L1838 T1856 | M1795-L1798 PolarHBondContact O-N 3.32Å; M1795-L1798 VanDerWaalsContact O-N 3.12Å; M1795-L1798 HydrophobicContact SD-CD1 3.34Å; M1795-L1798 WeakPolarHBondContact SD-CD1 3.36Å; M1795-L1798 HydrophobicContact SD-CG 4.47Å; L1798-S1800 PolarHBondContact O-N 3.07Å; L1798-A1801 PolarHBondContact O-N 3.28Å; L1798-A1801 VanDerWaalsContact O-N 3.09Å; L1798-L1802 WeakPolarHBondContact O-CG 3.28Å; L1798-L1802 PolarHBondContact O-N 2.9Å; L1798-L1802 VanDerWaalsContact O-N 3.13Å; L1798-L1838 HydrophobicContact CD1-CD2 4Å; L1798-T1856 HydrophobicContact CB-CG2 3.99Å; L1798-T1856 HydrophobicContact CD1-CG2 4.15Å |
| 1799 | P | 85.6 | Confident | 81.8 | Confident | 21 Ų | 21 | 27.1 Ų | 27.1 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.8 | -49.7 | 177.8 | -25.4 | 32.9 | 0 | 0 | 0 | 112 | M1795 A1801 L1802 D1803 A1855 T1856 | M1795-P1799 WeakPolarHBondContact O-CD 3.29Å; P1799-A1801 PolarHBondContact O-N 3.36Å; P1799-L1802 PolarHBondContact O-N 3.43Å; P1799-L1802 VanDerWaalsContact O-N 3.15Å; P1799-D1803 PolarHBondContact O-N 3.47Å; P1799-A1855 HydrophobicContact CB-CB 3.91Å; P1799-A1855 HydrophobicContact CG-CB 3.7Å; P1799-T1856 WeakPolarHBondContact CD-OG1 3.48Å; P1799-T1856 WeakPolarHBondContact CG-OG1 3.41Å |
| 1800 | S | 85 | Confident | 81.6 | Confident | 24 Ų | 24 | 28.3 Ų | 28.3 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.7 | -22 | 178.8 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | L1798 P1804 | L1798-S1800 PolarHBondContact O-N 3.07Å; S1800-P1804 WeakPolarHBondContact O-CD 3.26Å |
| 1801 | A | 86.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -79.5 | -23.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1726 I1788 T1797 L1798 P1799 | L1726-A1801 HydrophobicContact CD1-CB 3.92Å; L1726-A1801 HydrophobicContact CD2-CB 3.99Å; I1788-A1801 HydrophobicContact CD1-CB 4.24Å; I1788-A1801 HydrophobicContact CG1-CB 3.95Å; T1797-A1801 PolarHBondContact O-N 2.69Å; L1798-A1801 PolarHBondContact O-N 3.28Å; L1798-A1801 VanDerWaalsContact O-N 3.09Å; P1799-A1801 PolarHBondContact O-N 3.36Å |
| 1802 | L | 87.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -78.3 | -32.8 | 176.1 | -68.3 | 165.9 | 0 | 0 | 0 | 111.8 | I1788 L1798 P1799 L1805 I1806 T1856 L1863 | I1788-L1802 HydrophobicContact CD1-CD2 3.98Å; L1798-L1802 WeakPolarHBondContact O-CG 3.28Å; L1798-L1802 PolarHBondContact O-N 2.9Å; L1798-L1802 VanDerWaalsContact O-N 3.13Å; P1799-L1802 PolarHBondContact O-N 3.43Å; P1799-L1802 VanDerWaalsContact O-N 3.15Å; L1802-L1805 WeakPolarHBondContact O-CB 3.49Å; L1802-L1805 PolarHBondContact O-N 3.41Å; L1802-L1805 VanDerWaalsContact O-N 3.09Å; L1802-I1806 HydrophobicContact CB-CD1 4.28Å; L1802-I1806 VanDerWaalsContact O-CG1 3.31Å; L1802-I1806 WeakPolarHBondContact O-CG1 3.32Å; L1802-I1806 PolarHBondContact O-N 3.16Å; L1802-T1856 HydrophobicContact CD1-CG2 4.41Å; L1802-L1863 HydrophobicContact CD2-CD2 4.12Å |
| 1803 | D | 85.5 | Confident | 81.6 | Confident | 69 Ų | 69 | 21.7 Ų | 21.7 | 37% | 0.369 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -54.7 | -49.5 | -178.4 | -67.8 | -31.9 | 0 | 0 | 0 | 113.9 | P1799 L1805 I1806 I1807 | P1799-D1803 PolarHBondContact O-N 3.47Å; D1803-L1805 VanDerWaalsContact C-N 3.32Å; D1803-L1805 PolarHBondContact O-N 2.95Å; D1803-I1806 PolarHBondContact O-N 3.32Å; D1803-I1807 VanDerWaalsContact O-CG1 3.28Å; D1803-I1807 WeakPolarHBondContact O-CG1 3.44Å; D1803-I1807 PolarHBondContact O-N 3.47Å |
| 1804 | P | 85 | Confident | 81.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 175.6 | -19.3 | 28.5 | 0 | 0 | 0 | 112.1 | L1729 L1784 S1800 I1806 I1807 I1808 | L1729-P1804 HydrophobicContact CB-CG 4.22Å; L1784-P1804 HydrophobicContact CD1-CB 3.92Å; L1784-P1804 HydrophobicContact CD1-CG 4.4Å; S1800-P1804 WeakPolarHBondContact O-CD 3.26Å; P1804-I1806 VanDerWaalsContact C-N 3.33Å; P1804-I1806 PolarHBondContact O-N 3.33Å; P1804-I1807 PolarHBondContact O-N 3.16Å; P1804-I1808 WeakPolarHBondContact O-CG1 3.46Å; P1804-I1808 PolarHBondContact O-N 3.03Å |
| 1805 | L | 84.2 | Confident | 81.8 | Confident | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 179.3 | -65.3 | 177.7 | 0 | 0 | 0 | 111.4 | V1781 L1784 I1788 L1802 D1803 I1808 T1809 V1818 L1863 | V1781-L1805 HydrophobicContact CB-CD2 4.45Å; V1781-L1805 HydrophobicContact CG1-CD2 3.93Å; V1781-L1805 HydrophobicContact CG2-CD2 4.21Å; L1784-L1805 HydrophobicContact CB-CD2 4.25Å; L1784-L1805 HydrophobicContact CB-CG 4.46Å; L1784-L1805 HydrophobicContact CD1-CD2 4.02Å; L1784-L1805 HydrophobicContact CD1-CG 4.28Å; I1788-L1805 HydrophobicContact CD1-CD1 3.59Å; L1802-L1805 WeakPolarHBondContact O-CB 3.49Å; L1802-L1805 PolarHBondContact O-N 3.41Å; L1802-L1805 VanDerWaalsContact O-N 3.09Å; D1803-L1805 VanDerWaalsContact C-N 3.32Å; D1803-L1805 PolarHBondContact O-N 2.95Å; L1805-I1808 PolarHBondContact O-N 2.95Å; L1805-T1809 VanDerWaalsContact O-CG2 3.3Å; L1805-T1809 WeakPolarHBondContact O-CG2 3.47Å; L1805-T1809 PolarHBondContact O-N 3.46Å; L1805-T1809 PolarHBondContact O-OG1 3.02Å; L1805-V1818 HydrophobicContact CD2-CG2 4.38Å; L1805-L1863 HydrophobicContact CB-CD1 4.08Å; L1805-L1863 HydrophobicContact CB-CD2 4.4Å; L1805-L1863 HydrophobicContact CD1-CD2 4.41Å |
| 1806 | I | 84.2 | Confident | 81.9 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 176.7 | -66.3 | 162.2 | 0 | 0 | 0 | 109.7 | L1802 D1803 P1804 I1808 T1809 E1810 R1862 L1863 | L1802-I1806 HydrophobicContact CB-CD1 4.28Å; L1802-I1806 VanDerWaalsContact O-CG1 3.31Å; L1802-I1806 WeakPolarHBondContact O-CG1 3.32Å; L1802-I1806 PolarHBondContact O-N 3.16Å; D1803-I1806 PolarHBondContact O-N 3.32Å; P1804-I1806 VanDerWaalsContact C-N 3.33Å; P1804-I1806 PolarHBondContact O-N 3.33Å; I1806-I1808 PolarHBondContact O-N 2.88Å; I1806-T1809 PolarHBondContact O-N 3.36Å; I1806-T1809 VanDerWaalsContact O-N 3.17Å; I1806-T1809 PolarHBondContact O-OG1 2.78Å; I1806-E1810 PolarHBondContact O-N 2.92Å; I1806-R1862 HydrophobicContact CD1-CB 4.04Å; I1806-R1862 HydrophobicContact CD1-CG 4.08Å; I1806-R1862 HydrophobicContact CG2-CG 4.03Å; I1806-L1863 HydrophobicContact CG1-CB 3.89Å; I1806-L1863 HydrophobicContact CG1-CD1 4Å |
| 1807 | I | 81.9 | Confident | 81.7 | Confident | 21 Ų | 21 | 18.9 Ų | 18.9 | 11% | 0.108 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 179.3 | -64.5 | 167.1 | 0 | 0 | 0 | 111.3 | S1730 V1733 D1734 D1803 P1804 T1809 E1810 | S1730-I1807 WeakPolarHBondContact OG-CD1 3.48Å; V1733-I1807 HydrophobicContact CB-CG2 4.4Å; V1733-I1807 HydrophobicContact CG1-CB 4.33Å; V1733-I1807 HydrophobicContact CG1-CG2 3.79Å; D1734-I1807 VanDerWaalsContact CA-CG2 3.46Å; D1734-I1807 HydrophobicContact CB-CD1 4.35Å; D1734-I1807 HydrophobicContact CB-CG2 3.93Å; D1803-I1807 VanDerWaalsContact O-CG1 3.28Å; D1803-I1807 WeakPolarHBondContact O-CG1 3.44Å; D1803-I1807 PolarHBondContact O-N 3.47Å; P1804-I1807 PolarHBondContact O-N 3.16Å; I1807-T1809 VanDerWaalsContact C-N 3.26Å; I1807-T1809 PolarHBondContact O-N 3.45Å; I1807-E1810 WeakPolarHBondContact O-CB 3.42Å; I1807-E1810 PolarHBondContact O-N 2.74Å; I1807-E1810 VanDerWaalsContact O-N 3.16Å |
| 1808 | I | 81.4 | Confident | 81.7 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | 175.3 | -66.8 | 169.1 | 0 | 0 | 0 | 110.8 | V1733 L1777 V1781 P1804 L1805 I1806 E1810 H1811 G1814 V1818 | V1733-I1808 HydrophobicContact CB-CG1 4.3Å; V1733-I1808 HydrophobicContact CG1-CB 4.24Å; V1733-I1808 HydrophobicContact CG1-CD1 4.31Å; V1733-I1808 HydrophobicContact CG1-CG1 3.27Å; V1733-I1808 HydrophobicContact CG2-CD1 4.28Å; V1733-I1808 HydrophobicContact CG2-CG1 4.09Å; L1777-I1808 HydrophobicContact CD1-CD1 3.59Å; L1777-I1808 HydrophobicContact CD1-CG1 3.95Å; L1777-I1808 HydrophobicContact CD2-CG2 4.4Å; V1781-I1808 HydrophobicContact CG2-CD1 3.47Å; V1781-I1808 VanDerWaalsContact CG2-CD1 3.47Å; P1804-I1808 WeakPolarHBondContact O-CG1 3.46Å; P1804-I1808 PolarHBondContact O-N 3.03Å; L1805-I1808 PolarHBondContact O-N 2.95Å; I1806-I1808 PolarHBondContact O-N 2.88Å; I1808-E1810 PolarHBondContact O-N 3.11Å; I1808-H1811 PolarHBondContact O-N 3.1Å; I1808-G1814 VanDerWaalsContact CG2-CA 3.41Å; I1808-G1814 WeakPolarHBondContact O-CA 3.25Å; I1808-V1818 HydrophobicContact CB-CG2 4.13Å; I1808-V1818 HydrophobicContact CG2-CG2 3.6Å |
| 1809 | T | 78.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -5.5 | -178.1 | 57 | 0 | 0 | 0 | 0 | 114.9 | L1805 I1806 I1807 H1811 V1818 L1863 S1866 L1867 R1914 | L1805-T1809 VanDerWaalsContact O-CG2 3.3Å; L1805-T1809 WeakPolarHBondContact O-CG2 3.47Å; L1805-T1809 PolarHBondContact O-N 3.46Å; L1805-T1809 PolarHBondContact O-OG1 3.02Å; I1806-T1809 PolarHBondContact O-N 3.36Å; I1806-T1809 VanDerWaalsContact O-N 3.17Å; I1806-T1809 PolarHBondContact O-OG1 2.78Å; I1807-T1809 VanDerWaalsContact C-N 3.26Å; I1807-T1809 PolarHBondContact O-N 3.45Å; T1809-H1811 PolarHBondContact O-N 3.23Å; T1809-V1818 HydrophobicContact CG2-CB 3.84Å; T1809-V1818 HydrophobicContact CG2-CG1 3.75Å; T1809-V1818 HydrophobicContact CG2-CG2 3.93Å; T1809-L1863 HydrophobicContact CG2-CD1 4.05Å; T1809-S1866 WeakPolarHBondContact CB-OG 3.47Å; T1809-S1866 WeakPolarHBondContact OG1-CB 3.19Å; T1809-S1866 PolarHBondContact OG1-OG 3.35Å; T1809-L1867 HydrophobicContact CG2-CD2 3.78Å; T1809-R1914 WeakPolarHBondContact O-CD 3.34Å; T1809-R1914 PolarHBondContact O-NH1 3.36Å |
| 1810 | E | 78.8 | Confident | 81.2 | Confident | 41 Ų | 41 | 25.3 Ų | 25.3 | 19% | 0.192 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.4 | 174.8 | -61.6 | -171.3 | 152.9 | 0 | 0 | 112.6 | K1736 I1806 I1807 I1808 | K1736-E1810 WeakPolarHBondContact CE-OE2 3.15Å; K1736-E1810 IonicContact NZ-OE1 3.35Å; K1736-E1810 PolarHBondContact NZ-OE1 3.04Å; K1736-E1810 IonicContact NZ-OE2 3.91Å; K1736-E1810 PolarHBondContact NZ-OE2 3.04Å; I1806-E1810 PolarHBondContact O-N 2.92Å; I1807-E1810 WeakPolarHBondContact O-CB 3.42Å; I1807-E1810 PolarHBondContact O-N 2.74Å; I1807-E1810 VanDerWaalsContact O-N 3.16Å; I1808-E1810 PolarHBondContact O-N 3.11Å |
| 1811 | H | 75 | Confident | 81.1 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 5% | 0.046 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -119.2 | 143.8 | -179.8 | -52.5 | -69.5 | 0 | 0 | 0 | 111.8 | V1735 I1808 T1809 G1814 F1815 F1912 | V1735-H1811 WeakPolarHBondContact CB-NE2 3.34Å; V1735-H1811 VanDerWaalsContact CG2-NE2 3.27Å; V1735-H1811 WeakPolarHBondContact CG2-NE2 3.36Å; I1808-H1811 PolarHBondContact O-N 3.1Å; T1809-H1811 PolarHBondContact O-N 3.23Å; H1811-G1814 PolarHBondContact O-N 2.82Å; H1811-F1815 WeakPolarHBondContact O-CB 3.43Å; H1811-F1815 PolarHBondContact O-N 3.26Å; H1811-F1912 AromaticContact CE1-CD1 3.42Å; H1811-F1912 VanDerWaalsContact CE1-CD1 3.42Å; H1811-F1912 WeakPolarHBondContact CE1-CD1 3.44Å; H1811-F1912 AromaticContact CE1-CE1 3.81Å; H1811-F1912 AromaticContact ND1-CD1 3.61Å |
| 1812 | D | 74.7 | Confident | 80.7 | Confident | 49 Ų | 49 | 25.1 Ų | 25.1 | 26% | 0.262 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -56.9 | -45.3 | -177.5 | -73.8 | -34.6 | 0 | 0 | 0 | 114.2 | G1814 F1815 V1816 R1914 Q1915 L1916 | D1812-G1814 VanDerWaalsContact C-N 3.33Å; D1812-G1814 PolarHBondContact O-N 2.98Å; D1812-F1815 WeakPolarHBondContact O-CB 3.49Å; D1812-F1815 PolarHBondContact O-N 3.11Å; D1812-V1816 WeakPolarHBondContact O-CG2 3.31Å; D1812-V1816 PolarHBondContact O-N 2.68Å; D1812-V1816 VanDerWaalsContact O-N 3.08Å; D1812-R1914 WeakPolarHBondContact OD1-CG 3.48Å; D1812-Q1915 PolarHBondContact OD1-N 2.64Å; D1812-L1916 HydrophobicContact CB-CD1 4.13Å; D1812-L1916 PolarHBondContact OD1-N 2.59Å |
| 1813 | P | 71.4 | Confident | 80.3 | Confident | 65 Ų | 65 | 28.7 Ų | 28.7 | 42% | 0.422 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.5 | -38 | 177.8 | -20.1 | 32.3 | 0 | 0 | 0 | 112.6 | V1816 I1817 | P1813-V1816 PolarHBondContact O-N 2.91Å; P1813-I1817 WeakPolarHBondContact O-CG1 3.25Å; P1813-I1817 PolarHBondContact O-N 2.79Å |
| 1814 | G | 76.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.1 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1808 H1811 D1812 V1816 I1817 V1818 | I1808-G1814 VanDerWaalsContact CG2-CA 3.41Å; I1808-G1814 WeakPolarHBondContact O-CA 3.25Å; H1811-G1814 PolarHBondContact O-N 2.82Å; D1812-G1814 VanDerWaalsContact C-N 3.33Å; D1812-G1814 PolarHBondContact O-N 2.98Å; G1814-V1816 VanDerWaalsContact C-N 3.34Å; G1814-V1816 PolarHBondContact O-N 2.97Å; G1814-I1817 PolarHBondContact O-N 2.9Å; G1814-V1818 WeakPolarHBondContact O-CG2 3.47Å; G1814-V1818 PolarHBondContact O-N 2.85Å |
| 1815 | F | 81.8 | Confident | 79.6 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56 | -46.4 | 173 | 172.3 | -92.7 | 0 | 0 | 0 | 111.9 | H1811 D1812 I1817 V1818 K1819 L1867 L1916 I1918 | H1811-F1815 WeakPolarHBondContact O-CB 3.43Å; H1811-F1815 PolarHBondContact O-N 3.26Å; D1812-F1815 WeakPolarHBondContact O-CB 3.49Å; D1812-F1815 PolarHBondContact O-N 3.11Å; F1815-I1817 VanDerWaalsContact C-N 3.31Å; F1815-I1817 PolarHBondContact O-N 3.24Å; F1815-V1818 PolarHBondContact O-N 3.03Å; F1815-K1819 HydrophobicContact CE1-CD 4.14Å; F1815-K1819 HydrophobicContact CZ-CD 4.4Å; F1815-K1819 VanDerWaalsContact O-CB 3.25Å; F1815-K1819 WeakPolarHBondContact O-CB 3.3Å; F1815-K1819 PolarHBondContact O-N 3.12Å; F1815-L1867 HydrophobicContact CD2-CD2 3.71Å; F1815-L1867 HydrophobicContact CE2-CB 4.37Å; F1815-L1867 HydrophobicContact CE2-CD2 3.59Å; F1815-L1916 HydrophobicContact CD1-CB 3.52Å; F1815-L1916 HydrophobicContact CD1-CD1 4.06Å; F1815-L1916 HydrophobicContact CD1-CG 4.45Å; F1815-L1916 HydrophobicContact CE1-CB 3.54Å; F1815-L1916 HydrophobicContact CG-CB 4.37Å; F1815-L1916 HydrophobicContact CZ-CB 4.39Å; F1815-I1918 HydrophobicContact CE2-CG2 4.18Å; F1815-I1918 HydrophobicContact CZ-CG2 3.82Å |
| 1816 | V | 80.9 | Confident | 79.1 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 42% | 0.424 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -41.8 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | D1812 P1813 G1814 E1820 L1916 | D1812-V1816 WeakPolarHBondContact O-CG2 3.31Å; D1812-V1816 PolarHBondContact O-N 2.68Å; D1812-V1816 VanDerWaalsContact O-N 3.08Å; P1813-V1816 PolarHBondContact O-N 2.91Å; G1814-V1816 VanDerWaalsContact C-N 3.34Å; G1814-V1816 PolarHBondContact O-N 2.97Å; V1816-E1820 WeakPolarHBondContact O-CB 3.47Å; V1816-E1820 PolarHBondContact O-N 3.09Å; V1816-L1916 HydrophobicContact CG2-CD1 3.64Å |
| 1817 | I | 80 | Confident | 78.8 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -47.8 | 178.1 | -67 | 165.9 | 0 | 0 | 0 | 111.5 | L1774 L1777 K1778 V1781 P1813 G1814 F1815 K1819 E1820 S1821 | L1774-I1817 HydrophobicContact CD1-CD1 3.22Å; L1774-I1817 HydrophobicContact CD1-CG1 3.96Å; L1774-I1817 HydrophobicContact CG-CD1 3.98Å; L1777-I1817 HydrophobicContact CB-CD1 4.17Å; L1777-I1817 HydrophobicContact CD2-CD1 3.56Å; L1777-I1817 HydrophobicContact CG-CD1 3.92Å; K1778-I1817 HydrophobicContact CB-CG2 4.4Å; K1778-I1817 HydrophobicContact CG-CD1 4.26Å; K1778-I1817 HydrophobicContact CG-CG1 4.02Å; K1778-I1817 HydrophobicContact CG-CG2 3.75Å; V1781-I1817 HydrophobicContact CB-CG2 4.28Å; V1781-I1817 HydrophobicContact CG1-CG2 4.49Å; V1781-I1817 HydrophobicContact CG2-CG2 4.12Å; P1813-I1817 WeakPolarHBondContact O-CG1 3.25Å; P1813-I1817 PolarHBondContact O-N 2.79Å; G1814-I1817 PolarHBondContact O-N 2.9Å; F1815-I1817 VanDerWaalsContact C-N 3.31Å; F1815-I1817 PolarHBondContact O-N 3.24Å; I1817-K1819 VanDerWaalsContact C-N 3.31Å; I1817-K1819 PolarHBondContact O-N 3.4Å; I1817-E1820 PolarHBondContact O-N 3.36Å; I1817-S1821 WeakPolarHBondContact O-CB 3.45Å; I1817-S1821 PolarHBondContact O-N 3.27Å; I1817-S1821 PolarHBondContact O-OG 3.27Å; I1817-S1821 VanDerWaalsContact O-OG 3.14Å |
| 1818 | V | 83.5 | Confident | 78.5 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 109.6 | V1781 L1805 I1808 T1809 G1814 F1815 S1821 L1822 L1867 | V1781-V1818 HydrophobicContact CG1-CG2 4.18Å; V1781-V1818 HydrophobicContact CG2-CG2 4.26Å; L1805-V1818 HydrophobicContact CD2-CG2 4.38Å; I1808-V1818 HydrophobicContact CB-CG2 4.13Å; I1808-V1818 HydrophobicContact CG2-CG2 3.6Å; T1809-V1818 HydrophobicContact CG2-CB 3.84Å; T1809-V1818 HydrophobicContact CG2-CG1 3.75Å; T1809-V1818 HydrophobicContact CG2-CG2 3.93Å; G1814-V1818 WeakPolarHBondContact O-CG2 3.47Å; G1814-V1818 PolarHBondContact O-N 2.85Å; F1815-V1818 PolarHBondContact O-N 3.03Å; V1818-S1821 WeakPolarHBondContact CA-OG 3.4Å; V1818-S1821 PolarHBondContact O-N 2.68Å; V1818-S1821 PolarHBondContact O-OG 3.02Å; V1818-L1822 HydrophobicContact CG1-CD1 3.82Å; V1818-L1822 HydrophobicContact CG1-CG 4.24Å; V1818-L1822 WeakPolarHBondContact O-CB 3.32Å; V1818-L1822 VanDerWaalsContact O-CG 3.25Å; V1818-L1822 WeakPolarHBondContact O-CG 3.34Å; V1818-L1822 PolarHBondContact O-N 3.28Å; V1818-L1867 HydrophobicContact CG1-CD2 4.5Å |
| 1819 | K | 82 | Confident | 78.2 | Confident | 53 Ų | 53 | 39.1 Ų | 39.1 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -52.9 | 173.3 | -174.1 | -173.8 | 179.7 | -177.6 | 0 | 112.1 | F1815 I1817 S1821 L1822 D1823 E1978 | F1815-K1819 HydrophobicContact CE1-CD 4.14Å; F1815-K1819 HydrophobicContact CZ-CD 4.4Å; F1815-K1819 VanDerWaalsContact O-CB 3.25Å; F1815-K1819 WeakPolarHBondContact O-CB 3.3Å; F1815-K1819 PolarHBondContact O-N 3.12Å; I1817-K1819 VanDerWaalsContact C-N 3.31Å; I1817-K1819 PolarHBondContact O-N 3.4Å; K1819-S1821 PolarHBondContact O-N 3.32Å; K1819-L1822 PolarHBondContact O-N 3.15Å; K1819-L1822 VanDerWaalsContact O-N 3.16Å; K1819-D1823 VanDerWaalsContact O-CG 3.31Å; K1819-D1823 PolarHBondContact O-N 2.8Å; K1819-E1978 IonicContact NZ-OE1 3.22Å; K1819-E1978 PolarHBondContact NZ-OE1 3.16Å |
| 1820 | E | 80.8 | Confident | 77.7 | Confident | 106 Ų | 106 | 46.5 Ų | 46.5 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.4 | -37.6 | 179 | -173.1 | -175.7 | -177.3 | 0 | 0 | 111.8 | K1778 V1816 I1817 S1824 | K1778-E1820 IonicContact NZ-OE1 3.54Å; K1778-E1820 IonicContact NZ-OE2 2.67Å; K1778-E1820 PolarHBondContact NZ-OE2 2.8Å; V1816-E1820 WeakPolarHBondContact O-CB 3.47Å; V1816-E1820 PolarHBondContact O-N 3.09Å; I1817-E1820 PolarHBondContact O-N 3.36Å; E1820-S1824 PolarHBondContact O-N 2.68Å |
| 1821 | S | 81.5 | Confident | 77.2 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.6 | -32.7 | 178.7 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | V1781 I1785 I1817 V1818 K1819 D1823 S1824 | V1781-S1821 WeakPolarHBondContact CG1-OG 3.42Å; I1785-S1821 WeakPolarHBondContact CD1-OG 3.37Å; I1817-S1821 WeakPolarHBondContact O-CB 3.45Å; I1817-S1821 PolarHBondContact O-N 3.27Å; I1817-S1821 PolarHBondContact O-OG 3.27Å; I1817-S1821 VanDerWaalsContact O-OG 3.14Å; V1818-S1821 WeakPolarHBondContact CA-OG 3.4Å; V1818-S1821 PolarHBondContact O-N 2.68Å; V1818-S1821 PolarHBondContact O-OG 3.02Å; K1819-S1821 PolarHBondContact O-N 3.32Å; S1821-D1823 VanDerWaalsContact C-N 3.32Å; S1821-S1824 VanDerWaalsContact O-CB 3.25Å; S1821-S1824 WeakPolarHBondContact O-CB 3.24Å; S1821-S1824 PolarHBondContact O-N 2.88Å; S1821-S1824 PolarHBondContact O-OG 3.12Å |
| 1822 | L | 80.1 | Confident | 77.3 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.6 | -30.7 | 171.6 | -71.6 | 171.8 | 0 | 0 | 0 | 111.6 | I1785 V1818 K1819 S1824 A1827 H1833 L1834 F1835 L1867 | I1785-L1822 HydrophobicContact CD1-CD2 4.13Å; I1785-L1822 HydrophobicContact CD1-CG 4.38Å; V1818-L1822 HydrophobicContact CG1-CD1 3.82Å; V1818-L1822 HydrophobicContact CG1-CG 4.24Å; V1818-L1822 WeakPolarHBondContact O-CB 3.32Å; V1818-L1822 VanDerWaalsContact O-CG 3.25Å; V1818-L1822 WeakPolarHBondContact O-CG 3.34Å; V1818-L1822 PolarHBondContact O-N 3.28Å; K1819-L1822 PolarHBondContact O-N 3.15Å; K1819-L1822 VanDerWaalsContact O-N 3.16Å; L1822-S1824 PolarHBondContact O-N 2.86Å; L1822-A1827 VanDerWaalsContact O-CB 3.3Å; L1822-A1827 WeakPolarHBondContact O-CB 3.22Å; L1822-H1833 PolarHBondContact O-NE2 3.03Å; L1822-L1834 HydrophobicContact CD2-CD2 4.37Å; L1822-F1835 HydrophobicContact CD1-CE2 4.27Å; L1822-F1835 HydrophobicContact CD2-CE2 4.48Å; L1822-L1867 HydrophobicContact CD1-CD1 3.91Å |
| 1823 | D | 77.6 | Confident | 77.7 | Confident | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -76.1 | -13.4 | 172.6 | -66.5 | -23.8 | 0 | 0 | 0 | 112.5 | K1819 S1821 R1922 | K1819-D1823 VanDerWaalsContact O-CG 3.31Å; K1819-D1823 PolarHBondContact O-N 2.8Å; S1821-D1823 VanDerWaalsContact C-N 3.32Å; D1823-R1922 IonicContact OD1-CZ 3.67Å; D1823-R1922 IonicContact OD1-NE 3.32Å; D1823-R1922 IonicContact OD1-NH2 3.89Å; D1823-R1922 PolarHBondContact OD1-NH2 3.24Å |
| 1824 | S | 80.8 | Confident | 78.3 | Confident | 33 Ų | 33 | 47 Ų | 47 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -71.9 | 155.5 | 178.9 | 85.4 | 0 | 0 | 0 | 0 | 112.4 | E1820 S1821 L1822 T1826 A1827 | E1820-S1824 PolarHBondContact O-N 2.68Å; S1821-S1824 VanDerWaalsContact O-CB 3.25Å; S1821-S1824 WeakPolarHBondContact O-CB 3.24Å; S1821-S1824 PolarHBondContact O-N 2.88Å; S1821-S1824 PolarHBondContact O-OG 3.12Å; L1822-S1824 PolarHBondContact O-N 2.86Å; S1824-T1826 PolarHBondContact O-N 3.38Å; S1824-T1826 PolarHBondContact OG-N 3.4Å; S1824-T1826 PolarHBondContact OG-OG1 2.87Å; S1824-A1827 PolarHBondContact O-N 3.08Å |
| 1825 | S | 75.2 | Confident | 78.8 | Confident | 107 Ų | 107 | 47.1 Ų | 47.1 | 75% | 0.748 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -61.5 | -13 | 177.7 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1826 | T | 73.8 | Confident | 78.8 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 32% | 0.319 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -76.3 | -22.6 | 179.4 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | L1782 N1789 S1824 F1828 | L1782-T1826 HydrophobicContact CD1-CG2 3.75Å; L1782-T1826 VanDerWaalsContact CD1-OG1 3.28Å; L1782-T1826 WeakPolarHBondContact CD1-OG1 3.44Å; N1789-T1826 PolarHBondContact ND2-O 2.87Å; S1824-T1826 PolarHBondContact O-N 3.38Å; S1824-T1826 PolarHBondContact OG-N 3.4Å; S1824-T1826 PolarHBondContact OG-OG1 2.87Å; T1826-F1828 VanDerWaalsContact C-N 3.28Å |
| 1827 | A | 77.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -79.2 | -11.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1785 N1789 L1822 S1824 L1834 | I1785-A1827 HydrophobicContact CG2-CB 4.13Å; N1789-A1827 VanDerWaalsContact ND2-C 3.25Å; N1789-A1827 PolarHBondContact ND2-O 3.49Å; L1822-A1827 VanDerWaalsContact O-CB 3.3Å; L1822-A1827 WeakPolarHBondContact O-CB 3.22Å; S1824-A1827 PolarHBondContact O-N 3.08Å; A1827-L1834 HydrophobicContact CB-CB 4.37Å; A1827-L1834 WeakPolarHBondContact O-CB 3.38Å; A1827-L1834 PolarHBondContact O-N 3.11Å |
| 1828 | F | 76.7 | Confident | 79.2 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.9 | 178 | -68.8 | -89.3 | 0 | 0 | 0 | 110.8 | T1826 Q1832 H1833 | T1826-F1828 VanDerWaalsContact C-N 3.28Å; F1828-Q1832 WeakPolarHBondContact CA-O 3.45Å; F1828-H1833 HydrophobicContact CD1-CB 4.19Å; F1828-H1833 HydrophobicContact CE1-CB 3.85Å; F1828-H1833 AromaticContact CE1-CD2 3.94Å; F1828-H1833 HydrophobicContact CZ-CB 4.46Å; F1828-H1833 AromaticContact CZ-CD2 3.71Å |
| 1829 | N | 74.3 | Confident | 79.3 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130.8 | 172.2 | -171.4 | 5.5 | 0 | 0 | 0 | 109 | N1789 G1831 Q1832 | N1789-N1829 PolarHBondContact O-ND2 3.15Å; N1789-N1829 VanDerWaalsContact O-ND2 3.15Å; N1789-N1829 WeakPolarHBondContact OD1-CB 3.4Å; N1829-G1831 PolarHBondContact O-N 3.49Å; N1829-G1831 VanDerWaalsContact O-N 3.1Å; N1829-Q1832 PolarHBondContact N-O 3.33Å; N1829-Q1832 PolarHBondContact O-N 3.44Å; N1829-Q1832 VanDerWaalsContact O-O 3.09Å |
| 1830 | N | 67.9 | Low | 79.4 | Confident | 155 Ų | 155 | 45.8 Ų | 45.8 | 83% | 0.829 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 31.5 | -174.3 | -66.6 | -20.7 | 0 | 0 | 0 | 115.3 | Q1832 | N1830-Q1832 PolarHBondContact O-N 2.69Š|
| 1831 | G | 69 | Low | 79.6 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 75% | 0.753 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -2.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1829 | N1829-G1831 PolarHBondContact O-N 3.49Å; N1829-G1831 VanDerWaalsContact O-N 3.1Å |
| 1832 | Q | 76.2 | Confident | 79.7 | Confident | 93 Ų | 93 | 42.1 Ų | 42.1 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 145.2 | 172.1 | -69.9 | -176 | -1.4 | 0 | 0 | 110.4 | F1828 N1829 N1830 A1836 N1837 | F1828-Q1832 WeakPolarHBondContact CA-O 3.45Å; N1829-Q1832 PolarHBondContact N-O 3.33Å; N1829-Q1832 PolarHBondContact O-N 3.44Å; N1829-Q1832 VanDerWaalsContact O-O 3.09Å; N1830-Q1832 PolarHBondContact O-N 2.69Å; Q1832-A1836 HydrophobicContact CB-CB 4.48Å; Q1832-N1837 WeakPolarHBondContact CB-OD1 3.34Å; Q1832-N1837 PolarHBondContact O-ND2 2.81Å; Q1832-N1837 PolarHBondContact OE1-OD1 3.24Å; Q1832-N1837 VanDerWaalsContact OE1-OD1 3.13Å |
| 1833 | H | 83.8 | Confident | 80 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 155.4 | 178.1 | -177.3 | -94.2 | 0 | 0 | 0 | 111.3 | L1822 F1828 F1835 A1836 N1837 L1926 | L1822-H1833 PolarHBondContact O-NE2 3.03Å; F1828-H1833 HydrophobicContact CD1-CB 4.19Å; F1828-H1833 HydrophobicContact CE1-CB 3.85Å; F1828-H1833 AromaticContact CE1-CD2 3.94Å; F1828-H1833 HydrophobicContact CZ-CB 4.46Å; F1828-H1833 AromaticContact CZ-CD2 3.71Å; H1833-F1835 VanDerWaalsContact C-N 3.31Å; H1833-F1835 AromaticContact CE1-CD2 3.45Å; H1833-F1835 VanDerWaalsContact CE1-CD2 3.45Å; H1833-F1835 WeakPolarHBondContact CE1-CD2 3.38Å; H1833-F1835 AromaticContact ND1-CD2 3.7Å; H1833-F1835 PolarHBondContact ND1-N 3.48Å; H1833-F1835 PolarHBondContact O-N 3.33Å; H1833-A1836 WeakPolarHBondContact O-CB 3.01Å; H1833-A1836 PolarHBondContact O-N 3.32Å; H1833-N1837 PolarHBondContact O-N 3.08Å; H1833-L1926 WeakPolarHBondContact CB-O 2.93Å; H1833-L1926 WeakPolarHBondContact CE1-CD2 3.34Å; H1833-L1926 PolarHBondContact ND1-O 3.27Å; H1833-L1926 VanDerWaalsContact NE2-CD2 3.32Å; H1833-L1926 WeakPolarHBondContact NE2-CD2 3.49Å |
| 1834 | L | 84.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -47.9 | -45.6 | -177.8 | 173.8 | 138.3 | 0 | 0 | 0 | 113.8 | I1785 I1788 N1789 L1822 A1827 N1837 L1838 | I1785-L1834 HydrophobicContact CG2-CD1 4.02Å; I1788-L1834 HydrophobicContact CB-CD1 4.11Å; I1788-L1834 HydrophobicContact CG2-CD1 3.82Å; I1788-L1834 HydrophobicContact CG2-CG 4.26Å; N1789-L1834 HydrophobicContact CB-CD1 4.18Å; L1822-L1834 HydrophobicContact CD2-CD2 4.37Å; A1827-L1834 HydrophobicContact CB-CB 4.37Å; A1827-L1834 WeakPolarHBondContact O-CB 3.38Å; A1827-L1834 PolarHBondContact O-N 3.11Å; L1834-N1837 PolarHBondContact O-N 3.16Å; L1834-L1838 HydrophobicContact CD2-CD1 3.65Å; L1834-L1838 HydrophobicContact CG-CD1 3.97Å; L1834-L1838 WeakPolarHBondContact O-CG 3.42Å; L1834-L1838 PolarHBondContact O-N 3.08Å |
| 1835 | F | 86 | Confident | 80.3 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 178.4 | -71.1 | -67.9 | 0 | 0 | 0 | 112.5 | L1822 H1833 N1837 L1838 V1839 L1863 I1864 L1867 L1926 L1927 | L1822-F1835 HydrophobicContact CD1-CE2 4.27Å; L1822-F1835 HydrophobicContact CD2-CE2 4.48Å; H1833-F1835 VanDerWaalsContact C-N 3.31Å; H1833-F1835 AromaticContact CE1-CD2 3.45Å; H1833-F1835 VanDerWaalsContact CE1-CD2 3.45Å; H1833-F1835 WeakPolarHBondContact CE1-CD2 3.38Å; H1833-F1835 AromaticContact ND1-CD2 3.7Å; H1833-F1835 PolarHBondContact ND1-N 3.48Å; H1833-F1835 PolarHBondContact O-N 3.33Å; F1835-N1837 VanDerWaalsContact C-N 3.33Å; F1835-N1837 PolarHBondContact O-N 3.09Å; F1835-L1838 PolarHBondContact O-N 3.22Å; F1835-V1839 VanDerWaalsContact O-CG2 3.31Å; F1835-V1839 WeakPolarHBondContact O-CG2 3.4Å; F1835-V1839 PolarHBondContact O-N 3.28Å; F1835-L1863 HydrophobicContact CE1-CD2 3.99Å; F1835-L1863 HydrophobicContact CE1-CG 4.35Å; F1835-L1863 HydrophobicContact CZ-CD2 3.88Å; F1835-L1863 HydrophobicContact CZ-CG 4.13Å; F1835-I1864 HydrophobicContact CD1-CD1 3.88Å; F1835-I1864 HydrophobicContact CD1-CG1 3.86Å; F1835-I1864 HydrophobicContact CE1-CD1 4.1Å; F1835-I1864 HydrophobicContact CE1-CG1 3.56Å; F1835-I1864 HydrophobicContact CG-CD1 4.44Å; F1835-I1864 HydrophobicContact CG-CG1 4.49Å; F1835-I1864 HydrophobicContact CZ-CG1 3.96Å; F1835-L1867 HydrophobicContact CE2-CD1 4.24Å; F1835-L1867 HydrophobicContact CZ-CD1 4.03Å; F1835-L1926 HydrophobicContact CD2-CB 4.02Å; F1835-L1926 HydrophobicContact CD2-CD1 4.44Å; F1835-L1926 HydrophobicContact CE2-CD1 4.32Å; F1835-L1927 HydrophobicContact CB-CD2 3.84Å; F1835-L1927 HydrophobicContact CB-CG 4.41Å |
| 1836 | A | 82.2 | Confident | 80.6 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1832 H1833 V1839 Q1840 | Q1832-A1836 HydrophobicContact CB-CB 4.48Å; H1833-A1836 WeakPolarHBondContact O-CB 3.01Å; H1833-A1836 PolarHBondContact O-N 3.32Å; A1836-V1839 PolarHBondContact O-N 2.97Å; A1836-Q1840 VanDerWaalsContact O-CB 3.3Å; A1836-Q1840 WeakPolarHBondContact O-CB 3.5Å; A1836-Q1840 PolarHBondContact O-N 3.49Å |
| 1837 | N | 84.2 | Confident | 80.7 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.2 | -71 | -26.5 | 0 | 0 | 0 | 112 | N1789 Q1832 H1833 L1834 F1835 Q1840 R1841 | N1789-N1837 PolarHBondContact OD1-ND2 3Å; N1789-N1837 VanDerWaalsContact OD1-ND2 3.16Å; Q1832-N1837 WeakPolarHBondContact CB-OD1 3.34Å; Q1832-N1837 PolarHBondContact O-ND2 2.81Å; Q1832-N1837 PolarHBondContact OE1-OD1 3.24Å; Q1832-N1837 VanDerWaalsContact OE1-OD1 3.13Å; H1833-N1837 PolarHBondContact O-N 3.08Å; L1834-N1837 PolarHBondContact O-N 3.16Å; F1835-N1837 VanDerWaalsContact C-N 3.33Å; F1835-N1837 PolarHBondContact O-N 3.09Å; N1837-Q1840 PolarHBondContact O-N 3.42Å; N1837-R1841 WeakPolarHBondContact O-CB 3.48Å; N1837-R1841 PolarHBondContact O-N 2.82Å |
| 1838 | L | 85.4 | Confident | 80.5 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 179 | -75.7 | 165.6 | 0 | 0 | 0 | 112.2 | I1788 L1798 L1834 F1835 R1841 V1842 T1856 | I1788-L1838 HydrophobicContact CG2-CD1 3.63Å; I1788-L1838 HydrophobicContact CG2-CD2 3.81Å; I1788-L1838 HydrophobicContact CG2-CG 4.11Å; L1798-L1838 HydrophobicContact CD1-CD2 4Å; L1834-L1838 HydrophobicContact CD2-CD1 3.65Å; L1834-L1838 HydrophobicContact CG-CD1 3.97Å; L1834-L1838 WeakPolarHBondContact O-CG 3.42Å; L1834-L1838 PolarHBondContact O-N 3.08Å; F1835-L1838 PolarHBondContact O-N 3.22Å; L1838-R1841 PolarHBondContact O-N 3.32Å; L1838-V1842 WeakPolarHBondContact O-CG2 3.37Å; L1838-V1842 PolarHBondContact O-N 3.02Å; L1838-T1856 HydrophobicContact CD2-CG2 4.4Å |
| 1839 | V | 85.4 | Confident | 80.4 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 178.2 | 178 | 0 | 0 | 0 | 0 | 110.7 | F1835 A1836 R1841 V1842 N1843 L1927 P1938 V1939 L1942 | F1835-V1839 VanDerWaalsContact O-CG2 3.31Å; F1835-V1839 WeakPolarHBondContact O-CG2 3.4Å; F1835-V1839 PolarHBondContact O-N 3.28Å; A1836-V1839 PolarHBondContact O-N 2.97Å; V1839-R1841 VanDerWaalsContact C-N 3.28Å; V1839-R1841 PolarHBondContact O-N 3.08Å; V1839-V1842 PolarHBondContact O-N 3.48Å; V1839-N1843 VanDerWaalsContact O-CB 3.32Å; V1839-N1843 WeakPolarHBondContact O-CB 3.48Å; V1839-N1843 PolarHBondContact O-N 3.43Å; V1839-L1927 HydrophobicContact CG2-CD2 4.05Å; V1839-P1938 HydrophobicContact CG1-CB 4.07Å; V1839-V1939 HydrophobicContact CG1-CG2 4.03Å; V1839-L1942 HydrophobicContact CG1-CD2 3.92Å |
| 1840 | Q | 83.9 | Confident | 80.6 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 175 | -178.6 | 65.5 | 45.9 | 0 | 0 | 111.1 | A1836 N1837 N1843 D1844 P1938 | A1836-Q1840 VanDerWaalsContact O-CB 3.3Å; A1836-Q1840 WeakPolarHBondContact O-CB 3.5Å; A1836-Q1840 PolarHBondContact O-N 3.49Å; N1837-Q1840 PolarHBondContact O-N 3.42Å; Q1840-N1843 VanDerWaalsContact O-CB 3.31Å; Q1840-N1843 WeakPolarHBondContact O-CB 3.31Å; Q1840-N1843 PolarHBondContact O-N 3Å; Q1840-D1844 PolarHBondContact NE2-OD1 3.39Å; Q1840-D1844 PolarHBondContact NE2-OD2 3.5Å; Q1840-D1844 PolarHBondContact O-N 2.89Å; Q1840-P1938 HydrophobicContact CB-CB 4.29Å |
| 1841 | R | 85.1 | Confident | 81.2 | Confident | 40 Ų | 40 | 42.7 Ų | 42.7 | 15% | 0.151 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | -178.6 | -160.9 | -169.1 | -146.6 | 156.4 | -1.1 | 112.9 | H1790 P1791 R1793 M1795 N1837 L1838 V1839 N1843 D1844 S1845 | H1790-R1841 PolarHBondContact O-NH1 3.18Å; H1790-R1841 PolarHBondContact O-NH2 3.2Å; P1791-R1841 PolarHBondContact O-NH2 3.38Å; R1793-R1841 PolarHBondContact O-NH2 3.41Å; R1793-R1841 VanDerWaalsContact O-NH2 3.09Å; M1795-R1841 VanDerWaalsContact CE-C 3.45Å; M1795-R1841 HydrophobicContact CE-CB 3.71Å; M1795-R1841 VanDerWaalsContact CE-CD 3.46Å; M1795-R1841 HydrophobicContact CE-CG 3.39Å; M1795-R1841 WeakPolarHBondContact CE-O 3.5Å; M1795-R1841 HydrophobicContact SD-CG 4.27Å; N1837-R1841 WeakPolarHBondContact O-CB 3.48Å; N1837-R1841 PolarHBondContact O-N 2.82Å; L1838-R1841 PolarHBondContact O-N 3.32Å; V1839-R1841 VanDerWaalsContact C-N 3.28Å; V1839-R1841 PolarHBondContact O-N 3.08Å; R1841-N1843 VanDerWaalsContact C-N 3.32Å; R1841-D1844 PolarHBondContact O-N 2.98Å; R1841-S1845 WeakPolarHBondContact O-CB 3.49Å; R1841-S1845 PolarHBondContact O-N 2.99Å; R1841-S1845 VanDerWaalsContact O-N 3.12Å; R1841-S1845 PolarHBondContact O-OG 3.2Å |
| 1842 | V | 85.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 171.1 | 170.5 | 0 | 0 | 0 | 0 | 109.3 | M1795 L1838 V1839 D1844 S1845 F1846 T1856 L1857 L1942 | M1795-V1842 HydrophobicContact CE-CG2 3.9Å; L1838-V1842 WeakPolarHBondContact O-CG2 3.37Å; L1838-V1842 PolarHBondContact O-N 3.02Å; V1839-V1842 PolarHBondContact O-N 3.48Å; V1842-D1844 VanDerWaalsContact C-N 3.33Å; V1842-D1844 PolarHBondContact O-N 3.32Å; V1842-S1845 CarbonylContact O-C 3.47Å; V1842-S1845 PolarHBondContact O-N 3.34Å; V1842-F1846 HydrophobicContact CG1-CD2 3.91Å; V1842-F1846 WeakPolarHBondContact O-CA 3.43Å; V1842-F1846 VanDerWaalsContact O-CB 3.23Å; V1842-F1846 WeakPolarHBondContact O-CB 3.41Å; V1842-F1846 PolarHBondContact O-N 3.39Å; V1842-T1856 HydrophobicContact CG2-CG2 4.26Å; V1842-L1857 HydrophobicContact CG1-CB 4.19Å; V1842-L1857 HydrophobicContact CG1-CD2 4.23Å; V1842-L1857 HydrophobicContact CG2-CB 4.49Å; V1842-L1942 HydrophobicContact CG1-CD1 4.12Å; V1842-L1942 HydrophobicContact CG1-CD2 4.08Å |
| 1843 | N | 85.5 | Confident | 82.3 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -42.3 | 177.4 | -165.4 | 42.9 | 0 | 0 | 0 | 112.5 | V1839 Q1840 R1841 S1845 L1942 L1945 | V1839-N1843 VanDerWaalsContact O-CB 3.32Å; V1839-N1843 WeakPolarHBondContact O-CB 3.48Å; V1839-N1843 PolarHBondContact O-N 3.43Å; Q1840-N1843 VanDerWaalsContact O-CB 3.31Å; Q1840-N1843 WeakPolarHBondContact O-CB 3.31Å; Q1840-N1843 PolarHBondContact O-N 3Å; R1841-N1843 VanDerWaalsContact C-N 3.32Å; N1843-S1845 VanDerWaalsContact C-N 3.32Å; N1843-S1845 PolarHBondContact O-N 3.48Å; N1843-L1942 HydrophobicContact CB-CD1 4.46Å; N1843-L1942 PolarHBondContact OD1-N 3.5Å; N1843-L1945 WeakPolarHBondContact OD1-CD1 3.45Å |
| 1844 | D | 84.2 | Confident | 82.3 | Confident | 117 Ų | 117 | 38.1 Ų | 38.1 | 63% | 0.626 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -72.1 | -24.5 | 179.9 | -63.5 | -21.7 | 0 | 0 | 0 | 113.1 | Q1840 R1841 V1842 | Q1840-D1844 PolarHBondContact NE2-OD1 3.39Å; Q1840-D1844 PolarHBondContact NE2-OD2 3.5Å; Q1840-D1844 PolarHBondContact O-N 2.89Å; R1841-D1844 PolarHBondContact O-N 2.98Å; V1842-D1844 VanDerWaalsContact C-N 3.33Å; V1842-D1844 PolarHBondContact O-N 3.32Å |
| 1845 | S | 79.9 | Confident | 82.3 | Confident | 45 Ų | 45 | 39.9 Ų | 39.9 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -116.2 | 9.2 | -175.7 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | M1795 R1841 V1842 N1843 S1847 C1853 | M1795-S1845 WeakPolarHBondContact CE-OG 3.47Å; R1841-S1845 WeakPolarHBondContact O-CB 3.49Å; R1841-S1845 PolarHBondContact O-N 2.99Å; R1841-S1845 VanDerWaalsContact O-N 3.12Å; R1841-S1845 PolarHBondContact O-OG 3.2Å; V1842-S1845 CarbonylContact O-C 3.47Å; V1842-S1845 PolarHBondContact O-N 3.34Å; N1843-S1845 VanDerWaalsContact C-N 3.32Å; N1843-S1845 PolarHBondContact O-N 3.48Å; S1845-S1847 PolarHBondContact O-N 3.39Å; S1845-C1853 PolarHBondContact O-SG 3.38Å; S1845-C1853 PolarHBondContact OG-SG 3.06Å; S1845-C1853 VanDerWaalsContact OG-SG 3.42Å |
| 1846 | F | 82.5 | Confident | 82.4 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 13% | 0.132 | 23% | 0.229 | C | C | . | . | trans | -68.7 | 122.9 | -174.9 | -162.8 | -97 | 0 | 0 | 0 | 110.4 | V1842 C1853 L1942 L1946 L1949 L1956 L1959 | V1842-F1846 HydrophobicContact CG1-CD2 3.91Å; V1842-F1846 WeakPolarHBondContact O-CA 3.43Å; V1842-F1846 VanDerWaalsContact O-CB 3.23Å; V1842-F1846 WeakPolarHBondContact O-CB 3.41Å; V1842-F1846 PolarHBondContact O-N 3.39Å; F1846-C1853 HydrophobicContact CD2-CB 4.43Å; F1846-L1942 HydrophobicContact CB-CD1 4.47Å; F1846-L1942 HydrophobicContact CD2-CD1 4.07Å; F1846-L1942 HydrophobicContact CG-CD1 4.26Å; F1846-L1946 HydrophobicContact CE1-CD2 3.88Å; F1846-L1946 HydrophobicContact CE2-CD2 3.99Å; F1846-L1946 HydrophobicContact CZ-CD2 3.33Å; F1846-L1946 HydrophobicContact CZ-CG 4.36Å; F1846-L1949 HydrophobicContact CD1-CD1 3.68Å; F1846-L1949 HydrophobicContact CE1-CD1 3.52Å; F1846-L1956 HydrophobicContact CE1-CD1 4.21Å; F1846-L1956 HydrophobicContact CZ-CD1 4.17Å; F1846-L1956 HydrophobicContact CZ-CD2 4.12Å; F1846-L1959 HydrophobicContact CE2-CD2 4.2Å; F1846-L1959 HydrophobicContact CZ-CD2 4.48Å | ||
| 1847 | S | 76.6 | Confident | 82.7 | Confident | 48 Ų | 48 | 39.5 Ų | 39.5 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | trans | -138.5 | 141.3 | 169.1 | 175.9 | 0 | 0 | 0 | 0 | 107.7 | S1845 D1849 N1850 | S1845-S1847 PolarHBondContact O-N 3.39Å; S1847-D1849 PolarHBondContact O-N 3.08Å; S1847-D1849 PolarHBondContact OG-N 3.1Å; S1847-N1850 PolarHBondContact O-N 3.45Å; S1847-N1850 VanDerWaalsContact O-N 3.09Å | ||
| 1848 | A | 71.8 | Confident | 82.7 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 28% | 0.281 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N1850 Q1854 E1953 L1956 | A1848-N1850 VanDerWaalsContact C-N 3.35Å; A1848-N1850 PolarHBondContact O-N 2.67Å; A1848-Q1854 PolarHBondContact O-NE2 3.48Å; A1848-E1953 HydrophobicContact CB-CG 4.46Å; A1848-L1956 HydrophobicContact CB-CD1 4.49Å |
| 1849 | D | 75.4 | Confident | 82.7 | Confident | 149 Ų | 149 | 40.1 Ų | 40.1 | 80% | 0.797 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.2 | -179.7 | -60 | -37.1 | 0 | 0 | 0 | 114.3 | S1847 P1851 | S1847-D1849 PolarHBondContact O-N 3.08Å; S1847-D1849 PolarHBondContact OG-N 3.1Å; D1849-P1851 WeakPolarHBondContact O-CD 3.41Å |
| 1850 | N | 78.9 | Confident | 82.7 | Confident | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | trans | -100 | 98.9 | -176.8 | -171.2 | -11.7 | 0 | 0 | 0 | 111.5 | S1847 A1848 D1852 C1853 | S1847-N1850 PolarHBondContact O-N 3.45Å; S1847-N1850 VanDerWaalsContact O-N 3.09Å; A1848-N1850 VanDerWaalsContact C-N 3.35Å; A1848-N1850 PolarHBondContact O-N 2.67Å; N1850-D1852 PolarHBondContact O-N 3.17Å; N1850-D1852 WeakPolarHBondContact OD1-CB 3.39Å; N1850-D1852 PolarHBondContact OD1-N 2.99Å; N1850-D1852 VanDerWaalsContact OD1-N 3.08Å; N1850-C1853 HydrophobicContact CB-CB 4.49Å; N1850-C1853 PolarHBondContact ND2-SG 2.86Å; N1850-C1853 PolarHBondContact O-N 3.47Å | ||
| 1851 | P | 80.9 | Confident | 82.8 | Confident | 82 Ų | 82 | 37.5 Ų | 37.5 | 53% | 0.532 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.2 | -25 | -178.9 | 29.2 | -36.1 | 0 | 0 | 0 | 112.8 | D1849 C1853 Q1854 A1855 | D1849-P1851 WeakPolarHBondContact O-CD 3.41Å; P1851-C1853 PolarHBondContact O-N 2.92Å; P1851-Q1854 PolarHBondContact O-N 2.88Å; P1851-A1855 WeakPolarHBondContact O-CB 3.21Å; P1851-A1855 PolarHBondContact O-N 3.32Å |
| 1852 | D | 83.1 | Confident | 82.8 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69 | -36.9 | -177.6 | -59.1 | -47.2 | 0 | 0 | 0 | 111.3 | M1795 T1796 N1850 T1856 | M1795-D1852 HydrophobicContact CB-CB 4.07Å; T1796-D1852 VanDerWaalsContact CG2-OD2 3.31Å; T1796-D1852 WeakPolarHBondContact CG2-OD2 3.11Å; N1850-D1852 PolarHBondContact O-N 3.17Å; N1850-D1852 WeakPolarHBondContact OD1-CB 3.39Å; N1850-D1852 PolarHBondContact OD1-N 2.99Å; N1850-D1852 VanDerWaalsContact OD1-N 3.08Å; D1852-T1856 VanDerWaalsContact O-CB 3.24Å; D1852-T1856 WeakPolarHBondContact O-CB 3.44Å; D1852-T1856 PolarHBondContact O-N 3.16Å; D1852-T1856 PolarHBondContact O-OG1 2.74Å |
| 1853 | C | 83.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 173.5 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | S1845 F1846 N1850 P1851 L1857 | S1845-C1853 PolarHBondContact O-SG 3.38Å; S1845-C1853 PolarHBondContact OG-SG 3.06Å; S1845-C1853 VanDerWaalsContact OG-SG 3.42Å; F1846-C1853 HydrophobicContact CD2-CB 4.43Å; N1850-C1853 HydrophobicContact CB-CB 4.49Å; N1850-C1853 PolarHBondContact ND2-SG 2.86Å; N1850-C1853 PolarHBondContact O-N 3.47Å; P1851-C1853 PolarHBondContact O-N 2.92Å; C1853-L1857 WeakPolarHBondContact O-CB 3.05Å; C1853-L1857 PolarHBondContact O-N 2.66Å |
| 1854 | Q | 85.2 | Confident | 82.7 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -46.2 | 177.7 | -59 | 179.6 | 20.4 | 0 | 0 | 111.5 | A1848 P1851 L1857 T1858 L1956 L1959 | A1848-Q1854 PolarHBondContact O-NE2 3.48Å; P1851-Q1854 PolarHBondContact O-N 2.88Å; Q1854-L1857 PolarHBondContact O-N 3.17Å; Q1854-T1858 WeakPolarHBondContact O-CB 3.5Å; Q1854-T1858 PolarHBondContact O-N 2.94Å; Q1854-T1858 PolarHBondContact O-OG1 2.87Å; Q1854-L1956 HydrophobicContact CG-CD2 4.03Å; Q1854-L1959 HydrophobicContact CB-CD2 4.46Å |
| 1855 | A | 84.4 | Confident | 82.6 | Confident | 40 Ų | 40 | 35.9 Ų | 35.9 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1799 P1851 T1858 G1859 | P1799-A1855 HydrophobicContact CB-CB 3.91Å; P1799-A1855 HydrophobicContact CG-CB 3.7Å; P1851-A1855 WeakPolarHBondContact O-CB 3.21Å; P1851-A1855 PolarHBondContact O-N 3.32Å; A1855-T1858 PolarHBondContact O-N 3.34Å; A1855-G1859 PolarHBondContact O-N 3.43Å |
| 1856 | T | 86.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | L1798 P1799 L1802 L1838 V1842 D1852 T1858 G1859 C1860 | L1798-T1856 HydrophobicContact CB-CG2 3.99Å; L1798-T1856 HydrophobicContact CD1-CG2 4.15Å; P1799-T1856 WeakPolarHBondContact CD-OG1 3.48Å; P1799-T1856 WeakPolarHBondContact CG-OG1 3.41Å; L1802-T1856 HydrophobicContact CD1-CG2 4.41Å; L1838-T1856 HydrophobicContact CD2-CG2 4.4Å; V1842-T1856 HydrophobicContact CG2-CG2 4.26Å; D1852-T1856 VanDerWaalsContact O-CB 3.24Å; D1852-T1856 WeakPolarHBondContact O-CB 3.44Å; D1852-T1856 PolarHBondContact O-N 3.16Å; D1852-T1856 PolarHBondContact O-OG1 2.74Å; T1856-T1858 VanDerWaalsContact C-N 3.33Å; T1856-T1858 PolarHBondContact O-N 2.92Å; T1856-G1859 PolarHBondContact O-N 3.33Å; T1856-C1860 WeakPolarHBondContact O-CB 3.39Å; T1856-C1860 PolarHBondContact O-N 3.23Å; T1856-C1860 PolarHBondContact O-SG 3.46Å |
| 1857 | L | 88.5 | Confident | 82.3 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.5 | -173 | 56.5 | 0 | 0 | 0 | 111.4 | V1842 C1853 Q1854 C1860 L1861 L1942 L1946 L1959 M1963 | V1842-L1857 HydrophobicContact CG1-CB 4.19Å; V1842-L1857 HydrophobicContact CG1-CD2 4.23Å; V1842-L1857 HydrophobicContact CG2-CB 4.49Å; C1853-L1857 WeakPolarHBondContact O-CB 3.05Å; C1853-L1857 PolarHBondContact O-N 2.66Å; Q1854-L1857 PolarHBondContact O-N 3.17Å; L1857-C1860 WeakPolarHBondContact O-CB 3.32Å; L1857-C1860 PolarHBondContact O-N 3.09Å; L1857-L1861 HydrophobicContact CD1-CD1 4.34Å; L1857-L1861 HydrophobicContact CD1-CG 4.43Å; L1857-L1861 HydrophobicContact CG-CD1 4Å; L1857-L1861 WeakPolarHBondContact O-CB 3.29Å; L1857-L1861 WeakPolarHBondContact O-CD1 3.05Å; L1857-L1861 VanDerWaalsContact O-CG 3.26Å; L1857-L1861 WeakPolarHBondContact O-CG 3.28Å; L1857-L1861 PolarHBondContact O-N 3.36Å; L1857-L1942 HydrophobicContact CD1-CD2 3.86Å; L1857-L1942 HydrophobicContact CD2-CD2 3.63Å; L1857-L1942 HydrophobicContact CD2-CG 4.28Å; L1857-L1942 HydrophobicContact CG-CD2 4.44Å; L1857-L1946 HydrophobicContact CD2-CD1 4.27Å; L1857-L1959 HydrophobicContact CB-CD1 4.15Å; L1857-L1959 HydrophobicContact CB-CD2 4.48Å; L1857-L1959 HydrophobicContact CD2-CD1 3.74Å; L1857-L1959 HydrophobicContact CD2-CD2 3.72Å; L1857-L1959 HydrophobicContact CD2-CG 3.66Å; L1857-L1959 HydrophobicContact CG-CD1 3.79Å; L1857-L1959 HydrophobicContact CG-CD2 4.46Å; L1857-L1959 HydrophobicContact CG-CG 4.3Å; L1857-M1963 HydrophobicContact CD1-SD 4.26Å; L1857-M1963 HydrophobicContact CD2-CG 4.43Å; L1857-M1963 HydrophobicContact CD2-SD 4.45Å |
| 1858 | T | 84.9 | Confident | 82.1 | Confident | 40 Ų | 40 | 31 Ų | 31 | 25% | 0.245 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 176.3 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | Q1854 A1855 T1856 L1861 R1862 | Q1854-T1858 WeakPolarHBondContact O-CB 3.5Å; Q1854-T1858 PolarHBondContact O-N 2.94Å; Q1854-T1858 PolarHBondContact O-OG1 2.87Å; A1855-T1858 PolarHBondContact O-N 3.34Å; T1856-T1858 VanDerWaalsContact C-N 3.33Å; T1856-T1858 PolarHBondContact O-N 2.92Å; T1858-L1861 PolarHBondContact O-N 3.34Å; T1858-R1862 VanDerWaalsContact O-CB 3.32Å; T1858-R1862 WeakPolarHBondContact O-CB 3.3Å; T1858-R1862 PolarHBondContact O-N 3.01Å |
| 1859 | G | 85.4 | Confident | 81.8 | Confident | 8 Ų | 8 | 32 Ų | 32 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1855 T1856 L1861 R1862 L1863 | A1855-G1859 PolarHBondContact O-N 3.43Å; T1856-G1859 PolarHBondContact O-N 3.33Å; G1859-L1861 PolarHBondContact O-N 3.44Å; G1859-R1862 PolarHBondContact O-N 2.94Å; G1859-L1863 WeakPolarHBondContact O-CB 3.38Å; G1859-L1863 PolarHBondContact O-N 2.98Å |
| 1860 | C | 86.1 | Confident | 80.6 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 175.7 | -73 | 0 | 0 | 0 | 0 | 111.6 | T1856 L1857 R1862 L1863 I1864 | T1856-C1860 WeakPolarHBondContact O-CB 3.39Å; T1856-C1860 PolarHBondContact O-N 3.23Å; T1856-C1860 PolarHBondContact O-SG 3.46Å; L1857-C1860 WeakPolarHBondContact O-CB 3.32Å; L1857-C1860 PolarHBondContact O-N 3.09Å; C1860-R1862 VanDerWaalsContact C-N 3.35Å; C1860-L1863 PolarHBondContact O-N 2.79Å; C1860-I1864 WeakPolarHBondContact O-CG1 3.32Å; C1860-I1864 PolarHBondContact O-N 3.44Å |
| 1861 | L | 86 | Confident | 78.9 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 178.8 | -70.2 | 165.1 | 0 | 0 | 0 | 111.8 | L1857 T1858 G1859 I1864 Q1865 T1877 L1959 S1962 M1963 L1966 | L1857-L1861 HydrophobicContact CD1-CD1 4.34Å; L1857-L1861 HydrophobicContact CD1-CG 4.43Å; L1857-L1861 HydrophobicContact CG-CD1 4Å; L1857-L1861 WeakPolarHBondContact O-CB 3.29Å; L1857-L1861 WeakPolarHBondContact O-CD1 3.05Å; L1857-L1861 VanDerWaalsContact O-CG 3.26Å; L1857-L1861 WeakPolarHBondContact O-CG 3.28Å; L1857-L1861 PolarHBondContact O-N 3.36Å; T1858-L1861 PolarHBondContact O-N 3.34Å; G1859-L1861 PolarHBondContact O-N 3.44Å; L1861-I1864 PolarHBondContact O-N 3.48Å; L1861-Q1865 VanDerWaalsContact O-CB 3.29Å; L1861-Q1865 WeakPolarHBondContact O-CB 3.33Å; L1861-Q1865 PolarHBondContact O-N 2.88Å; L1861-T1877 HydrophobicContact CB-CG2 3.99Å; L1861-L1959 HydrophobicContact CD1-CD1 3.93Å; L1861-S1962 WeakPolarHBondContact CD1-OG 3.32Å; L1861-M1963 HydrophobicContact CD1-SD 4.45Å; L1861-M1963 HydrophobicContact CD2-SD 4.18Å; L1861-L1966 HydrophobicContact CD2-CB 4.49Å; L1861-L1966 HydrophobicContact CD2-CD2 3.93Å |
| 1862 | R | 84.2 | Confident | 77.3 | Confident | 104 Ų | 104 | 35.9 Ų | 35.9 | 39% | 0.392 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 175.1 | -170.7 | 172.5 | -179.1 | 160.1 | 2.7 | 112 | I1806 T1858 G1859 C1860 Q1865 S1866 T1877 | I1806-R1862 HydrophobicContact CD1-CB 4.04Å; I1806-R1862 HydrophobicContact CD1-CG 4.08Å; I1806-R1862 HydrophobicContact CG2-CG 4.03Å; T1858-R1862 VanDerWaalsContact O-CB 3.32Å; T1858-R1862 WeakPolarHBondContact O-CB 3.3Å; T1858-R1862 PolarHBondContact O-N 3.01Å; G1859-R1862 PolarHBondContact O-N 2.94Å; C1860-R1862 VanDerWaalsContact C-N 3.35Å; R1862-Q1865 PolarHBondContact O-N 3.29Å; R1862-S1866 WeakPolarHBondContact O-CB 3.48Å; R1862-S1866 PolarHBondContact O-N 3.3Å; R1862-T1877 HydrophobicContact CB-CG2 4.19Å |
| 1863 | L | 84.9 | Confident | 75.9 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.1 | -175.8 | 62 | 0 | 0 | 0 | 111.3 | L1802 L1805 I1806 T1809 F1835 G1859 C1860 S1866 L1867 | L1802-L1863 HydrophobicContact CD2-CD2 4.12Å; L1805-L1863 HydrophobicContact CB-CD1 4.08Å; L1805-L1863 HydrophobicContact CB-CD2 4.4Å; L1805-L1863 HydrophobicContact CD1-CD2 4.41Å; I1806-L1863 HydrophobicContact CG1-CB 3.89Å; I1806-L1863 HydrophobicContact CG1-CD1 4Å; T1809-L1863 HydrophobicContact CG2-CD1 4.05Å; F1835-L1863 HydrophobicContact CE1-CD2 3.99Å; F1835-L1863 HydrophobicContact CE1-CG 4.35Å; F1835-L1863 HydrophobicContact CZ-CD2 3.88Å; F1835-L1863 HydrophobicContact CZ-CG 4.13Å; G1859-L1863 WeakPolarHBondContact O-CB 3.38Å; G1859-L1863 PolarHBondContact O-N 2.98Å; C1860-L1863 PolarHBondContact O-N 2.79Å; L1863-S1866 WeakPolarHBondContact O-CB 2.83Å; L1863-S1866 PolarHBondContact O-N 2.96Å; L1863-L1867 HydrophobicContact CG-CD1 4.49Å; L1863-L1867 WeakPolarHBondContact O-CG 3.47Å; L1863-L1867 PolarHBondContact O-N 3.24Å |
| 1864 | I | 83.7 | Confident | 74.8 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 174.8 | -67 | 167.7 | 0 | 0 | 0 | 110.4 | F1835 C1860 L1861 S1866 L1867 L1868 L1876 V1923 L1927 L1966 | F1835-I1864 HydrophobicContact CD1-CD1 3.88Å; F1835-I1864 HydrophobicContact CD1-CG1 3.86Å; F1835-I1864 HydrophobicContact CE1-CD1 4.1Å; F1835-I1864 HydrophobicContact CE1-CG1 3.56Å; F1835-I1864 HydrophobicContact CG-CD1 4.44Å; F1835-I1864 HydrophobicContact CG-CG1 4.49Å; F1835-I1864 HydrophobicContact CZ-CG1 3.96Å; C1860-I1864 WeakPolarHBondContact O-CG1 3.32Å; C1860-I1864 PolarHBondContact O-N 3.44Å; L1861-I1864 PolarHBondContact O-N 3.48Å; I1864-S1866 VanDerWaalsContact C-N 3.32Å; I1864-S1866 PolarHBondContact O-N 3.13Å; I1864-L1867 PolarHBondContact O-N 3.05Å; I1864-L1868 HydrophobicContact CG2-CD1 3.71Å; I1864-L1868 WeakPolarHBondContact O-CD1 3.38Å; I1864-L1868 PolarHBondContact O-N 3.45Å; I1864-L1876 HydrophobicContact CB-CD1 4.33Å; I1864-L1876 HydrophobicContact CG2-CD1 3.65Å; I1864-V1923 HydrophobicContact CG2-CG1 4.37Å; I1864-L1927 HydrophobicContact CD1-CD2 4.48Å; I1864-L1966 HydrophobicContact CG2-CD1 4.45Å |
| 1865 | Q | 81.8 | Confident | 73.8 | Confident | 35 Ų | 35 | 39 Ų | 39 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 176.7 | -174.9 | 175.8 | -2 | 0 | 0 | 111.8 | L1861 R1862 L1868 T1869 L1876 T1877 | L1861-Q1865 VanDerWaalsContact O-CB 3.29Å; L1861-Q1865 WeakPolarHBondContact O-CB 3.33Å; L1861-Q1865 PolarHBondContact O-N 2.88Å; R1862-Q1865 PolarHBondContact O-N 3.29Å; Q1865-L1868 PolarHBondContact O-N 2.83Å; Q1865-T1869 PolarHBondContact O-N 3.35Å; Q1865-L1876 HydrophobicContact CB-CB 4.23Å; Q1865-T1877 VanDerWaalsContact OE1-N 3.12Å; Q1865-T1877 PolarHBondContact OE1-OG1 2.93Å |
| 1866 | S | 79.4 | Confident | 72.7 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.4 | -55.4 | 173.1 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | T1809 R1862 L1863 I1864 L1868 T1869 R1914 | T1809-S1866 WeakPolarHBondContact CB-OG 3.47Å; T1809-S1866 WeakPolarHBondContact OG1-CB 3.19Å; T1809-S1866 PolarHBondContact OG1-OG 3.35Å; R1862-S1866 WeakPolarHBondContact O-CB 3.48Å; R1862-S1866 PolarHBondContact O-N 3.3Å; L1863-S1866 WeakPolarHBondContact O-CB 2.83Å; L1863-S1866 PolarHBondContact O-N 2.96Å; I1864-S1866 VanDerWaalsContact C-N 3.32Å; I1864-S1866 PolarHBondContact O-N 3.13Å; S1866-L1868 PolarHBondContact O-N 3.34Å; S1866-T1869 WeakPolarHBondContact O-CG2 3.34Å; S1866-T1869 PolarHBondContact O-N 2.86Å; S1866-T1869 VanDerWaalsContact O-N 3.09Å; S1866-T1869 PolarHBondContact O-OG1 2.87Å; S1866-R1914 PolarHBondContact O-NH1 3.41Å; S1866-R1914 PolarHBondContact O-NH2 3.07Å |
| 1867 | L | 77.9 | Confident | 71.3 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -23.5 | -179.6 | -65.7 | 171.2 | 0 | 0 | 0 | 115 | T1809 F1815 V1818 L1822 F1835 L1863 I1864 R1914 I1918 | T1809-L1867 HydrophobicContact CG2-CD2 3.78Å; F1815-L1867 HydrophobicContact CD2-CD2 3.71Å; F1815-L1867 HydrophobicContact CE2-CB 4.37Å; F1815-L1867 HydrophobicContact CE2-CD2 3.59Å; V1818-L1867 HydrophobicContact CG1-CD2 4.5Å; L1822-L1867 HydrophobicContact CD1-CD1 3.91Å; F1835-L1867 HydrophobicContact CE2-CD1 4.24Å; F1835-L1867 HydrophobicContact CZ-CD1 4.03Å; L1863-L1867 HydrophobicContact CG-CD1 4.49Å; L1863-L1867 WeakPolarHBondContact O-CG 3.47Å; L1863-L1867 PolarHBondContact O-N 3.24Å; I1864-L1867 PolarHBondContact O-N 3.05Å; L1867-R1914 PolarHBondContact O-NH2 2.98Å; L1867-I1918 HydrophobicContact CB-CD1 3.72Å; L1867-I1918 HydrophobicContact CB-CG1 4.05Å; L1867-I1918 HydrophobicContact CD1-CD1 4.36Å; L1867-I1918 PolarHBondContact O-N 2.79Å; L1867-I1918 VanDerWaalsContact O-N 3.09Å |
| 1868 | L | 72.5 | Confident | 69.3 | Low | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -86.5 | -19.3 | 178.3 | -81.6 | 154.8 | 0 | 0 | 0 | 115.6 | I1864 Q1865 S1866 G1870 L1876 I1918 V1923 L1969 I1976 | I1864-L1868 HydrophobicContact CG2-CD1 3.71Å; I1864-L1868 WeakPolarHBondContact O-CD1 3.38Å; I1864-L1868 PolarHBondContact O-N 3.45Å; Q1865-L1868 PolarHBondContact O-N 2.83Å; S1866-L1868 PolarHBondContact O-N 3.34Å; L1868-G1870 PolarHBondContact O-N 2.88Å; L1868-L1876 HydrophobicContact CD1-CD1 3.9Å; L1868-I1918 HydrophobicContact CG-CG1 4.49Å; L1868-V1923 HydrophobicContact CD1-CG2 4.24Å; L1868-V1923 HydrophobicContact CD2-CG2 3.93Å; L1868-V1923 HydrophobicContact CG-CG2 4.1Å; L1868-L1969 HydrophobicContact CD1-CD1 3.79Å; L1868-L1969 HydrophobicContact CD1-CD2 4.01Å; L1868-L1969 HydrophobicContact CD2-CD1 4.15Å; L1868-L1969 HydrophobicContact CD2-CD2 4.34Å; L1868-I1976 HydrophobicContact CD2-CD1 4.09Å |
| 1869 | T | 64 | Low | 66.9 | Low | 56 Ų | 56 | 47.8 Ų | 47.8 | 34% | 0.344 | 26% | 0.258 | S | S | . | . | trans | -27.4 | 110.5 | -159.4 | 46.8 | 0 | 0 | 0 | 0 | 117.3 | Q1865 S1866 R1914 | Q1865-T1869 PolarHBondContact O-N 3.35Å; S1866-T1869 WeakPolarHBondContact O-CG2 3.34Å; S1866-T1869 PolarHBondContact O-N 2.86Å; S1866-T1869 VanDerWaalsContact O-N 3.09Å; S1866-T1869 PolarHBondContact O-OG1 2.87Å; T1869-R1914 PolarHBondContact OG1-NE 3.42Å; T1869-R1914 PolarHBondContact OG1-NH2 3.19Å | ||
| 1870 | G | 50.4 | Low | 64.3 | Low | 30 Ų | 30 | 52 Ų | 52 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | trans | -142.8 | 139.1 | 134.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | L1868 S1872 T1873 | L1868-G1870 PolarHBondContact O-N 2.88Å; G1870-S1872 PolarHBondContact O-N 2.96Å; G1870-T1873 PolarHBondContact O-N 3.28Å; G1870-T1873 PolarHBondContact O-OG1 3.21Å; G1870-T1873 VanDerWaalsContact O-OG1 3.04Å | ||
| 1871 | H | 42.7 | Very low | 61.4 | Low | 206 Ų | 206 | 59 Ų | 59 | 95% | 0.954 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -9.3 | 176.9 | -73.3 | -77.7 | 0 | 0 | 0 | 114 | ||
| 1872 | S | 47.9 | Very low | 58.5 | Low | 119 Ų | 119 | 62.6 Ų | 62.6 | 83% | 0.832 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 0.1 | 176.3 | 59.6 | 0 | 0 | 0 | 0 | 115 | G1870 | G1870-S1872 PolarHBondContact O-N 2.96Š|
| 1873 | T | 54.7 | Low | 55.5 | Low | 26 Ų | 26 | 64.1 Ų | 64.1 | 16% | 0.16 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -94.3 | 144.5 | 177.4 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | G1870 P1875 I1976 | G1870-T1873 PolarHBondContact O-N 3.28Å; G1870-T1873 PolarHBondContact O-OG1 3.21Å; G1870-T1873 VanDerWaalsContact O-OG1 3.04Å; T1873-P1875 VanDerWaalsContact O-N 3.1Å; T1873-I1976 HydrophobicContact CG2-CD1 3.26Å; T1873-I1976 HydrophobicContact CG2-CG1 4.4Å |
| 1874 | L | 59.8 | Low | 52.5 | Low | 49 Ų | 49 | 68.9 Ų | 68.9 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | trans | -44.5 | 118.2 | 173.5 | -96.9 | 125 | 0 | 0 | 0 | 110.3 | L1876 N1965 Y1974 | L1874-L1876 PolarHBondContact O-N 3.41Å; L1874-N1965 HydrophobicContact CB-CB 4.26Å; L1874-N1965 HydrophobicContact CD2-CB 3.93Å; L1874-N1965 VanDerWaalsContact CD2-CG 3.43Å; L1874-N1965 WeakPolarHBondContact CD2-OD1 3.38Å; L1874-Y1974 HydrophobicContact CD1-CD1 3.98Å; L1874-Y1974 HydrophobicContact CD1-CE1 3.62Å; L1874-Y1974 HydrophobicContact CD1-CE2 4.28Å; L1874-Y1974 HydrophobicContact CD1-CG 4.44Å | ||
| 1875 | P | 65.2 | Low | 49.7 | Very low | 69 Ų | 69 | 78.8 Ų | 78.8 | 45% | 0.448 | 42% | 0.418 | S | S | . | . | trans | -66.6 | 113.1 | -175.3 | 25.1 | -32.4 | 0 | 0 | 0 | 109.4 | T1873 T1877 N1965 | T1873-P1875 VanDerWaalsContact O-N 3.1Å; P1875-T1877 PolarHBondContact O-N 3.35Å; P1875-N1965 PolarHBondContact O-ND2 3.47Å | ||
| 1876 | L | 59.3 | Low | 46.9 | Very low | 1 Ų | 1 | 82.2 Ų | 82.2 | 1% | 0.005 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -76 | -4.4 | 176 | -60.1 | 178.5 | 0 | 0 | 0 | 112.4 | I1864 Q1865 L1868 L1874 S1962 N1965 L1966 | I1864-L1876 HydrophobicContact CB-CD1 4.33Å; I1864-L1876 HydrophobicContact CG2-CD1 3.65Å; Q1865-L1876 HydrophobicContact CB-CB 4.23Å; L1868-L1876 HydrophobicContact CD1-CD1 3.9Å; L1874-L1876 PolarHBondContact O-N 3.41Å; L1876-S1962 WeakPolarHBondContact O-CB 3.3Å; L1876-N1965 VanDerWaalsContact CD2-C 3.45Å; L1876-N1965 HydrophobicContact CD2-CB 3.89Å; L1876-L1966 HydrophobicContact CD1-CD1 3.97Å; L1876-L1966 VanDerWaalsContact CD2-CA 3.46Å; L1876-L1966 HydrophobicContact CD2-CB 3.88Å; L1876-L1966 HydrophobicContact CD2-CD1 4.16Å; L1876-L1966 VanDerWaalsContact CD2-N 3.28Å |
| 1877 | T | 58.6 | Low | 44.2 | Very low | 22 Ų | 22 | 88.6 Ų | 88.6 | 14% | 0.135 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -134.5 | 146.7 | 166.6 | 62.3 | 0 | 0 | 0 | 0 | 107.3 | L1861 R1862 Q1865 P1875 M1879 | L1861-T1877 HydrophobicContact CB-CG2 3.99Å; R1862-T1877 HydrophobicContact CB-CG2 4.19Å; Q1865-T1877 VanDerWaalsContact OE1-N 3.12Å; Q1865-T1877 PolarHBondContact OE1-OG1 2.93Å; P1875-T1877 PolarHBondContact O-N 3.35Å; T1877-M1879 VanDerWaalsContact C-N 3.32Å; T1877-M1879 PolarHBondContact O-N 2.98Å |
| 1878 | F | 46.9 | Very low | 41.5 | Very low | 132 Ų | 132 | 93.8 Ų | 93.8 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | trans | -61.8 | 110.6 | 156.5 | -81.7 | -90.6 | 0 | 0 | 0 | 105 | S1880 | F1878-S1880 PolarHBondContact O-N 3.41Š| ||
| 1879 | M | 33.5 | Very low | 39.1 | Very low | 112 Ų | 112 | 100.9 Ų | 100.9 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | trans | -60.5 | 92.5 | 146 | -60 | -139.4 | 74.8 | 0 | 0 | 103.4 | T1877 K1881 | T1877-M1879 VanDerWaalsContact C-N 3.32Å; T1877-M1879 PolarHBondContact O-N 2.98Å; M1879-K1881 PolarHBondContact O-N 3.2Å | ||
| 1880 | S | 30.2 | Very low | 37.1 | Very low | 95 Ų | 95 | 107.2 Ų | 107.2 | 66% | 0.664 | 56% | 0.56 | S | S | * | * | trans | -40.1 | 114.5 | 136.7 | -58 | 0 | 0 | 0 | 0 | 101.7 | F1878 C1882 | F1878-S1880 PolarHBondContact O-N 3.41Å; S1880-C1882 VanDerWaalsContact O-CA 3.3Å; S1880-C1882 WeakPolarHBondContact O-CA 3.45Å; S1880-C1882 PolarHBondContact O-N 2.87Å | ||
| 1881 | K | 25.7 | Very low | 35.8 | Very low | 152 Ų | 152 | 114.1 Ų | 114.1 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | trans | -33.2 | 102.1 | 165.4 | -90.5 | 171.9 | 164.7 | 179.8 | 0 | 103.1 | M1879 I1883 E1887 | M1879-K1881 PolarHBondContact O-N 3.2Å; K1881-I1883 WeakPolarHBondContact O-CA 3.26Å; K1881-I1883 PolarHBondContact O-N 3.26Å; K1881-E1887 IonicContact NZ-OE1 2.63Å; K1881-E1887 PolarHBondContact NZ-OE1 3.18Å | ||
| 1882 | C | 24.1 | Very low | 34.8 | Very low | 79 Ų | 79 | 110.8 Ų | 110.8 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | trans | -63.6 | 105.7 | -173.5 | -91.3 | 0 | 0 | 0 | 0 | 99.6 | S1880 N1884 | S1880-C1882 VanDerWaalsContact O-CA 3.3Å; S1880-C1882 WeakPolarHBondContact O-CA 3.45Å; S1880-C1882 PolarHBondContact O-N 2.87Å; C1882-N1884 WeakPolarHBondContact O-CA 3.49Å; C1882-N1884 PolarHBondContact O-N 2.75Å | ||
| 1883 | I | 22.8 | Very low | 33.5 | Very low | 136 Ų | 136 | 111.3 Ų | 111.3 | 70% | 0.697 | 57% | 0.574 | S | S | * | * | trans | -18.9 | 90.3 | -164.5 | -72 | 156.6 | 0 | 0 | 0 | 104.8 | K1881 W1885 | K1881-I1883 WeakPolarHBondContact O-CA 3.26Å; K1881-I1883 PolarHBondContact O-N 3.26Å; I1883-W1885 HydrophobicContact CG2-CG 4.48Å; I1883-W1885 PolarHBondContact O-N 2.93Å | ||
| 1884 | N | 22.2 | Very low | 32.1 | Very low | 100 Ų | 100 | 114.1 Ų | 114.1 | 54% | 0.535 | 60% | 0.6 | S | S | . | * | trans | -60.1 | 119.2 | 166 | -167.3 | 14.9 | 0 | 0 | 0 | 97.6 | C1882 N1886 E1887 | C1882-N1884 WeakPolarHBondContact O-CA 3.49Å; C1882-N1884 PolarHBondContact O-N 2.75Å; N1884-N1886 HydrophobicContact CB-CB 4.32Å; N1884-N1886 PolarHBondContact ND2-ND2 3.23Å; N1884-N1886 VanDerWaalsContact ND2-ND2 3.17Å; N1884-N1886 PolarHBondContact O-N 3.01Å; N1884-E1887 PolarHBondContact O-N 3.22Å | ||
| 1885 | W | 24 | Very low | 30.3 | Very low | 215 Ų | 215 | 116.7 Ų | 116.7 | 81% | 0.814 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 28.3 | 179.3 | -84.5 | 82.7 | 0 | 0 | 0 | 111.1 | I1883 | I1883-W1885 HydrophobicContact CG2-CG 4.48Å; I1883-W1885 PolarHBondContact O-N 2.93Å |
| 1886 | N | 23.4 | Very low | 28.2 | Very low | 108 Ų | 108 | 120.9 Ų | 120.9 | 58% | 0.578 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -0.7 | 178.6 | -65 | 17.3 | 0 | 0 | 0 | 112.1 | N1884 | N1884-N1886 HydrophobicContact CB-CB 4.32Å; N1884-N1886 PolarHBondContact ND2-ND2 3.23Å; N1884-N1886 VanDerWaalsContact ND2-ND2 3.17Å; N1884-N1886 PolarHBondContact O-N 3.01Å |
| 1887 | E | 22.5 | Very low | 26.5 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -106.5 | 10.9 | 168.7 | -77.7 | 177 | -154.3 | 0 | 0 | 113.2 | K1881 N1884 E1889 | K1881-E1887 IonicContact NZ-OE1 2.63Å; K1881-E1887 PolarHBondContact NZ-OE1 3.18Å; N1884-E1887 PolarHBondContact O-N 3.22Å; E1887-E1889 VanDerWaalsContact C-N 3.33Å |
| 1888 | C | 20.8 | Very low | 24.9 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -99.5 | 34.9 | 150.7 | -82.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1889 | E | 22.4 | Very low | 23.8 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 71% | 0.71 | 72% | 0.721 | S | S | * | * | trans | -140.3 | 65.4 | 155.5 | -71 | -168.5 | 171.2 | 0 | 0 | 109.1 | E1887 F1891 | E1887-E1889 VanDerWaalsContact C-N 3.33Å; E1889-F1891 PolarHBondContact O-N 2.82Å | ||
| 1890 | E | 21.3 | Very low | 23.3 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | -78.7 | 68.1 | 134.4 | -89.4 | -173.1 | 161.1 | 0 | 0 | 107.3 | ||||
| 1891 | F | 22.8 | Very low | 23.1 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 77% | 0.772 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -140 | 89.6 | 157.8 | -94.1 | -76.6 | 0 | 0 | 0 | 106.2 | E1889 | E1889-F1891 PolarHBondContact O-N 2.82Š|
| 1892 | D | 21.8 | Very low | 23.1 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 52.9 | 69.9 | 155.2 | -60 | -30.4 | 0 | 0 | 0 | 119 | A1894 | D1892-A1894 PolarHBondContact O-N 2.64Š| ||
| 1893 | S | 21.5 | Very low | 23.3 | Very low | 130 Ų | 130 | 136 Ų | 136 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -76.1 | 64 | 148.8 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1894 | A | 25 | Very low | 23.5 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -140.6 | 36 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1892 | D1892-A1894 PolarHBondContact O-N 2.64Š|
| 1895 | S | 22.5 | Very low | 23.8 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -174.1 | 61.9 | 160.9 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1896 | L | 22 | Very low | 23.9 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -160.8 | 101.3 | 149.2 | -135.3 | 77.9 | 0 | 0 | 0 | 111 | V1898 | L1896-V1898 VanDerWaalsContact C-N 3.27Å; L1896-V1898 HydrophobicContact CD2-CG2 3.68Å; L1896-V1898 HydrophobicContact CG-CG2 4Å; L1896-V1898 PolarHBondContact O-N 3.07Å | ||
| 1897 | G | 22.2 | Very low | 24.2 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 94% | 0.938 | 73% | 0.728 | S | S | * | * | trans | -72.8 | 84.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1898 | V | 24.9 | Very low | 24.6 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 58% | 0.582 | 72% | 0.719 | S | S | * | * | trans | -119.2 | 112.6 | 163 | 176.9 | 0 | 0 | 0 | 0 | 106.6 | L1896 I1900 | L1896-V1898 VanDerWaalsContact C-N 3.27Å; L1896-V1898 HydrophobicContact CD2-CG2 3.68Å; L1896-V1898 HydrophobicContact CG-CG2 4Å; L1896-V1898 PolarHBondContact O-N 3.07Å; V1898-I1900 VanDerWaalsContact C-N 3.27Å; V1898-I1900 PolarHBondContact O-N 3.37Å | ||
| 1899 | Q | 24 | Very low | 25.4 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 91% | 0.907 | 71% | 0.711 | S | S | * | * | trans | -59.5 | 90.7 | 169.9 | -76.5 | 174.7 | -26.6 | 0 | 0 | 108.6 | D1901 | Q1899-D1901 PolarHBondContact O-N 3.09Š| ||
| 1900 | I | 24.3 | Very low | 26.2 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | trans | -76.2 | 105.3 | 160.5 | -60.4 | 174.6 | 0 | 0 | 0 | 104.7 | V1898 D1902 | V1898-I1900 VanDerWaalsContact C-N 3.27Å; V1898-I1900 PolarHBondContact O-N 3.37Å; I1900-D1902 PolarHBondContact O-N 2.65Å | ||
| 1901 | D | 25.1 | Very low | 27.2 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | trans | -55.7 | 112.3 | 179.5 | -143.3 | -0.8 | 0 | 0 | 0 | 108.3 | Q1899 K1903 Y1904 | Q1899-D1901 PolarHBondContact O-N 3.09Å; D1901-K1903 PolarHBondContact O-N 2.66Å; D1901-Y1904 PolarHBondContact O-N 3.25Å | ||
| 1902 | D | 26.3 | Very low | 28.5 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 67% | 0.674 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 9.2 | -175.6 | -92.1 | -34.2 | 0 | 0 | 0 | 115.2 | I1900 N1906 | I1900-D1902 PolarHBondContact O-N 2.65Å; D1902-N1906 PolarHBondContact O-ND2 3.42Å |
| 1903 | K | 28.1 | Very low | 29.9 | Very low | 149 Ų | 149 | 116.1 Ų | 116.1 | 65% | 0.648 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -89.8 | -24.4 | -178.8 | -74 | -178.3 | 178.2 | 170.7 | 0 | 114.3 | D1901 | D1901-K1903 PolarHBondContact O-N 2.66Å |
| 1904 | Y | 26.8 | Very low | 32.2 | Very low | 188 Ų | 188 | 111.3 Ų | 111.3 | 74% | 0.737 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81.8 | -42.5 | -177.2 | -97 | -86.3 | 0 | 0 | 0 | 113.4 | D1901 N1906 R1907 | D1901-Y1904 PolarHBondContact O-N 3.25Å; Y1904-N1906 VanDerWaalsContact C-N 3.31Å; Y1904-N1906 PolarHBondContact O-N 2.8Å; Y1904-R1907 PolarHBondContact O-N 3.29Å |
| 1905 | V | 28.4 | Very low | 34.1 | Very low | 95 Ų | 95 | 112.2 Ų | 112.2 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.3 | -35.2 | 178 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | R1907 T1908 V1909 | V1905-R1907 VanDerWaalsContact C-N 3.33Å; V1905-R1907 PolarHBondContact O-N 2.89Å; V1905-T1908 PolarHBondContact O-OG1 3.11Å; V1905-V1909 WeakPolarHBondContact O-CG2 3.41Å; V1905-V1909 PolarHBondContact O-N 3.34Å |
| 1906 | N | 26.7 | Very low | 36.3 | Very low | 92 Ų | 92 | 109.1 Ų | 109.1 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.2 | -21.5 | 178.9 | -77 | -32.7 | 0 | 0 | 0 | 114.1 | D1902 Y1904 N1910 | D1902-N1906 PolarHBondContact O-ND2 3.42Å; Y1904-N1906 VanDerWaalsContact C-N 3.31Å; Y1904-N1906 PolarHBondContact O-N 2.8Å; N1906-N1910 VanDerWaalsContact O-CG 3.31Å; N1906-N1910 PolarHBondContact O-N 3.21Å |
| 1907 | R | 28.2 | Very low | 38.8 | Very low | 190 Ų | 190 | 102.8 Ų | 102.8 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.1 | -39.3 | 176.5 | -91.8 | -171.7 | -166.7 | 176.5 | 4.9 | 113.1 | Y1904 V1905 N1910 | Y1904-R1907 PolarHBondContact O-N 3.29Å; V1905-R1907 VanDerWaalsContact C-N 3.33Å; V1905-R1907 PolarHBondContact O-N 2.89Å; R1907-N1910 PolarHBondContact O-N 3.14Å |
| 1908 | T | 31.8 | Very low | 41.3 | Very low | 83 Ų | 83 | 98.8 Ų | 98.8 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.6 | -31.3 | 178.4 | 44.2 | 0 | 0 | 0 | 0 | 112.8 | V1905 N1910 L1911 | V1905-T1908 PolarHBondContact O-OG1 3.11Å; T1908-N1910 VanDerWaalsContact C-N 3.28Å; T1908-N1910 PolarHBondContact O-N 3.42Å; T1908-L1911 HydrophobicContact CG2-CD1 4.27Å; T1908-L1911 WeakPolarHBondContact O-CB 3.18Å; T1908-L1911 PolarHBondContact O-N 3.18Å |
| 1909 | V | 36.4 | Very low | 43.7 | Very low | 96 Ų | 96 | 95 Ų | 95 | 58% | 0.582 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.2 | -30.3 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | V1905 L1911 | V1905-V1909 WeakPolarHBondContact O-CG2 3.41Å; V1905-V1909 PolarHBondContact O-N 3.34Å; V1909-L1911 VanDerWaalsContact C-N 3.31Å; V1909-L1911 PolarHBondContact O-N 3.26Å |
| 1910 | N | 40.9 | Very low | 46 | Very low | 104 Ų | 104 | 85.8 Ų | 85.8 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -75.6 | -12 | 177.2 | -75.6 | -7.4 | 0 | 0 | 0 | 114.7 | N1906 R1907 T1908 F1912 | N1906-N1910 VanDerWaalsContact O-CG 3.31Å; N1906-N1910 PolarHBondContact O-N 3.21Å; R1907-N1910 PolarHBondContact O-N 3.14Å; T1908-N1910 VanDerWaalsContact C-N 3.28Å; T1908-N1910 PolarHBondContact O-N 3.42Å; N1910-F1912 PolarHBondContact O-N 3.42Å; N1910-F1912 VanDerWaalsContact O-N 3.14Å |
| 1911 | L | 41.8 | Very low | 48.4 | Very low | 68 Ų | 68 | 84.9 Ų | 84.9 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -63.7 | -18.2 | 179.8 | -66.9 | 170.4 | 0 | 0 | 0 | 113.4 | E1763 T1908 V1909 | E1763-L1911 HydrophobicContact CG-CD2 3.68Å; E1763-L1911 VanDerWaalsContact OE1-CD2 3.26Å; E1763-L1911 WeakPolarHBondContact OE1-CD2 3.24Å; T1908-L1911 HydrophobicContact CG2-CD1 4.27Å; T1908-L1911 WeakPolarHBondContact O-CB 3.18Å; T1908-L1911 PolarHBondContact O-N 3.18Å; V1909-L1911 VanDerWaalsContact C-N 3.31Å; V1909-L1911 PolarHBondContact O-N 3.26Å |
| 1912 | F | 49.2 | Very low | 50.9 | Low | 51 Ų | 51 | 81.5 Ų | 81.5 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -127.7 | 31 | -173 | -53 | -69.9 | 0 | 0 | 0 | 113.5 | V1735 T1739 F1766 L1767 H1811 N1910 R1914 | V1735-F1912 HydrophobicContact CG1-CE1 3.83Å; V1735-F1912 HydrophobicContact CG1-CZ 4.12Å; T1739-F1912 HydrophobicContact CG2-CE2 3.8Å; T1739-F1912 HydrophobicContact CG2-CZ 3.76Å; F1766-F1912 HydrophobicContact CE1-CZ 4.22Å; L1767-F1912 HydrophobicContact CD2-CE1 4.2Å; H1811-F1912 AromaticContact CE1-CD1 3.42Å; H1811-F1912 VanDerWaalsContact CE1-CD1 3.42Å; H1811-F1912 WeakPolarHBondContact CE1-CD1 3.44Å; H1811-F1912 AromaticContact CE1-CE1 3.81Å; H1811-F1912 AromaticContact ND1-CD1 3.61Å; N1910-F1912 PolarHBondContact O-N 3.42Å; N1910-F1912 VanDerWaalsContact O-N 3.14Å; F1912-R1914 PolarHBondContact O-N 2.84Å; F1912-R1914 VanDerWaalsContact O-N 3.07Å |
| 1913 | T | 52.7 | Low | 53.3 | Low | 87 Ų | 87 | 75.7 Ų | 75.7 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | trans | -74.7 | 101 | 172.3 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | Q1915 | T1913-Q1915 PolarHBondContact O-N 3.47Š| ||
| 1914 | R | 68.4 | Low | 55.7 | Low | 29 Ų | 29 | 69.6 Ų | 69.6 | 11% | 0.109 | 34% | 0.341 | C | S | . | . | trans | -62.9 | 127.3 | 172.6 | -160.2 | -171.7 | 97.1 | -164.6 | -6.7 | 110.8 | T1809 D1812 S1866 L1867 T1869 F1912 L1916 | T1809-R1914 WeakPolarHBondContact O-CD 3.34Å; T1809-R1914 PolarHBondContact O-NH1 3.36Å; D1812-R1914 WeakPolarHBondContact OD1-CG 3.48Å; S1866-R1914 PolarHBondContact O-NH1 3.41Å; S1866-R1914 PolarHBondContact O-NH2 3.07Å; L1867-R1914 PolarHBondContact O-NH2 2.98Å; T1869-R1914 PolarHBondContact OG1-NE 3.42Å; T1869-R1914 PolarHBondContact OG1-NH2 3.19Å; F1912-R1914 PolarHBondContact O-N 2.84Å; F1912-R1914 VanDerWaalsContact O-N 3.07Å; R1914-L1916 PolarHBondContact NE-O 3.42Å; R1914-L1916 PolarHBondContact NH2-O 2.91Å | ||
| 1915 | Q | 66 | Low | 58.1 | Low | 104 Ų | 104 | 65.7 Ų | 65.7 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | trans | -98.6 | -26.9 | -176.5 | -64.1 | -172.9 | 1.1 | 0 | 0 | 113.4 | D1812 T1913 | D1812-Q1915 PolarHBondContact OD1-N 2.64Å; T1913-Q1915 PolarHBondContact O-N 3.47Å | ||
| 1916 | L | 69.1 | Low | 60.5 | Low | 37 Ų | 37 | 61.6 Ų | 61.6 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | trans | -84.3 | 141.3 | -177.5 | -61.5 | 172.7 | 0 | 0 | 0 | 110.9 | D1812 F1815 V1816 R1914 | D1812-L1916 HydrophobicContact CB-CD1 4.13Å; D1812-L1916 PolarHBondContact OD1-N 2.59Å; F1815-L1916 HydrophobicContact CD1-CB 3.52Å; F1815-L1916 HydrophobicContact CD1-CD1 4.06Å; F1815-L1916 HydrophobicContact CD1-CG 4.45Å; F1815-L1916 HydrophobicContact CE1-CB 3.54Å; F1815-L1916 HydrophobicContact CG-CB 4.37Å; F1815-L1916 HydrophobicContact CZ-CB 4.39Å; V1816-L1916 HydrophobicContact CG2-CD1 3.64Å; R1914-L1916 PolarHBondContact NE-O 3.42Å; R1914-L1916 PolarHBondContact NH2-O 2.91Å | ||
| 1917 | H | 73.6 | Confident | 62.9 | Low | 24 Ų | 24 | 57.4 Ų | 57.4 | 11% | 0.111 | 28% | 0.282 | C | S | . | . | trans | -148.1 | 156.4 | 175.8 | 59.5 | -86.6 | 0 | 0 | 0 | 111.5 | I1976 P1977 | H1917-I1976 WeakPolarHBondContact NE2-CG2 3.18Å; H1917-P1977 PolarHBondContact NE2-O 3.03Å | ||
| 1918 | I | 75.8 | Confident | 65.1 | Low | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | trans | -83.6 | 152.5 | 172.5 | 63.5 | 175.8 | 0 | 0 | 0 | 111 | F1815 L1867 L1868 R1922 V1923 L1926 | F1815-I1918 HydrophobicContact CE2-CG2 4.18Å; F1815-I1918 HydrophobicContact CZ-CG2 3.82Å; L1867-I1918 HydrophobicContact CB-CD1 3.72Å; L1867-I1918 HydrophobicContact CB-CG1 4.05Å; L1867-I1918 HydrophobicContact CD1-CD1 4.36Å; L1867-I1918 PolarHBondContact O-N 2.79Å; L1867-I1918 VanDerWaalsContact O-N 3.09Å; L1868-I1918 HydrophobicContact CG-CG1 4.49Å; I1918-R1922 HydrophobicContact CB-CB 4.37Å; I1918-R1922 HydrophobicContact CB-CG 4.48Å; I1918-V1923 HydrophobicContact CD1-CG2 3.47Å; I1918-V1923 VanDerWaalsContact CD1-CG2 3.47Å; I1918-V1923 HydrophobicContact CG1-CG2 3.95Å; I1918-L1926 HydrophobicContact CD1-CD1 3.93Å | ||
| 1919 | S | 75.1 | Confident | 67 | Low | 16 Ų | 16 | 48.7 Ų | 48.7 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | trans | -74 | 155.6 | 173.5 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | E1921 R1922 V1923 I1976 | S1919-E1921 PolarHBondContact O-N 2.69Å; S1919-R1922 WeakPolarHBondContact O-CB 3.37Å; S1919-R1922 PolarHBondContact O-N 3Å; S1919-R1922 WeakPolarHBondContact OG-CB 3.01Å; S1919-R1922 PolarHBondContact OG-N 3.09Å; S1919-R1922 VanDerWaalsContact OG-N 3.13Å; S1919-V1923 PolarHBondContact O-N 3.25Å; S1919-V1923 VanDerWaalsContact O-N 3.07Å; S1919-I1976 VanDerWaalsContact CA-O 3.27Å; S1919-I1976 WeakPolarHBondContact CA-O 3.49Å; S1919-I1976 WeakPolarHBondContact CB-O 3.43Å | ||
| 1920 | G | 70.8 | Confident | 68.3 | Low | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -31.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1923 R1924 D1975 | G1920-V1923 WeakPolarHBondContact O-CB 3.31Å; G1920-V1923 PolarHBondContact O-N 2.9Å; G1920-R1924 PolarHBondContact O-N 3.44Å; G1920-D1975 VanDerWaalsContact CA-OD1 3.27Å; G1920-D1975 WeakPolarHBondContact CA-OD1 3.39Å |
| 1921 | E | 74.5 | Confident | 69 | Low | 115 Ų | 115 | 45.7 Ų | 45.7 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 170.5 | -174 | 176.6 | -166.9 | 0 | 0 | 112.2 | S1919 V1923 R1924 E1925 D1975 | S1919-E1921 PolarHBondContact O-N 2.69Å; E1921-V1923 VanDerWaalsContact C-N 3.31Å; E1921-V1923 PolarHBondContact O-N 3.31Å; E1921-R1924 VanDerWaalsContact CA-NH2 3.32Å; E1921-R1924 WeakPolarHBondContact O-CB 3.23Å; E1921-R1924 PolarHBondContact O-N 3.5Å; E1921-R1924 VanDerWaalsContact O-N 3.14Å; E1921-E1925 PolarHBondContact O-N 3.5Å; E1921-D1975 PolarHBondContact N-OD1 3.24Å |
| 1922 | R | 77.6 | Confident | 69.5 | Low | 50 Ų | 50 | 45.5 Ų | 45.5 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 176.7 | -169.4 | 68.2 | -174.9 | 121.6 | 5.3 | 111.2 | D1823 I1918 S1919 R1924 E1925 L1926 | D1823-R1922 IonicContact OD1-CZ 3.67Å; D1823-R1922 IonicContact OD1-NE 3.32Å; D1823-R1922 IonicContact OD1-NH2 3.89Å; D1823-R1922 PolarHBondContact OD1-NH2 3.24Å; I1918-R1922 HydrophobicContact CB-CB 4.37Å; I1918-R1922 HydrophobicContact CB-CG 4.48Å; S1919-R1922 WeakPolarHBondContact O-CB 3.37Å; S1919-R1922 PolarHBondContact O-N 3Å; S1919-R1922 WeakPolarHBondContact OG-CB 3.01Å; S1919-R1922 PolarHBondContact OG-N 3.09Å; S1919-R1922 VanDerWaalsContact OG-N 3.13Å; R1922-R1924 VanDerWaalsContact C-N 3.3Å; R1922-R1924 PolarHBondContact O-N 2.71Å; R1922-E1925 WeakPolarHBondContact CD-OE2 3.45Å; R1922-E1925 IonicContact CZ-OE2 3.2Å; R1922-E1925 IonicContact NE-OE2 2.89Å; R1922-E1925 IonicContact NH1-OE2 2.81Å; R1922-E1925 PolarHBondContact NH1-OE2 3Å; R1922-E1925 PolarHBondContact O-N 3.14Å; R1922-L1926 HydrophobicContact CG-CD1 4.08Å; R1922-L1926 HydrophobicContact CG-CG 4.24Å; R1922-L1926 WeakPolarHBondContact O-CB 3.11Å; R1922-L1926 WeakPolarHBondContact O-CG 3.32Å; R1922-L1926 PolarHBondContact O-N 2.92Å |
| 1923 | V | 77.6 | Confident | 69.7 | Low | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 173.9 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | I1864 L1868 I1918 S1919 G1920 E1921 L1926 L1927 L1969 L1970 | I1864-V1923 HydrophobicContact CG2-CG1 4.37Å; L1868-V1923 HydrophobicContact CD1-CG2 4.24Å; L1868-V1923 HydrophobicContact CD2-CG2 3.93Å; L1868-V1923 HydrophobicContact CG-CG2 4.1Å; I1918-V1923 HydrophobicContact CD1-CG2 3.47Å; I1918-V1923 VanDerWaalsContact CD1-CG2 3.47Å; I1918-V1923 HydrophobicContact CG1-CG2 3.95Å; S1919-V1923 PolarHBondContact O-N 3.25Å; S1919-V1923 VanDerWaalsContact O-N 3.07Å; G1920-V1923 WeakPolarHBondContact O-CB 3.31Å; G1920-V1923 PolarHBondContact O-N 2.9Å; E1921-V1923 VanDerWaalsContact C-N 3.31Å; E1921-V1923 PolarHBondContact O-N 3.31Å; V1923-L1926 PolarHBondContact O-N 2.97Å; V1923-L1927 HydrophobicContact CG1-CD1 3.93Å; V1923-L1927 PolarHBondContact O-N 2.81Å; V1923-L1927 VanDerWaalsContact O-N 3.08Å; V1923-L1969 HydrophobicContact CB-CD2 4.25Å; V1923-L1969 HydrophobicContact CG1-CD2 3.85Å; V1923-L1969 HydrophobicContact CG2-CD2 4.4Å; V1923-L1970 HydrophobicContact CG1-CD2 4.18Å |
| 1924 | R | 77.6 | Confident | 69.8 | Low | 21 Ų | 21 | 47.2 Ų | 47.2 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.5 | -71 | -173.6 | -67 | -92.8 | 3.5 | 111.9 | G1920 E1921 R1922 L1926 L1927 G1928 W1929 L1970 H1972 D1975 | G1920-R1924 PolarHBondContact O-N 3.44Å; E1921-R1924 VanDerWaalsContact CA-NH2 3.32Å; E1921-R1924 WeakPolarHBondContact O-CB 3.23Å; E1921-R1924 PolarHBondContact O-N 3.5Å; E1921-R1924 VanDerWaalsContact O-N 3.14Å; R1922-R1924 VanDerWaalsContact C-N 3.3Å; R1922-R1924 PolarHBondContact O-N 2.71Å; R1924-L1926 PolarHBondContact O-N 3.37Å; R1924-L1927 PolarHBondContact O-N 3.31Å; R1924-G1928 PolarHBondContact O-N 2.89Å; R1924-G1928 VanDerWaalsContact O-N 3.15Å; R1924-W1929 HydrophobicContact CB-CB 4.16Å; R1924-W1929 HydrophobicContact CG-CB 4.39Å; R1924-W1929 HydrophobicContact CG-CG 4.49Å; R1924-W1929 PolarHBondContact O-N 3.5Å; R1924-L1970 HydrophobicContact CB-CD2 4.41Å; R1924-L1970 HydrophobicContact CG-CD2 3.69Å; R1924-H1972 PolarHBondContact NH1-ND1 2.61Å; R1924-D1975 IonicContact CZ-OD1 3.16Å; R1924-D1975 VanDerWaalsContact CZ-OD1 3.32Å; R1924-D1975 IonicContact CZ-OD2 3.35Å; R1924-D1975 IonicContact NH1-OD1 2.75Å; R1924-D1975 PolarHBondContact NH1-OD1 3.2Å; R1924-D1975 IonicContact NH1-OD2 3.09Å; R1924-D1975 PolarHBondContact NH1-OD2 3.47Å; R1924-D1975 VanDerWaalsContact NH1-OD2 3.09Å; R1924-D1975 VanDerWaalsContact NH2-CG 3.34Å; R1924-D1975 IonicContact NH2-OD1 2.71Å; R1924-D1975 PolarHBondContact NH2-OD1 3.23Å; R1924-D1975 VanDerWaalsContact NH2-OD1 3.16Å; R1924-D1975 IonicContact NH2-OD2 2.72Å; R1924-D1975 PolarHBondContact NH2-OD2 2.85Å |
| 1925 | E | 77.7 | Confident | 69 | Low | 107 Ų | 107 | 52.5 Ų | 52.5 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.4 | -67.7 | -179.2 | 166 | 0 | 0 | 112.3 | E1921 R1922 L1927 G1928 | E1921-E1925 PolarHBondContact O-N 3.5Å; R1922-E1925 WeakPolarHBondContact CD-OE2 3.45Å; R1922-E1925 IonicContact CZ-OE2 3.2Å; R1922-E1925 IonicContact NE-OE2 2.89Å; R1922-E1925 IonicContact NH1-OE2 2.81Å; R1922-E1925 PolarHBondContact NH1-OE2 3Å; R1922-E1925 PolarHBondContact O-N 3.14Å; E1925-L1927 VanDerWaalsContact C-N 3.29Å; E1925-L1927 PolarHBondContact O-N 2.89Å; E1925-G1928 PolarHBondContact O-N 3.33Å; E1925-G1928 VanDerWaalsContact O-N 3.08Å |
| 1926 | L | 79.6 | Confident | 68.6 | Low | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -30.5 | -178.7 | -71.1 | 172 | 0 | 0 | 0 | 113 | H1833 F1835 I1918 R1922 V1923 R1924 | H1833-L1926 WeakPolarHBondContact CB-O 2.93Å; H1833-L1926 WeakPolarHBondContact CE1-CD2 3.34Å; H1833-L1926 PolarHBondContact ND1-O 3.27Å; H1833-L1926 VanDerWaalsContact NE2-CD2 3.32Å; H1833-L1926 WeakPolarHBondContact NE2-CD2 3.49Å; F1835-L1926 HydrophobicContact CD2-CB 4.02Å; F1835-L1926 HydrophobicContact CD2-CD1 4.44Å; F1835-L1926 HydrophobicContact CE2-CD1 4.32Å; I1918-L1926 HydrophobicContact CD1-CD1 3.93Å; R1922-L1926 HydrophobicContact CG-CD1 4.08Å; R1922-L1926 HydrophobicContact CG-CG 4.24Å; R1922-L1926 WeakPolarHBondContact O-CB 3.11Å; R1922-L1926 WeakPolarHBondContact O-CG 3.32Å; R1922-L1926 PolarHBondContact O-N 2.92Å; V1923-L1926 PolarHBondContact O-N 2.97Å; R1924-L1926 PolarHBondContact O-N 3.37Å |
| 1927 | L | 77.5 | Confident | 68.6 | Low | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.2 | 175.4 | -75.2 | 165.4 | 0 | 0 | 0 | 113.1 | F1835 V1839 I1864 V1923 R1924 E1925 W1929 V1939 L1966 L1970 | F1835-L1927 HydrophobicContact CB-CD2 3.84Å; F1835-L1927 HydrophobicContact CB-CG 4.41Å; V1839-L1927 HydrophobicContact CG2-CD2 4.05Å; I1864-L1927 HydrophobicContact CD1-CD2 4.48Å; V1923-L1927 HydrophobicContact CG1-CD1 3.93Å; V1923-L1927 PolarHBondContact O-N 2.81Å; V1923-L1927 VanDerWaalsContact O-N 3.08Å; R1924-L1927 PolarHBondContact O-N 3.31Å; E1925-L1927 VanDerWaalsContact C-N 3.29Å; E1925-L1927 PolarHBondContact O-N 2.89Å; L1927-W1929 PolarHBondContact O-N 3.29Å; L1927-V1939 HydrophobicContact CD2-CG2 4.28Å; L1927-L1966 HydrophobicContact CD1-CD1 4.11Å; L1927-L1966 HydrophobicContact CD1-CD2 4.17Å; L1927-L1966 HydrophobicContact CD1-CG 4.44Å; L1927-L1970 HydrophobicContact CD1-CD1 4.23Å; L1927-L1970 HydrophobicContact CD1-CD2 3.95Å |
| 1928 | G | 72.8 | Confident | 68.8 | Low | 28 Ų | 28 | 50.3 Ų | 50.3 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 26.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | R1924 E1925 S1930 Q1935 | R1924-G1928 PolarHBondContact O-N 2.89Å; R1924-G1928 VanDerWaalsContact O-N 3.15Å; E1925-G1928 PolarHBondContact O-N 3.33Å; E1925-G1928 VanDerWaalsContact O-N 3.08Å; G1928-S1930 PolarHBondContact O-N 2.93Å; G1928-Q1935 CarbonylContact O-C 3.27Å; G1928-Q1935 VanDerWaalsContact O-C 3.27Å |
| 1929 | W | 71.9 | Confident | 69.1 | Low | 61 Ų | 61 | 50 Ų | 50 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | trans | -80.9 | 95.5 | -178.2 | -172 | -92 | 0 | 0 | 0 | 110.4 | R1924 L1927 G1936 V1939 L1967 L1970 | R1924-W1929 HydrophobicContact CB-CB 4.16Å; R1924-W1929 HydrophobicContact CG-CB 4.39Å; R1924-W1929 HydrophobicContact CG-CG 4.49Å; R1924-W1929 PolarHBondContact O-N 3.5Å; L1927-W1929 PolarHBondContact O-N 3.29Å; W1929-G1936 VanDerWaalsContact CZ3-O 3.25Å; W1929-G1936 WeakPolarHBondContact CZ3-O 3.09Å; W1929-V1939 HydrophobicContact CE3-CB 4.42Å; W1929-V1939 HydrophobicContact CZ3-CB 4.11Å; W1929-V1939 HydrophobicContact CZ3-CG1 4.46Å; W1929-L1967 HydrophobicContact CH2-CD2 3.68Å; W1929-L1967 HydrophobicContact CZ2-CD2 4.49Å; W1929-L1967 HydrophobicContact CZ3-CD2 4.07Å; W1929-L1970 HydrophobicContact CB-CD2 4.16Å; W1929-L1970 HydrophobicContact CD2-CB 4.33Å; W1929-L1970 HydrophobicContact CD2-CD1 3.96Å; W1929-L1970 HydrophobicContact CE3-CD1 3.88Å; W1929-L1970 HydrophobicContact CG-CB 4.43Å; W1929-L1970 HydrophobicContact CG-CD1 4.35Å; W1929-L1970 HydrophobicContact CG-CD2 4.16Å; W1929-L1970 HydrophobicContact CZ3-CD1 4.28Å | ||
| 1930 | S | 64.2 | Low | 69.4 | Low | 53 Ų | 53 | 57.5 Ų | 57.5 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | trans | -95.5 | 122.8 | 164.4 | 68 | 0 | 0 | 0 | 0 | 107.5 | G1928 G1932 Q1935 | G1928-S1930 PolarHBondContact O-N 2.93Å; S1930-G1932 PolarHBondContact O-N 3.31Å; S1930-G1932 PolarHBondContact OG-O 3.46Å; S1930-Q1935 PolarHBondContact N-O 2.6Å; S1930-Q1935 PolarHBondContact OG-O 3.35Å | ||
| 1931 | G | 55.8 | Low | 70 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 88% | 0.876 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -58.6 | -1.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1932 | G | 51.6 | Low | 70.5 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -142.5 | 121.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1930 | S1930-G1932 PolarHBondContact O-N 3.31Å; S1930-G1932 PolarHBondContact OG-O 3.46Å |
| 1933 | G | 54.9 | Low | 70.9 | Confident | 62 Ų | 62 | 54 Ų | 54 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 123.2 | -176.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1935 | G1933-Q1935 PolarHBondContact O-N 2.93Š|
| 1934 | D | 52.9 | Low | 71.3 | Confident | 113 Ų | 113 | 56 Ų | 56 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -70.1 | -10.3 | 178.6 | -81.8 | 9 | 0 | 0 | 0 | 113.2 | G1936 K1937 | D1934-G1936 PolarHBondContact O-N 3.44Å; D1934-K1937 HydrophobicContact CB-CD 4.04Å; D1934-K1937 WeakPolarHBondContact O-CB 3.5Å; D1934-K1937 WeakPolarHBondContact O-CG 3.42Å; D1934-K1937 PolarHBondContact O-N 2.95Å; D1934-K1937 WeakPolarHBondContact OD1-CE 2.95Å; D1934-K1937 IonicContact OD1-NZ 2.62Å; D1934-K1937 PolarHBondContact OD1-NZ 2.97Å; D1934-K1937 IonicContact OD2-NZ 2.79Å; D1934-K1937 PolarHBondContact OD2-NZ 2.95Å |
| 1935 | Q | 52.9 | Low | 71.6 | Confident | 140 Ų | 140 | 57.6 Ų | 57.6 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 96.2 | 178.5 | -57.4 | -154.2 | -0.8 | 0 | 0 | 110.2 | G1928 S1930 G1933 | G1928-Q1935 CarbonylContact O-C 3.27Å; G1928-Q1935 VanDerWaalsContact O-C 3.27Å; S1930-Q1935 PolarHBondContact N-O 2.6Å; S1930-Q1935 PolarHBondContact OG-O 3.35Å; G1933-Q1935 PolarHBondContact O-N 2.93Å |
| 1936 | G | 57.9 | Low | 72 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 138.6 | -13.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113 | W1929 D1934 P1938 | W1929-G1936 VanDerWaalsContact CZ3-O 3.25Å; W1929-G1936 WeakPolarHBondContact CZ3-O 3.09Å; D1934-G1936 PolarHBondContact O-N 3.44Å; G1936-P1938 VanDerWaalsContact C-CD 3.49Å |
| 1937 | K | 69.2 | Low | 72.3 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -48.1 | -48.4 | 174.5 | -83.4 | 178.8 | 171.6 | 176.6 | 0 | 115 | D1934 V1939 R1940 D1941 | D1934-K1937 HydrophobicContact CB-CD 4.04Å; D1934-K1937 WeakPolarHBondContact O-CB 3.5Å; D1934-K1937 WeakPolarHBondContact O-CG 3.42Å; D1934-K1937 PolarHBondContact O-N 2.95Å; D1934-K1937 WeakPolarHBondContact OD1-CE 2.95Å; D1934-K1937 IonicContact OD1-NZ 2.62Å; D1934-K1937 PolarHBondContact OD1-NZ 2.97Å; D1934-K1937 IonicContact OD2-NZ 2.79Å; D1934-K1937 PolarHBondContact OD2-NZ 2.95Å; K1937-V1939 PolarHBondContact O-N 2.81Å; K1937-R1940 PolarHBondContact O-N 2.82Å; K1937-R1940 VanDerWaalsContact O-N 3.08Å; K1937-D1941 VanDerWaalsContact O-CB 3.3Å; K1937-D1941 WeakPolarHBondContact O-CB 3.25Å; K1937-D1941 PolarHBondContact O-N 3.47Å |
| 1938 | P | 76.2 | Confident | 72.6 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 10% | 0.104 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | -171 | 15 | -27.6 | 0 | 0 | 0 | 114.7 | V1839 Q1840 G1936 R1940 L1942 | V1839-P1938 HydrophobicContact CG1-CB 4.07Å; Q1840-P1938 HydrophobicContact CB-CB 4.29Å; G1936-P1938 VanDerWaalsContact C-CD 3.49Å; P1938-R1940 VanDerWaalsContact C-N 3.35Å; P1938-L1942 WeakPolarHBondContact O-CB 3.32Å; P1938-L1942 PolarHBondContact O-N 3.43Å |
| 1939 | V | 81.7 | Confident | 73 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 178.3 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | V1839 L1927 W1929 K1937 H1943 M1963 L1966 L1967 L1970 | V1839-V1939 HydrophobicContact CG1-CG2 4.03Å; L1927-V1939 HydrophobicContact CD2-CG2 4.28Å; W1929-V1939 HydrophobicContact CE3-CB 4.42Å; W1929-V1939 HydrophobicContact CZ3-CB 4.11Å; W1929-V1939 HydrophobicContact CZ3-CG1 4.46Å; K1937-V1939 PolarHBondContact O-N 2.81Å; V1939-H1943 WeakPolarHBondContact O-CB 3.35Å; V1939-H1943 PolarHBondContact O-N 3.49Å; V1939-M1963 HydrophobicContact CB-CE 4.43Å; V1939-M1963 HydrophobicContact CG1-CE 3.74Å; V1939-M1963 WeakPolarHBondContact O-CE 3.3Å; V1939-L1966 HydrophobicContact CG1-CD2 4.09Å; V1939-L1967 HydrophobicContact CG1-CD2 3.86Å; V1939-L1967 HydrophobicContact CG1-CG 4.3Å; V1939-L1970 HydrophobicContact CG1-CD1 4.03Å |
| 1940 | R | 81.9 | Confident | 73.3 | Confident | 174 Ų | 174 | 61.3 Ų | 61.3 | 66% | 0.657 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71.8 | -41.3 | -179.9 | -172.8 | 178 | -178 | 169.7 | 1.5 | 111.9 | K1937 P1938 H1943 A1944 | K1937-R1940 PolarHBondContact O-N 2.82Å; K1937-R1940 VanDerWaalsContact O-N 3.08Å; P1938-R1940 VanDerWaalsContact C-N 3.35Å; R1940-H1943 PolarHBondContact O-N 2.91Å; R1940-A1944 WeakPolarHBondContact O-CB 3.44Å; R1940-A1944 PolarHBondContact O-N 2.81Å |
| 1941 | D | 84.6 | Confident | 73.9 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 177.7 | -66.2 | -13.3 | 0 | 0 | 0 | 109.7 | K1937 A1944 L1945 | K1937-D1941 VanDerWaalsContact O-CB 3.3Å; K1937-D1941 WeakPolarHBondContact O-CB 3.25Å; K1937-D1941 PolarHBondContact O-N 3.47Å; D1941-A1944 PolarHBondContact O-N 3.26Å; D1941-L1945 WeakPolarHBondContact O-CG 3.25Å; D1941-L1945 PolarHBondContact O-N 3.15Å |
| 1942 | L | 84.7 | Confident | 75 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 177.5 | -173.4 | 63 | 0 | 0 | 0 | 112.5 | V1839 V1842 N1843 F1846 L1857 P1938 L1945 L1946 M1963 | V1839-L1942 HydrophobicContact CG1-CD2 3.92Å; V1842-L1942 HydrophobicContact CG1-CD1 4.12Å; V1842-L1942 HydrophobicContact CG1-CD2 4.08Å; N1843-L1942 HydrophobicContact CB-CD1 4.46Å; N1843-L1942 PolarHBondContact OD1-N 3.5Å; F1846-L1942 HydrophobicContact CB-CD1 4.47Å; F1846-L1942 HydrophobicContact CD2-CD1 4.07Å; F1846-L1942 HydrophobicContact CG-CD1 4.26Å; L1857-L1942 HydrophobicContact CD1-CD2 3.86Å; L1857-L1942 HydrophobicContact CD2-CD2 3.63Å; L1857-L1942 HydrophobicContact CD2-CG 4.28Å; L1857-L1942 HydrophobicContact CG-CD2 4.44Å; P1938-L1942 WeakPolarHBondContact O-CB 3.32Å; P1938-L1942 PolarHBondContact O-N 3.43Å; L1942-L1945 PolarHBondContact O-N 2.89Å; L1942-L1946 HydrophobicContact CG-CD1 4.37Å; L1942-L1946 WeakPolarHBondContact O-CB 3.25Å; L1942-L1946 WeakPolarHBondContact O-CG 3.23Å; L1942-L1946 PolarHBondContact O-N 3.29Å; L1942-M1963 HydrophobicContact CB-CE 4.05Å; L1942-M1963 HydrophobicContact CD2-CE 3.86Å; L1942-M1963 HydrophobicContact CD2-SD 4.41Å; L1942-M1963 HydrophobicContact CG-CE 4.1Å |
| 1943 | H | 86.4 | Confident | 76.3 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 11% | 0.106 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 171.3 | 175.4 | -86.9 | 0 | 0 | 0 | 111.4 | V1939 R1940 L1945 L1946 E1947 M1963 L1967 | V1939-H1943 WeakPolarHBondContact O-CB 3.35Å; V1939-H1943 PolarHBondContact O-N 3.49Å; R1940-H1943 PolarHBondContact O-N 2.91Å; H1943-L1945 PolarHBondContact O-N 2.82Å; H1943-L1946 PolarHBondContact O-N 3.42Å; H1943-E1947 IonicContact CE1-OE2 3.35Å; H1943-E1947 PolarHBondContact CE1-OE2 3.47Å; H1943-E1947 IonicContact ND1-OE2 2.67Å; H1943-E1947 PolarHBondContact ND1-OE2 3.46Å; H1943-E1947 VanDerWaalsContact O-CB 3.3Å; H1943-E1947 WeakPolarHBondContact O-CB 3.45Å; H1943-E1947 PolarHBondContact O-N 3.41Å; H1943-M1963 HydrophobicContact CB-CB 4.31Å; H1943-L1967 HydrophobicContact CB-CD1 3.63Å |
| 1944 | A | 86.3 | Confident | 77.5 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1940 D1941 E1947 M1948 | R1940-A1944 WeakPolarHBondContact O-CB 3.44Å; R1940-A1944 PolarHBondContact O-N 2.81Å; D1941-A1944 PolarHBondContact O-N 3.26Å; A1944-E1947 PolarHBondContact O-N 2.89Å; A1944-M1948 WeakPolarHBondContact O-CG 3.5Å; A1944-M1948 PolarHBondContact O-N 3.46Å |
| 1945 | L | 83.8 | Confident | 78.8 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 29% | 0.293 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 172.7 | -74.5 | 175.7 | 0 | 0 | 0 | 111.7 | N1843 D1941 L1942 H1943 E1947 M1948 L1949 | N1843-L1945 WeakPolarHBondContact OD1-CD1 3.45Å; D1941-L1945 WeakPolarHBondContact O-CG 3.25Å; D1941-L1945 PolarHBondContact O-N 3.15Å; L1942-L1945 PolarHBondContact O-N 2.89Å; H1943-L1945 PolarHBondContact O-N 2.82Å; L1945-E1947 VanDerWaalsContact C-N 3.31Å; L1945-E1947 PolarHBondContact O-N 3.2Å; L1945-M1948 HydrophobicContact CD2-CE 3.91Å; L1945-M1948 PolarHBondContact O-N 3.2Å; L1945-L1949 WeakPolarHBondContact O-CB 3.42Å; L1945-L1949 VanDerWaalsContact O-CG 3.32Å; L1945-L1949 WeakPolarHBondContact O-CG 3.49Å; L1945-L1949 PolarHBondContact O-N 3.39Å |
| 1946 | L | 84.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -34 | 176.4 | -74.5 | 169.3 | 0 | 0 | 0 | 112.4 | F1846 L1857 L1942 H1943 L1949 A1950 L1956 L1959 R1960 M1963 | F1846-L1946 HydrophobicContact CE1-CD2 3.88Å; F1846-L1946 HydrophobicContact CE2-CD2 3.99Å; F1846-L1946 HydrophobicContact CZ-CD2 3.33Å; F1846-L1946 HydrophobicContact CZ-CG 4.36Å; L1857-L1946 HydrophobicContact CD2-CD1 4.27Å; L1942-L1946 HydrophobicContact CG-CD1 4.37Å; L1942-L1946 WeakPolarHBondContact O-CB 3.25Å; L1942-L1946 WeakPolarHBondContact O-CG 3.23Å; L1942-L1946 PolarHBondContact O-N 3.29Å; H1943-L1946 PolarHBondContact O-N 3.42Å; L1946-L1949 PolarHBondContact O-N 3.4Å; L1946-A1950 WeakPolarHBondContact O-CB 3.32Å; L1946-A1950 PolarHBondContact O-N 3.12Å; L1946-L1956 HydrophobicContact CD2-CB 4.39Å; L1946-L1956 HydrophobicContact CD2-CD1 4.44Å; L1946-L1959 HydrophobicContact CD1-CB 4.35Å; L1946-L1959 HydrophobicContact CD1-CD2 4.42Å; L1946-L1959 HydrophobicContact CD1-CG 3.99Å; L1946-L1959 HydrophobicContact CD2-CB 4.31Å; L1946-L1959 HydrophobicContact CD2-CD2 4.01Å; L1946-L1959 HydrophobicContact CD2-CG 4.28Å; L1946-R1960 HydrophobicContact CB-CB 4.39Å; L1946-M1963 HydrophobicContact CD1-CB 4.24Å; L1946-M1963 HydrophobicContact CD1-CG 3.67Å |
| 1947 | E | 85.4 | Confident | 81.3 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 175.9 | -167.8 | 161.4 | -152 | 0 | 0 | 111.2 | H1943 A1944 L1945 | H1943-E1947 IonicContact CE1-OE2 3.35Å; H1943-E1947 PolarHBondContact CE1-OE2 3.47Å; H1943-E1947 IonicContact ND1-OE2 2.67Å; H1943-E1947 PolarHBondContact ND1-OE2 3.46Å; H1943-E1947 VanDerWaalsContact O-CB 3.3Å; H1943-E1947 WeakPolarHBondContact O-CB 3.45Å; H1943-E1947 PolarHBondContact O-N 3.41Å; A1944-E1947 PolarHBondContact O-N 2.89Å; L1945-E1947 VanDerWaalsContact C-N 3.31Å; L1945-E1947 PolarHBondContact O-N 3.2Å |
| 1948 | M | 84.8 | Confident | 82 | Confident | 127 Ų | 127 | 64 Ų | 64 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.9 | -37.4 | 172 | -69.9 | -168.5 | -55.1 | 0 | 0 | 113.3 | A1944 L1945 | A1944-M1948 WeakPolarHBondContact O-CG 3.5Å; A1944-M1948 PolarHBondContact O-N 3.46Å; L1945-M1948 HydrophobicContact CD2-CE 3.91Å; L1945-M1948 PolarHBondContact O-N 3.2Å |
| 1949 | L | 80.3 | Confident | 82.4 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -87 | -31.3 | -174.6 | -70.6 | 171.2 | 0 | 0 | 0 | 113.9 | F1846 L1945 L1946 D1951 D1952 E1953 L1956 | F1846-L1949 HydrophobicContact CD1-CD1 3.68Å; F1846-L1949 HydrophobicContact CE1-CD1 3.52Å; L1945-L1949 WeakPolarHBondContact O-CB 3.42Å; L1945-L1949 VanDerWaalsContact O-CG 3.32Å; L1945-L1949 WeakPolarHBondContact O-CG 3.49Å; L1945-L1949 PolarHBondContact O-N 3.39Å; L1946-L1949 PolarHBondContact O-N 3.4Å; L1949-D1951 PolarHBondContact O-N 2.89Å; L1949-D1952 PolarHBondContact O-N 3.3Å; L1949-D1952 VanDerWaalsContact O-N 3.11Å; L1949-E1953 PolarHBondContact O-N 3.01Å; L1949-L1956 HydrophobicContact CB-CD1 4.04Å |
| 1950 | A | 79.7 | Confident | 82.6 | Confident | 9 Ų | 9 | 65.9 Ų | 65.9 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.3 | -19.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1946 D1952 E1953 L1956 R1960 | L1946-A1950 WeakPolarHBondContact O-CB 3.32Å; L1946-A1950 PolarHBondContact O-N 3.12Å; A1950-D1952 VanDerWaalsContact C-N 3.29Å; A1950-E1953 WeakPolarHBondContact CA-O 3.39Å; A1950-E1953 CarbonylContact O-C 3.55Å; A1950-L1956 HydrophobicContact CB-CB 4.22Å; A1950-R1960 HydrophobicContact CB-CB 4.19Å |
| 1951 | D | 76.9 | Confident | 82.7 | Confident | 121 Ų | 121 | 59 Ų | 59 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -29.1 | 171.8 | -72.9 | -9.1 | 0 | 0 | 0 | 111.3 | L1949 R1960 | L1949-D1951 PolarHBondContact O-N 2.89Å; D1951-R1960 IonicContact OD1-NH1 2.94Å; D1951-R1960 PolarHBondContact OD1-NH1 3.34Å |
| 1952 | D | 78.3 | Confident | 82.6 | Confident | 135 Ų | 135 | 55.9 Ų | 55.9 | 72% | 0.722 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -34.8 | 175.4 | -68.6 | -32.8 | 0 | 0 | 0 | 112.4 | L1949 A1950 | L1949-D1952 PolarHBondContact O-N 3.3Å; L1949-D1952 VanDerWaalsContact O-N 3.11Å; A1950-D1952 VanDerWaalsContact C-N 3.29Å |
| 1953 | E | 79.7 | Confident | 82.7 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | trans | -123.2 | 99 | -177.1 | -87.9 | -66 | 160.2 | 0 | 0 | 112 | A1848 L1949 A1950 S1955 L1956 | A1848-E1953 HydrophobicContact CB-CG 4.46Å; L1949-E1953 PolarHBondContact O-N 3.01Å; A1950-E1953 WeakPolarHBondContact CA-O 3.39Å; A1950-E1953 CarbonylContact O-C 3.55Å; E1953-S1955 PolarHBondContact O-N 3.19Å; E1953-S1955 VanDerWaalsContact O-N 3.08Å; E1953-S1955 PolarHBondContact OE2-OG 2.96Å; E1953-L1956 HydrophobicContact CB-CD1 4.21Å; E1953-L1956 HydrophobicContact CB-CG 4.36Å; E1953-L1956 PolarHBondContact O-N 3.35Å; E1953-L1956 VanDerWaalsContact O-N 3.07Å | ||
| 1954 | P | 79.6 | Confident | 82.6 | Confident | 95 Ų | 95 | 61 Ų | 61 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -65.1 | -18.3 | -176.8 | 27 | -34.5 | 0 | 0 | 0 | 112.8 | L1956 E1957 | P1954-L1956 PolarHBondContact O-N 3.05Å; P1954-E1957 WeakPolarHBondContact O-CB 3.5Å; P1954-E1957 PolarHBondContact O-N 2.71Å |
| 1955 | S | 78.9 | Confident | 82.5 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 42% | 0.42 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.8 | 174 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | E1953 Y1958 | E1953-S1955 PolarHBondContact O-N 3.19Å; E1953-S1955 VanDerWaalsContact O-N 3.08Å; E1953-S1955 PolarHBondContact OE2-OG 2.96Å; S1955-Y1958 WeakPolarHBondContact O-CD1 3.43Å; S1955-Y1958 WeakPolarHBondContact O-CE1 3.31Å |
| 1956 | L | 82.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -87.3 | -1.9 | -178.4 | -63.3 | 177.1 | 0 | 0 | 0 | 114.1 | F1846 A1848 Q1854 L1946 L1949 A1950 E1953 P1954 Y1958 L1959 R1960 | F1846-L1956 HydrophobicContact CE1-CD1 4.21Å; F1846-L1956 HydrophobicContact CZ-CD1 4.17Å; F1846-L1956 HydrophobicContact CZ-CD2 4.12Å; A1848-L1956 HydrophobicContact CB-CD1 4.49Å; Q1854-L1956 HydrophobicContact CG-CD2 4.03Å; L1946-L1956 HydrophobicContact CD2-CB 4.39Å; L1946-L1956 HydrophobicContact CD2-CD1 4.44Å; L1949-L1956 HydrophobicContact CB-CD1 4.04Å; A1950-L1956 HydrophobicContact CB-CB 4.22Å; E1953-L1956 HydrophobicContact CB-CD1 4.21Å; E1953-L1956 HydrophobicContact CB-CG 4.36Å; E1953-L1956 PolarHBondContact O-N 3.35Å; E1953-L1956 VanDerWaalsContact O-N 3.07Å; P1954-L1956 PolarHBondContact O-N 3.05Å; L1956-Y1958 VanDerWaalsContact C-N 3.29Å; L1956-Y1958 PolarHBondContact O-N 2.7Å; L1956-L1959 WeakPolarHBondContact O-CB 3.39Å; L1956-L1959 PolarHBondContact O-N 3.08Å; L1956-R1960 PolarHBondContact O-N 2.76Å |
| 1957 | E | 82.4 | Confident | 82.3 | Confident | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -33.4 | -173.3 | -177.5 | 163.7 | -146.2 | 0 | 0 | 113.4 | P1954 L1959 R1960 S1961 | P1954-E1957 WeakPolarHBondContact O-CB 3.5Å; P1954-E1957 PolarHBondContact O-N 2.71Å; E1957-L1959 VanDerWaalsContact C-N 3.27Å; E1957-L1959 PolarHBondContact O-N 3.39Å; E1957-R1960 PolarHBondContact O-N 2.84Å; E1957-R1960 IonicContact OE1-CZ 3.51Å; E1957-R1960 IonicContact OE1-NH2 3.89Å; E1957-R1960 PolarHBondContact OE1-NH2 2.8Å; E1957-S1961 WeakPolarHBondContact O-CB 3.48Å; E1957-S1961 PolarHBondContact O-N 2.98Å; E1957-S1961 PolarHBondContact O-OG 2.83Å |
| 1958 | Y | 83.9 | Confident | 82 | Confident | 79 Ų | 79 | 57 Ų | 57 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 175.2 | 73.4 | -92.5 | 0 | 0 | 0 | 111.3 | S1955 L1956 S1962 | S1955-Y1958 WeakPolarHBondContact O-CD1 3.43Å; S1955-Y1958 WeakPolarHBondContact O-CE1 3.31Å; L1956-Y1958 VanDerWaalsContact C-N 3.29Å; L1956-Y1958 PolarHBondContact O-N 2.7Å; Y1958-S1962 WeakPolarHBondContact O-CB 3.16Å; Y1958-S1962 PolarHBondContact O-N 3.35Å; Y1958-S1962 PolarHBondContact O-OG 3.26Å |
| 1959 | L | 84.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -75.7 | -40.8 | -178.2 | -155.1 | 59.4 | 0 | 0 | 0 | 110.5 | F1846 Q1854 L1857 L1861 L1946 L1956 E1957 S1961 S1962 M1963 | F1846-L1959 HydrophobicContact CE2-CD2 4.2Å; F1846-L1959 HydrophobicContact CZ-CD2 4.48Å; Q1854-L1959 HydrophobicContact CB-CD2 4.46Å; L1857-L1959 HydrophobicContact CB-CD1 4.15Å; L1857-L1959 HydrophobicContact CB-CD2 4.48Å; L1857-L1959 HydrophobicContact CD2-CD1 3.74Å; L1857-L1959 HydrophobicContact CD2-CD2 3.72Å; L1857-L1959 HydrophobicContact CD2-CG 3.66Å; L1857-L1959 HydrophobicContact CG-CD1 3.79Å; L1857-L1959 HydrophobicContact CG-CD2 4.46Å; L1857-L1959 HydrophobicContact CG-CG 4.3Å; L1861-L1959 HydrophobicContact CD1-CD1 3.93Å; L1946-L1959 HydrophobicContact CD1-CB 4.35Å; L1946-L1959 HydrophobicContact CD1-CD2 4.42Å; L1946-L1959 HydrophobicContact CD1-CG 3.99Å; L1946-L1959 HydrophobicContact CD2-CB 4.31Å; L1946-L1959 HydrophobicContact CD2-CD2 4.01Å; L1946-L1959 HydrophobicContact CD2-CG 4.28Å; L1956-L1959 WeakPolarHBondContact O-CB 3.39Å; L1956-L1959 PolarHBondContact O-N 3.08Å; E1957-L1959 VanDerWaalsContact C-N 3.27Å; E1957-L1959 PolarHBondContact O-N 3.39Å; L1959-S1961 VanDerWaalsContact C-N 3.34Å; L1959-S1961 PolarHBondContact O-N 3.03Å; L1959-S1962 VanDerWaalsContact C-OG 3.26Å; L1959-S1962 VanDerWaalsContact CA-OG 3.24Å; L1959-S1962 WeakPolarHBondContact CA-OG 3.38Å; L1959-S1962 PolarHBondContact O-N 3.09Å; L1959-S1962 PolarHBondContact O-OG 3.27Å; L1959-M1963 WeakPolarHBondContact O-CG 3.42Å; L1959-M1963 PolarHBondContact O-N 2.9Å |
| 1960 | R | 84.9 | Confident | 81.3 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 21% | 0.211 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.7 | -50.6 | 169.5 | -178.8 | -177.9 | 70.1 | 172.3 | -0 | 111.3 | L1946 A1950 D1951 L1956 E1957 S1962 M1963 K1964 | L1946-R1960 HydrophobicContact CB-CB 4.39Å; A1950-R1960 HydrophobicContact CB-CB 4.19Å; D1951-R1960 IonicContact OD1-NH1 2.94Å; D1951-R1960 PolarHBondContact OD1-NH1 3.34Å; L1956-R1960 PolarHBondContact O-N 2.76Å; E1957-R1960 PolarHBondContact O-N 2.84Å; E1957-R1960 IonicContact OE1-CZ 3.51Å; E1957-R1960 IonicContact OE1-NH2 3.89Å; E1957-R1960 PolarHBondContact OE1-NH2 2.8Å; R1960-S1962 PolarHBondContact O-N 3.01Å; R1960-M1963 PolarHBondContact O-N 3.04Å; R1960-K1964 WeakPolarHBondContact O-CB 3.36Å; R1960-K1964 PolarHBondContact O-N 3.23Å |
| 1961 | S | 84.1 | Confident | 81 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | -179.2 | -57.7 | 0 | 0 | 0 | 0 | 112 | E1957 L1959 K1964 N1965 | E1957-S1961 WeakPolarHBondContact O-CB 3.48Å; E1957-S1961 PolarHBondContact O-N 2.98Å; E1957-S1961 PolarHBondContact O-OG 2.83Å; L1959-S1961 VanDerWaalsContact C-N 3.34Å; L1959-S1961 PolarHBondContact O-N 3.03Å; S1961-K1964 WeakPolarHBondContact O-CB 3.16Å; S1961-K1964 PolarHBondContact O-N 2.62Å; S1961-N1965 WeakPolarHBondContact O-CB 3.4Å; S1961-N1965 VanDerWaalsContact O-CG 3.22Å; S1961-N1965 PolarHBondContact O-N 3.24Å; S1961-N1965 PolarHBondContact O-OD1 2.91Å |
| 1962 | S | 83.2 | Confident | 80.2 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.9 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | L1861 L1876 Y1958 L1959 R1960 K1964 N1965 L1966 | L1861-S1962 WeakPolarHBondContact CD1-OG 3.32Å; L1876-S1962 WeakPolarHBondContact O-CB 3.3Å; Y1958-S1962 WeakPolarHBondContact O-CB 3.16Å; Y1958-S1962 PolarHBondContact O-N 3.35Å; Y1958-S1962 PolarHBondContact O-OG 3.26Å; L1959-S1962 VanDerWaalsContact C-OG 3.26Å; L1959-S1962 VanDerWaalsContact CA-OG 3.24Å; L1959-S1962 WeakPolarHBondContact CA-OG 3.38Å; L1959-S1962 PolarHBondContact O-N 3.09Å; L1959-S1962 PolarHBondContact O-OG 3.27Å; R1960-S1962 PolarHBondContact O-N 3.01Å; S1962-K1964 VanDerWaalsContact C-N 3.31Å; S1962-K1964 PolarHBondContact O-N 3.44Å; S1962-N1965 PolarHBondContact O-N 3.09Å; S1962-L1966 PolarHBondContact O-N 3.31Å |
| 1963 | M | 86.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69 | -32.8 | 179.2 | -73.6 | -64.8 | -66.8 | 0 | 0 | 111.5 | L1857 L1861 V1939 L1942 H1943 L1946 L1959 R1960 L1966 L1967 | L1857-M1963 HydrophobicContact CD1-SD 4.26Å; L1857-M1963 HydrophobicContact CD2-CG 4.43Å; L1857-M1963 HydrophobicContact CD2-SD 4.45Å; L1861-M1963 HydrophobicContact CD1-SD 4.45Å; L1861-M1963 HydrophobicContact CD2-SD 4.18Å; V1939-M1963 HydrophobicContact CB-CE 4.43Å; V1939-M1963 HydrophobicContact CG1-CE 3.74Å; V1939-M1963 WeakPolarHBondContact O-CE 3.3Å; L1942-M1963 HydrophobicContact CB-CE 4.05Å; L1942-M1963 HydrophobicContact CD2-CE 3.86Å; L1942-M1963 HydrophobicContact CD2-SD 4.41Å; L1942-M1963 HydrophobicContact CG-CE 4.1Å; H1943-M1963 HydrophobicContact CB-CB 4.31Å; L1946-M1963 HydrophobicContact CD1-CB 4.24Å; L1946-M1963 HydrophobicContact CD1-CG 3.67Å; L1959-M1963 WeakPolarHBondContact O-CG 3.42Å; L1959-M1963 PolarHBondContact O-N 2.9Å; R1960-M1963 PolarHBondContact O-N 3.04Å; M1963-L1966 PolarHBondContact O-N 2.92Å; M1963-L1966 HydrophobicContact SD-CD2 4.13Å; M1963-L1967 WeakPolarHBondContact O-CG 3.46Å; M1963-L1967 PolarHBondContact O-N 3Å |
| 1964 | K | 84.9 | Confident | 78.3 | Confident | 130 Ų | 130 | 54.3 Ų | 54.3 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 171.5 | -173.3 | 175.9 | -179.8 | 174.5 | 0 | 111.7 | R1960 S1961 S1962 L1966 L1967 S1968 | R1960-K1964 WeakPolarHBondContact O-CB 3.36Å; R1960-K1964 PolarHBondContact O-N 3.23Å; S1961-K1964 WeakPolarHBondContact O-CB 3.16Å; S1961-K1964 PolarHBondContact O-N 2.62Å; S1962-K1964 VanDerWaalsContact C-N 3.31Å; S1962-K1964 PolarHBondContact O-N 3.44Å; K1964-L1966 VanDerWaalsContact C-N 3.32Å; K1964-L1967 PolarHBondContact O-N 3.16Å; K1964-S1968 PolarHBondContact O-N 3.46Å |
| 1965 | N | 84.2 | Confident | 77.2 | Confident | 36 Ų | 36 | 53 Ų | 53 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.3 | -32.4 | 175.2 | -68.5 | -11.1 | 0 | 0 | 0 | 112.1 | L1874 P1875 L1876 S1961 S1962 S1968 L1969 | L1874-N1965 HydrophobicContact CB-CB 4.26Å; L1874-N1965 HydrophobicContact CD2-CB 3.93Å; L1874-N1965 VanDerWaalsContact CD2-CG 3.43Å; L1874-N1965 WeakPolarHBondContact CD2-OD1 3.38Å; P1875-N1965 PolarHBondContact O-ND2 3.47Å; L1876-N1965 VanDerWaalsContact CD2-C 3.45Å; L1876-N1965 HydrophobicContact CD2-CB 3.89Å; S1961-N1965 WeakPolarHBondContact O-CB 3.4Å; S1961-N1965 VanDerWaalsContact O-CG 3.22Å; S1961-N1965 PolarHBondContact O-N 3.24Å; S1961-N1965 PolarHBondContact O-OD1 2.91Å; S1962-N1965 PolarHBondContact O-N 3.09Å; N1965-S1968 WeakPolarHBondContact CA-OG 3.3Å; N1965-S1968 PolarHBondContact O-N 2.87Å; N1965-S1968 PolarHBondContact O-OG 3.29Å; N1965-L1969 WeakPolarHBondContact O-CB 3.11Å; N1965-L1969 PolarHBondContact O-N 3.29Å |
| 1966 | L | 83.9 | Confident | 76.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -44.6 | 172.8 | -174 | 64.2 | 0 | 0 | 0 | 110.8 | L1861 I1864 L1876 L1927 V1939 S1962 M1963 K1964 S1968 L1969 L1970 | L1861-L1966 HydrophobicContact CD2-CB 4.49Å; L1861-L1966 HydrophobicContact CD2-CD2 3.93Å; I1864-L1966 HydrophobicContact CG2-CD1 4.45Å; L1876-L1966 HydrophobicContact CD1-CD1 3.97Å; L1876-L1966 VanDerWaalsContact CD2-CA 3.46Å; L1876-L1966 HydrophobicContact CD2-CB 3.88Å; L1876-L1966 HydrophobicContact CD2-CD1 4.16Å; L1876-L1966 VanDerWaalsContact CD2-N 3.28Å; L1927-L1966 HydrophobicContact CD1-CD1 4.11Å; L1927-L1966 HydrophobicContact CD1-CD2 4.17Å; L1927-L1966 HydrophobicContact CD1-CG 4.44Å; V1939-L1966 HydrophobicContact CG1-CD2 4.09Å; S1962-L1966 PolarHBondContact O-N 3.31Å; M1963-L1966 PolarHBondContact O-N 2.92Å; M1963-L1966 HydrophobicContact SD-CD2 4.13Å; K1964-L1966 VanDerWaalsContact C-N 3.32Å; L1966-S1968 VanDerWaalsContact C-N 3.29Å; L1966-S1968 PolarHBondContact O-N 3.18Å; L1966-L1969 PolarHBondContact O-N 3.05Å; L1966-L1970 HydrophobicContact CG-CD1 4.15Å; L1966-L1970 HydrophobicContact CG-CG 4.49Å; L1966-L1970 WeakPolarHBondContact O-CB 3.39Å; L1966-L1970 VanDerWaalsContact O-CG 3.25Å; L1966-L1970 WeakPolarHBondContact O-CG 3.4Å; L1966-L1970 PolarHBondContact O-N 2.82Å |
| 1967 | L | 79.7 | Confident | 75 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -37 | 175.7 | -76.8 | 174.2 | 0 | 0 | 0 | 112.3 | W1929 V1939 H1943 M1963 K1964 L1970 S1971 | W1929-L1967 HydrophobicContact CH2-CD2 3.68Å; W1929-L1967 HydrophobicContact CZ2-CD2 4.49Å; W1929-L1967 HydrophobicContact CZ3-CD2 4.07Å; V1939-L1967 HydrophobicContact CG1-CD2 3.86Å; V1939-L1967 HydrophobicContact CG1-CG 4.3Å; H1943-L1967 HydrophobicContact CB-CD1 3.63Å; M1963-L1967 WeakPolarHBondContact O-CG 3.46Å; M1963-L1967 PolarHBondContact O-N 3Å; K1964-L1967 PolarHBondContact O-N 3.16Å; L1967-L1970 PolarHBondContact O-N 3.05Å; L1967-S1971 PolarHBondContact O-N 3.36Å |
| 1968 | S | 78.3 | Confident | 73.7 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 173.8 | 66.5 | 0 | 0 | 0 | 0 | 112 | K1964 N1965 L1966 L1970 S1971 Y1974 | K1964-S1968 PolarHBondContact O-N 3.46Å; N1965-S1968 WeakPolarHBondContact CA-OG 3.3Å; N1965-S1968 PolarHBondContact O-N 2.87Å; N1965-S1968 PolarHBondContact O-OG 3.29Å; L1966-S1968 VanDerWaalsContact C-N 3.29Å; L1966-S1968 PolarHBondContact O-N 3.18Å; S1968-L1970 VanDerWaalsContact C-N 3.32Å; S1968-L1970 PolarHBondContact O-N 2.8Å; S1968-S1971 WeakPolarHBondContact O-CB 3.3Å; S1968-S1971 PolarHBondContact O-N 2.78Å; S1968-S1971 PolarHBondContact O-OG 2.63Å; S1968-Y1974 WeakPolarHBondContact O-CD2 3.16Å |
| 1969 | L | 76.1 | Confident | 71.7 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -30.9 | 175.1 | -170.9 | 134.2 | 0 | 0 | 0 | 113.3 | L1868 V1923 N1965 L1966 S1971 | L1868-L1969 HydrophobicContact CD1-CD1 3.79Å; L1868-L1969 HydrophobicContact CD1-CD2 4.01Å; L1868-L1969 HydrophobicContact CD2-CD1 4.15Å; L1868-L1969 HydrophobicContact CD2-CD2 4.34Å; V1923-L1969 HydrophobicContact CB-CD2 4.25Å; V1923-L1969 HydrophobicContact CG1-CD2 3.85Å; V1923-L1969 HydrophobicContact CG2-CD2 4.4Å; N1965-L1969 WeakPolarHBondContact O-CB 3.11Å; N1965-L1969 PolarHBondContact O-N 3.29Å; L1966-L1969 PolarHBondContact O-N 3.05Å; L1969-S1971 VanDerWaalsContact C-N 3.27Å |
| 1970 | L | 74 | Confident | 69.9 | Low | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.2 | -16.3 | 175 | -70 | 170.9 | 0 | 0 | 0 | 113.2 | V1923 R1924 L1927 W1929 V1939 L1966 L1967 S1968 | V1923-L1970 HydrophobicContact CG1-CD2 4.18Å; R1924-L1970 HydrophobicContact CB-CD2 4.41Å; R1924-L1970 HydrophobicContact CG-CD2 3.69Å; L1927-L1970 HydrophobicContact CD1-CD1 4.23Å; L1927-L1970 HydrophobicContact CD1-CD2 3.95Å; W1929-L1970 HydrophobicContact CB-CD2 4.16Å; W1929-L1970 HydrophobicContact CD2-CB 4.33Å; W1929-L1970 HydrophobicContact CD2-CD1 3.96Å; W1929-L1970 HydrophobicContact CE3-CD1 3.88Å; W1929-L1970 HydrophobicContact CG-CB 4.43Å; W1929-L1970 HydrophobicContact CG-CD1 4.35Å; W1929-L1970 HydrophobicContact CG-CD2 4.16Å; W1929-L1970 HydrophobicContact CZ3-CD1 4.28Å; V1939-L1970 HydrophobicContact CG1-CD1 4.03Å; L1966-L1970 HydrophobicContact CG-CD1 4.15Å; L1966-L1970 HydrophobicContact CG-CG 4.49Å; L1966-L1970 WeakPolarHBondContact O-CB 3.39Å; L1966-L1970 VanDerWaalsContact O-CG 3.25Å; L1966-L1970 WeakPolarHBondContact O-CG 3.4Å; L1966-L1970 PolarHBondContact O-N 2.82Å; L1967-L1970 PolarHBondContact O-N 3.05Å; S1968-L1970 VanDerWaalsContact C-N 3.32Å; S1968-L1970 PolarHBondContact O-N 2.8Å |
| 1971 | S | 73.5 | Confident | 67.7 | Low | 40 Ų | 40 | 71.9 Ų | 71.9 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -69.6 | 145 | 169 | 82 | 0 | 0 | 0 | 0 | 109.9 | L1967 S1968 L1969 E1973 Y1974 | L1967-S1971 PolarHBondContact O-N 3.36Å; S1968-S1971 WeakPolarHBondContact O-CB 3.3Å; S1968-S1971 PolarHBondContact O-N 2.78Å; S1968-S1971 PolarHBondContact O-OG 2.63Å; L1969-S1971 VanDerWaalsContact C-N 3.27Å; S1971-E1973 PolarHBondContact O-N 3.41Å; S1971-Y1974 PolarHBondContact O-N 2.98Å |
| 1972 | H | 61.2 | Low | 64.8 | Low | 150 Ų | 150 | 76.9 Ų | 76.9 | 69% | 0.694 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -61.4 | -5.4 | 178.6 | -73.6 | -24.8 | 0 | 0 | 0 | 114.1 | R1924 Y1974 | R1924-H1972 PolarHBondContact NH1-ND1 2.61Å; H1972-Y1974 VanDerWaalsContact C-N 3.34Å |
| 1973 | E | 59.1 | Low | 62.2 | Low | 165 Ų | 165 | 81.8 Ų | 81.8 | 77% | 0.771 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -73.8 | -22 | -178.3 | -62.7 | -175.1 | 170 | 0 | 0 | 113.4 | S1971 | S1971-E1973 PolarHBondContact O-N 3.41Š|
| 1974 | Y | 57.8 | Low | 59.2 | Low | 118 Ų | 118 | 88.4 Ų | 88.4 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -119.5 | 30.8 | -172.2 | -69.8 | -86.7 | 0 | 0 | 0 | 114.1 | L1874 S1968 S1971 H1972 I1976 | L1874-Y1974 HydrophobicContact CD1-CD1 3.98Å; L1874-Y1974 HydrophobicContact CD1-CE1 3.62Å; L1874-Y1974 HydrophobicContact CD1-CE2 4.28Å; L1874-Y1974 HydrophobicContact CD1-CG 4.44Å; S1968-Y1974 WeakPolarHBondContact O-CD2 3.16Å; S1971-Y1974 PolarHBondContact O-N 2.98Å; H1972-Y1974 VanDerWaalsContact C-N 3.34Å; Y1974-I1976 PolarHBondContact O-N 3.35Å |
| 1975 | D | 56.9 | Low | 56.2 | Low | 68 Ų | 68 | 87.1 Ų | 87.1 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 118.1 | 177.8 | -91.3 | -29.4 | 0 | 0 | 0 | 112.8 | G1920 E1921 R1924 | G1920-D1975 VanDerWaalsContact CA-OD1 3.27Å; G1920-D1975 WeakPolarHBondContact CA-OD1 3.39Å; E1921-D1975 PolarHBondContact N-OD1 3.24Å; R1924-D1975 IonicContact CZ-OD1 3.16Å; R1924-D1975 VanDerWaalsContact CZ-OD1 3.32Å; R1924-D1975 IonicContact CZ-OD2 3.35Å; R1924-D1975 IonicContact NH1-OD1 2.75Å; R1924-D1975 PolarHBondContact NH1-OD1 3.2Å; R1924-D1975 IonicContact NH1-OD2 3.09Å; R1924-D1975 PolarHBondContact NH1-OD2 3.47Å; R1924-D1975 VanDerWaalsContact NH1-OD2 3.09Å; R1924-D1975 VanDerWaalsContact NH2-CG 3.34Å; R1924-D1975 IonicContact NH2-OD1 2.71Å; R1924-D1975 PolarHBondContact NH2-OD1 3.23Å; R1924-D1975 VanDerWaalsContact NH2-OD1 3.16Å; R1924-D1975 IonicContact NH2-OD2 2.72Å; R1924-D1975 PolarHBondContact NH2-OD2 2.85Å |
| 1976 | I | 57.8 | Low | 53.2 | Low | 40 Ų | 40 | 92 Ų | 92 | 21% | 0.205 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 125.3 | 171.3 | -50.1 | 168.9 | 0 | 0 | 0 | 108.3 | L1868 T1873 H1917 S1919 Y1974 | L1868-I1976 HydrophobicContact CD2-CD1 4.09Å; T1873-I1976 HydrophobicContact CG2-CD1 3.26Å; T1873-I1976 HydrophobicContact CG2-CG1 4.4Å; H1917-I1976 WeakPolarHBondContact NE2-CG2 3.18Å; S1919-I1976 VanDerWaalsContact CA-O 3.27Å; S1919-I1976 WeakPolarHBondContact CA-O 3.49Å; S1919-I1976 WeakPolarHBondContact CB-O 3.43Å; Y1974-I1976 PolarHBondContact O-N 3.35Å |
| 1977 | P | 58.2 | Low | 50.3 | Low | 107 Ų | 107 | 96.4 Ų | 96.4 | 70% | 0.695 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 137 | 173.9 | 25.6 | -30.7 | 0 | 0 | 0 | 111 | H1917 L1979 | H1917-P1977 PolarHBondContact NE2-O 3.03Å; P1977-L1979 PolarHBondContact O-N 3.47Å |
| 1978 | E | 53.7 | Low | 47.6 | Very low | 85 Ų | 85 | 105.8 Ų | 105.8 | 40% | 0.397 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 124.9 | 176.3 | -168.6 | 176.8 | -165.4 | 0 | 0 | 110.5 | K1819 K1980 | K1819-E1978 IonicContact NZ-OE1 3.22Å; K1819-E1978 PolarHBondContact NZ-OE1 3.16Å; E1978-K1980 PolarHBondContact O-N 3.22Å |
| 1979 | L | 42.6 | Very low | 44.7 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 56% | 0.555 | 59% | 0.591 | S | S | * | * | trans | -73.2 | 107 | 168.1 | -91.8 | 167.1 | 0 | 0 | 0 | 108.5 | P1977 E1981 | P1977-L1979 PolarHBondContact O-N 3.47Å; L1979-E1981 PolarHBondContact O-N 3.5Å | ||
| 1980 | K | 46.9 | Very low | 42.2 | Very low | 182 Ų | 182 | 118.5 Ų | 118.5 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | trans | -70.2 | 122.5 | 173.7 | -71.2 | -177.4 | 177 | -179.7 | 0 | 109.6 | E1978 | E1978-K1980 PolarHBondContact O-N 3.22Š| ||
| 1981 | E | 38.2 | Very low | 39.7 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 78% | 0.78 | 67% | 0.666 | S | S | * | * | trans | 20.8 | 105.1 | 161.1 | -68.3 | 177.8 | 165.4 | 0 | 0 | 115.1 | L1979 T1983 | L1979-E1981 PolarHBondContact O-N 3.5Å; E1981-T1983 PolarHBondContact O-N 2.95Å | ||
| 1982 | L | 25 | Very low | 37.3 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | trans | -65 | 85.9 | 167.7 | -150.9 | 90.6 | 0 | 0 | 0 | 108.8 | T1984 | L1982-T1984 PolarHBondContact O-N 3.35Š| ||
| 1983 | T | 27.2 | Very low | 35.4 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | trans | -57.5 | 121.1 | 160.8 | 51.8 | 0 | 0 | 0 | 0 | 107 | E1981 S1985 | E1981-T1983 PolarHBondContact O-N 2.95Å; T1983-S1985 PolarHBondContact O-N 2.88Å | ||
| 1984 | T | 25 | Very low | 33.7 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | trans | -42 | 97.1 | 175.3 | 49 | 0 | 0 | 0 | 0 | 111.5 | L1982 | L1982-T1984 PolarHBondContact O-N 3.35Š| ||
| 1985 | S | 21.4 | Very low | 32 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -130 | 56.6 | 172.3 | 71.3 | 0 | 0 | 0 | 0 | 110.5 | T1983 | T1983-S1985 PolarHBondContact O-N 2.88Š| ||
| 1986 | T | 21.1 | Very low | 30.4 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | trans | -121.2 | 61.9 | 163.8 | 38.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1987 | A | 23.4 | Very low | 28.8 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -156.3 | 94.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1988 | R | 21.6 | Very low | 27.1 | Very low | 238 Ų | 238 | 144.1 Ų | 144.1 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | trans | 66.5 | 104 | 154.4 | -76.4 | -177.4 | 180 | 172 | 1.9 | 120.1 | V1990 | R1988-V1990 PolarHBondContact O-N 3.21Š| ||
| 1989 | L | 18.9 | Very low | 25.6 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | -28.8 | 104.7 | 122.3 | -75 | 152.5 | 0 | 0 | 0 | 112.7 | |||||
| 1990 | V | 23.2 | Very low | 24.7 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -152.3 | 129.4 | 130.9 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | R1988 | R1988-V1990 PolarHBondContact O-N 3.21Š| ||
| 1991 | E | 20.7 | Very low | 23.5 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -50.6 | 135.7 | -178.6 | -59.2 | 160.5 | 143.9 | 0 | 0 | 115.3 | ||||
| 1992 | T | 24.3 | Very low | 22.8 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -150.3 | 116 | 132 | 43.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1993 | T | 21.4 | Very low | 22.7 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | -64.1 | 138.4 | 167.6 | 44.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1994 | R | 21.7 | Very low | 22.5 | Very low | 217 Ų | 217 | 147.2 Ų | 147.2 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | 165.5 | 124.7 | 130.8 | -90.8 | 167.5 | -164.7 | -162.5 | 5 | 113.6 | ||||
| 1995 | I | 23.7 | Very low | 22.5 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | trans | 78 | 103.7 | 133.3 | -57.1 | 166.1 | 0 | 0 | 0 | 117.3 | ||||
| 1996 | N | 23 | Very low | 22.4 | Very low | 134 Ų | 134 | 148 Ų | 148 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | 44.6 | 142.3 | 126.6 | -76.4 | 16.1 | 0 | 0 | 0 | 122.6 | |||||
| 1997 | E | 23.6 | Very low | 22.5 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | trans | 90.8 | 104.2 | 141.3 | -78.7 | 163.3 | -139.5 | 0 | 0 | 117.9 | ||||
| 1998 | D | 22.8 | Very low | 22.5 | Very low | 139 Ų | 139 | 156.4 Ų | 156.4 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | 76.4 | 134.5 | 119.7 | -66.3 | -9.7 | 0 | 0 | 0 | 121.3 | |||||
| 1999 | S | 22.3 | Very low | 22.4 | Very low | 97 Ų | 97 | 153.4 Ų | 153.4 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | 80 | 93.2 | 145.6 | 65.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2000 | T | 22.6 | Very low | 22.5 | Very low | 128 Ų | 128 | 156 Ų | 156 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | 44.4 | 138.7 | 111.8 | 60.7 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 2001 | S | 21.9 | Very low | 22.6 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 101.2 | 115 | 154.8 | 69 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2002 | D | 24.7 | Very low | 22.7 | Very low | 153 Ų | 153 | 155.2 Ų | 155.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 62.2 | 105 | 147.1 | -53.8 | -19.5 | 0 | 0 | 0 | 117.8 | ||||
| 2003 | E | 22.8 | Very low | 22.5 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | -169.3 | 110.5 | 120.7 | -104.4 | 173.5 | -168.8 | 0 | 0 | 113.2 | S2005 | E2003-S2005 PolarHBondContact O-N 2.9Å; E2003-S2005 VanDerWaalsContact O-N 3.09Å | |||
| 2004 | L | 22.1 | Very low | 22.7 | Very low | 186 Ų | 186 | 155.9 Ų | 155.9 | 97% | 0.974 | 79% | 0.787 | S | S | * | * | trans | -60 | 89 | 161.4 | -164.5 | 94.9 | 0 | 0 | 0 | 110 | ||||
| 2005 | S | 24.4 | Very low | 22.7 | Very low | 81 Ų | 81 | 152.3 Ų | 152.3 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | trans | -159.6 | 34.8 | 168.7 | 67.8 | 0 | 0 | 0 | 0 | 116.9 | E2003 Y2007 | E2003-S2005 PolarHBondContact O-N 2.9Å; E2003-S2005 VanDerWaalsContact O-N 3.09Å; S2005-Y2007 PolarHBondContact O-N 3.36Å | ||
| 2006 | M | 20.3 | Very low | 22.6 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -84 | 57.7 | 168.7 | -74.5 | -65.6 | -72.8 | 0 | 0 | 112.1 | ||||
| 2007 | Y | 22.2 | Very low | 22.5 | Very low | 231 Ų | 231 | 152.3 Ų | 152.3 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -126.5 | 53 | 165.7 | -92.3 | -77.2 | 0 | 0 | 0 | 109.5 | S2005 | S2005-Y2007 PolarHBondContact O-N 3.36Š| ||
| 2008 | K | 23.6 | Very low | 22.5 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -144.7 | 59.7 | 174.2 | -75.4 | -168.4 | -179.9 | 171.2 | 0 | 113 | ||||
| 2009 | L | 20.7 | Very low | 22.4 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -116.2 | 38.6 | 154.5 | -87.1 | 166.9 | 0 | 0 | 0 | 111.3 | ||
| 2010 | R | 21.4 | Very low | 22.4 | Very low | 229 Ų | 229 | 150.2 Ų | 150.2 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -128.2 | 43.9 | 168.3 | -113.1 | -169.3 | -172.1 | -148.4 | 3.1 | 111 | ||
| 2011 | S | 23.7 | Very low | 22.5 | Very low | 85 Ų | 85 | 150.2 Ų | 150.2 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -167.9 | 79 | 169 | 61 | 0 | 0 | 0 | 0 | 111.3 | ||
| 2012 | K | 23.2 | Very low | 22.5 | Very low | 205 Ų | 205 | 153 Ų | 153 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 171.4 | 64 | 152.4 | -95.2 | 168 | -173.8 | -173.3 | 0 | 110.5 | ||
| 2013 | L | 21.1 | Very low | 22.5 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -143 | 114 | 138.9 | -137.2 | 83.5 | 0 | 0 | 0 | 106.6 | ||||
| 2014 | P | 24.4 | Very low | 22.5 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -86.1 | 153.2 | -169.7 | 34.9 | -33.3 | 0 | 0 | 0 | 110.9 | A2016 | P2014-A2016 PolarHBondContact O-N 3.19Š| ||
| 2015 | N | 21.8 | Very low | 22.6 | Very low | 143 Ų | 143 | 153.1 Ų | 153.1 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | 20.8 | 90.9 | 143.6 | -64.5 | -14.8 | 0 | 0 | 0 | 115.3 | Q2017 | N2015-Q2017 PolarHBondContact O-N 3.37Š| ||
| 2016 | A | 21.3 | Very low | 22.5 | Very low | 108 Ų | 108 | 158.4 Ų | 158.4 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -63.9 | 78.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | P2014 | P2014-A2016 PolarHBondContact O-N 3.19Š| ||
| 2017 | Q | 21.9 | Very low | 22.6 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -65.2 | 134.8 | 152.9 | -80.1 | -176 | -16.6 | 0 | 0 | 107.1 | N2015 L2019 | N2015-Q2017 PolarHBondContact O-N 3.37Å; Q2017-L2019 PolarHBondContact O-N 2.92Å | ||
| 2018 | S | 23.2 | Very low | 22.6 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -42.7 | 122 | -175.9 | 62.4 | 0 | 0 | 0 | 0 | 112 | S2020 | S2018-S2020 PolarHBondContact O-N 2.91Š| ||
| 2019 | L | 21.1 | Very low | 22.6 | Very low | 150 Ų | 150 | 158 Ų | 158 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 47.7 | -175.6 | -137 | 146.1 | 0 | 0 | 0 | 111.6 | Q2017 I2023 | Q2017-L2019 PolarHBondContact O-N 2.92Å; L2019-I2023 HydrophobicContact CD2-CD1 3.88Å; L2019-I2023 HydrophobicContact CD2-CG1 4.35Å |
| 2020 | S | 21.9 | Very low | 22.5 | Very low | 95 Ų | 95 | 158.3 Ų | 158.3 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -6.4 | 177.7 | 56.3 | 0 | 0 | 0 | 0 | 114 | S2018 | S2018-S2020 PolarHBondContact O-N 2.91Š|
| 2021 | V | 24.8 | Very low | 22.6 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -144.4 | 73.9 | 175.5 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 2022 | L | 22.2 | Very low | 22.4 | Very low | 161 Ų | 161 | 157.9 Ų | 157.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -155 | -6.4 | 148.8 | -138.9 | 92.7 | 0 | 0 | 0 | 115.6 | R2024 | L2022-R2024 PolarHBondContact O-N 2.96Å; L2022-R2024 VanDerWaalsContact O-N 3.16Å |
| 2023 | I | 23.8 | Very low | 22.3 | Very low | 146 Ų | 146 | 156.4 Ų | 156.4 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 45.6 | 174 | -48.3 | 175.8 | 0 | 0 | 0 | 110.9 | L2019 | L2019-I2023 HydrophobicContact CD2-CD1 3.88Å; L2019-I2023 HydrophobicContact CD2-CG1 4.35Å |
| 2024 | R | 23.3 | Very low | 22.3 | Very low | 234 Ų | 234 | 153.8 Ų | 153.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -11.9 | 168.3 | -130.5 | -179.8 | -163.3 | 162.3 | 6.6 | 116.2 | L2022 | L2022-R2024 PolarHBondContact O-N 2.96Å; L2022-R2024 VanDerWaalsContact O-N 3.16Å |
| 2025 | D | 23.8 | Very low | 22.2 | Very low | 140 Ų | 140 | 155 Ų | 155 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -119.2 | 0.8 | -173.4 | -91.2 | -7.7 | 0 | 0 | 0 | 118.1 | ||
| 2026 | H | 22.3 | Very low | 22.3 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 89% | 0.889 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -122.2 | 34.9 | 173.5 | -66.3 | -37.7 | 0 | 0 | 0 | 114.9 | ||
| 2027 | Q | 22 | Very low | 22.3 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -102.4 | 73.8 | 150.4 | -77.8 | -166.6 | -12.4 | 0 | 0 | 109.8 | ||
| 2028 | K | 23.4 | Very low | 22.3 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -173.2 | 56.7 | 160.7 | -106.9 | 166.3 | -165 | -178.8 | 0 | 112.9 | ||||
| 2029 | K | 22.4 | Very low | 22.5 | Very low | 213 Ų | 213 | 157.4 Ų | 157.4 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | -126.8 | 88.5 | 147.3 | -85 | -171.2 | 178.1 | 174.4 | 0 | 109.7 | ||||
| 2030 | F | 19.5 | Very low | 22.5 | Very low | 182 Ų | 182 | 157.6 Ų | 157.6 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -41.7 | 150.7 | 154.4 | -97.8 | -102.6 | 0 | 0 | 0 | 112.8 | ||||
| 2031 | V | 23.2 | Very low | 22.5 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 140.8 | 87 | 143.8 | 172.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 2032 | K | 20.5 | Very low | 22.5 | Very low | 185 Ų | 185 | 161.6 Ų | 161.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | 51.2 | 74.5 | 76.1 | -143.8 | -177.8 | -165.2 | -176.5 | 0 | 111.2 | |||||
| 2033 | L | 21.4 | Very low | 22.6 | Very low | 174 Ų | 174 | 160.4 Ų | 160.4 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -115.9 | 130.6 | 152.4 | -75.2 | 173.6 | 0 | 0 | 0 | 107.9 | ||||
| 2034 | N | 21.3 | Very low | 22.8 | Very low | 118 Ų | 118 | 162.5 Ų | 162.5 | 63% | 0.631 | 79% | 0.794 | S | S | * | * | trans | -124.5 | 155 | -161.8 | -168.4 | 19.8 | 0 | 0 | 0 | 104.9 | ||||
| 2035 | L | 21.2 | Very low | 22.8 | Very low | 134 Ų | 134 | 158.8 Ų | 158.8 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | 76 | 135.1 | 164.1 | -52.8 | 150.3 | 0 | 0 | 0 | 112.4 | ||||
| 2036 | D | 23.9 | Very low | 22.8 | Very low | 149 Ų | 149 | 161.3 Ų | 161.3 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -155.9 | 151.8 | 27.6 | -82.5 | -53.5 | 0 | 0 | 0 | 106.4 | ||||
| 2037 | G | 21.8 | Very low | 23.1 | Very low | 64 Ų | 64 | 157.3 Ų | 157.3 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | cis | 98.3 | 86 | 46.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2038 | K | 22.6 | Very low | 23.2 | Very low | 202 Ų | 202 | 155.7 Ų | 155.7 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | 60.2 | 126.2 | 149.5 | -60.3 | 179.6 | 176.6 | -180 | 0 | 119.7 | ||||
| 2039 | N | 26.3 | Very low | 23.3 | Very low | 152 Ų | 152 | 155.3 Ų | 155.3 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -167.5 | 109.8 | 133.3 | -90.1 | -29.5 | 0 | 0 | 0 | 108.8 | ||||
| 2040 | M | 21.9 | Very low | 23.4 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | 71 | 95.6 | 95.1 | -67.7 | -75.2 | -81.4 | 0 | 0 | 111.8 | |||||
| 2041 | E | 21.1 | Very low | 23.7 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | 64.7 | 126.7 | 91.5 | -93.8 | -165.6 | -164 | 0 | 0 | 116.6 | |||||
| 2042 | K | 24 | Very low | 23.9 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 81.1 | 111.8 | 153.3 | -65.2 | 165.5 | 171.9 | 131.7 | 0 | 118.4 | ||||
| 2043 | T | 24.9 | Very low | 24.2 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | 164.2 | 155.5 | 102.9 | 38.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 2044 | Q | 27.2 | Very low | 24.5 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | 105.1 | 69.7 | 169.8 | -56.9 | -169.5 | -2.3 | 0 | 0 | 117 | ||||
| 2045 | N | 24 | Very low | 24.6 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -69.8 | 156.1 | 139 | -86.4 | -36.1 | 0 | 0 | 0 | 110.1 | ||||
| 2046 | Q | 25 | Very low | 24.9 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | 116.9 | 41.4 | 160.1 | -61.2 | -178 | -13.7 | 0 | 0 | 118.8 | ||||
| 2047 | S | 27 | Very low | 25.2 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -136 | -15.3 | 158.2 | 57.5 | 0 | 0 | 0 | 0 | 115.6 | K2049 | S2047-K2049 PolarHBondContact O-N 2.99Š|
| 2048 | M | 24.7 | Very low | 25.5 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -2.5 | 178.6 | -86.2 | -70.9 | -80.2 | 0 | 0 | 115.4 | ||
| 2049 | K | 25.9 | Very low | 25.6 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 78% | 0.778 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -8.2 | -176.1 | -125.3 | 179.3 | -178.5 | -176.7 | 0 | 115.2 | S2047 | S2047-K2049 PolarHBondContact O-N 2.99Š|
| 2050 | Y | 24.9 | Very low | 25.7 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -100.1 | -3.2 | -179.9 | -95 | -78 | 0 | 0 | 0 | 114.8 | ||
| 2051 | L | 25.7 | Very low | 26 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -101.5 | -14 | 177.6 | -89.8 | 162.2 | 0 | 0 | 0 | 114 | ||
| 2052 | C | 25.8 | Very low | 26.3 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -87.1 | -13.5 | 178.1 | -69.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 2053 | E | 27 | Very low | 26.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -10.6 | -176.6 | -80.4 | -177.4 | 165.3 | 0 | 0 | 114.8 | T2057 | E2053-T2057 PolarHBondContact O-OG1 3.01Š|
| 2054 | N | 28.4 | Very low | 26.4 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -3.9 | -179.3 | -80.9 | -6.9 | 0 | 0 | 0 | 115.4 | ||
| 2055 | F | 24.1 | Very low | 26.4 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -17.9 | 171.5 | -84.9 | -75.6 | 0 | 0 | 0 | 113.7 | ||
| 2056 | S | 27.6 | Very low | 26.4 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -76.9 | -24.8 | 174.7 | -158.7 | 0 | 0 | 0 | 0 | 113 | ||
| 2057 | T | 29.6 | Very low | 26.3 | Very low | 97 Ų | 97 | 141 Ų | 141 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -86.6 | -4.9 | -175.4 | 45.4 | 0 | 0 | 0 | 0 | 114.5 | E2053 | E2053-T2057 PolarHBondContact O-OG1 3.01Å |
| 2058 | A | 27.2 | Very low | 26.2 | Very low | 67 Ų | 67 | 143.5 Ų | 143.5 | 55% | 0.554 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -100.5 | -20.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 2059 | Y | 25.2 | Very low | 26.1 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -85 | -27.6 | 178.7 | -131 | -89.1 | 0 | 0 | 0 | 112.7 | K2061 | Y2059-K2061 PolarHBondContact O-N 3.37Å |
| 2060 | D | 28.6 | Very low | 26 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 11.5 | 179.4 | -72.5 | -18.3 | 0 | 0 | 0 | 114.8 | ||
| 2061 | K | 28.8 | Very low | 25.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | 5.9 | 179 | -88.7 | -169.2 | 175.4 | -176.3 | 0 | 115.9 | Y2059 | Y2059-K2061 PolarHBondContact O-N 3.37Š|
| 2062 | I | 27.1 | Very low | 25.7 | Very low | 152 Ų | 152 | 143 Ų | 143 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -123.3 | 1 | -179.2 | -59.9 | 178.5 | 0 | 0 | 0 | 112.3 | ||
| 2063 | S | 25.5 | Very low | 25.5 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -107.3 | 24.1 | -178.7 | -164.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 2064 | E | 26 | Very low | 25.3 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -110.9 | 10.7 | -179.1 | -113.7 | -178 | -172 | 0 | 0 | 114.5 | ||
| 2065 | D | 25.9 | Very low | 25.1 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -122.7 | 128.9 | 173.5 | -84.7 | -37.5 | 0 | 0 | 0 | 111.1 | ||
| 2066 | I | 25.2 | Very low | 24.9 | Very low | 154 Ų | 154 | 142 Ų | 142 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 97.7 | 64 | 172.8 | -44.1 | 162.5 | 0 | 0 | 0 | 114.4 | ||||
| 2067 | D | 22.6 | Very low | 24.7 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 109.2 | 140.7 | -76.8 | -38.4 | 0 | 0 | 0 | 108.8 | ||||
| 2068 | M | 24.9 | Very low | 24.3 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | trans | -137.4 | 95.3 | 153.9 | -93.3 | -151.9 | -62.5 | 0 | 0 | 109.1 | L2070 | M2068-L2070 PolarHBondContact O-N 3.49Š| ||
| 2069 | E | 22.9 | Very low | 24.1 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -59.7 | 121.5 | 162.7 | -63.6 | 177.1 | 150.2 | 0 | 0 | 109.4 | ||||
| 2070 | L | 22.6 | Very low | 23.9 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -116.2 | 124.1 | 157.1 | -121.2 | 97.1 | 0 | 0 | 0 | 108.8 | M2068 | M2068-L2070 PolarHBondContact O-N 3.49Š| ||
| 2071 | P | 23.6 | Very low | 23.5 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -82.7 | 136.2 | -172.6 | 31.4 | -32.8 | 0 | 0 | 0 | 112.5 | S2073 | P2071-S2073 PolarHBondContact O-N 2.92Š| ||
| 2072 | L | 22 | Very low | 23.2 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -61.2 | 117.2 | 170.8 | -71.3 | 143 | 0 | 0 | 0 | 111.2 | ||||
| 2073 | S | 21.8 | Very low | 22.9 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -99.5 | 112.5 | 158.4 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | P2071 S2075 | P2071-S2073 PolarHBondContact O-N 2.92Å; S2073-S2075 PolarHBondContact O-N 3.32Å | ||
| 2074 | G | 22.7 | Very low | 22.6 | Very low | 81 Ų | 81 | 151.8 Ų | 151.8 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -70.9 | 119.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2075 | S | 22.6 | Very low | 22.4 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -106 | 107.6 | 161.2 | -62.2 | 0 | 0 | 0 | 0 | 108.2 | S2073 Y2077 | S2073-S2075 PolarHBondContact O-N 3.32Å; S2075-Y2077 PolarHBondContact O-N 2.95Å | ||
| 2076 | K | 21.4 | Very low | 22.1 | Very low | 205 Ų | 205 | 146.2 Ų | 146.2 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -59.8 | 110.7 | 177 | -70.3 | 168.5 | 173.5 | 173.9 | 0 | 110.2 | ||||
| 2077 | Y | 22.9 | Very low | 21.9 | Very low | 224 Ų | 224 | 143.9 Ų | 143.9 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | -112.4 | 127.3 | 155.5 | -89.3 | -85.6 | 0 | 0 | 0 | 108.9 | S2075 G2079 | S2075-Y2077 PolarHBondContact O-N 2.95Å; Y2077-G2079 PolarHBondContact O-N 2.98Å | ||
| 2078 | I | 21.2 | Very low | 22 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -67.5 | 104.5 | -168.9 | -70 | 155.3 | 0 | 0 | 0 | 109.5 | ||||
| 2079 | G | 22.6 | Very low | 21.8 | Very low | 70 Ų | 70 | 146.6 Ų | 146.6 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -82.8 | 132.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y2077 Q2081 | Y2077-G2079 PolarHBondContact O-N 2.98Å; G2079-Q2081 PolarHBondContact O-N 3.1Å | ||
| 2080 | H | 21.3 | Very low | 21.8 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -66.1 | 117.3 | 173.5 | -81.3 | 14.6 | 0 | 0 | 0 | 112.2 | I2082 | H2080-I2082 PolarHBondContact O-N 2.95Š| ||
| 2081 | Q | 20.8 | Very low | 21.8 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | 18.6 | 89.8 | 144.2 | -67.5 | 177.3 | -18.5 | 0 | 0 | 119.6 | G2079 | G2079-Q2081 PolarHBondContact O-N 3.1Š| ||
| 2082 | I | 22 | Very low | 21.8 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | 37.3 | 114.8 | 122.4 | -53.5 | 167.7 | 0 | 0 | 0 | 119.2 | H2080 V2084 | H2080-I2082 PolarHBondContact O-N 2.95Å; I2082-V2084 HydrophobicContact CG2-CG2 4.37Å | |||
| 2083 | P | 20.7 | Very low | 22 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -84.7 | 131.6 | 153.6 | 31.1 | -24.2 | 0 | 0 | 0 | 111.3 | ||||
| 2084 | V | 20 | Very low | 22.1 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -92.3 | 98.3 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | I2082 V2086 | I2082-V2084 HydrophobicContact CG2-CG2 4.37Å; V2084-V2086 HydrophobicContact CG1-CG2 4.34Å | ||
| 2085 | S | 20.7 | Very low | 22.4 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -110.8 | 99.5 | 165.3 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2086 | V | 20.7 | Very low | 22.9 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | trans | -76.3 | 127.6 | 164.9 | 173.7 | 0 | 0 | 0 | 0 | 108 | V2084 | V2084-V2086 HydrophobicContact CG1-CG2 4.34Š| ||
| 2087 | S | 20.3 | Very low | 23.2 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -64 | 126.7 | 176.4 | 44.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 2088 | Y | 23.7 | Very low | 23.9 | Very low | 198 Ų | 198 | 136 Ų | 136 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -110 | 106.2 | 163.3 | -90.6 | -83.5 | 0 | 0 | 0 | 110 | ||||
| 2089 | Q | 20.9 | Very low | 24.6 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -69.1 | 115.2 | 155.3 | -83.4 | 162.4 | -73 | 0 | 0 | 108 | ||||
| 2090 | N | 23.8 | Very low | 25.1 | Very low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 72% | 0.717 | S | S | * | * | trans | -114.8 | 98.6 | 169.7 | -87.4 | -14.3 | 0 | 0 | 0 | 110.1 | L2092 | N2090-L2092 HydrophobicContact CB-CD1 4.41Å; N2090-L2092 PolarHBondContact O-N 3.16Å | ||
| 2091 | D | 23.1 | Very low | 25.8 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | trans | -63 | 107.3 | 147.3 | -77.8 | -35.6 | 0 | 0 | 0 | 107.8 | ||||
| 2092 | L | 22.1 | Very low | 26.7 | Very low | 148 Ų | 148 | 123.6 Ų | 123.6 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | trans | -137 | 113.6 | 165.9 | -104.8 | 136.8 | 0 | 0 | 0 | 111 | N2090 | N2090-L2092 HydrophobicContact CB-CD1 4.41Å; N2090-L2092 PolarHBondContact O-N 3.16Å | ||
| 2093 | V | 26.8 | Very low | 27.5 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -61.8 | 129.7 | -175.5 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | C2095 | V2093-C2095 PolarHBondContact O-N 3.13Å; V2093-C2095 VanDerWaalsContact O-N 3.1Å; V2093-C2095 PolarHBondContact O-SG 3.35Å; V2093-C2095 VanDerWaalsContact O-SG 3.35Å | ||
| 2094 | H | 24.5 | Very low | 28.3 | Very low | 174 Ų | 174 | 121.1 Ų | 121.1 | 81% | 0.806 | 67% | 0.674 | S | S | * | * | trans | -44.1 | 108.4 | 168.8 | -169.8 | 44.8 | 0 | 0 | 0 | 111.6 | ||||
| 2095 | C | 27.7 | Very low | 28.9 | Very low | 95 Ų | 95 | 118.8 Ų | 118.8 | 64% | 0.642 | 66% | 0.663 | S | S | * | * | trans | -108.2 | 109.6 | 173.8 | -68.9 | 0 | 0 | 0 | 0 | 108.7 | V2093 L2097 | V2093-C2095 PolarHBondContact O-N 3.13Å; V2093-C2095 VanDerWaalsContact O-N 3.1Å; V2093-C2095 PolarHBondContact O-SG 3.35Å; V2093-C2095 VanDerWaalsContact O-SG 3.35Å; C2095-L2097 PolarHBondContact O-N 2.94Å | ||
| 2096 | D | 33.6 | Very low | 29.7 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 43% | 0.433 | 67% | 0.665 | S | S | . | * | trans | -71.5 | 121.8 | 179.3 | -163.4 | -17.9 | 0 | 0 | 0 | 109.7 | N2098 D2099 | D2096-N2098 PolarHBondContact O-N 3.49Å; D2096-N2098 VanDerWaalsContact O-N 3.07Å; D2096-N2098 PolarHBondContact OD1-N 2.92Å; D2096-D2099 WeakPolarHBondContact O-CB 3.5Å; D2096-D2099 PolarHBondContact O-N 2.9Å | ||
| 2097 | L | 27.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 71% | 0.712 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -59.6 | -20 | -179.6 | -86.7 | 153.8 | 0 | 0 | 0 | 112.6 | C2095 I2100 A2101 | C2095-L2097 PolarHBondContact O-N 2.94Å; L2097-I2100 PolarHBondContact O-N 3.38Å; L2097-A2101 VanDerWaalsContact O-CB 3.31Å; L2097-A2101 WeakPolarHBondContact O-CB 3.25Å; L2097-A2101 PolarHBondContact O-N 3.4Å |
| 2098 | N | 36.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 60% | 0.599 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69 | -31.4 | 171.2 | -76.2 | -42.9 | 0 | 0 | 0 | 113.1 | D2096 A2101 T2102 | D2096-N2098 PolarHBondContact O-N 3.49Å; D2096-N2098 VanDerWaalsContact O-N 3.07Å; D2096-N2098 PolarHBondContact OD1-N 2.92Å; N2098-A2101 PolarHBondContact O-N 3.02Å; N2098-T2102 WeakPolarHBondContact O-CG2 3.35Å; N2098-T2102 PolarHBondContact O-N 3.48Å; N2098-T2102 PolarHBondContact O-OG1 2.9Å |
| 2099 | D | 37 | Very low | 32 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 56% | 0.556 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.6 | -32.6 | 176 | -77.9 | -16.6 | 0 | 0 | 0 | 111.4 | D2096 T2102 N2103 | D2096-D2099 WeakPolarHBondContact O-CB 3.5Å; D2096-D2099 PolarHBondContact O-N 2.9Å; D2099-T2102 WeakPolarHBondContact CA-OG1 3.25Å; D2099-T2102 PolarHBondContact O-OG1 3.12Å; D2099-T2102 VanDerWaalsContact O-OG1 3.14Å; D2099-N2103 WeakPolarHBondContact O-CB 3.48Å; D2099-N2103 PolarHBondContact O-N 3.5Å; D2099-N2103 VanDerWaalsContact O-N 3.13Å; D2099-N2103 PolarHBondContact O-ND2 3.32Å |
| 2100 | I | 33.6 | Very low | 32.8 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 44% | 0.436 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.4 | -42.4 | 172.5 | -59.5 | 176.8 | 0 | 0 | 0 | 110.5 | L2097 T2102 N2103 S2104 | L2097-I2100 PolarHBondContact O-N 3.38Å; I2100-T2102 PolarHBondContact O-N 3.38Å; I2100-N2103 PolarHBondContact O-N 3.5Å; I2100-S2104 WeakPolarHBondContact O-CB 3.35Å; I2100-S2104 PolarHBondContact O-N 2.89Å; I2100-S2104 PolarHBondContact O-OG 3.43Å |
| 2101 | A | 36.1 | Very low | 33.3 | Very low | 63 Ų | 63 | 128.8 Ų | 128.8 | 52% | 0.521 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -64 | -30.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2097 N2098 | L2097-A2101 VanDerWaalsContact O-CB 3.31Å; L2097-A2101 WeakPolarHBondContact O-CB 3.25Å; L2097-A2101 PolarHBondContact O-N 3.4Å; N2098-A2101 PolarHBondContact O-N 3.02Å |
| 2102 | T | 39.3 | Very low | 34.3 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 53% | 0.528 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -82.6 | -31.9 | 177.3 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | N2098 D2099 I2100 | N2098-T2102 WeakPolarHBondContact O-CG2 3.35Å; N2098-T2102 PolarHBondContact O-N 3.48Å; N2098-T2102 PolarHBondContact O-OG1 2.9Å; D2099-T2102 WeakPolarHBondContact CA-OG1 3.25Å; D2099-T2102 PolarHBondContact O-OG1 3.12Å; D2099-T2102 VanDerWaalsContact O-OG1 3.14Å; I2100-T2102 PolarHBondContact O-N 3.38Å |
| 2103 | N | 39 | Very low | 35 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -101.4 | -23.9 | -173 | -71 | -38.7 | 0 | 0 | 0 | 115.7 | D2099 I2100 | D2099-N2103 WeakPolarHBondContact O-CB 3.48Å; D2099-N2103 PolarHBondContact O-N 3.5Å; D2099-N2103 VanDerWaalsContact O-N 3.13Å; D2099-N2103 PolarHBondContact O-ND2 3.32Å; I2100-N2103 PolarHBondContact O-N 3.5Å |
| 2104 | S | 37.8 | Very low | 35.2 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 58% | 0.58 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -19.8 | -166.1 | -46.3 | 0 | 0 | 0 | 0 | 115.5 | I2100 | I2100-S2104 WeakPolarHBondContact O-CB 3.35Å; I2100-S2104 PolarHBondContact O-N 2.89Å; I2100-S2104 PolarHBondContact O-OG 3.43Å |
| 2105 | C | 31.5 | Very low | 36 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 55% | 0.554 | 61% | 0.613 | S | S | * | * | trans | -133.4 | 70.7 | -174.1 | -77.7 | 0 | 0 | 0 | 0 | 112.5 | K2107 | C2105-K2107 PolarHBondContact O-N 3.5Š| ||
| 2106 | N | 37.6 | Very low | 36.4 | Very low | 154 Ų | 154 | 119 Ų | 119 | 82% | 0.824 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 5.3 | -174.5 | -103.9 | -30.9 | 0 | 0 | 0 | 117.8 | ||
| 2107 | K | 37.4 | Very low | 36.2 | Very low | 207 Ų | 207 | 125 Ų | 125 | 90% | 0.9 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.4 | 4.8 | -178.7 | -79.4 | -171.7 | 176.9 | 167.8 | 0 | 117.4 | C2105 | C2105-K2107 PolarHBondContact O-N 3.5Š|
| 2108 | M | 35.1 | Very low | 36.2 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 72% | 0.719 | 62% | 0.623 | S | S | * | * | trans | -111.3 | 90.4 | -175.4 | -151.6 | 150.8 | 89.4 | 0 | 0 | 112.1 | I2110 | M2108-I2110 PolarHBondContact O-N 2.82Š| ||
| 2109 | R | 40.8 | Very low | 35.9 | Very low | 187 Ų | 187 | 124 Ų | 124 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -78.9 | 99.6 | 173.2 | -73.4 | -176.6 | 175.1 | -170.5 | 1.9 | 109.1 | R2111 D2112 E2113 | R2109-R2111 PolarHBondContact O-N 3.23Å; R2109-R2111 VanDerWaalsContact O-N 3.07Å; R2109-D2112 HydrophobicContact CB-CB 4.05Å; R2109-D2112 WeakPolarHBondContact CB-OD2 3.37Å; R2109-D2112 WeakPolarHBondContact CD-OD2 3.49Å; R2109-D2112 WeakPolarHBondContact O-CB 3.27Å; R2109-D2112 PolarHBondContact O-N 2.94Å; R2109-E2113 PolarHBondContact O-N 3.49Å | ||
| 2110 | I | 37.1 | Very low | 35.5 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -52.5 | -32 | 177.7 | -61.3 | 166.5 | 0 | 0 | 0 | 111.6 | M2108 D2112 E2113 L2114 | M2108-I2110 PolarHBondContact O-N 2.82Å; I2110-D2112 VanDerWaalsContact C-N 3.33Å; I2110-D2112 PolarHBondContact O-N 3.2Å; I2110-E2113 PolarHBondContact O-N 2.83Å; I2110-L2114 HydrophobicContact CG2-CD1 4.19Å; I2110-L2114 PolarHBondContact O-N 3.47Å |
| 2111 | R | 35.4 | Very low | 35.1 | Very low | 219 Ų | 219 | 130.1 Ų | 130.1 | 83% | 0.826 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.4 | -30.4 | 175.2 | -152.1 | 178.5 | -165.7 | 125.9 | 2.8 | 114 | R2109 A2115 | R2109-R2111 PolarHBondContact O-N 3.23Å; R2109-R2111 VanDerWaalsContact O-N 3.07Å; R2111-A2115 WeakPolarHBondContact O-CB 3.48Å; R2111-A2115 PolarHBondContact O-N 3.38Å |
| 2112 | D | 43 | Very low | 34.8 | Very low | 82 Ų | 82 | 135 Ų | 135 | 44% | 0.439 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -82.5 | -28.3 | -179.5 | -65.8 | -16.7 | 0 | 0 | 0 | 111.6 | R2109 I2110 A2115 K2116 | R2109-D2112 HydrophobicContact CB-CB 4.05Å; R2109-D2112 WeakPolarHBondContact CB-OD2 3.37Å; R2109-D2112 WeakPolarHBondContact CD-OD2 3.49Å; R2109-D2112 WeakPolarHBondContact O-CB 3.27Å; R2109-D2112 PolarHBondContact O-N 2.94Å; I2110-D2112 VanDerWaalsContact C-N 3.33Å; I2110-D2112 PolarHBondContact O-N 3.2Å; D2112-A2115 PolarHBondContact O-N 2.87Å; D2112-K2116 WeakPolarHBondContact O-CG 3.27Å; D2112-K2116 PolarHBondContact O-N 3.08Å; D2112-K2116 VanDerWaalsContact O-N 3.14Å |
| 2113 | E | 36.7 | Very low | 34.3 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 39% | 0.388 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -74.6 | -40.2 | 172.8 | -80.9 | -59 | 146.2 | 0 | 0 | 112.1 | R2109 I2110 A2115 K2116 Y2117 | R2109-E2113 PolarHBondContact O-N 3.49Å; I2110-E2113 PolarHBondContact O-N 2.83Å; E2113-A2115 PolarHBondContact O-N 2.63Å; E2113-K2116 PolarHBondContact O-N 2.81Å; E2113-K2116 IonicContact OE1-NZ 2.69Å; E2113-K2116 PolarHBondContact OE1-NZ 3.42Å; E2113-Y2117 PolarHBondContact O-N 2.67Å |
| 2114 | L | 31.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -62.8 | -31.1 | 171.3 | -95.5 | 138.8 | 0 | 0 | 0 | 112.2 | I2110 | I2110-L2114 HydrophobicContact CG2-CD1 4.19Å; I2110-L2114 PolarHBondContact O-N 3.47Å |
| 2115 | A | 40.7 | Very low | 33.3 | Very low | 57 Ų | 57 | 139.3 Ų | 139.3 | 47% | 0.471 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -73.2 | -25.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R2111 D2112 E2113 G2118 | R2111-A2115 WeakPolarHBondContact O-CB 3.48Å; R2111-A2115 PolarHBondContact O-N 3.38Å; D2112-A2115 PolarHBondContact O-N 2.87Å; E2113-A2115 PolarHBondContact O-N 2.63Å; A2115-G2118 PolarHBondContact O-N 3.5Å |
| 2116 | K | 36.4 | Very low | 33.1 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -72.4 | -30.7 | 178 | -80.8 | 177.6 | -170.5 | 169.8 | 0 | 113.2 | D2112 E2113 G2118 | D2112-K2116 WeakPolarHBondContact O-CG 3.27Å; D2112-K2116 PolarHBondContact O-N 3.08Å; D2112-K2116 VanDerWaalsContact O-N 3.14Å; E2113-K2116 PolarHBondContact O-N 2.81Å; E2113-K2116 IonicContact OE1-NZ 2.69Å; E2113-K2116 PolarHBondContact OE1-NZ 3.42Å; K2116-G2118 VanDerWaalsContact C-N 3.31Å |
| 2117 | Y | 29.9 | Very low | 32.5 | Very low | 209 Ų | 209 | 137.7 Ų | 137.7 | 82% | 0.82 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -4.2 | 176.4 | -76.1 | -82 | 0 | 0 | 0 | 113.8 | E2113 | E2113-Y2117 PolarHBondContact O-N 2.67Š|
| 2118 | G | 28.3 | Very low | 32.1 | Very low | 55 Ų | 55 | 135.3 Ų | 135.3 | 57% | 0.567 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 5.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117 | A2115 K2116 | A2115-G2118 PolarHBondContact O-N 3.5Å; K2116-G2118 VanDerWaalsContact C-N 3.31Å |
| 2119 | H | 30.4 | Very low | 31.6 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -130 | 73.9 | -172.9 | -76.3 | -59.9 | 0 | 0 | 0 | 114.3 | ||||
| 2120 | L | 27.3 | Very low | 30.8 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -135.1 | 91.5 | 154.1 | -87.6 | 168.2 | 0 | 0 | 0 | 107.4 | ||||
| 2121 | N | 27.1 | Very low | 30.3 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 166.5 | 83.1 | 150 | -83 | -16.5 | 0 | 0 | 0 | 108.3 | ||
| 2122 | D | 29.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | trans | -178.2 | 92.7 | 147.6 | -93.4 | -19.4 | 0 | 0 | 0 | 109.9 | ||||
| 2123 | A | 27.4 | Very low | 29.1 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -156.9 | 46.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2124 | S | 27.5 | Very low | 28.6 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -87.5 | -7 | 168.6 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 2125 | E | 28.2 | Very low | 28.3 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -106.3 | -3.8 | -171.2 | -123.1 | -177.2 | 173 | 0 | 0 | 117.1 | ||
| 2126 | V | 27 | Very low | 27.6 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -95.7 | 0.6 | 178.1 | -172 | 0 | 0 | 0 | 0 | 113 | I2128 | V2126-I2128 VanDerWaalsContact C-N 3.33Å; V2126-I2128 PolarHBondContact O-N 3.28Å |
| 2127 | A | 26.5 | Very low | 27.3 | Very low | 92 Ų | 92 | 160.8 Ų | 160.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -4.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 2128 | I | 27.9 | Very low | 27.1 | Very low | 157 Ų | 157 | 155.6 Ų | 155.6 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -9.4 | -178.3 | -64.3 | -178.4 | 0 | 0 | 0 | 114.4 | V2126 | V2126-I2128 VanDerWaalsContact C-N 3.33Å; V2126-I2128 PolarHBondContact O-N 3.28Å |
| 2129 | R | 25 | Very low | 27.2 | Very low | 218 Ų | 218 | 158 Ų | 158 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -139.3 | 25.8 | -178.8 | -79.9 | -166.8 | -179 | 166.6 | 2.2 | 119 | ||
| 2130 | H | 24.4 | Very low | 27 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -139.9 | 52.7 | 165.2 | -76.6 | -60.8 | 0 | 0 | 0 | 115.1 | ||||
| 2131 | Q | 25.4 | Very low | 27.1 | Very low | 167 Ų | 167 | 156 Ų | 156 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -81.1 | 125.2 | 136.3 | -112.2 | -167.1 | 21.1 | 0 | 0 | 108.6 | ||
| 2132 | K | 26.5 | Very low | 27.1 | Very low | 168 Ų | 168 | 156.6 Ų | 156.6 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 87.2 | 82.7 | 154.9 | -58.8 | 168.9 | 179.7 | 172.2 | 0 | 117.3 | ||
| 2133 | R | 26.9 | Very low | 27.1 | Very low | 236 Ų | 236 | 155.5 Ų | 155.5 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | 168.7 | 90.9 | 134.9 | -93.5 | 158.7 | -175.2 | -167.2 | 3.6 | 106.3 | ||||
| 2134 | R | 26.5 | Very low | 27 | Very low | 238 Ų | 238 | 154.1 Ų | 154.1 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | 176 | 119.4 | 75.5 | -79.7 | 167.3 | 177.5 | -177.3 | -1.4 | 104 | |||||
| 2135 | R | 25.3 | Very low | 27.1 | Very low | 258 Ų | 258 | 155.3 Ų | 155.3 | 97% | 0.974 | 79% | 0.793 | S | S | * | * | 33.6 | 107.2 | 77.6 | -80.4 | -168.1 | 178.4 | -175.6 | 0.2 | 114.6 | |||||
| 2136 | G | 26.6 | Very low | 27 | Very low | 69 Ų | 69 | 152.1 Ų | 152.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 140.6 | 123.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2137 | Q | 30.2 | Very low | 27 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 85.1 | 143.4 | 155.8 | -58.8 | 179.2 | -40.9 | 0 | 0 | 117.9 | ||||
| 2138 | S | 25 | Very low | 26.8 | Very low | 101 Ų | 101 | 158.1 Ų | 158.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | cis | 160.7 | 116.5 | -35.8 | 48.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 2139 | S | 30.8 | Very low | 26.6 | Very low | 106 Ų | 106 | 160.4 Ų | 160.4 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 166.2 | 119.7 | 147.8 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2140 | I | 25.9 | Very low | 26.5 | Very low | 154 Ų | 154 | 157.9 Ų | 157.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 68.9 | 132.3 | 125.8 | -68.9 | 169.4 | 0 | 0 | 0 | 119.8 | |||||
| 2141 | I | 30 | Very low | 26.5 | Very low | 138 Ų | 138 | 156.2 Ų | 156.2 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | 102.2 | 113.4 | 161.7 | -70.2 | 152.5 | 0 | 0 | 0 | 118.8 | ||||
| 2142 | Q | 26.6 | Very low | 26.5 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | 52.1 | 98.8 | 144.4 | -67.8 | 168.1 | -17.3 | 0 | 0 | 119.6 | ||||
| 2143 | T | 29.5 | Very low | 26.7 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | 166.2 | 107 | 111.2 | 35.1 | 0 | 0 | 0 | 0 | 106.8 | T2145 | T2143-T2145 PolarHBondContact O-N 3.19Š| |||
| 2144 | G | 26 | Very low | 26.9 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -77.2 | 106.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T2146 | G2144-T2146 PolarHBondContact O-N 3.4Š| ||
| 2145 | T | 28.1 | Very low | 26.9 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -91.9 | 68 | 144.2 | 47.4 | 0 | 0 | 0 | 0 | 108.4 | T2143 F2147 | T2143-T2145 PolarHBondContact O-N 3.19Å; T2145-F2147 PolarHBondContact O-N 2.89Å | ||
| 2146 | T | 26.4 | Very low | 27.2 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | -67 | 70.9 | 143.8 | 44.2 | 0 | 0 | 0 | 0 | 108.8 | G2144 | G2144-T2146 PolarHBondContact O-N 3.4Š| ||
| 2147 | F | 26.7 | Very low | 27.2 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | -124.3 | 92.5 | 149.4 | -88.9 | -90.3 | 0 | 0 | 0 | 104.2 | T2145 K2149 F2150 | T2145-F2147 PolarHBondContact O-N 2.89Å; F2147-K2149 PolarHBondContact O-N 3.44Å; F2147-F2150 HydrophobicContact CD1-CE2 4.1Å; F2147-F2150 HydrophobicContact CE1-CE2 4.23Å | ||
| 2148 | K | 23.5 | Very low | 26.9 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | 39.1 | 84 | 89.3 | -68.2 | 180 | 176.2 | 174.8 | 0 | 107.2 | F2150 | K2148-F2150 PolarHBondContact O-N 3.48Š| |||
| 2149 | K | 22.8 | Very low | 26.8 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | trans | -44.5 | 98.8 | 133.5 | -100.7 | 178.8 | 174.5 | 176.5 | 0 | 105.3 | F2147 V2151 | F2147-K2149 PolarHBondContact O-N 3.44Å; K2149-V2151 PolarHBondContact O-N 3.17Å | ||
| 2150 | F | 23.8 | Very low | 26.5 | Very low | 166 Ų | 166 | 142 Ų | 142 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | -35.4 | 100.6 | 143.4 | -86.5 | -93.3 | 0 | 0 | 0 | 106.8 | F2147 K2148 A2152 | F2147-F2150 HydrophobicContact CD1-CE2 4.1Å; F2147-F2150 HydrophobicContact CE1-CE2 4.23Å; K2148-F2150 PolarHBondContact O-N 3.48Å; F2150-A2152 PolarHBondContact O-N 2.99Å | ||
| 2151 | V | 23.8 | Very low | 26.3 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | -30.2 | 122.1 | 135.3 | 177.3 | 0 | 0 | 0 | 0 | 108 | K2149 | K2149-V2151 PolarHBondContact O-N 3.17Š| ||
| 2152 | A | 26.3 | Very low | 26.1 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | trans | -56.5 | 145.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F2150 | F2150-A2152 PolarHBondContact O-N 2.99Š| ||
| 2153 | P | 30.1 | Very low | 25.9 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | -101.1 | 57.8 | 146.7 | 36.6 | -26.3 | 0 | 0 | 0 | 108.9 | ||||
| 2154 | M | 30.9 | Very low | 25.9 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | -104.2 | 73.1 | 153.7 | -75.8 | -157.2 | 80.3 | 0 | 0 | 108.1 | G2156 | M2154-G2156 PolarHBondContact O-N 3Š| ||
| 2155 | R | 27.3 | Very low | 26.1 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | 14.7 | 62.6 | 113.4 | -147.9 | 177.3 | -169.3 | 177.9 | -2.8 | 115.7 | E2222 | R2155-E2222 IonicContact CZ-OE1 2.95Å; R2155-E2222 IonicContact NH1-OE1 3.05Å; R2155-E2222 PolarHBondContact NH1-OE1 3.4Å; R2155-E2222 IonicContact NH2-OE1 3.22Å; R2155-E2222 PolarHBondContact NH2-OE1 3.47Å | |||
| 2156 | G | 30.2 | Very low | 26.3 | Very low | 60 Ų | 60 | 145 Ų | 145 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | trans | -97.4 | 122.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | M2154 G2158 | M2154-G2156 PolarHBondContact O-N 3Å; G2156-G2158 PolarHBondContact O-N 2.84Å | ||
| 2157 | R | 27.2 | Very low | 26.5 | Very low | 250 Ų | 250 | 145 Ų | 145 | 94% | 0.943 | 76% | 0.761 | S | S | * | * | trans | -31.1 | 115.6 | 145 | -71.7 | 172.4 | 171.1 | 174.3 | -2.5 | 107 | ||||
| 2158 | G | 24.6 | Very low | 26.5 | Very low | 50 Ų | 50 | 144.9 Ų | 144.9 | 52% | 0.515 | 77% | 0.767 | S | S | . | * | 80.4 | 129.2 | 52.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | G2156 | G2156-G2158 PolarHBondContact O-N 2.84Š| |||
| 2159 | F | 22.5 | Very low | 27 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | 69.1 | 127.7 | 155.4 | -70.2 | -97.7 | 0 | 0 | 0 | 113.7 | ||||
| 2160 | I | 24.2 | Very low | 27.4 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 62% | 0.621 | 76% | 0.76 | S | S | * | * | cis | -163.4 | 124.9 | 25.4 | -103.1 | 150 | 0 | 0 | 0 | 103.8 | ||||
| 2161 | L | 22.8 | Very low | 27.5 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | 60 | 109 | 97.3 | -94.4 | 159.6 | 0 | 0 | 0 | 112.3 | |||||
| 2162 | R | 24.9 | Very low | 27.6 | Very low | 220 Ų | 220 | 135 Ų | 135 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | 143.9 | 100.1 | 133.5 | -80.8 | 165.4 | 172.7 | 167.6 | -1.8 | 109.1 | ||||
| 2163 | N | 23.3 | Very low | 27.5 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | 58.5 | 91.2 | 92 | -76.7 | 7.8 | 0 | 0 | 0 | 112.3 | |||||
| 2164 | A | 28.6 | Very low | 27.2 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -168.7 | 94.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 2165 | T | 29.3 | Very low | 26.9 | Very low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -58.7 | 173.1 | 151.2 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2166 | P | 34.1 | Very low | 27.2 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | -130.5 | 155.2 | -63.8 | 35.8 | -19.2 | 0 | 0 | 0 | 111.5 | |||||
| 2167 | S | 29 | Very low | 26.9 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -155.3 | 108.1 | 152.8 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2168 | N | 27.3 | Very low | 26.7 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -10.6 | 162.2 | 134.8 | -100 | -5.5 | 0 | 0 | 0 | 116.3 | ||||
| 2169 | P | 34 | Very low | 26.6 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | cis | -136.3 | 172.6 | -48.9 | 31.1 | -10.2 | 0 | 0 | 0 | 112.6 | ||||
| 2170 | S | 31.6 | Very low | 26.7 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 74.4 | 91.9 | 146.3 | 41.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2171 | S | 26.2 | Very low | 26.6 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -135.6 | 115.9 | 158.5 | 59.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2172 | N | 25.3 | Very low | 26.5 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | 55 | 112.4 | 97.2 | -84.9 | -11.3 | 0 | 0 | 0 | 112.7 | |||||
| 2173 | N | 24.1 | Very low | 26.5 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | 67.3 | 143 | 82.2 | -81.9 | -33.6 | 0 | 0 | 0 | 112.6 | |||||
| 2174 | T | 24.5 | Very low | 26.5 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | 69.6 | 96.3 | 147.7 | 42.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2175 | A | 24.3 | Very low | 26.2 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | -169.1 | 156 | 92.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 2176 | P | 32.7 | Very low | 25.9 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -104.2 | 162.8 | -169.7 | 31.5 | -14.6 | 0 | 0 | 0 | 114.2 | ||||
| 2177 | V | 23.9 | Very low | 25.3 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | trans | -1.8 | 119.1 | 135.6 | -174.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2178 | A | 23.3 | Very low | 25 | Very low | 89 Ų | 89 | 124 Ų | 124 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | cis | 69 | 83.5 | 22.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2179 | L | 23.9 | Very low | 24.8 | Very low | 172 Ų | 172 | 124 Ų | 124 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -173.5 | 113.2 | 142.9 | -103.3 | 156 | 0 | 0 | 0 | 107 | ||||
| 2180 | G | 23.3 | Very low | 24.5 | Very low | 69 Ų | 69 | 125.4 Ų | 125.4 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | 81.3 | 89.9 | 101.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 2181 | S | 22.6 | Very low | 24.1 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | 76.4 | 106.8 | 91.3 | 168.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 2182 | T | 21.6 | Very low | 24 | Very low | 126 Ų | 126 | 124 Ų | 124 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -127.7 | 126.7 | 145.8 | 34.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2183 | I | 24.4 | Very low | 24.2 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | 70.9 | 121.5 | 142.3 | -56.1 | 164.8 | 0 | 0 | 0 | 118.2 | ||||
| 2184 | G | 23.2 | Very low | 24.2 | Very low | 69 Ų | 69 | 131.5 Ų | 131.5 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 176.9 | 59.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2185 | Q | 22.8 | Very low | 24.4 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | 55.6 | 132.9 | 129.2 | -96.9 | -176.1 | -3.5 | 0 | 0 | 122.5 | |||||
| 2186 | L | 21.5 | Very low | 24.9 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 110.5 | 103.3 | 137.4 | -69.3 | 155.3 | 0 | 0 | 0 | 119.1 | ||||
| 2187 | N | 21.7 | Very low | 24.8 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | 52.3 | 116.6 | 118.7 | -98.9 | -3.2 | 0 | 0 | 0 | 119.5 | |||||
| 2188 | S | 23.5 | Very low | 25.1 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -155.2 | 105.3 | 146.8 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2189 | N | 22.3 | Very low | 25.7 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -53.6 | 127 | 158.9 | -74.9 | -30.3 | 0 | 0 | 0 | 111.2 | ||||
| 2190 | V | 27.5 | Very low | 26.2 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -147.7 | 119.4 | 147.2 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2191 | T | 23.7 | Very low | 26.7 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | -67.8 | 136.6 | 165 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2192 | G | 24.8 | Very low | 27.8 | Very low | 65 Ų | 65 | 140.3 Ų | 140.3 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | 73.4 | 128.8 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2193 | I | 28.3 | Very low | 28.3 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | -178.1 | 117.3 | 121.6 | -87.2 | 150.3 | 0 | 0 | 0 | 107 | G2195 | I2193-G2195 PolarHBondContact O-N 3.15Š| |||
| 2194 | R | 24.8 | Very low | 28.6 | Very low | 257 Ų | 257 | 142.1 Ų | 142.1 | 97% | 0.97 | 77% | 0.772 | S | S | * | * | trans | -74.3 | 98.5 | 172.6 | -158.2 | 177.9 | -169 | -178.4 | 2.6 | 106.8 | ||||
| 2195 | G | 29.4 | Very low | 29.2 | Very low | 62 Ų | 62 | 143.6 Ų | 143.6 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | trans | -83.7 | 117.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I2193 | I2193-G2195 PolarHBondContact O-N 3.15Š| ||
| 2196 | D | 33.9 | Very low | 29.9 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | trans | -61.6 | 120.7 | -179.2 | -172.1 | -13.5 | 0 | 0 | 0 | 112.2 | F2198 | D2196-F2198 PolarHBondContact O-N 3.08Å; D2196-F2198 PolarHBondContact OD1-N 3.35Å | ||
| 2197 | P | 31.5 | Very low | 30.5 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -65.4 | -2.3 | -177.4 | -20.2 | 32.1 | 0 | 0 | 0 | 115.8 | R2199 S2200 | P2197-R2199 PolarHBondContact O-N 3.4Å; P2197-S2200 PolarHBondContact O-N 3.37Å; P2197-S2200 PolarHBondContact O-OG 3.35Å |
| 2198 | F | 29.8 | Very low | 31.5 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -58 | -12.9 | 172.3 | -100.6 | -80.2 | 0 | 0 | 0 | 114.2 | D2196 | D2196-F2198 PolarHBondContact O-N 3.08Å; D2196-F2198 PolarHBondContact OD1-N 3.35Å |
| 2199 | R | 36.5 | Very low | 32.1 | Very low | 250 Ų | 250 | 144.5 Ų | 144.5 | 94% | 0.943 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -94.8 | 10.9 | 172.1 | -85.9 | -178 | 170.3 | -101.7 | -0.1 | 116 | P2197 | P2197-R2199 PolarHBondContact O-N 3.4Š|
| 2200 | S | 34.3 | Very low | 33.2 | Very low | 84 Ų | 84 | 142.6 Ų | 142.6 | 59% | 0.587 | 78% | 0.775 | S | S | * | * | trans | -120.9 | 10.3 | -177.2 | 66 | 0 | 0 | 0 | 0 | 116.5 | P2197 P2202 | P2197-S2200 PolarHBondContact O-N 3.37Å; P2197-S2200 PolarHBondContact O-OG 3.35Å; S2200-P2202 VanDerWaalsContact O-CD 3.25Å; S2200-P2202 WeakPolarHBondContact O-CD 3.39Å | ||
| 2201 | R | 32.1 | Very low | 34.3 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 118.3 | 167.7 | -71.4 | -169 | 179.8 | -155.1 | -0.5 | 109.9 | ||
| 2202 | P | 45.7 | Very low | 36.3 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 144.3 | 177 | -13.8 | 29.3 | 0 | 0 | 0 | 110.8 | S2200 N2204 | S2200-P2202 VanDerWaalsContact O-CD 3.25Å; S2200-P2202 WeakPolarHBondContact O-CD 3.39Å; P2202-N2204 PolarHBondContact O-N 3.35Å |
| 2203 | L | 33.2 | Very low | 37.9 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 121.1 | -178.4 | -89.6 | 89.1 | 0 | 0 | 0 | 111.8 | T2205 | L2203-T2205 PolarHBondContact O-N 3.25Š|
| 2204 | N | 29.8 | Very low | 39.4 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 91% | 0.914 | 73% | 0.733 | S | S | * | * | trans | -76.7 | 82.4 | 170.4 | -152.5 | -6.2 | 0 | 0 | 0 | 108.9 | P2202 | P2202-N2204 PolarHBondContact O-N 3.35Š| ||
| 2205 | T | 36.8 | Very low | 40.9 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | trans | -124.1 | 118.9 | 169.5 | 59.8 | 0 | 0 | 0 | 0 | 110.3 | L2203 R2207 | L2203-T2205 PolarHBondContact O-N 3.25Å; T2205-R2207 PolarHBondContact O-N 3.08Å | ||
| 2206 | S | 36.9 | Very low | 41.8 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | trans | -63.6 | 42.1 | -179.4 | 49.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2207 | R | 33.7 | Very low | 42.6 | Very low | 222 Ų | 222 | 130.4 Ų | 130.4 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -112.6 | 112.8 | 168.9 | -78.6 | -173.8 | 174.6 | -154.1 | -1.8 | 108.8 | T2205 | T2205-R2207 PolarHBondContact O-N 3.08Š| ||
| 2208 | P | 42.4 | Very low | 43.1 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | trans | -60.6 | 143.3 | 173.1 | 24.8 | -30.3 | 0 | 0 | 0 | 109.3 | S2210 | P2208-S2210 PolarHBondContact O-N 2.77Š| ||
| 2209 | P | 37.7 | Very low | 43.8 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | -61.4 | 130.2 | -173.1 | 23.6 | -31.1 | 0 | 0 | 0 | 110 | L2211 | P2209-L2211 PolarHBondContact O-N 3.45Å; P2209-L2211 VanDerWaalsContact O-N 3.11Å | ||
| 2210 | S | 43.9 | Very low | 44.2 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 67% | 0.671 | S | S | * | * | trans | -56.3 | 112.1 | 178.6 | 45.4 | 0 | 0 | 0 | 0 | 110.6 | P2208 H2212 | P2208-S2210 PolarHBondContact O-N 2.77Å; S2210-H2212 PolarHBondContact O-N 3.5Å | ||
| 2211 | L | 51.2 | Low | 44.5 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 54% | 0.539 | 68% | 0.677 | S | S | . | * | trans | -56.2 | 124.4 | 170.8 | -172.1 | 68.7 | 0 | 0 | 0 | 108.7 | P2209 D2215 | P2209-L2211 PolarHBondContact O-N 3.45Å; P2209-L2211 VanDerWaalsContact O-N 3.11Å; L2211-D2215 HydrophobicContact CD1-CB 3.72Å; L2211-D2215 HydrophobicContact CD2-CB 4.35Å; L2211-D2215 HydrophobicContact CG-CB 3.89Å | ||
| 2212 | H | 65.1 | Low | 44.6 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 56% | 0.556 | 67% | 0.669 | S | S | * | * | trans | -64 | 140.5 | -176.9 | -162 | -91.7 | 0 | 0 | 0 | 109.3 | S2210 D2214 D2215 F2216 | S2210-H2212 PolarHBondContact O-N 3.5Å; H2212-D2214 IonicContact CE1-OD2 2.67Å; H2212-D2214 PolarHBondContact CE1-OD2 3.43Å; H2212-D2214 IonicContact ND1-OD2 2.86Å; H2212-D2214 PolarHBondContact ND1-OD2 3.2Å; H2212-D2214 PolarHBondContact O-N 3.4Å; H2212-D2215 WeakPolarHBondContact O-CB 3.4Å; H2212-D2215 PolarHBondContact O-N 3.28Å; H2212-F2216 PolarHBondContact O-N 3.13Å | ||
| 2213 | V | 58.9 | Low | 43.9 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -54 | -27.3 | -174.1 | 166.9 | 0 | 0 | 0 | 0 | 112.9 | F2216 T2217 | V2213-F2216 PolarHBondContact O-N 3.02Å; V2213-T2217 HydrophobicContact CG1-CG2 4.38Å; V2213-T2217 WeakPolarHBondContact O-CB 3.33Å; V2213-T2217 PolarHBondContact O-N 2.75Å; V2213-T2217 PolarHBondContact O-OG1 3.06Å |
| 2214 | D | 59.1 | Low | 43.6 | Very low | 97 Ų | 97 | 125 Ų | 125 | 52% | 0.519 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -69.5 | -32.5 | 177 | -63 | -41.3 | 0 | 0 | 0 | 113.3 | H2212 T2217 K2218 | H2212-D2214 IonicContact CE1-OD2 2.67Å; H2212-D2214 PolarHBondContact CE1-OD2 3.43Å; H2212-D2214 IonicContact ND1-OD2 2.86Å; H2212-D2214 PolarHBondContact ND1-OD2 3.2Å; H2212-D2214 PolarHBondContact O-N 3.4Å; D2214-T2217 WeakPolarHBondContact CA-OG1 3.49Å; D2214-T2217 PolarHBondContact O-OG1 3.31Å; D2214-K2218 WeakPolarHBondContact O-CB 2.97Å; D2214-K2218 PolarHBondContact O-N 3.18Å; D2214-K2218 VanDerWaalsContact O-N 3.16Å |
| 2215 | D | 57.6 | Low | 43.4 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 40% | 0.396 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -76.2 | -36.6 | 175.5 | -63.9 | -31 | 0 | 0 | 0 | 110.4 | L2211 H2212 K2218 L2219 | L2211-D2215 HydrophobicContact CD1-CB 3.72Å; L2211-D2215 HydrophobicContact CD2-CB 4.35Å; L2211-D2215 HydrophobicContact CG-CB 3.89Å; H2212-D2215 WeakPolarHBondContact O-CB 3.4Å; H2212-D2215 PolarHBondContact O-N 3.28Å; D2215-K2218 PolarHBondContact O-N 3.07Å; D2215-L2219 PolarHBondContact O-N 2.71Å |
| 2216 | F | 47.3 | Very low | 42.9 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 53% | 0.531 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -65.2 | -45.1 | 175 | -164.7 | -90.6 | 0 | 0 | 0 | 112 | H2212 V2213 K2218 L2219 E2220 | H2212-F2216 PolarHBondContact O-N 3.13Å; V2213-F2216 PolarHBondContact O-N 3.02Å; F2216-K2218 VanDerWaalsContact C-N 3.31Å; F2216-K2218 PolarHBondContact O-N 3.16Å; F2216-L2219 PolarHBondContact O-N 3.42Å; F2216-E2220 PolarHBondContact O-N 2.75Å; F2216-E2220 VanDerWaalsContact O-N 3.07Å |
| 2217 | T | 51.4 | Low | 42.2 | Very low | 51 Ų | 51 | 128.7 Ų | 128.7 | 31% | 0.313 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -74.3 | -19.5 | 178.7 | 47.1 | 0 | 0 | 0 | 0 | 113.9 | V2213 D2214 | V2213-T2217 HydrophobicContact CG1-CG2 4.38Å; V2213-T2217 WeakPolarHBondContact O-CB 3.33Å; V2213-T2217 PolarHBondContact O-N 2.75Å; V2213-T2217 PolarHBondContact O-OG1 3.06Å; D2214-T2217 WeakPolarHBondContact CA-OG1 3.49Å; D2214-T2217 PolarHBondContact O-OG1 3.31Å |
| 2218 | K | 42.3 | Very low | 41.7 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 68% | 0.683 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.6 | -43.3 | 169.2 | -97.5 | 179.7 | 176.5 | 174.8 | 0 | 111.7 | D2214 D2215 F2216 | D2214-K2218 WeakPolarHBondContact O-CB 2.97Å; D2214-K2218 PolarHBondContact O-N 3.18Å; D2214-K2218 VanDerWaalsContact O-N 3.16Å; D2215-K2218 PolarHBondContact O-N 3.07Å; F2216-K2218 VanDerWaalsContact C-N 3.31Å; F2216-K2218 PolarHBondContact O-N 3.16Å |
| 2219 | L | 43.3 | Very low | 40.9 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.6 | -40.6 | 177.5 | -82 | 160 | 0 | 0 | 0 | 111.9 | D2215 F2216 K2221 | D2215-L2219 PolarHBondContact O-N 2.71Å; F2216-L2219 PolarHBondContact O-N 3.42Å; L2219-K2221 PolarHBondContact O-N 3.03Å; L2219-K2221 VanDerWaalsContact O-N 3.14Å |
| 2220 | E | 44.7 | Very low | 40.2 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 62% | 0.621 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -13.7 | -175.3 | -153.9 | -178.4 | -157.9 | 0 | 0 | 114.3 | F2216 | F2216-E2220 PolarHBondContact O-N 2.75Å; F2216-E2220 VanDerWaalsContact O-N 3.07Å |
| 2221 | K | 42.2 | Very low | 39.4 | Very low | 166 Ų | 166 | 129 Ų | 129 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 1 | -174.5 | -77.1 | -177.1 | 178.8 | 173.5 | 0 | 115.5 | L2219 | L2219-K2221 PolarHBondContact O-N 3.03Å; L2219-K2221 VanDerWaalsContact O-N 3.14Å |
| 2222 | E | 34.1 | Very low | 38.1 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 62% | 0.621 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -106.7 | -3 | 178.9 | -62.3 | -150.6 | 137 | 0 | 0 | 115.2 | R2155 | R2155-E2222 IonicContact CZ-OE1 2.95Å; R2155-E2222 IonicContact NH1-OE1 3.05Å; R2155-E2222 PolarHBondContact NH1-OE1 3.4Å; R2155-E2222 IonicContact NH2-OE1 3.22Å; R2155-E2222 PolarHBondContact NH2-OE1 3.47Å |
| 2223 | E | 29.3 | Very low | 36.2 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -113.8 | 101.3 | 172.4 | -71.9 | -174.4 | 171.5 | 0 | 0 | 110.8 | ||||
| 2224 | G | 27 | Very low | 34.5 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | trans | -155.3 | 58.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2225 | I | 26.8 | Very low | 32.6 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -145.1 | 102.4 | 157.4 | -59.1 | -175.3 | 0 | 0 | 0 | 109.4 | ||
| 2226 | I | 25.4 | Very low | 31.1 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | trans | 58.3 | 95.9 | 136.4 | -50.4 | 173.8 | 0 | 0 | 0 | 116.5 | ||||
| 2227 | E | 22.4 | Very low | 29.9 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | 64.9 | 103.7 | 96.8 | -69.8 | -176.5 | 163.9 | 0 | 0 | 114.9 | |||||
| 2228 | E | 24.7 | Very low | 28.7 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -161.6 | 107.7 | 135.8 | -112 | 174.1 | -168.5 | 0 | 0 | 112.2 | ||||
| 2229 | T | 25.5 | Very low | 27.9 | Very low | 111 Ų | 111 | 160.6 Ų | 160.6 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | trans | 55.3 | 102.9 | 133 | 56.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2230 | T | 22.8 | Very low | 26.9 | Very low | 111 Ų | 111 | 159.2 Ų | 159.2 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | 49.2 | 112 | 121.9 | 58.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 2231 | H | 27.4 | Very low | 26.1 | Very low | 180 Ų | 180 | 160.2 Ų | 160.2 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | -177.2 | 95.7 | 109.6 | -90.6 | -60.3 | 0 | 0 | 0 | 110.8 | |||||
| 2232 | T | 23.7 | Very low | 25.2 | Very low | 136 Ų | 136 | 163.2 Ų | 163.2 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -83.4 | 116.9 | 161.3 | 40.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2233 | R | 23.9 | Very low | 24.7 | Very low | 240 Ų | 240 | 160.7 Ų | 160.7 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -114.2 | 97.3 | 154.8 | -84.7 | -174.2 | 174.6 | -166.3 | 0.3 | 106 | ||||
| 2234 | Q | 22.8 | Very low | 24.3 | Very low | 160 Ų | 160 | 162.6 Ų | 162.6 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | 64.7 | 113.2 | 83.9 | -76.2 | -163.3 | -11.2 | 0 | 0 | 114.8 | |||||
| 2235 | Y | 20.7 | Very low | 24.1 | Very low | 201 Ų | 201 | 163 Ų | 163 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | 71.9 | 131.2 | 145.5 | -82.2 | -104.5 | 0 | 0 | 0 | 116.3 | ||||
| 2236 | R | 24.7 | Very low | 23.8 | Very low | 230 Ų | 230 | 160 Ų | 160 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | cis | -170.7 | 145.1 | 46.8 | -160.1 | 168.4 | -168.5 | 171.7 | 1.6 | 111.4 | ||||
| 2237 | D | 23.9 | Very low | 23.6 | Very low | 131 Ų | 131 | 165 Ų | 165 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -55.8 | 163.2 | 170.7 | -65.8 | -63 | 0 | 0 | 0 | 115.8 | ||||
| 2238 | N | 24.8 | Very low | 23.6 | Very low | 152 Ų | 152 | 166.6 Ų | 166.6 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | 104.3 | 101.9 | 147.8 | -62.5 | -41 | 0 | 0 | 0 | 118 | ||||
| 2239 | R | 25.8 | Very low | 23.6 | Very low | 242 Ų | 242 | 161.2 Ų | 161.2 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | -160.4 | 107.8 | 120.3 | -106.8 | 172.1 | -159 | -173.8 | 5.8 | 111.4 | |||||
| 2240 | A | 23.3 | Very low | 23.3 | Very low | 99 Ų | 99 | 162.6 Ų | 162.6 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -85.9 | 126.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2241 | I | 27.2 | Very low | 23.3 | Very low | 154 Ų | 154 | 164.3 Ų | 164.3 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | -137.5 | 87.9 | 157.6 | -62.6 | -179.8 | 0 | 0 | 0 | 106 | ||||
| 2242 | R | 22.7 | Very low | 23 | Very low | 229 Ų | 229 | 167 Ų | 167 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | 48.3 | 88.6 | 109.8 | -97.5 | -176.2 | -177.5 | 173.9 | 2.4 | 114.6 | |||||
| 2243 | G | 23.8 | Very low | 22.8 | Very low | 81 Ų | 81 | 164 Ų | 164 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -68.1 | 127.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2244 | R | 21.4 | Very low | 22.8 | Very low | 226 Ų | 226 | 157.6 Ų | 157.6 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -102.4 | 113.9 | 161.3 | -87.2 | -172.1 | 176.7 | -166 | 0.9 | 107.4 | ||||
| 2245 | G | 22.2 | Very low | 22.6 | Very low | 82 Ų | 82 | 159.5 Ų | 159.5 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | -82.5 | 133.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2246 | A | 20.7 | Very low | 22.6 | Very low | 90 Ų | 90 | 154.5 Ų | 154.5 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -149.3 | 102.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 2247 | R | 21.4 | Very low | 22.5 | Very low | 246 Ų | 246 | 148.8 Ų | 148.8 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | 80.3 | 86.4 | 106.6 | -77.2 | -174.9 | 173.6 | -176.2 | -1.6 | 113.6 | G2249 | R2247-G2249 PolarHBondContact O-N 3.14Š| |||
| 2248 | F | 23 | Very low | 22.4 | Very low | 215 Ų | 215 | 150.3 Ų | 150.3 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | trans | -62.8 | 106.8 | 153.8 | -81.4 | -92.5 | 0 | 0 | 0 | 109.1 | ||||
| 2249 | G | 22.9 | Very low | 22.2 | Very low | 69 Ų | 69 | 150.4 Ų | 150.4 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -83.1 | 108.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R2247 V2251 | R2247-G2249 PolarHBondContact O-N 3.14Å; G2249-V2251 PolarHBondContact O-N 3.04Å | ||
| 2250 | T | 21 | Very low | 22 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -56.2 | 116.3 | 160.3 | 41.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2251 | V | 22.2 | Very low | 21.9 | Very low | 146 Ų | 146 | 146 Ų | 146 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -102.1 | 110.1 | 163.1 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | G2249 | G2249-V2251 PolarHBondContact O-N 3.04Š| ||
| 2252 | R | 20.6 | Very low | 21.7 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | -53.2 | 144.6 | 171.4 | -101.2 | 171.4 | 167.9 | 174.6 | -4.2 | 112 | ||||
| 2253 | G | 20.4 | Very low | 21.6 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -56.9 | 141.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2254 | A | 22.8 | Very low | 21.4 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -104.3 | 131.9 | 159 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2255 | F | 19.9 | Very low | 21.5 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -74 | 150.4 | -172.2 | -95.7 | -104.2 | 0 | 0 | 0 | 113.3 | ||||
| 2256 | S | 20.6 | Very low | 21.5 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | 59.5 | 113.8 | 129.3 | -171.3 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 2257 | S | 22.1 | Very low | 21.6 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | -153.9 | 113.9 | 129.5 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 2258 | H | 21 | Very low | 21.6 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -48.6 | 131.8 | 158 | -70 | -88.7 | 0 | 0 | 0 | 110.7 | ||||
| 2259 | N | 21.6 | Very low | 21.5 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -144.5 | 95.8 | 146.5 | -102 | -18.6 | 0 | 0 | 0 | 109 | V2261 | N2259-V2261 PolarHBondContact O-N 3.47Š| ||
| 2260 | T | 21 | Very low | 21.5 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -53.7 | 112.3 | 159.2 | 42.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2261 | V | 22.1 | Very low | 21.7 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -100.4 | 97.6 | 155.6 | 179.6 | 0 | 0 | 0 | 0 | 107 | N2259 L2263 | N2259-V2261 PolarHBondContact O-N 3.47Å; V2261-L2263 HydrophobicContact CG1-CD1 4.48Å; V2261-L2263 PolarHBondContact O-N 2.61Å | ||
| 2262 | N | 21.5 | Very low | 21.6 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -56.1 | 116.5 | 162 | -106.4 | -22.8 | 0 | 0 | 0 | 109.2 | ||||
| 2263 | L | 20.7 | Very low | 21.6 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -126.1 | 68.4 | 155.4 | -95.5 | 155.8 | 0 | 0 | 0 | 107.7 | V2261 | V2261-L2263 HydrophobicContact CG1-CD1 4.48Å; V2261-L2263 PolarHBondContact O-N 2.61Å | ||
| 2264 | S | 21.3 | Very low | 21.6 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -86.6 | 111.4 | 155.9 | 57 | 0 | 0 | 0 | 0 | 108 | ||||
| 2265 | S | 21.7 | Very low | 21.5 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 150.7 | 98.1 | 145.1 | 67 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2266 | M | 22.5 | Very low | 21.6 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | -156.9 | 137.7 | 127.7 | -95.4 | -52.6 | 159.9 | 0 | 0 | 108.5 | |||||
| 2267 | P | 23.9 | Very low | 21.5 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -93.5 | 158.1 | -163.9 | 37.3 | -34.6 | 0 | 0 | 0 | 113.6 | ||||
| 2268 | N | 20.9 | Very low | 21.5 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -0.4 | 113 | 153.9 | -68.9 | -20.8 | 0 | 0 | 0 | 117 | ||||
| 2269 | L | 22.1 | Very low | 21.5 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -128.5 | 120.4 | 147.1 | -139.2 | 83.4 | 0 | 0 | 0 | 108.7 | ||||
| 2270 | P | 22.6 | Very low | 21.5 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -88.4 | 118.3 | -176.1 | 33.4 | -28.9 | 0 | 0 | 0 | 109.8 | ||||
| 2271 | F | 23.6 | Very low | 21.5 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | trans | -104.9 | 96.3 | 159.2 | -98.3 | -81.3 | 0 | 0 | 0 | 108.9 | M2273 | F2271-M2273 PolarHBondContact O-N 2.92Š| ||
| 2272 | G | 19.9 | Very low | 21.4 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -69.8 | 111.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 2273 | M | 21.8 | Very low | 21.3 | Very low | 159 Ų | 159 | 142 Ų | 142 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -118.6 | 110.1 | 151.8 | -94.6 | -143.1 | 65.4 | 0 | 0 | 108.1 | F2271 I2275 | F2271-M2273 PolarHBondContact O-N 2.92Å; M2273-I2275 PolarHBondContact O-N 3.18Å | ||
| 2274 | R | 19.2 | Very low | 21.3 | Very low | 239 Ų | 239 | 139.1 Ų | 139.1 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -50.5 | 122.7 | 166 | -69.1 | 171 | 172.1 | 170.1 | -4.2 | 108.7 | ||||
| 2275 | I | 22.1 | Very low | 21.3 | Very low | 157 Ų | 157 | 139 Ų | 139 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -114.6 | 127.8 | 152.2 | -62 | 176 | 0 | 0 | 0 | 105.7 | M2273 | M2273-I2275 PolarHBondContact O-N 3.18Š| ||
| 2276 | P | 20.9 | Very low | 21.3 | Very low | 99 Ų | 99 | 143 Ų | 143 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -79.2 | 140.2 | -152.6 | -2.2 | 21.2 | 0 | 0 | 0 | 110.8 | I2278 | P2276-I2278 PolarHBondContact O-N 3.3Š| ||
| 2277 | T | 19.8 | Very low | 21.2 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -52.7 | 102.3 | 153 | 46.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2278 | I | 21.8 | Very low | 21.1 | Very low | 156 Ų | 156 | 141 Ų | 141 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -102.2 | 111.2 | 157.8 | -64 | 177.8 | 0 | 0 | 0 | 105.6 | P2276 | P2276-I2278 PolarHBondContact O-N 3.3Š| ||
| 2279 | N | 19.9 | Very low | 21 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | -55.8 | 151.4 | 176.9 | -91.1 | -9.3 | 0 | 0 | 0 | 111.7 | L2281 | N2279-L2281 PolarHBondContact O-N 2.82Å; N2279-L2281 VanDerWaalsContact O-N 3.13Å | ||
| 2280 | P | 21.8 | Very low | 20.9 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -72 | 104 | 175.1 | 31.3 | -31.8 | 0 | 0 | 0 | 109 | ||||
| 2281 | L | 20.5 | Very low | 20.8 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -129.3 | 127 | 168.2 | -87.4 | 161.6 | 0 | 0 | 0 | 107.3 | N2279 | N2279-L2281 PolarHBondContact O-N 2.82Å; N2279-L2281 VanDerWaalsContact O-N 3.13Å | ||
| 2282 | H | 20.9 | Very low | 20.8 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | 65.8 | 80.4 | 171.4 | -75.4 | -86.2 | 0 | 0 | 0 | 117.4 | T2284 | H2282-T2284 VanDerWaalsContact C-N 3.29Å; H2282-T2284 PolarHBondContact O-N 3.17Å | ||
| 2283 | T | 20.4 | Very low | 20.8 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | trans | -81.3 | 75.1 | 154.3 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2284 | T | 20.3 | Very low | 20.8 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 63% | 0.632 | 77% | 0.769 | S | S | * | * | trans | -100.8 | 123.3 | 159.7 | 44.1 | 0 | 0 | 0 | 0 | 107.9 | H2282 | H2282-T2284 VanDerWaalsContact C-N 3.29Å; H2282-T2284 PolarHBondContact O-N 3.17Å | ||
| 2285 | S | 21.6 | Very low | 20.8 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | 53.5 | 81.3 | 160.2 | 58.1 | 0 | 0 | 0 | 0 | 118.4 | L2287 | S2285-L2287 PolarHBondContact O-N 3.04Š| ||
| 2286 | L | 20.3 | Very low | 20.7 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 97% | 0.974 | 77% | 0.767 | S | S | * | * | trans | -86.7 | 62.2 | 136.1 | -71.6 | 174 | 0 | 0 | 0 | 108.4 | ||||
| 2287 | L | 21.4 | Very low | 20.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 67% | 0.665 | 77% | 0.774 | S | S | * | * | trans | -98.8 | 125.2 | 157.3 | -83.4 | 165.3 | 0 | 0 | 0 | 105.3 | S2285 N2289 | S2285-L2287 PolarHBondContact O-N 3.04Å; L2287-N2289 PolarHBondContact O-N 3.36Å | ||
| 2288 | P | 20.9 | Very low | 20.9 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -67.4 | 90.5 | 162.6 | 29.3 | -29.8 | 0 | 0 | 0 | 106.2 | W2290 | P2288-W2290 PolarHBondContact O-N 3.18Š| ||
| 2289 | N | 19.8 | Very low | 20.8 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | -56.4 | 105.3 | 165.3 | -93.8 | -6.5 | 0 | 0 | 0 | 106.8 | L2287 S2291 | L2287-N2289 PolarHBondContact O-N 3.36Å; N2289-S2291 PolarHBondContact O-N 2.81Å | ||
| 2290 | W | 20.3 | Very low | 20.9 | Very low | 251 Ų | 251 | 139.3 Ų | 139.3 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 69.9 | 141.7 | -78.9 | 35.4 | 0 | 0 | 0 | 106.3 | P2288 V2292 | P2288-W2290 PolarHBondContact O-N 3.18Å; W2290-V2292 PolarHBondContact O-N 3.27Å | ||
| 2291 | S | 20.6 | Very low | 20.9 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | trans | -70.8 | 120.4 | 160 | 53.3 | 0 | 0 | 0 | 0 | 105.3 | N2289 G2293 | N2289-S2291 PolarHBondContact O-N 2.81Å; S2291-G2293 PolarHBondContact O-N 2.79Å | ||
| 2292 | V | 22.4 | Very low | 21.1 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | trans | -51.1 | 85.6 | 160.8 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | W2290 | W2290-V2292 PolarHBondContact O-N 3.27Š| ||
| 2293 | G | 20.6 | Very low | 21.1 | Very low | 54 Ų | 54 | 139 Ų | 139 | 56% | 0.557 | 78% | 0.781 | S | S | * | * | trans | -124.8 | 87.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | S2291 R2295 | S2291-G2293 PolarHBondContact O-N 2.79Å; G2293-R2295 PolarHBondContact O-N 3.09Å | ||
| 2294 | A | 20.8 | Very low | 21.3 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -47.5 | 103.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S2296 | A2294-S2296 VanDerWaalsContact C-N 3.25Å; A2294-S2296 PolarHBondContact O-N 3.18Å | ||
| 2295 | R | 20 | Very low | 21.4 | Very low | 244 Ų | 244 | 143.1 Ų | 143.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -67.5 | 97.7 | 164.3 | -84.8 | -173.1 | 176.3 | -175.4 | 0.6 | 106.2 | G2293 I2297 | G2293-R2295 PolarHBondContact O-N 3.09Å; R2295-I2297 PolarHBondContact O-N 2.72Å | ||
| 2296 | S | 19.8 | Very low | 21.9 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -47.2 | 105.3 | 154.5 | 41.8 | 0 | 0 | 0 | 0 | 109 | A2294 | A2294-S2296 VanDerWaalsContact C-N 3.25Å; A2294-S2296 PolarHBondContact O-N 3.18Å | ||
| 2297 | I | 22.1 | Very low | 22 | Very low | 153 Ų | 153 | 147 Ų | 147 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -64.3 | 127.9 | 153 | -66.9 | 175.9 | 0 | 0 | 0 | 105.6 | R2295 L2299 | R2295-I2297 PolarHBondContact O-N 2.72Å; I2297-L2299 PolarHBondContact O-N 3.31Å; I2297-L2299 VanDerWaalsContact O-N 3.13Å | ||
| 2298 | P | 21.8 | Very low | 22 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -69.1 | 110.9 | -174 | 28.7 | -34.8 | 0 | 0 | 0 | 110 | L2300 | P2298-L2300 PolarHBondContact O-N 3.09Š| ||
| 2299 | L | 19.7 | Very low | 22.1 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 98.1 | 151.6 | -84 | 155.4 | 0 | 0 | 0 | 107.4 | I2297 | I2297-L2299 PolarHBondContact O-N 3.31Å; I2297-L2299 VanDerWaalsContact O-N 3.13Å | ||
| 2300 | L | 22.1 | Very low | 22.3 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -100.6 | 144.7 | 151.3 | -86.4 | 171.3 | 0 | 0 | 0 | 108.5 | P2298 | P2298-L2300 PolarHBondContact O-N 3.09Š| ||
| 2301 | P | 23.3 | Very low | 22.5 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -109.3 | 124 | -140.2 | 33.7 | -21 | 0 | 0 | 0 | 110.9 | ||||
| 2302 | F | 24.4 | Very low | 22.5 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -93.6 | 97.7 | 153.6 | -91.5 | -76.5 | 0 | 0 | 0 | 108.8 | L2304 | F2302-L2304 PolarHBondContact O-N 2.77Š| ||
| 2303 | S | 21.3 | Very low | 22.5 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -50 | 116.8 | 161.1 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2304 | L | 23.4 | Very low | 22.6 | Very low | 169 Ų | 169 | 151 Ų | 151 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -138.8 | 78.7 | 155.8 | -92.8 | 161.7 | 0 | 0 | 0 | 106.8 | F2302 | F2302-L2304 PolarHBondContact O-N 2.77Š| ||
| 2305 | E | 23.4 | Very low | 22.8 | Very low | 173 Ų | 173 | 158.3 Ų | 158.3 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 160.7 | 161.3 | -113.3 | -165.4 | 143.5 | 0 | 0 | 110.3 | ||||
| 2306 | P | 31.5 | Very low | 23 | Very low | 108 Ų | 108 | 156 Ų | 156 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | -117.8 | 156.2 | -118.1 | 25.5 | -5.2 | 0 | 0 | 0 | 111.5 | |||||
| 2307 | R | 21.5 | Very low | 23.3 | Very low | 251 Ų | 251 | 154.5 Ų | 154.5 | 95% | 0.947 | 78% | 0.777 | S | S | * | * | trans | -125.7 | 105.9 | 162.7 | -118.2 | 177.1 | -179.2 | 165.5 | 0 | 110.7 | ||||
| 2308 | A | 22.1 | Very low | 23.5 | Very low | 80 Ų | 80 | 162.9 Ų | 162.9 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | trans | -31.7 | 136.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2309 | N | 23.7 | Very low | 23.6 | Very low | 141 Ų | 141 | 165.6 Ų | 165.6 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | -177.9 | 123.9 | 111.2 | -96.6 | -15.2 | 0 | 0 | 0 | 111.6 | |||||
| 2310 | Q | 22.8 | Very low | 23.8 | Very low | 147 Ų | 147 | 165.1 Ų | 165.1 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | 84.4 | 118.2 | 119.4 | -149.9 | 82.1 | 10.3 | 0 | 0 | 117.9 | |||||
| 2311 | E | 24.4 | Very low | 23.9 | Very low | 135 Ų | 135 | 165.5 Ų | 165.5 | 63% | 0.631 | 80% | 0.796 | S | S | * | * | trans | 97.9 | 95.9 | 139.1 | -87.9 | 161.4 | -143.8 | 0 | 0 | 120.4 | ||||
| 2312 | R | 20.4 | Very low | 24 | Very low | 182 Ų | 182 | 169.1 Ų | 169.1 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | 79.6 | 110.1 | 112.4 | -89.4 | -171.3 | 170 | 154.1 | -0.7 | 118.3 | |||||
| 2313 | R | 23 | Very low | 23.9 | Very low | 172 Ų | 172 | 166.4 Ų | 166.4 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | 85.1 | 115 | 115.8 | -80.9 | -176.8 | 172.3 | 169.1 | -1.6 | 118 | |||||
| 2314 | E | 23.1 | Very low | 24.1 | Very low | 148 Ų | 148 | 170.5 Ų | 170.5 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | 61.8 | 104.9 | 122.3 | -61.6 | 166.9 | -157.7 | 0 | 0 | 115.8 | |||||
| 2315 | R | 24.8 | Very low | 24.2 | Very low | 252 Ų | 252 | 170.6 Ų | 170.6 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | -163.9 | 137.7 | 108.3 | -101.3 | 165.3 | -162.2 | -166.6 | 6.3 | 112.8 | |||||
| 2316 | H | 23.6 | Very low | 24.2 | Very low | 194 Ų | 194 | 170.5 Ų | 170.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -69.1 | 151 | 174.5 | -68.9 | -86.4 | 0 | 0 | 0 | 112.5 | ||||
| 2317 | G | 27.5 | Very low | 23.6 | Very low | 78 Ų | 78 | 175.7 Ų | 175.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 169.9 | 61 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2318 | R | 26.5 | Very low | 23.8 | Very low | 328 Ų | 328 | 168.8 Ų | 168.8 | 100% | 1.238 | 79% | 0.786 | S | S | * | * | trans | 75.5 | 0 | 165.5 | -80.4 | -173 | 175.3 | -167.5 | -1.2 | 119.8 |
Retrieved 2,318 of 2,318 residues in 2791.6 ms
(Link to these results)