| 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 | 40.9 | Very low | 78 | Confident | 221 Ų | 221 | 67.9 Ų | 67.9 | 100% | 1.089 | 33% | 0.331 | S | S | * | . | 0 | 163.2 | 0 | -72.5 | 170.1 | 171.3 | 0 | 0 | 107.9 | E3 | M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.17Å | |||
| 2 | S | 54.7 | Low | 78.8 | Confident | 30 Ų | 30 | 62.6 Ų | 62.6 | 21% | 0.21 | 31% | 0.305 | C | S | . | . | trans | -73.3 | 88.7 | 167.5 | 56.4 | 0 | 0 | 0 | 0 | 108.4 | I4 D399 | S2-I4 PolarHBondContact O-N 3.05Å; S2-D399 WeakPolarHBondContact CB-OD2 3.37Å | ||
| 3 | E | 67 | Low | 79.3 | Confident | 129 Ų | 129 | 66.1 Ų | 66.1 | 60% | 0.603 | 32% | 0.32 | S | S | * | . | trans | -69.5 | 120.6 | 179.1 | -167.4 | 168.6 | -171.8 | 0 | 0 | 109.4 | M1 V5 | M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.17Å; E3-V5 HydrophobicContact CG-CG2 4.1Å | ||
| 4 | I | 78.2 | Confident | 79.3 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138.3 | 169 | -50.2 | 179.9 | 0 | 0 | 0 | 105.6 | S2 L315 V333 V347 M348 N396 L403 | S2-I4 PolarHBondContact O-N 3.05Å; I4-L315 HydrophobicContact CD1-CD2 4.44Å; I4-V333 HydrophobicContact CD1-CG1 4.26Å; I4-V347 HydrophobicContact CD1-CG1 4.25Å; I4-V347 HydrophobicContact CG1-CG1 4.5Å; I4-M348 HydrophobicContact CB-CE 3.87Å; I4-M348 HydrophobicContact CG2-CE 3.75Å; I4-M348 HydrophobicContact CG2-SD 4.11Å; I4-M348 WeakPolarHBondContact O-CE 3.31Å; I4-N396 CarbonylContact C-O 3.6Å; I4-N396 WeakPolarHBondContact CA-O 3.45Å; I4-N396 WeakPolarHBondContact CG2-O 3.46Å; I4-L403 HydrophobicContact CD1-CD1 4.14Å; I4-L403 HydrophobicContact CD1-CD2 3.91Å; I4-L403 HydrophobicContact CG1-CD1 4.16Å; I4-L403 HydrophobicContact CG2-CD1 4.04Å |
| 5 | V | 85.6 | Confident | 78.9 | Confident | 78 Ų | 78 | 58.3 Ų | 58.3 | 47% | 0.473 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.9 | 178.4 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | E3 N396 | E3-V5 HydrophobicContact CG-CG2 4.1Å; V5-N396 PolarHBondContact N-O 3.15Å; V5-N396 PolarHBondContact O-N 3.34Å |
| 6 | Y | 89.2 | Confident | 78.3 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 29% | 0.286 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 159.8 | 176.2 | 72.5 | -95.8 | 0 | 0 | 0 | 112.2 | M348 S349 I350 Y393 L394 | Y6-M348 HydrophobicContact CD1-CE 3.84Å; Y6-M348 HydrophobicContact CD1-CG 4.45Å; Y6-M348 HydrophobicContact CD1-SD 3.9Å; Y6-S349 WeakPolarHBondContact CE1-O 3.27Å; Y6-I350 HydrophobicContact CD1-CB 4.31Å; Y6-I350 HydrophobicContact CD1-CG1 3.75Å; Y6-I350 HydrophobicContact CD1-CG2 4.22Å; Y6-I350 HydrophobicContact CD2-CG2 3.93Å; Y6-I350 HydrophobicContact CE1-CB 4.23Å; Y6-I350 HydrophobicContact CE1-CG1 4.07Å; Y6-I350 HydrophobicContact CE1-CG2 4.2Å; Y6-I350 HydrophobicContact CE2-CG2 3.9Å; Y6-I350 HydrophobicContact CG-CG1 4.14Å; Y6-I350 HydrophobicContact CG-CG2 4.08Å; Y6-Y393 AromaticContact CD2-CD1 3.87Å; Y6-Y393 HydrophobicContact CD2-CD1 3.87Å; Y6-Y393 HydrophobicContact CD2-CE1 4.35Å; Y6-Y393 HydrophobicContact CE2-CD1 4.27Å; Y6-Y393 HydrophobicContact CE2-CE1 4.29Å; Y6-L394 CarbonylContact C-O 3.53Å; Y6-L394 VanDerWaalsContact CA-O 3.28Å; Y6-L394 WeakPolarHBondContact CA-O 2.95Å |
| 7 | K | 88.8 | Confident | 78.1 | Confident | 118 Ų | 118 | 57.5 Ų | 57.5 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 117.2 | 171.7 | 175.6 | -177.7 | 177.4 | -177.8 | 0 | 109.3 | Y393 L394 | K7-Y393 WeakPolarHBondContact O-CA 3.15Å; K7-L394 HydrophobicContact CB-CB 4.41Å; K7-L394 PolarHBondContact N-O 3.2Å; K7-L394 PolarHBondContact O-N 2.96Å |
| 8 | Q | 89.2 | Confident | 77.3 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 29% | 0.29 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 139.4 | 173.2 | -162.6 | -175.6 | 24.7 | 0 | 0 | 110.6 | C391 Y393 | Q8-C391 PolarHBondContact NE2-SG 2.09Å; Q8-Y393 HydrophobicContact CB-CD1 4.13Å; Q8-Y393 HydrophobicContact CB-CE1 4.14Å; Q8-Y393 HydrophobicContact CG-CD1 4.21Å; Q8-Y393 HydrophobicContact CG-CE1 3.92Å |
| 9 | L | 89.1 | Confident | 76.5 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | trans | -104.1 | -175.3 | 176 | -63.9 | -178.4 | 0 | 0 | 0 | 109.8 | Q11 Y50 L51 T54 P392 L394 | L9-Q11 PolarHBondContact O-N 2.95Å; L9-Y50 HydrophobicContact CD1-CE1 4.23Å; L9-L51 HydrophobicContact CD1-CD2 3.65Å; L9-T54 HydrophobicContact CB-CG2 3.82Å; L9-T54 HydrophobicContact CD1-CG2 4.48Å; L9-T54 HydrophobicContact CD2-CG2 3.93Å; L9-T54 HydrophobicContact CG-CG2 4.28Å; L9-P392 HydrophobicContact CB-CB 4.18Å; L9-P392 HydrophobicContact CB-CG 3.88Å; L9-P392 WeakPolarHBondContact CB-O 3.4Å; L9-P392 HydrophobicContact CD1-CB 4.43Å; L9-P392 PolarHBondContact N-O 3.38Å; L9-L394 HydrophobicContact CD1-CB 4.45Å | ||
| 10 | H | 88.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -76.1 | 128.3 | 178.6 | -75.9 | 116.6 | 0 | 0 | 0 | 109.8 | Y50 T54 C57 R61 L65 P392 | H10-Y50 PolarHBondContact N-OH 3.31Å; H10-Y50 PolarHBondContact O-OH 3.47Å; H10-T54 HydrophobicContact CB-CG2 4.49Å; H10-T54 WeakPolarHBondContact CE1-CA 3.37Å; H10-T54 VanDerWaalsContact CE1-CG2 3.48Å; H10-T54 WeakPolarHBondContact CE1-CG2 3.21Å; H10-T54 PolarHBondContact CE1-O 2.91Å; H10-T54 PolarHBondContact ND1-O 3.16Å; H10-C57 VanDerWaalsContact NE2-C 3.26Å; H10-C57 VanDerWaalsContact NE2-CB 3.29Å; H10-C57 WeakPolarHBondContact NE2-CB 3.41Å; H10-C57 PolarHBondContact NE2-O 2.79Å; H10-R61 PolarHBondContact CE1-NH1 3.31Å; H10-R61 PolarHBondContact ND1-NH1 2.97Å; H10-R61 PolarHBondContact NE2-NH2 3.45Å; H10-L65 HydrophobicContact CB-CB 3.92Å; H10-L65 HydrophobicContact CB-CD1 4.3Å; H10-P392 WeakPolarHBondContact O-CG 3.37Å | ||
| 11 | Q | 87.7 | Confident | 75 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | trans | -59.6 | 160.2 | 169.2 | -61.1 | -168.2 | 42.8 | 0 | 0 | 110.7 | L9 P64 L65 P353 N389 I390 C391 | L9-Q11 PolarHBondContact O-N 2.95Å; Q11-P64 CarbonylContact O-C 3.59Å; Q11-P64 WeakPolarHBondContact O-CA 3.43Å; Q11-L65 PolarHBondContact O-N 2.92Å; Q11-P353 VanDerWaalsContact NE2-CG 3.33Å; Q11-N389 PolarHBondContact OE1-ND2 2.83Å; Q11-I390 VanDerWaalsContact CA-O 3.25Å; Q11-I390 WeakPolarHBondContact CA-O 3.49Å; Q11-C391 HydrophobicContact CG-CB 4.29Å | ||
| 12 | F | 86.8 | Confident | 77 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 152.7 | 167.1 | 58.1 | -78.6 | 0 | 0 | 0 | 110.3 | C14 F34 Y45 Y50 L65 N389 I390 P392 | F12-C14 VanDerWaalsContact CE2-SG 3.58Å; F12-F34 HydrophobicContact CE1-CZ 4.32Å; F12-F34 HydrophobicContact CE2-CE2 4.22Å; F12-F34 HydrophobicContact CE2-CZ 4.4Å; F12-F34 AromaticContact CZ-CE2 3.62Å; F12-F34 HydrophobicContact CZ-CE2 3.62Å; F12-F34 AromaticContact CZ-CZ 3.63Å; F12-F34 HydrophobicContact CZ-CZ 3.63Å; F12-Y45 HydrophobicContact CD2-CE1 4.4Å; F12-Y45 HydrophobicContact CE2-CD2 4.44Å; F12-Y45 HydrophobicContact CE2-CE1 4.17Å; F12-Y45 AromaticContact CE2-CE2 3.96Å; F12-Y45 HydrophobicContact CE2-CE2 3.96Å; F12-Y45 AromaticContact CE2-CZ 3.81Å; F12-Y50 HydrophobicContact CD1-CD2 4.14Å; F12-Y50 AromaticContact CD1-CE2 3.54Å; F12-Y50 HydrophobicContact CD1-CE2 3.54Å; F12-Y50 AromaticContact CE1-CD2 3.98Å; F12-Y50 HydrophobicContact CE1-CD2 3.98Å; F12-Y50 AromaticContact CE1-CE2 3.62Å; F12-Y50 HydrophobicContact CE1-CE2 3.62Å; F12-L65 HydrophobicContact CB-CB 4.46Å; F12-N389 CarbonylContact O-C 3.56Å; F12-N389 WeakPolarHBondContact O-CA 3.21Å; F12-I390 HydrophobicContact CD1-CB 4.37Å; F12-I390 HydrophobicContact CE1-CB 3.89Å; F12-I390 HydrophobicContact CE1-CG2 3.78Å; F12-I390 HydrophobicContact CE2-CB 4.17Å; F12-I390 HydrophobicContact CE2-CD1 3.8Å; F12-I390 HydrophobicContact CE2-CG1 4.42Å; F12-I390 HydrophobicContact CZ-CB 3.77Å; F12-I390 HydrophobicContact CZ-CD1 3.8Å; F12-I390 HydrophobicContact CZ-CG1 4.33Å; F12-I390 HydrophobicContact CZ-CG2 3.76Å; F12-I390 PolarHBondContact N-O 2.84Å; F12-I390 PolarHBondContact O-N 2.72Å; F12-P392 HydrophobicContact CE1-CG 4.36Å |
| 13 | H | 85.2 | Confident | 78.5 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137.9 | -175.2 | -170.4 | 66.5 | 0 | 0 | 0 | 111.3 | G15 N389 | H13-G15 PolarHBondContact CD2-N 2.97Å; H13-G15 WeakPolarHBondContact NE2-CA 3.33Å; H13-G15 PolarHBondContact NE2-N 2.7Å; H13-N389 PolarHBondContact ND1-OD1 2.67Å |
| 14 | C | 80 | Confident | 79.6 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -126.8 | 15.9 | -178.8 | -68.3 | 0 | 0 | 0 | 0 | 113.4 | F12 C36 S38 L43 Y384 G388 I390 | F12-C14 VanDerWaalsContact CE2-SG 3.58Å; C14-C36 VanDerWaalsContact SG-SG 3.62Å; C14-S38 VanDerWaalsContact O-CA 3.24Å; C14-S38 WeakPolarHBondContact O-CA 3.36Å; C14-S38 WeakPolarHBondContact O-CB 3.33Å; C14-L43 HydrophobicContact CB-CD1 4.21Å; C14-Y384 HydrophobicContact CB-CE2 4.4Å; C14-G388 PolarHBondContact N-O 2.78Å; C14-I390 HydrophobicContact CB-CD1 4.44Å; C14-I390 VanDerWaalsContact SG-CD1 3.51Å | ||
| 15 | G | 72.4 | Confident | 80.3 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | trans | 86.9 | 136.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H13 L17 Y384 G388 | H13-G15 PolarHBondContact CD2-N 2.97Å; H13-G15 WeakPolarHBondContact NE2-CA 3.33Å; H13-G15 PolarHBondContact NE2-N 2.7Å; G15-L17 PolarHBondContact O-N 2.78Å; G15-Y384 PolarHBondContact O-OH 2.99Å; G15-G388 VanDerWaalsContact O-CA 3.28Å; G15-G388 WeakPolarHBondContact O-CA 3.15Å | ||
| 16 | A | 69.2 | Low | 80.7 | Confident | 65 Ų | 65 | 41.7 Ų | 41.7 | 54% | 0.537 | 23% | 0.23 | S | C | . | . | trans | -83.2 | 108.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 17 | L | 74.9 | Confident | 80.9 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | trans | -74.1 | 149.6 | 173.8 | -74 | 164.7 | 0 | 0 | 0 | 111.5 | G15 F19 L25 V37 D39 Y384 | G15-L17 PolarHBondContact O-N 2.78Å; L17-F19 HydrophobicContact CB-CD1 4.11Å; L17-F19 HydrophobicContact CB-CE1 3.68Å; L17-F19 HydrophobicContact CB-CZ 3.91Å; L17-F19 HydrophobicContact CD1-CE1 4.36Å; L17-F19 WeakPolarHBondContact O-CD2 3Å; L17-F19 WeakPolarHBondContact O-CE2 3.27Å; L17-L25 HydrophobicContact CD1-CD1 3.88Å; L17-L25 HydrophobicContact CD1-CD2 4.37Å; L17-V37 HydrophobicContact CD1-CB 4.1Å; L17-V37 HydrophobicContact CD1-CG1 3.86Å; L17-D39 HydrophobicContact CD2-CB 4.43Å; L17-Y384 WeakPolarHBondContact CD1-OH 3.36Å | ||
| 18 | A | 64.8 | Low | 81.1 | Confident | 93 Ų | 93 | 33.5 Ų | 33.5 | 77% | 0.769 | 20% | 0.196 | S | C | * | . | trans | -78.3 | 120.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P20 | A18-P20 VanDerWaalsContact C-CD 3.49Å; A18-P20 WeakPolarHBondContact O-CD 3.17Å | ||
| 19 | F | 62.7 | Low | 81.2 | Confident | 60 Ų | 60 | 30.5 Ų | 30.5 | 26% | 0.263 | 18% | 0.182 | S | C | . | . | trans | -103.1 | 91.5 | -174.2 | -49.7 | -83.6 | 0 | 0 | 0 | 113.1 | L17 L25 M359 Y384 S386 | L17-F19 HydrophobicContact CB-CD1 4.11Å; L17-F19 HydrophobicContact CB-CE1 3.68Å; L17-F19 HydrophobicContact CB-CZ 3.91Å; L17-F19 HydrophobicContact CD1-CE1 4.36Å; L17-F19 WeakPolarHBondContact O-CD2 3Å; L17-F19 WeakPolarHBondContact O-CE2 3.27Å; F19-L25 HydrophobicContact CD1-CD1 3.88Å; F19-L25 HydrophobicContact CE1-CD1 3.6Å; F19-M359 HydrophobicContact CD1-CG 4.36Å; F19-M359 HydrophobicContact CD1-SD 3.89Å; F19-M359 HydrophobicContact CD2-SD 3.98Å; F19-M359 HydrophobicContact CE1-CG 3.94Å; F19-M359 HydrophobicContact CE1-SD 3.99Å; F19-M359 HydrophobicContact CE2-SD 4.09Å; F19-M359 HydrophobicContact CG-SD 3.89Å; F19-M359 HydrophobicContact CZ-CG 4.08Å; F19-M359 HydrophobicContact CZ-SD 4.09Å; F19-Y384 AromaticContact CE1-CE1 3.86Å; F19-Y384 HydrophobicContact CE1-CE1 3.86Å; F19-Y384 AromaticContact CZ-CE1 3.93Å; F19-Y384 HydrophobicContact CZ-CE1 3.93Å; F19-S386 WeakPolarHBondContact CE2-O 3.38Å | ||
| 20 | P | 53.3 | Low | 81 | Confident | 87 Ų | 87 | 31.6 Ų | 31.6 | 57% | 0.565 | 19% | 0.19 | S | C | * | . | trans | -85.1 | 142.1 | 154.2 | 34.4 | -30.7 | 0 | 0 | 0 | 110.6 | A18 | A18-P20 VanDerWaalsContact C-CD 3.49Å; A18-P20 WeakPolarHBondContact O-CD 3.17Å | ||
| 21 | E | 68 | Low | 80.9 | Confident | 80 Ų | 80 | 32.6 Ų | 32.6 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 60.6 | -172.3 | 164.3 | -68.9 | 132.2 | -125.2 | 0 | 0 | 117.4 | R139 | E21-R139 IonicContact OE1-CZ 3.19Å; E21-R139 IonicContact OE1-NH1 2.79Å; E21-R139 PolarHBondContact OE1-NH1 3.2Å; E21-R139 IonicContact OE1-NH2 3.39Å; E21-R139 WeakPolarHBondContact OE2-CD 3.32Å; E21-R139 IonicContact OE2-CZ 2.74Å; E21-R139 VanDerWaalsContact OE2-CZ 3.27Å; E21-R139 IonicContact OE2-NE 3.2Å; E21-R139 PolarHBondContact OE2-NE 3.31Å; E21-R139 IonicContact OE2-NH1 3.06Å; E21-R139 PolarHBondContact OE2-NH1 2.76Å |
| 22 | R | 81.2 | Confident | 80.8 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | trans | -69.5 | 138.8 | -177.4 | -71.3 | -177.4 | 148.9 | -124.4 | -21.1 | 111.2 | R141 V250 D251 V308 Q309 | R22-R141 VanDerWaalsContact CD-O 3.27Å; R22-R141 WeakPolarHBondContact CD-O 3.35Å; R22-R141 PolarHBondContact NH1-O 3.28Å; R22-V250 PolarHBondContact NH1-O 2.84Å; R22-V250 PolarHBondContact NH2-O 2.64Å; R22-V250 VanDerWaalsContact NH2-O 3.14Å; R22-D251 IonicContact CZ-OD1 3.95Å; R22-D251 VanDerWaalsContact CZ-OD1 3.29Å; R22-D251 IonicContact CZ-OD2 3.27Å; R22-D251 IonicContact NH1-OD1 2.67Å; R22-D251 PolarHBondContact NH1-OD1 3.01Å; R22-D251 IonicContact NH2-OD1 3.4Å; R22-D251 PolarHBondContact NH2-OD1 2.72Å; R22-D251 IonicContact NH2-OD2 3.79Å; R22-D251 PolarHBondContact NH2-OD2 2.85Å; R22-V308 PolarHBondContact NE-O 3.25Å; R22-V308 PolarHBondContact NH2-O 2.89Å; R22-Q309 VanDerWaalsContact CA-OE1 3.24Å; R22-Q309 HydrophobicContact CG-CB 4.4Å | ||
| 23 | S | 86.2 | Confident | 81 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | trans | -148.1 | 163 | -177.9 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | I81 Q309 | S23-I81 WeakPolarHBondContact CA-O 3.3Å; S23-I81 WeakPolarHBondContact CB-O 3.37Å; S23-Q309 PolarHBondContact O-NE2 2.61Å; S23-Q309 PolarHBondContact O-OE1 3.16Å | ||
| 24 | S | 90.8 | Very high | 81.4 | Confident | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -140.8 | 87.1 | 167.1 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | I26 I81 W82 T83 S360 | S24-I26 VanDerWaalsContact C-N 3.34Å; S24-I26 PolarHBondContact O-N 3.35Å; S24-I81 PolarHBondContact N-O 2.78Å; S24-I81 VanDerWaalsContact N-O 3.09Å; S24-W82 VanDerWaalsContact CB-CD2 3.48Å; S24-W82 VanDerWaalsContact CB-CE2 3.48Å; S24-W82 CarbonylContact O-C 3.43Å; S24-W82 WeakPolarHBondContact O-CA 3.41Å; S24-T83 PolarHBondContact O-N 2.97Å; S24-T83 PolarHBondContact O-OG1 2.92Å; S24-S360 WeakPolarHBondContact CA-OG 3.01Å |
| 25 | L | 92.3 | Very high | 82.1 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -91.5 | 8.5 | -164.8 | -56.7 | 174.5 | 0 | 0 | 0 | 114.2 | L17 F19 C36 V37 S360 Y384 | L17-L25 HydrophobicContact CD1-CD1 3.88Å; L17-L25 HydrophobicContact CD1-CD2 4.37Å; F19-L25 HydrophobicContact CD1-CD1 3.88Å; F19-L25 HydrophobicContact CE1-CD1 3.6Å; L25-C36 CarbonylContact O-C 3.59Å; L25-C36 VanDerWaalsContact O-CA 3.26Å; L25-C36 WeakPolarHBondContact O-CA 3.44Å; L25-V37 HydrophobicContact CB-CB 4.24Å; L25-V37 HydrophobicContact CB-CG2 4.22Å; L25-V37 HydrophobicContact CD2-CB 4.06Å; L25-V37 HydrophobicContact CD2-CG1 4.41Å; L25-V37 HydrophobicContact CD2-CG2 3.99Å; L25-V37 PolarHBondContact O-N 2.91Å; L25-S360 PolarHBondContact N-OG 3.43Å; L25-Y384 HydrophobicContact CB-CD2 4.33Å; L25-Y384 HydrophobicContact CB-CG 4.33Å; L25-Y384 HydrophobicContact CD1-CD1 4.34Å; L25-Y384 HydrophobicContact CD1-CE1 4.12Å | ||
| 26 | I | 94 | Very high | 83.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 143 | 179.6 | -161.6 | 162.8 | 0 | 0 | 0 | 110.1 | S24 V35 C36 D362 L382 I390 | S24-I26 VanDerWaalsContact C-N 3.34Å; S24-I26 PolarHBondContact O-N 3.35Å; I26-V35 WeakPolarHBondContact CA-O 3.22Å; I26-V35 WeakPolarHBondContact CG1-O 3.47Å; I26-C36 HydrophobicContact CG1-CB 4.24Å; I26-D362 HydrophobicContact CG2-CB 4.33Å; I26-L382 HydrophobicContact CD1-CB 3.5Å; I26-L382 VanDerWaalsContact CD1-CB 3.5Å; I26-L382 HydrophobicContact CD1-CD1 4.02Å; I26-L382 HydrophobicContact CD1-CG 4.41Å; I26-L382 HydrophobicContact CG1-CB 4.32Å; I26-L382 HydrophobicContact CG1-CD1 4.4Å; I26-I390 HydrophobicContact CD1-CD1 3.84Å; I26-I390 HydrophobicContact CD1-CG1 4.24Å; I26-I390 HydrophobicContact CD1-CG2 3.95Å |
| 27 | S | 94.4 | Very high | 84.2 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 144.8 | 177.4 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | F34 V35 T83 D362 | S27-F34 WeakPolarHBondContact O-CA 3.19Å; S27-V35 PolarHBondContact N-O 3.05Å; S27-V35 PolarHBondContact O-N 3.47Å; S27-T83 PolarHBondContact OG-O 3.01Å; S27-T83 PolarHBondContact OG-OG1 2.74Å; S27-D362 WeakPolarHBondContact CA-OD2 3.37Å |
| 28 | I | 93.1 | Very high | 84.9 | Confident | 14 Ų | 14 | 21.7 Ų | 21.7 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.2 | -177.1 | -60.7 | 165.7 | 0 | 0 | 0 | 110.8 | F34 F85 D362 Y380 L382 | I28-F34 HydrophobicContact CG1-CB 4.04Å; I28-F85 VanDerWaalsContact O-CD2 3.31Å; I28-F85 WeakPolarHBondContact O-CD2 2.99Å; I28-D362 HydrophobicContact CD1-CB 3.97Å; I28-D362 HydrophobicContact CG1-CB 4.16Å; I28-D362 PolarHBondContact N-OD2 2.92Å; I28-Y380 HydrophobicContact CD1-CD2 4.2Å; I28-Y380 HydrophobicContact CD1-CE2 3.88Å; I28-Y380 HydrophobicContact CG1-CE2 4.21Å; I28-Y380 HydrophobicContact CG2-CE2 3.94Å; I28-Y380 WeakPolarHBondContact CG2-OH 3.4Å; I28-L382 HydrophobicContact CD1-CB 4.27Å; I28-L382 HydrophobicContact CD1-CD1 3.84Å; I28-L382 HydrophobicContact CD1-CG 3.79Å; I28-L382 HydrophobicContact CG1-CD1 3.72Å; I28-L382 HydrophobicContact CG1-CG 4.25Å |
| 29 | C | 90.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.4 | 174 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | H31 G32 C33 F85 G89 | C29-H31 PolarHBondContact O-N 2.94Å; C29-H31 VanDerWaalsContact O-N 3.12Å; C29-H31 VanDerWaalsContact SG-CD2 3.56Å; C29-H31 PolarHBondContact SG-N 3.03Å; C29-G32 PolarHBondContact O-N 3.39Å; C29-C33 WeakPolarHBondContact CA-O 3.16Å; C29-C33 WeakPolarHBondContact CB-O 3.03Å; C29-C33 VanDerWaalsContact CB-SG 3.54Å; C29-C33 PolarHBondContact N-O 2.9Å; C29-F85 HydrophobicContact CB-CD1 4.29Å; C29-F85 HydrophobicContact CB-CD2 4.08Å; C29-F85 HydrophobicContact CB-CE1 3.99Å; C29-F85 HydrophobicContact CB-CE2 3.75Å; C29-F85 HydrophobicContact CB-CG 4.34Å; C29-F85 HydrophobicContact CB-CZ 3.71Å; C29-G89 PolarHBondContact SG-O 3.1Å |
| 30 | P | 85.2 | Confident | 86.5 | Confident | 34 Ų | 34 | 25.1 Ų | 25.1 | 22% | 0.221 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.2 | 176.3 | 23.9 | -34.2 | 0 | 0 | 0 | 113.4 | G32 P409 L411 | P30-G32 PolarHBondContact O-N 3.31Å; P30-P409 HydrophobicContact CB-CG 3.81Å; P30-P409 HydrophobicContact CG-CG 3.58Å; P30-L411 WeakPolarHBondContact O-CD2 3.42Å |
| 31 | H | 85.8 | Confident | 88.3 | Confident | 21 Ų | 21 | 21.1 Ų | 21.1 | 10% | 0.097 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 11 | 179.3 | -55.3 | -53.7 | 0 | 0 | 0 | 114.6 | C29 D88 K410 I412 L414 | C29-H31 PolarHBondContact O-N 2.94Å; C29-H31 VanDerWaalsContact O-N 3.12Å; C29-H31 VanDerWaalsContact SG-CD2 3.56Å; C29-H31 PolarHBondContact SG-N 3.03Å; H31-D88 PolarHBondContact NE2-O 3.03Å; H31-K410 PolarHBondContact CE1-O 3.22Å; H31-I412 PolarHBondContact ND1-N 3.4Å; H31-L414 HydrophobicContact CB-CD1 3.67Å; H31-L414 HydrophobicContact CB-CG 4.05Å |
| 32 | G | 86.1 | Confident | 89.5 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 28.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C29 P30 T47 | C29-G32 PolarHBondContact O-N 3.39Å; P30-G32 PolarHBondContact O-N 3.31Å; G32-T47 VanDerWaalsContact C-OG1 3.31Å; G32-T47 VanDerWaalsContact O-CB 3.3Å; G32-T47 WeakPolarHBondContact O-CB 3.17Å; G32-T47 PolarHBondContact O-N 2.82Å; G32-T47 PolarHBondContact O-OG1 3.25Å |
| 33 | C | 90.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 165.9 | 168 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | C29 Y45 T47 I416 | C29-C33 WeakPolarHBondContact CA-O 3.16Å; C29-C33 WeakPolarHBondContact CB-O 3.03Å; C29-C33 VanDerWaalsContact CB-SG 3.54Å; C29-C33 PolarHBondContact N-O 2.9Å; C33-Y45 VanDerWaalsContact CA-O 3.27Å; C33-Y45 WeakPolarHBondContact CA-O 3.37Å; C33-Y45 WeakPolarHBondContact CB-O 3.28Å; C33-T47 WeakPolarHBondContact CA-OG1 3.44Å; C33-I416 HydrophobicContact CB-CD1 3.55Å |
| 34 | F | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 159.5 | 171.8 | 64.5 | -94 | 0 | 0 | 0 | 110.7 | F12 S27 I28 Y45 Y50 L382 | F12-F34 HydrophobicContact CE1-CZ 4.32Å; F12-F34 HydrophobicContact CE2-CE2 4.22Å; F12-F34 HydrophobicContact CE2-CZ 4.4Å; F12-F34 AromaticContact CZ-CE2 3.62Å; F12-F34 HydrophobicContact CZ-CE2 3.62Å; F12-F34 AromaticContact CZ-CZ 3.63Å; F12-F34 HydrophobicContact CZ-CZ 3.63Å; S27-F34 WeakPolarHBondContact O-CA 3.19Å; I28-F34 HydrophobicContact CG1-CB 4.04Å; F34-Y45 HydrophobicContact CD2-CD2 4.25Å; F34-Y45 AromaticContact CE2-CD2 3.55Å; F34-Y45 HydrophobicContact CE2-CD2 3.55Å; F34-Y45 HydrophobicContact CE2-CE2 4.41Å; F34-Y45 AromaticContact CE2-CG 3.72Å; F34-Y45 HydrophobicContact CE2-CG 3.72Å; F34-Y45 HydrophobicContact CZ-CD1 4.41Å; F34-Y45 HydrophobicContact CZ-CD2 4.05Å; F34-Y45 AromaticContact CZ-CG 3.72Å; F34-Y45 HydrophobicContact CZ-CG 3.72Å; F34-Y45 PolarHBondContact N-O 3.01Å; F34-Y45 PolarHBondContact O-N 2.89Å; F34-Y50 HydrophobicContact CE1-CG 4.28Å; F34-Y50 HydrophobicContact CZ-CG 4.36Å; F34-L382 HydrophobicContact CB-CD1 3.72Å; F34-L382 HydrophobicContact CD1-CD1 3.89Å; F34-L382 HydrophobicContact CD2-CD1 3.72Å; F34-L382 HydrophobicContact CE1-CD1 4.43Å; F34-L382 HydrophobicContact CE2-CD1 4.29Å; F34-L382 HydrophobicContact CG-CD1 3.49Å; F34-L382 VanDerWaalsContact CG-CD1 3.49Å |
| 35 | V | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 149.6 | 175.1 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | I26 S27 L42 L43 L44 F85 L92 | I26-V35 WeakPolarHBondContact CA-O 3.22Å; I26-V35 WeakPolarHBondContact CG1-O 3.47Å; S27-V35 PolarHBondContact N-O 3.05Å; S27-V35 PolarHBondContact O-N 3.47Å; V35-L42 HydrophobicContact CB-CD1 3.99Å; V35-L42 HydrophobicContact CB-CD2 4.43Å; V35-L42 HydrophobicContact CB-CG 4.26Å; V35-L42 HydrophobicContact CG1-CD2 4.29Å; V35-L42 HydrophobicContact CG2-CD1 4.19Å; V35-L43 CarbonylContact C-O 3.59Å; V35-L43 WeakPolarHBondContact CA-O 3.36Å; V35-L44 HydrophobicContact CG1-CB 3.89Å; V35-L44 HydrophobicContact CG1-CD1 3.95Å; V35-L44 HydrophobicContact CG1-CG 3.92Å; V35-F85 HydrophobicContact CG1-CZ 3.98Å; V35-F85 HydrophobicContact CG2-CE2 3.85Å; V35-F85 HydrophobicContact CG2-CZ 3.92Å; V35-L92 HydrophobicContact CG1-CD2 4.21Å; V35-L92 HydrophobicContact CG2-CD1 4Å; V35-L92 HydrophobicContact CG2-CD2 4.07Å |
| 36 | C | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 166 | 173.6 | 59.7 | 0 | 0 | 0 | 0 | 111 | C14 L25 I26 L43 Y384 I390 | C14-C36 VanDerWaalsContact SG-SG 3.62Å; L25-C36 CarbonylContact O-C 3.59Å; L25-C36 VanDerWaalsContact O-CA 3.26Å; L25-C36 WeakPolarHBondContact O-CA 3.44Å; I26-C36 HydrophobicContact CG1-CB 4.24Å; C36-L43 PolarHBondContact N-O 3.06Å; C36-L43 PolarHBondContact O-N 3.38Å; C36-Y384 HydrophobicContact CB-CD2 4.41Å; C36-I390 HydrophobicContact CB-CD1 3.44Å; C36-I390 VanDerWaalsContact CB-CD1 3.44Å; C36-I390 VanDerWaalsContact SG-CD1 3.51Å |
| 37 | V | 92.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.9 | -178.8 | -171.5 | 0 | 0 | 0 | 0 | 111 | L17 L25 L42 I80 T83 Y384 | L17-V37 HydrophobicContact CD1-CB 4.1Å; L17-V37 HydrophobicContact CD1-CG1 3.86Å; L25-V37 HydrophobicContact CB-CB 4.24Å; L25-V37 HydrophobicContact CB-CG2 4.22Å; L25-V37 HydrophobicContact CD2-CB 4.06Å; L25-V37 HydrophobicContact CD2-CG1 4.41Å; L25-V37 HydrophobicContact CD2-CG2 3.99Å; L25-V37 PolarHBondContact O-N 2.91Å; V37-L42 HydrophobicContact CG2-CD1 4.48Å; V37-I80 HydrophobicContact CG1-CB 3.84Å; V37-I80 HydrophobicContact CG1-CG2 4.2Å; V37-I80 HydrophobicContact CG2-CB 4.29Å; V37-I80 HydrophobicContact CG2-CG2 3.72Å; V37-T83 HydrophobicContact CG2-CG2 3.81Å; V37-Y384 VanDerWaalsContact O-CE2 3.23Å; V37-Y384 WeakPolarHBondContact O-CE2 3.37Å; V37-Y384 PolarHBondContact O-OH 3.25Å; V37-Y384 VanDerWaalsContact O-OH 3.05Å |
| 38 | S | 89.6 | Confident | 90 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 167.7 | 172.6 | 64.5 | 0 | 0 | 0 | 0 | 110 | C14 L40 G41 | C14-S38 VanDerWaalsContact O-CA 3.24Å; C14-S38 WeakPolarHBondContact O-CA 3.36Å; C14-S38 WeakPolarHBondContact O-CB 3.33Å; S38-L40 PolarHBondContact O-N 3.09Å; S38-L40 PolarHBondContact OG-N 3.36Å; S38-G41 PolarHBondContact N-O 2.93Å; S38-G41 PolarHBondContact O-N 3.27Å; S38-G41 VanDerWaalsContact O-N 3.11Å; S38-G41 PolarHBondContact OG-N 2.61Å; S38-G41 PolarHBondContact OG-O 3.26Å |
| 39 | D | 83.8 | Confident | 89.7 | Confident | 106 Ų | 106 | 22.8 Ų | 22.8 | 57% | 0.567 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.2 | 169.7 | 62.1 | -41.4 | 0 | 0 | 0 | 113.1 | L17 | L17-D39 HydrophobicContact CD2-CB 4.43Š|
| 40 | L | 77.6 | Confident | 89.6 | Confident | 119 Ų | 119 | 23 Ų | 23 | 62% | 0.623 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -13.3 | 176.4 | -58.9 | 178.6 | 0 | 0 | 0 | 114.1 | S38 | S38-L40 PolarHBondContact O-N 3.09Å; S38-L40 PolarHBondContact OG-N 3.36Å |
| 41 | G | 89.7 | Confident | 89.7 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.8 | -150.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S38 | S38-G41 PolarHBondContact N-O 2.93Å; S38-G41 PolarHBondContact O-N 3.27Å; S38-G41 VanDerWaalsContact O-N 3.11Å; S38-G41 PolarHBondContact OG-N 2.61Å; S38-G41 PolarHBondContact OG-O 3.26Å |
| 42 | L | 93.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.5 | -177.3 | -173.9 | 85.7 | 0 | 0 | 0 | 111.1 | V35 V37 V74 I80 T83 L92 V94 | V35-L42 HydrophobicContact CB-CD1 3.99Å; V35-L42 HydrophobicContact CB-CD2 4.43Å; V35-L42 HydrophobicContact CB-CG 4.26Å; V35-L42 HydrophobicContact CG1-CD2 4.29Å; V35-L42 HydrophobicContact CG2-CD1 4.19Å; V37-L42 HydrophobicContact CG2-CD1 4.48Å; L42-V74 HydrophobicContact CB-CB 4.2Å; L42-V74 PolarHBondContact N-O 2.86Å; L42-V74 PolarHBondContact O-N 2.96Å; L42-I80 HydrophobicContact CB-CD1 4.02Å; L42-T83 HydrophobicContact CD1-CG2 3.57Å; L42-L92 HydrophobicContact CD2-CD2 3.57Å; L42-V94 HydrophobicContact CD1-CG2 4.49Å; L42-V94 HydrophobicContact CD2-CG2 4.15Å |
| 43 | L | 93.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.2 | 173.5 | -49.2 | -176.4 | 0 | 0 | 0 | 110 | C14 V35 C36 Y45 P70 V73 | C14-L43 HydrophobicContact CB-CD1 4.21Å; V35-L43 CarbonylContact C-O 3.59Å; V35-L43 WeakPolarHBondContact CA-O 3.36Å; C36-L43 PolarHBondContact N-O 3.06Å; C36-L43 PolarHBondContact O-N 3.38Å; L43-Y45 HydrophobicContact CB-CD2 4.45Å; L43-Y45 HydrophobicContact CB-CE2 3.74Å; L43-Y45 HydrophobicContact CD1-CE2 4.36Å; L43-P70 HydrophobicContact CB-CB 4.16Å; L43-P70 HydrophobicContact CD2-CG 4.28Å; L43-V73 HydrophobicContact CD2-CB 4.47Å; L43-V73 HydrophobicContact CD2-CG1 4.03Å; L43-V73 HydrophobicContact CD2-CG2 4.01Å |
| 44 | L | 94.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.7 | 176.3 | -177.7 | 155.4 | 0 | 0 | 0 | 110.6 | V35 N71 I72 L113 I416 | V35-L44 HydrophobicContact CG1-CB 3.89Å; V35-L44 HydrophobicContact CG1-CD1 3.95Å; V35-L44 HydrophobicContact CG1-CG 3.92Å; L44-N71 HydrophobicContact CD2-CB 4.41Å; L44-N71 WeakPolarHBondContact O-CB 3.49Å; L44-N71 PolarHBondContact O-N 3.31Å; L44-I72 HydrophobicContact CB-CB 4.17Å; L44-I72 HydrophobicContact CD2-CB 4.45Å; L44-I72 HydrophobicContact CD2-CD1 4.47Å; L44-I72 PolarHBondContact N-O 3.21Å; L44-I72 PolarHBondContact O-N 3.07Å; L44-L113 HydrophobicContact CD1-CD2 3.83Å; L44-I416 HydrophobicContact CD2-CG2 4.09Å |
| 45 | Y | 92.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 139.6 | -179 | -66.5 | -97.8 | 0 | 0 | 0 | 111.1 | F12 C33 F34 L43 H68 P70 N71 | F12-Y45 HydrophobicContact CD2-CE1 4.4Å; F12-Y45 HydrophobicContact CE2-CD2 4.44Å; F12-Y45 HydrophobicContact CE2-CE1 4.17Å; F12-Y45 AromaticContact CE2-CE2 3.96Å; F12-Y45 HydrophobicContact CE2-CE2 3.96Å; F12-Y45 AromaticContact CE2-CZ 3.81Å; C33-Y45 VanDerWaalsContact CA-O 3.27Å; C33-Y45 WeakPolarHBondContact CA-O 3.37Å; C33-Y45 WeakPolarHBondContact CB-O 3.28Å; F34-Y45 HydrophobicContact CD2-CD2 4.25Å; F34-Y45 AromaticContact CE2-CD2 3.55Å; F34-Y45 HydrophobicContact CE2-CD2 3.55Å; F34-Y45 HydrophobicContact CE2-CE2 4.41Å; F34-Y45 AromaticContact CE2-CG 3.72Å; F34-Y45 HydrophobicContact CE2-CG 3.72Å; F34-Y45 HydrophobicContact CZ-CD1 4.41Å; F34-Y45 HydrophobicContact CZ-CD2 4.05Å; F34-Y45 AromaticContact CZ-CG 3.72Å; F34-Y45 HydrophobicContact CZ-CG 3.72Å; F34-Y45 PolarHBondContact N-O 3.01Å; F34-Y45 PolarHBondContact O-N 2.89Å; L43-Y45 HydrophobicContact CB-CD2 4.45Å; L43-Y45 HydrophobicContact CB-CE2 3.74Å; L43-Y45 HydrophobicContact CD1-CE2 4.36Å; Y45-H68 AromaticContact CD1-CD2 3.81Å; Y45-H68 AromaticContact CD1-NE2 3.56Å; Y45-H68 AromaticContact CE1-CD2 3.62Å; Y45-H68 AromaticContact CE1-NE2 3.88Å; Y45-P70 HydrophobicContact CE1-CB 4.03Å; Y45-P70 HydrophobicContact CE2-CB 4.04Å; Y45-N71 WeakPolarHBondContact CA-OD1 3.35Å |
| 46 | D | 91.7 | Very high | 88.6 | Confident | 34 Ų | 34 | 37.9 Ų | 37.9 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 124.3 | 163.6 | 165.5 | 31.6 | 0 | 0 | 0 | 109.7 | K48 H49 Y50 N71 I416 | D46-K48 PolarHBondContact O-N 3.2Å; D46-K48 WeakPolarHBondContact OD1-CB 3.4Å; D46-K48 PolarHBondContact OD1-N 2.83Å; D46-H49 HydrophobicContact CB-CB 3.99Å; D46-H49 PolarHBondContact O-N 3.29Å; D46-H49 VanDerWaalsContact OD2-CB 3.26Å; D46-H49 WeakPolarHBondContact OD2-CB 3.39Å; D46-H49 PolarHBondContact OD2-N 2.99Å; D46-Y50 PolarHBondContact O-N 2.69Å; D46-N71 PolarHBondContact N-OD1 2.88Å; D46-I416 HydrophobicContact CB-CB 4.41Å; D46-I416 HydrophobicContact CB-CD1 4Å; D46-I416 HydrophobicContact CB-CG2 4.15Å |
| 47 | T | 90 | Very high | 88.1 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -32.1 | 179.7 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | G32 C33 L51 L366 Y380 | G32-T47 VanDerWaalsContact C-OG1 3.31Å; G32-T47 VanDerWaalsContact O-CB 3.3Å; G32-T47 WeakPolarHBondContact O-CB 3.17Å; G32-T47 PolarHBondContact O-N 2.82Å; G32-T47 PolarHBondContact O-OG1 3.25Å; C33-T47 WeakPolarHBondContact CA-OG1 3.44Å; T47-L51 HydrophobicContact CG2-CD1 4.07Å; T47-L51 HydrophobicContact CG2-CG 4.45Å; T47-L51 WeakPolarHBondContact O-CB 3.43Å; T47-L51 VanDerWaalsContact O-CG 3.22Å; T47-L51 WeakPolarHBondContact O-CG 3.37Å; T47-L51 PolarHBondContact O-N 3.11Å; T47-L366 HydrophobicContact CG2-CD2 4.1Å; T47-Y380 HydrophobicContact CG2-CD2 4.43Å; T47-Y380 HydrophobicContact CG2-CE1 3.92Å; T47-Y380 HydrophobicContact CG2-CE2 3.79Å; T47-Y380 VanDerWaalsContact CG2-CZ 3.49Å; T47-Y380 WeakPolarHBondContact CG2-OH 3.15Å; T47-Y380 PolarHBondContact OG1-OH 3.06Å |
| 48 | K | 87.2 | Confident | 87.6 | Confident | 78 Ų | 78 | 48.8 Ų | 48.8 | 34% | 0.339 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.4 | -54.1 | 177.7 | -65.1 | 179.9 | 177.8 | -178.7 | 0 | 110.8 | D46 Y50 L51 E52 L366 | D46-K48 PolarHBondContact O-N 3.2Å; D46-K48 WeakPolarHBondContact OD1-CB 3.4Å; D46-K48 PolarHBondContact OD1-N 2.83Å; K48-Y50 VanDerWaalsContact C-N 3.3Å; K48-Y50 PolarHBondContact O-N 3.28Å; K48-L51 PolarHBondContact O-N 3.13Å; K48-E52 WeakPolarHBondContact O-CG 3.19Å; K48-E52 PolarHBondContact O-N 3.09Å; K48-L366 HydrophobicContact CG-CD1 4.33Å; K48-L366 HydrophobicContact CG-CD2 4.23Å |
| 49 | H | 86.8 | Confident | 87.2 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 21% | 0.213 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.7 | -42.4 | 175.9 | -177.5 | -129.2 | 0 | 0 | 0 | 113 | D46 E52 A53 H68 | D46-H49 HydrophobicContact CB-CB 3.99Å; D46-H49 PolarHBondContact O-N 3.29Å; D46-H49 VanDerWaalsContact OD2-CB 3.26Å; D46-H49 WeakPolarHBondContact OD2-CB 3.39Å; D46-H49 PolarHBondContact OD2-N 2.99Å; H49-E52 PolarHBondContact O-N 2.87Å; H49-A53 WeakPolarHBondContact O-CB 3.41Å; H49-A53 PolarHBondContact O-N 2.85Å; H49-H68 AromaticContact CE1-CE1 3.85Å; H49-H68 AromaticContact ND1-CE1 3.71Å |
| 50 | Y | 89.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 173.9 | 168.8 | -95.7 | 0 | 0 | 0 | 112.3 | L9 H10 F12 F34 D46 K48 T54 L65 H68 P392 | L9-Y50 HydrophobicContact CD1-CE1 4.23Å; H10-Y50 PolarHBondContact N-OH 3.31Å; H10-Y50 PolarHBondContact O-OH 3.47Å; F12-Y50 HydrophobicContact CD1-CD2 4.14Å; F12-Y50 AromaticContact CD1-CE2 3.54Å; F12-Y50 HydrophobicContact CD1-CE2 3.54Å; F12-Y50 AromaticContact CE1-CD2 3.98Å; F12-Y50 HydrophobicContact CE1-CD2 3.98Å; F12-Y50 AromaticContact CE1-CE2 3.62Å; F12-Y50 HydrophobicContact CE1-CE2 3.62Å; F34-Y50 HydrophobicContact CE1-CG 4.28Å; F34-Y50 HydrophobicContact CZ-CG 4.36Å; D46-Y50 PolarHBondContact O-N 2.69Å; K48-Y50 VanDerWaalsContact C-N 3.3Å; K48-Y50 PolarHBondContact O-N 3.28Å; Y50-T54 HydrophobicContact CE1-CG2 4.39Å; Y50-T54 VanDerWaalsContact CE2-OG1 3.24Å; Y50-T54 WeakPolarHBondContact CE2-OG1 3.19Å; Y50-T54 WeakPolarHBondContact O-CB 3.36Å; Y50-T54 PolarHBondContact O-N 3.29Å; Y50-T54 PolarHBondContact O-OG1 3.19Å; Y50-T54 PolarHBondContact OH-OG1 3.06Å; Y50-T54 VanDerWaalsContact OH-OG1 3.1Å; Y50-L65 HydrophobicContact CD2-CD2 4.19Å; Y50-L65 HydrophobicContact CE2-CD2 3.94Å; Y50-H68 AromaticContact CD2-CD2 3.93Å; Y50-H68 AromaticContact CD2-NE2 3.68Å; Y50-P392 HydrophobicContact CE1-CB 4.3Å; Y50-P392 HydrophobicContact CE1-CG 4.09Å; Y50-P392 HydrophobicContact CE2-CG 4.49Å; Y50-P392 WeakPolarHBondContact OH-CG 3.24Å |
| 51 | L | 87.3 | Confident | 86.9 | Confident | 39 Ų | 39 | 55 Ų | 55 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 179.3 | -73.4 | 172.5 | 0 | 0 | 0 | 112.6 | L9 T47 K48 T54 G55 L366 L378 | L9-L51 HydrophobicContact CD1-CD2 3.65Å; T47-L51 HydrophobicContact CG2-CD1 4.07Å; T47-L51 HydrophobicContact CG2-CG 4.45Å; T47-L51 WeakPolarHBondContact O-CB 3.43Å; T47-L51 VanDerWaalsContact O-CG 3.22Å; T47-L51 WeakPolarHBondContact O-CG 3.37Å; T47-L51 PolarHBondContact O-N 3.11Å; K48-L51 PolarHBondContact O-N 3.13Å; L51-T54 CarbonylContact O-C 3.59Å; L51-T54 PolarHBondContact O-N 2.82Å; L51-G55 PolarHBondContact O-N 3.02Å; L51-L366 HydrophobicContact CD1-CD2 3.56Å; L51-L378 HydrophobicContact CD1-CD1 4.31Å |
| 52 | E | 85.9 | Confident | 85.9 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -54 | 174.9 | -74.1 | 170.7 | -165.2 | 0 | 0 | 111.1 | K48 H49 T54 G55 I56 | K48-E52 WeakPolarHBondContact O-CG 3.19Å; K48-E52 PolarHBondContact O-N 3.09Å; H49-E52 PolarHBondContact O-N 2.87Å; E52-T54 PolarHBondContact O-N 2.74Å; E52-G55 PolarHBondContact O-N 3.43Å; E52-I56 WeakPolarHBondContact O-CG1 3.32Å; E52-I56 PolarHBondContact O-N 2.97Å |
| 53 | A | 86.4 | Confident | 84.9 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H49 G55 I56 C57 L65 | H49-A53 WeakPolarHBondContact O-CB 3.41Å; H49-A53 PolarHBondContact O-N 2.85Å; A53-G55 VanDerWaalsContact C-N 3.3Å; A53-G55 PolarHBondContact O-N 2.63Å; A53-I56 PolarHBondContact O-N 2.92Å; A53-C57 WeakPolarHBondContact O-CB 3.23Å; A53-C57 PolarHBondContact O-N 3.11Å; A53-L65 HydrophobicContact CB-CD1 4.5Å; A53-L65 HydrophobicContact CB-CD2 3.98Å |
| 54 | T | 86.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.4 | -22 | 177.1 | -70.3 | 0 | 0 | 0 | 0 | 114.3 | L9 H10 Y50 L51 E52 R61 | L9-T54 HydrophobicContact CB-CG2 3.82Å; L9-T54 HydrophobicContact CD1-CG2 4.48Å; L9-T54 HydrophobicContact CD2-CG2 3.93Å; L9-T54 HydrophobicContact CG-CG2 4.28Å; H10-T54 HydrophobicContact CB-CG2 4.49Å; H10-T54 WeakPolarHBondContact CE1-CA 3.37Å; H10-T54 VanDerWaalsContact CE1-CG2 3.48Å; H10-T54 WeakPolarHBondContact CE1-CG2 3.21Å; H10-T54 PolarHBondContact CE1-O 2.91Å; H10-T54 PolarHBondContact ND1-O 3.16Å; Y50-T54 HydrophobicContact CE1-CG2 4.39Å; Y50-T54 VanDerWaalsContact CE2-OG1 3.24Å; Y50-T54 WeakPolarHBondContact CE2-OG1 3.19Å; Y50-T54 WeakPolarHBondContact O-CB 3.36Å; Y50-T54 PolarHBondContact O-N 3.29Å; Y50-T54 PolarHBondContact O-OG1 3.19Å; Y50-T54 PolarHBondContact OH-OG1 3.06Å; Y50-T54 VanDerWaalsContact OH-OG1 3.1Å; L51-T54 CarbonylContact O-C 3.59Å; L51-T54 PolarHBondContact O-N 2.82Å; E52-T54 PolarHBondContact O-N 2.74Å; T54-R61 PolarHBondContact O-NH1 2.86Å; T54-R61 PolarHBondContact O-NH2 3.01Å |
| 55 | G | 84 | Confident | 83.7 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 62% | 0.619 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -84.8 | -37.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L51 E52 A53 | L51-G55 PolarHBondContact O-N 3.02Å; E52-G55 PolarHBondContact O-N 3.43Å; A53-G55 VanDerWaalsContact C-N 3.3Å; A53-G55 PolarHBondContact O-N 2.63Å |
| 56 | I | 83.7 | Confident | 82.7 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 68% | 0.682 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -75.8 | -33.3 | -179.2 | -64.9 | 163 | 0 | 0 | 0 | 112.1 | E52 A53 K58 | E52-I56 WeakPolarHBondContact O-CG1 3.32Å; E52-I56 PolarHBondContact O-N 2.97Å; A53-I56 PolarHBondContact O-N 2.92Å; I56-K58 PolarHBondContact O-N 2.81Å |
| 57 | C | 83.1 | Confident | 81.5 | Confident | 23 Ų | 23 | 75.7 Ų | 75.7 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | trans | -63.1 | 124.2 | -177 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | H10 A53 L65 | H10-C57 VanDerWaalsContact NE2-C 3.26Å; H10-C57 VanDerWaalsContact NE2-CB 3.29Å; H10-C57 WeakPolarHBondContact NE2-CB 3.41Å; H10-C57 PolarHBondContact NE2-O 2.79Å; A53-C57 WeakPolarHBondContact O-CB 3.23Å; A53-C57 PolarHBondContact O-N 3.11Å; C57-L65 HydrophobicContact CB-CD1 3.48Å; C57-L65 VanDerWaalsContact CB-CD1 3.48Å | ||
| 58 | K | 81.8 | Confident | 81.1 | Confident | 207 Ų | 207 | 76.8 Ų | 76.8 | 90% | 0.9 | 39% | 0.389 | S | S | * | . | trans | -91.4 | 1.2 | -178.3 | -61.6 | -176.9 | -179.6 | 178.3 | 0 | 114.4 | I56 | I56-K58 PolarHBondContact O-N 2.81Š| ||
| 59 | L | 81.3 | Confident | 80.9 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -69.2 | 167.1 | 173.7 | -61.9 | -176.8 | 0 | 0 | 0 | 110.6 | K63 P66 | L59-K63 HydrophobicContact CB-CB 4.3Å; L59-K63 HydrophobicContact CD1-CB 4.18Å; L59-P66 HydrophobicContact CD1-CG 4.14Å |
| 60 | R | 78.4 | Confident | 81 | Confident | 201 Ų | 201 | 75.6 Ų | 75.6 | 76% | 0.758 | 39% | 0.392 | S | S | * | . | trans | -76.3 | 153.5 | 168.3 | -61.6 | -178.9 | 179.3 | 138.1 | -1.3 | 109.7 | D62 K63 | R60-D62 WeakPolarHBondContact CB-OD1 3.45Å; R60-D62 PolarHBondContact O-N 3.35Å; R60-K63 PolarHBondContact O-N 2.9Å | ||
| 61 | R | 77.3 | Confident | 81.1 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 27% | 0.268 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.7 | -174.3 | -58.4 | -71.1 | 162.3 | 178.2 | -10.3 | 113.9 | H10 T54 K63 | H10-R61 PolarHBondContact CE1-NH1 3.31Å; H10-R61 PolarHBondContact ND1-NH1 2.97Å; H10-R61 PolarHBondContact NE2-NH2 3.45Å; T54-R61 PolarHBondContact O-NH1 2.86Å; T54-R61 PolarHBondContact O-NH2 3.01Å; R61-K63 PolarHBondContact O-N 2.97Å |
| 62 | D | 69.2 | Low | 81.3 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 1.2 | 171.5 | 66.5 | -74.7 | 0 | 0 | 0 | 114.2 | R60 | R60-D62 WeakPolarHBondContact CB-OD1 3.45Å; R60-D62 PolarHBondContact O-N 3.35Å |
| 63 | K | 72.9 | Confident | 81.6 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 46% | 0.457 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -112.2 | 137.7 | 171.7 | -64.9 | -72.1 | 150.6 | -68.7 | 0 | 109.1 | L59 R60 R61 | L59-K63 HydrophobicContact CB-CB 4.3Å; L59-K63 HydrophobicContact CD1-CB 4.18Å; R60-K63 PolarHBondContact O-N 2.9Å; R61-K63 PolarHBondContact O-N 2.97Å |
| 64 | P | 77.4 | Confident | 81.9 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | trans | -63.8 | 152 | 177.5 | 28.2 | -34.7 | 0 | 0 | 0 | 110.4 | Q11 P66 | Q11-P64 CarbonylContact O-C 3.59Å; Q11-P64 WeakPolarHBondContact O-CA 3.43Å; P64-P66 VanDerWaalsContact O-CD 3.27Å; P64-P66 WeakPolarHBondContact O-CD 3.33Å | ||
| 65 | L | 83.7 | Confident | 82.2 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | trans | -63.3 | 111 | 172.7 | -170.8 | 63.8 | 0 | 0 | 0 | 108.5 | H10 Q11 F12 Y50 A53 C57 H68 | H10-L65 HydrophobicContact CB-CB 3.92Å; H10-L65 HydrophobicContact CB-CD1 4.3Å; Q11-L65 PolarHBondContact O-N 2.92Å; F12-L65 HydrophobicContact CB-CB 4.46Å; Y50-L65 HydrophobicContact CD2-CD2 4.19Å; Y50-L65 HydrophobicContact CE2-CD2 3.94Å; A53-L65 HydrophobicContact CB-CD1 4.5Å; A53-L65 HydrophobicContact CB-CD2 3.98Å; C57-L65 HydrophobicContact CB-CD1 3.48Å; C57-L65 VanDerWaalsContact CB-CD1 3.48Å; L65-H68 HydrophobicContact CB-CB 4.39Å; L65-H68 HydrophobicContact CD2-CB 3.63Å; L65-H68 HydrophobicContact CG-CB 3.87Å | ||
| 66 | P | 72.1 | Confident | 82.5 | Confident | 67 Ų | 67 | 70 Ų | 70 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 146.3 | -177.2 | 29.2 | -34.6 | 0 | 0 | 0 | 110.1 | L59 P64 H68 | L59-P66 HydrophobicContact CD1-CG 4.14Å; P64-P66 VanDerWaalsContact O-CD 3.27Å; P64-P66 WeakPolarHBondContact O-CD 3.33Å; P66-H68 PolarHBondContact O-N 2.71Å |
| 67 | D | 66.5 | Low | 82.7 | Confident | 158 Ų | 158 | 70.6 Ų | 70.6 | 85% | 0.845 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 17.1 | 168.7 | -45.5 | -43 | 0 | 0 | 0 | 116.1 | T69 | D67-T69 PolarHBondContact O-N 2.97Š|
| 68 | H | 81 | Confident | 82.9 | Confident | 24 Ų | 24 | 70.2 Ų | 70.2 | 11% | 0.111 | 36% | 0.363 | C | S | . | . | trans | -77.1 | 84.9 | 179 | -166.5 | 65 | 0 | 0 | 0 | 112.3 | Y45 H49 Y50 L65 P66 | Y45-H68 AromaticContact CD1-CD2 3.81Å; Y45-H68 AromaticContact CD1-NE2 3.56Å; Y45-H68 AromaticContact CE1-CD2 3.62Å; Y45-H68 AromaticContact CE1-NE2 3.88Å; H49-H68 AromaticContact CE1-CE1 3.85Å; H49-H68 AromaticContact ND1-CE1 3.71Å; Y50-H68 AromaticContact CD2-CD2 3.93Å; Y50-H68 AromaticContact CD2-NE2 3.68Å; L65-H68 HydrophobicContact CB-CB 4.39Å; L65-H68 HydrophobicContact CD2-CB 3.63Å; L65-H68 HydrophobicContact CG-CB 3.87Å; P66-H68 PolarHBondContact O-N 2.71Å | ||
| 69 | T | 84.4 | Confident | 83.2 | Confident | 67 Ų | 67 | 64.1 Ų | 64.1 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | trans | -69.2 | 145.1 | 177.6 | 42.4 | 0 | 0 | 0 | 0 | 112.7 | D67 P419 | D67-T69 PolarHBondContact O-N 2.97Å; T69-P419 WeakPolarHBondContact OG1-CB 3.33Å | ||
| 70 | P | 88.5 | Confident | 83.7 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 21% | 0.208 | 33% | 0.326 | C | S | . | . | trans | -64.4 | 151.1 | 173.3 | 28.7 | -36 | 0 | 0 | 0 | 111.8 | L43 Y45 V73 | L43-P70 HydrophobicContact CB-CB 4.16Å; L43-P70 HydrophobicContact CD2-CG 4.28Å; Y45-P70 HydrophobicContact CE1-CB 4.03Å; Y45-P70 HydrophobicContact CE2-CB 4.04Å; P70-V73 HydrophobicContact CB-CG2 4.28Å; P70-V73 HydrophobicContact CG-CG2 3.56Å | ||
| 71 | N | 90.4 | Very high | 84.2 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -73.2 | -38.2 | 176.1 | -69.7 | 85.9 | 0 | 0 | 0 | 112 | L44 Y45 D46 I416 P417 | L44-N71 HydrophobicContact CD2-CB 4.41Å; L44-N71 WeakPolarHBondContact O-CB 3.49Å; L44-N71 PolarHBondContact O-N 3.31Å; Y45-N71 WeakPolarHBondContact CA-OD1 3.35Å; D46-N71 PolarHBondContact N-OD1 2.88Å; N71-I416 HydrophobicContact CB-CG2 3.59Å; N71-P417 PolarHBondContact ND2-O 2.97Å |
| 72 | I | 91.8 | Very high | 85 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 141.1 | 176.9 | -62.8 | 177.2 | 0 | 0 | 0 | 109 | L44 V74 L113 V114 G117 P417 | L44-I72 HydrophobicContact CB-CB 4.17Å; L44-I72 HydrophobicContact CD2-CB 4.45Å; L44-I72 HydrophobicContact CD2-CD1 4.47Å; L44-I72 PolarHBondContact N-O 3.21Å; L44-I72 PolarHBondContact O-N 3.07Å; I72-V74 HydrophobicContact CG2-CG2 4.22Å; I72-L113 HydrophobicContact CD1-CG 4.44Å; I72-L113 HydrophobicContact CG2-CD1 3.84Å; I72-L113 HydrophobicContact CG2-CG 4.32Å; I72-V114 HydrophobicContact CD1-CG2 4.38Å; I72-G117 WeakPolarHBondContact CG2-O 3.48Å; I72-P417 HydrophobicContact CD1-CG 3.96Å; I72-P417 HydrophobicContact CG1-CG 3.75Å |
| 73 | V | 92.7 | Very high | 86.2 | Confident | 38 Ų | 38 | 46 Ų | 46 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.9 | 173.9 | -179 | 0 | 0 | 0 | 0 | 109.3 | L43 P70 S118 T119 | L43-V73 HydrophobicContact CD2-CB 4.47Å; L43-V73 HydrophobicContact CD2-CG1 4.03Å; L43-V73 HydrophobicContact CD2-CG2 4.01Å; P70-V73 HydrophobicContact CB-CG2 4.28Å; P70-V73 HydrophobicContact CG-CG2 3.56Å; V73-S118 PolarHBondContact N-OG 2.85Å; V73-S118 CarbonylContact O-C 3.55Å; V73-S118 WeakPolarHBondContact O-CA 3.46Å; V73-S118 VanDerWaalsContact O-CB 3.23Å; V73-S118 WeakPolarHBondContact O-CB 3.47Å; V73-T119 PolarHBondContact O-N 3.18Å; V73-T119 VanDerWaalsContact O-N 3.15Å |
| 74 | V | 93.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 102.3 | 174.1 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | L42 I72 L113 T119 L121 | L42-V74 HydrophobicContact CB-CB 4.2Å; L42-V74 PolarHBondContact N-O 2.86Å; L42-V74 PolarHBondContact O-N 2.96Å; I72-V74 HydrophobicContact CG2-CG2 4.22Å; V74-L113 HydrophobicContact CG2-CD1 3.43Å; V74-L113 VanDerWaalsContact CG2-CD1 3.43Å; V74-L113 HydrophobicContact CG2-CD2 4.19Å; V74-L113 HydrophobicContact CG2-CG 4.45Å; V74-T119 CarbonylContact C-O 3.53Å; V74-T119 WeakPolarHBondContact CA-O 3.44Å; V74-L121 HydrophobicContact CG1-CB 4.05Å; V74-L121 HydrophobicContact CG1-CD1 4.38Å |
| 75 | S | 92.6 | Very high | 88.1 | Confident | 49 Ų | 49 | 39.8 Ų | 39.8 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 141.4 | -178.3 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | T119 L121 | S75-T119 PolarHBondContact N-O 3.3Å; S75-L121 WeakPolarHBondContact O-CB 3.46Å; S75-L121 PolarHBondContact O-N 3.16Å |
| 76 | S | 90.8 | Very high | 88.6 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -133.5 | 137 | 175.2 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | D78 L121 | S76-D78 WeakPolarHBondContact CB-O 3.36Å; S76-D78 PolarHBondContact OG-O 3.48Å; S76-L121 WeakPolarHBondContact OG-CD2 3.37Å | ||
| 77 | V | 86.6 | Confident | 89.4 | Confident | 144 Ų | 144 | 38.3 Ų | 38.3 | 87% | 0.873 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -85.5 | -31.4 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 78 | D | 86.9 | Confident | 90.4 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -93.8 | 145 | 171.2 | -65.6 | -64.6 | 0 | 0 | 0 | 109.9 | S76 I80 T96 S98 R101 | S76-D78 WeakPolarHBondContact CB-O 3.36Å; S76-D78 PolarHBondContact OG-O 3.48Å; D78-I80 PolarHBondContact O-N 2.86Å; D78-T96 HydrophobicContact CB-CG2 4.05Å; D78-S98 WeakPolarHBondContact OD1-CB 3.49Å; D78-S98 PolarHBondContact OD1-OG 2.66Å; D78-R101 WeakPolarHBondContact OD1-CD 3.32Å; D78-R101 WeakPolarHBondContact OD2-CD 3.49Å; D78-R101 IonicContact OD2-CZ 2.88Å; D78-R101 IonicContact OD2-NE 2.94Å; D78-R101 PolarHBondContact OD2-NE 3.18Å; D78-R101 IonicContact OD2-NH1 3.76Å; D78-R101 PolarHBondContact OD2-NH1 2.84Å; D78-R101 IonicContact OD2-NH2 2.7Å |
| 79 | P | 88.1 | Confident | 90.9 | Very high | 79 Ų | 79 | 31.8 Ų | 31.8 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 132.7 | 178.2 | 27.5 | -34.4 | 0 | 0 | 0 | 110.7 | T96 S97 | P79-T96 WeakPolarHBondContact O-CA 3.46Å; P79-S97 WeakPolarHBondContact CG-O 3.14Å; P79-S97 PolarHBondContact O-N 2.99Å |
| 80 | I | 91.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 123.9 | 176 | -59.8 | 169.1 | 0 | 0 | 0 | 108.1 | V37 L42 D78 T83 V94 L95 T96 | V37-I80 HydrophobicContact CG1-CB 3.84Å; V37-I80 HydrophobicContact CG1-CG2 4.2Å; V37-I80 HydrophobicContact CG2-CB 4.29Å; V37-I80 HydrophobicContact CG2-CG2 3.72Å; L42-I80 HydrophobicContact CB-CD1 4.02Å; D78-I80 PolarHBondContact O-N 2.86Å; I80-T83 HydrophobicContact CG2-CG2 4.08Å; I80-V94 HydrophobicContact CB-CG1 4.36Å; I80-V94 HydrophobicContact CD1-CG1 3.72Å; I80-V94 HydrophobicContact CG1-CG1 3.76Å; I80-V94 HydrophobicContact CG2-CG1 3.69Å; I80-L95 WeakPolarHBondContact CA-O 3.48Å; I80-T96 HydrophobicContact CG1-CG2 3.87Å |
| 81 | I | 89.8 | Confident | 91.4 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 16% | 0.159 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -23.6 | -177.6 | 55.8 | 154.9 | 0 | 0 | 0 | 113.3 | S23 S24 L95 S97 L140 | S23-I81 WeakPolarHBondContact CA-O 3.3Å; S23-I81 WeakPolarHBondContact CB-O 3.37Å; S24-I81 PolarHBondContact N-O 2.78Å; S24-I81 VanDerWaalsContact N-O 3.09Å; I81-L95 HydrophobicContact CG1-CB 4.21Å; I81-L95 WeakPolarHBondContact CG1-O 3.1Å; I81-L95 PolarHBondContact N-O 3Å; I81-S97 WeakPolarHBondContact CD1-OG 3.16Å; I81-L140 HydrophobicContact CD1-CB 3.42Å; I81-L140 VanDerWaalsContact CD1-CB 3.42Å; I81-L140 HydrophobicContact CD1-CD2 3.65Å; I81-L140 HydrophobicContact CD1-CG 4.19Å; I81-L140 HydrophobicContact CG1-CD2 4.44Å |
| 82 | W | 93.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 29.4 Ų | 29.4 | 8% | 0.076 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 132.9 | -175 | -158.7 | -68.9 | 0 | 0 | 0 | 111 | S24 L95 L140 F143 | S24-W82 VanDerWaalsContact CB-CD2 3.48Å; S24-W82 VanDerWaalsContact CB-CE2 3.48Å; S24-W82 CarbonylContact O-C 3.43Å; S24-W82 WeakPolarHBondContact O-CA 3.41Å; W82-L95 HydrophobicContact CB-CB 4.02Å; W82-L95 HydrophobicContact CB-CD1 4.36Å; W82-L95 HydrophobicContact CB-CD2 4.4Å; W82-L95 HydrophobicContact CB-CG 4.47Å; W82-L95 PolarHBondContact O-N 3.1Å; W82-L140 HydrophobicContact CB-CD2 3.78Å; W82-L140 HydrophobicContact CD2-CD2 3.91Å; W82-L140 HydrophobicContact CE3-CD2 3.65Å; W82-L140 HydrophobicContact CG-CD2 4.03Å; W82-L140 HydrophobicContact CZ3-CD2 4.43Å; W82-F143 HydrophobicContact CD2-CB 4.29Å; W82-F143 HydrophobicContact CG-CB 4.45Å; W82-F143 HydrophobicContact CZ2-CB 4.22Å; W82-F143 AromaticContact NE1-CD1 3.84Å |
| 83 | T | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145.4 | 170.2 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | S24 S27 V37 L42 I80 A93 | S24-T83 PolarHBondContact O-N 2.97Å; S24-T83 PolarHBondContact O-OG1 2.92Å; S27-T83 PolarHBondContact OG-O 3.01Å; S27-T83 PolarHBondContact OG-OG1 2.74Å; V37-T83 HydrophobicContact CG2-CG2 3.81Å; L42-T83 HydrophobicContact CD1-CG2 3.57Å; I80-T83 HydrophobicContact CG2-CG2 4.08Å; T83-A93 WeakPolarHBondContact CA-O 3.43Å |
| 84 | A | 95.5 | Very high | 92 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 131.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A93 F143 W145 | A84-A93 PolarHBondContact N-O 3.46Å; A84-A93 PolarHBondContact O-N 2.77Å; A84-F143 HydrophobicContact CB-CD1 4.06Å; A84-F143 HydrophobicContact CB-CE1 3.8Å; A84-W145 PolarHBondContact O-NE1 2.99Å |
| 85 | F | 94.5 | Very high | 92 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 11% | 0.105 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 145.7 | 168.9 | -67.3 | -76.3 | 0 | 0 | 0 | 111.6 | I28 C29 V35 I91 L92 V110 | I28-F85 VanDerWaalsContact O-CD2 3.31Å; I28-F85 WeakPolarHBondContact O-CD2 2.99Å; C29-F85 HydrophobicContact CB-CD1 4.29Å; C29-F85 HydrophobicContact CB-CD2 4.08Å; C29-F85 HydrophobicContact CB-CE1 3.99Å; C29-F85 HydrophobicContact CB-CE2 3.75Å; C29-F85 HydrophobicContact CB-CG 4.34Å; C29-F85 HydrophobicContact CB-CZ 3.71Å; V35-F85 HydrophobicContact CG1-CZ 3.98Å; V35-F85 HydrophobicContact CG2-CE2 3.85Å; V35-F85 HydrophobicContact CG2-CZ 3.92Å; F85-I91 WeakPolarHBondContact CA-O 3.42Å; F85-L92 HydrophobicContact CD1-CB 3.97Å; F85-L92 HydrophobicContact CD1-CD1 3.91Å; F85-L92 HydrophobicContact CD2-CD1 4.28Å; F85-L92 HydrophobicContact CE1-CB 3.84Å; F85-L92 HydrophobicContact CE1-CD1 3.83Å; F85-L92 HydrophobicContact CE1-CD2 4.43Å; F85-L92 HydrophobicContact CE1-CG 4.23Å; F85-L92 HydrophobicContact CE2-CD1 4.22Å; F85-L92 HydrophobicContact CG-CD1 4.13Å; F85-L92 HydrophobicContact CZ-CD1 4Å; F85-V110 HydrophobicContact CD1-CG2 4.13Å; F85-V110 HydrophobicContact CE1-CG2 3.64Å |
| 86 | N | 93.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | trans | -70.5 | 170.7 | 168.6 | 72.2 | -26.9 | 0 | 0 | 0 | 111.8 | D88 G89 L90 I91 W145 P150 | N86-D88 VanDerWaalsContact CG-OD1 3.23Å; N86-D88 PolarHBondContact ND2-OD1 2.66Å; N86-D88 PolarHBondContact O-N 2.96Å; N86-D88 VanDerWaalsContact O-N 3.13Å; N86-D88 PolarHBondContact OD1-OD1 3.07Å; N86-G89 PolarHBondContact O-N 3.44Å; N86-G89 PolarHBondContact OD1-N 3.42Å; N86-L90 PolarHBondContact OD1-N 3.04Å; N86-L90 VanDerWaalsContact OD1-N 3.17Å; N86-I91 HydrophobicContact CB-CB 4.44Å; N86-I91 PolarHBondContact N-O 3.01Å; N86-I91 PolarHBondContact OD1-N 2.91Å; N86-I91 PolarHBondContact OD1-O 2.89Å; N86-I91 VanDerWaalsContact OD1-O 3.12Å; N86-W145 HydrophobicContact CB-CD2 3.69Å; N86-W145 HydrophobicContact CB-CE3 3.82Å; N86-W145 HydrophobicContact CB-CG 4.19Å; N86-W145 HydrophobicContact CB-CH2 4.28Å; N86-W145 HydrophobicContact CB-CZ2 4.09Å; N86-W145 HydrophobicContact CB-CZ3 4.15Å; N86-P150 WeakPolarHBondContact ND2-CB 3.11Å; N86-P150 PolarHBondContact ND2-O 2.85Å | ||
| 87 | C | 89.4 | Confident | 91.8 | Very high | 43 Ų | 43 | 24.6 Ų | 24.6 | 29% | 0.291 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.5 | -171 | 70 | 0 | 0 | 0 | 0 | 115.8 | S146 P150 | C87-S146 WeakPolarHBondContact CB-O 3.29Å; C87-P150 VanDerWaalsContact SG-N 3.38Å |
| 88 | D | 88.2 | Confident | 91.7 | Very high | 45 Ų | 45 | 18.8 Ų | 18.8 | 24% | 0.241 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -7.1 | 170.7 | 67.4 | 26.2 | 0 | 0 | 0 | 113.6 | H31 N86 L90 P150 | H31-D88 PolarHBondContact NE2-O 3.03Å; N86-D88 VanDerWaalsContact CG-OD1 3.23Å; N86-D88 PolarHBondContact ND2-OD1 2.66Å; N86-D88 PolarHBondContact O-N 2.96Å; N86-D88 VanDerWaalsContact O-N 3.13Å; N86-D88 PolarHBondContact OD1-OD1 3.07Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 3.1Å; D88-L90 VanDerWaalsContact OD1-CB 3.31Å; D88-L90 WeakPolarHBondContact OD1-CB 3.46Å; D88-L90 PolarHBondContact OD1-N 3.23Å; D88-P150 HydrophobicContact CB-CB 4.27Å; D88-P150 WeakPolarHBondContact OD2-CB 3.48Å |
| 89 | G | 90.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 77 | 3.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | C29 N86 | C29-G89 PolarHBondContact SG-O 3.1Å; N86-G89 PolarHBondContact O-N 3.44Å; N86-G89 PolarHBondContact OD1-N 3.42Å |
| 90 | L | 90.9 | Very high | 91 | Very high | 39 Ų | 39 | 26.2 Ų | 26.2 | 20% | 0.204 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -94.9 | -21.6 | -173.9 | -59.8 | 176.6 | 0 | 0 | 0 | 113.8 | N86 D88 N109 V110 V111 I412 | N86-L90 PolarHBondContact OD1-N 3.04Å; N86-L90 VanDerWaalsContact OD1-N 3.17Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 3.1Å; D88-L90 VanDerWaalsContact OD1-CB 3.31Å; D88-L90 WeakPolarHBondContact OD1-CB 3.46Å; D88-L90 PolarHBondContact OD1-N 3.23Å; L90-N109 PolarHBondContact O-OD1 3.43Å; L90-V110 WeakPolarHBondContact O-CB 3.43Å; L90-V110 WeakPolarHBondContact O-CG2 3.43Å; L90-V110 PolarHBondContact O-N 2.99Å; L90-V111 HydrophobicContact CD2-CG2 4.05Å; L90-I412 HydrophobicContact CD1-CD1 4.06Å; L90-I412 HydrophobicContact CD2-CD1 3.93Å; L90-I412 HydrophobicContact CG-CD1 4.48Å |
| 91 | I | 93.4 | Very high | 90.5 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 11% | 0.108 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.3 | 177.6 | -55.2 | -59.8 | 0 | 0 | 0 | 110 | F85 N86 L107 L108 N109 W145 F167 | F85-I91 WeakPolarHBondContact CA-O 3.42Å; N86-I91 HydrophobicContact CB-CB 4.44Å; N86-I91 PolarHBondContact N-O 3.01Å; N86-I91 PolarHBondContact OD1-N 2.91Å; N86-I91 PolarHBondContact OD1-O 2.89Å; N86-I91 VanDerWaalsContact OD1-O 3.12Å; I91-L107 HydrophobicContact CG2-CB 4.19Å; I91-L107 HydrophobicContact CG2-CD2 4.2Å; I91-L108 WeakPolarHBondContact CA-O 3.2Å; I91-N109 HydrophobicContact CD1-CB 4.05Å; I91-W145 HydrophobicContact CG2-CH2 4.46Å; I91-W145 HydrophobicContact CG2-CZ2 4.36Å; I91-F167 HydrophobicContact CB-CZ 4.12Å; I91-F167 HydrophobicContact CG1-CE2 4Å; I91-F167 HydrophobicContact CG1-CZ 3.73Å; I91-F167 HydrophobicContact CG2-CE2 4.4Å; I91-F167 HydrophobicContact CG2-CZ 4.02Å |
| 92 | L | 95.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.6 | 172.7 | 179.1 | 64.6 | 0 | 0 | 0 | 109.6 | V35 L42 F85 V94 L107 L108 V110 | V35-L92 HydrophobicContact CG1-CD2 4.21Å; V35-L92 HydrophobicContact CG2-CD1 4Å; V35-L92 HydrophobicContact CG2-CD2 4.07Å; L42-L92 HydrophobicContact CD2-CD2 3.57Å; F85-L92 HydrophobicContact CD1-CB 3.97Å; F85-L92 HydrophobicContact CD1-CD1 3.91Å; F85-L92 HydrophobicContact CD2-CD1 4.28Å; F85-L92 HydrophobicContact CE1-CB 3.84Å; F85-L92 HydrophobicContact CE1-CD1 3.83Å; F85-L92 HydrophobicContact CE1-CD2 4.43Å; F85-L92 HydrophobicContact CE1-CG 4.23Å; F85-L92 HydrophobicContact CE2-CD1 4.22Å; F85-L92 HydrophobicContact CG-CD1 4.13Å; F85-L92 HydrophobicContact CZ-CD1 4Å; L92-V94 HydrophobicContact CD2-CG2 3.75Å; L92-V94 HydrophobicContact CG-CG2 3.86Å; L92-L107 WeakPolarHBondContact O-CA 3.47Å; L92-L108 PolarHBondContact N-O 2.97Å; L92-L108 PolarHBondContact O-N 3.49Å; L92-V110 HydrophobicContact CB-CG2 4.36Å |
| 93 | A | 96.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 125.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T83 A84 L95 V105 L107 F143 W145 | T83-A93 WeakPolarHBondContact CA-O 3.43Å; A84-A93 PolarHBondContact N-O 3.46Å; A84-A93 PolarHBondContact O-N 2.77Å; A93-L95 HydrophobicContact CB-CD1 3.93Å; A93-V105 HydrophobicContact CB-CG1 4.08Å; A93-L107 HydrophobicContact CB-CD2 4.06Å; A93-F143 HydrophobicContact CB-CE1 4.11Å; A93-F143 HydrophobicContact CB-CE2 4.47Å; A93-F143 HydrophobicContact CB-CZ 3.7Å; A93-W145 HydrophobicContact CB-CZ2 3.87Å |
| 94 | V | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 108.6 | 170.6 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | L42 I80 L92 N106 L108 L121 | L42-V94 HydrophobicContact CD1-CG2 4.49Å; L42-V94 HydrophobicContact CD2-CG2 4.15Å; I80-V94 HydrophobicContact CB-CG1 4.36Å; I80-V94 HydrophobicContact CD1-CG1 3.72Å; I80-V94 HydrophobicContact CG1-CG1 3.76Å; I80-V94 HydrophobicContact CG2-CG1 3.69Å; L92-V94 HydrophobicContact CD2-CG2 3.75Å; L92-V94 HydrophobicContact CG-CG2 3.86Å; V94-N106 HydrophobicContact CB-CB 4.46Å; V94-N106 PolarHBondContact N-O 3.47Å; V94-N106 VanDerWaalsContact O-CB 3.25Å; V94-N106 WeakPolarHBondContact O-CB 3.16Å; V94-N106 PolarHBondContact O-N 2.85Å; V94-N106 PolarHBondContact O-ND2 2.97Å; V94-L108 HydrophobicContact CB-CD1 4.05Å; V94-L108 HydrophobicContact CG2-CD1 3.68Å; V94-L121 HydrophobicContact CB-CD1 4.22Å; V94-L121 HydrophobicContact CG1-CD1 4.15Å; V94-L121 HydrophobicContact CG1-CD2 4.08Å |
| 95 | L | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.7 | -177.8 | -73.5 | 73.8 | 0 | 0 | 0 | 110.4 | I80 I81 W82 A93 F104 V105 L140 F143 | I80-L95 WeakPolarHBondContact CA-O 3.48Å; I81-L95 HydrophobicContact CG1-CB 4.21Å; I81-L95 WeakPolarHBondContact CG1-O 3.1Å; I81-L95 PolarHBondContact N-O 3Å; W82-L95 HydrophobicContact CB-CB 4.02Å; W82-L95 HydrophobicContact CB-CD1 4.36Å; W82-L95 HydrophobicContact CB-CD2 4.4Å; W82-L95 HydrophobicContact CB-CG 4.47Å; W82-L95 PolarHBondContact O-N 3.1Å; A93-L95 HydrophobicContact CB-CD1 3.93Å; L95-F104 VanDerWaalsContact CA-O 3.28Å; L95-F104 WeakPolarHBondContact CA-O 3.2Å; L95-V105 HydrophobicContact CD1-CG1 4.34Å; L95-V105 HydrophobicContact CD1-CG2 4.19Å; L95-V105 HydrophobicContact CD2-CG2 3.89Å; L95-V105 HydrophobicContact CG-CB 4.39Å; L95-V105 HydrophobicContact CG-CG2 3.74Å; L95-L140 HydrophobicContact CD2-CD1 3.78Å; L95-L140 HydrophobicContact CD2-CD2 3.56Å; L95-L140 HydrophobicContact CD2-CG 4.31Å; L95-F143 HydrophobicContact CD1-CD2 4.02Å; L95-F143 HydrophobicContact CD1-CE2 4.02Å; L95-F143 HydrophobicContact CD1-CG 4.31Å; L95-F143 HydrophobicContact CD1-CZ 4.35Å; L95-F143 HydrophobicContact CD2-CB 4.27Å; L95-F143 HydrophobicContact CD2-CD2 3.68Å; L95-F143 HydrophobicContact CD2-CE2 4.32Å; L95-F143 HydrophobicContact CD2-CG 4.11Å; L95-F143 HydrophobicContact CG-CD2 4.46Å |
| 96 | T | 91.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.8 | 175 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | D78 P79 I80 T103 F104 N106 L121 | D78-T96 HydrophobicContact CB-CG2 4.05Å; P79-T96 WeakPolarHBondContact O-CA 3.46Å; I80-T96 HydrophobicContact CG1-CG2 3.87Å; T96-T103 WeakPolarHBondContact O-CA 3.43Å; T96-F104 PolarHBondContact N-O 3.45Å; T96-F104 PolarHBondContact O-N 3.01Å; T96-N106 PolarHBondContact OG1-ND2 3.48Å; T96-L121 HydrophobicContact CG2-CD2 3.85Å |
| 97 | S | 87.1 | Confident | 89.9 | Confident | 14 Ų | 14 | 27.7 Ų | 27.7 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 118.5 | -176.3 | -72.1 | 0 | 0 | 0 | 0 | 110.5 | P79 I81 T103 | P79-S97 WeakPolarHBondContact CG-O 3.14Å; P79-S97 PolarHBondContact O-N 2.99Å; I81-S97 WeakPolarHBondContact CD1-OG 3.16Å; S97-T103 WeakPolarHBondContact CB-OG1 3.45Å; S97-T103 WeakPolarHBondContact OG-CG2 3.19Å; S97-T103 PolarHBondContact OG-OG1 2.71Å |
| 98 | S | 84.2 | Confident | 90.1 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 135.9 | -175 | 170.8 | 0 | 0 | 0 | 0 | 109.5 | D78 S100 R101 G102 | D78-S98 WeakPolarHBondContact OD1-CB 3.49Å; D78-S98 PolarHBondContact OD1-OG 2.66Å; S98-S100 PolarHBondContact O-N 3.42Å; S98-S100 PolarHBondContact OG-OG 2.7Å; S98-R101 PolarHBondContact O-N 2.85Å; S98-R101 VanDerWaalsContact O-N 3.15Å; S98-G102 PolarHBondContact N-O 2.94Å; S98-G102 WeakPolarHBondContact O-CA 3.22Å; S98-G102 PolarHBondContact O-N 3.18Å |
| 99 | E | 80.4 | Confident | 90.3 | Very high | 145 Ų | 145 | 25.7 Ų | 25.7 | 68% | 0.678 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -36.4 | -175.5 | -70.8 | 179.1 | 174.4 | 0 | 0 | 112.7 | Y138 R139 | E99-Y138 HydrophobicContact CG-CE1 3.99Å; E99-Y138 VanDerWaalsContact CG-OH 3.22Å; E99-Y138 WeakPolarHBondContact CG-OH 2.95Å; E99-R139 IonicContact OE1-NH2 3.58Å |
| 100 | S | 80.2 | Confident | 90.3 | Very high | 106 Ų | 106 | 25.8 Ų | 25.8 | 74% | 0.741 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -30.7 | -179.2 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | S98 | S98-S100 PolarHBondContact O-N 3.42Å; S98-S100 PolarHBondContact OG-OG 2.7Å |
| 101 | R | 81.1 | Confident | 90.3 | Very high | 106 Ų | 106 | 26.2 Ų | 26.2 | 40% | 0.4 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -27.7 | -173.4 | -72.2 | -175.6 | 61.5 | 172.9 | -0.4 | 113.4 | D78 S98 F104 R129 | D78-R101 WeakPolarHBondContact OD1-CD 3.32Å; D78-R101 WeakPolarHBondContact OD2-CD 3.49Å; D78-R101 IonicContact OD2-CZ 2.88Å; D78-R101 IonicContact OD2-NE 2.94Å; D78-R101 PolarHBondContact OD2-NE 3.18Å; D78-R101 IonicContact OD2-NH1 3.76Å; D78-R101 PolarHBondContact OD2-NH1 2.84Å; D78-R101 IonicContact OD2-NH2 2.7Å; S98-R101 PolarHBondContact O-N 2.85Å; S98-R101 VanDerWaalsContact O-N 3.15Å; R101-F104 HydrophobicContact CB-CE2 4.03Å; R101-F104 WeakPolarHBondContact O-CE2 3.3Å; R101-R129 PolarHBondContact O-NH1 2.84Å |
| 102 | G | 86 | Confident | 90.1 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.2 | -152.6 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S98 C131 | S98-G102 PolarHBondContact N-O 2.94Å; S98-G102 WeakPolarHBondContact O-CA 3.22Å; S98-G102 PolarHBondContact O-N 3.18Å; G102-C131 WeakPolarHBondContact CA-O 3.19Å |
| 103 | T | 89.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.7 | -176.4 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | T96 S97 V130 C131 Y138 | T96-T103 WeakPolarHBondContact O-CA 3.43Å; S97-T103 WeakPolarHBondContact CB-OG1 3.45Å; S97-T103 WeakPolarHBondContact OG-CG2 3.19Å; S97-T103 PolarHBondContact OG-OG1 2.71Å; T103-V130 PolarHBondContact O-N 2.88Å; T103-C131 PolarHBondContact N-O 2.99Å; T103-C131 PolarHBondContact O-N 3.25Å; T103-Y138 VanDerWaalsContact CB-O 3.28Å; T103-Y138 WeakPolarHBondContact CB-O 3.3Å; T103-Y138 PolarHBondContact OG1-O 2.84Å |
| 104 | F | 92 | Very high | 89.5 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.4 | -180 | -71.7 | -102.5 | 0 | 0 | 0 | 110.9 | L95 T96 R101 P127 V128 R129 | L95-F104 VanDerWaalsContact CA-O 3.28Å; L95-F104 WeakPolarHBondContact CA-O 3.2Å; T96-F104 PolarHBondContact N-O 3.45Å; T96-F104 PolarHBondContact O-N 3.01Å; R101-F104 HydrophobicContact CB-CE2 4.03Å; R101-F104 WeakPolarHBondContact O-CE2 3.3Å; F104-P127 HydrophobicContact CD1-CB 4.01Å; F104-V128 CarbonylContact C-O 3.47Å; F104-V128 VanDerWaalsContact CA-O 3.26Å; F104-V128 WeakPolarHBondContact CA-O 3.28Å; F104-R129 HydrophobicContact CD1-CB 4.11Å; F104-R129 HydrophobicContact CE1-CB 3.73Å; F104-R129 HydrophobicContact CE1-CG 4.24Å; F104-R129 HydrophobicContact CZ-CB 4.16Å; F104-R129 HydrophobicContact CZ-CG 4.15Å |
| 105 | V | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 108.5 | 162.5 | 174.6 | 0 | 0 | 0 | 0 | 106.6 | A93 L95 L107 V128 V130 F143 F153 V155 | A93-V105 HydrophobicContact CB-CG1 4.08Å; L95-V105 HydrophobicContact CD1-CG1 4.34Å; L95-V105 HydrophobicContact CD1-CG2 4.19Å; L95-V105 HydrophobicContact CD2-CG2 3.89Å; L95-V105 HydrophobicContact CG-CB 4.39Å; L95-V105 HydrophobicContact CG-CG2 3.74Å; V105-L107 HydrophobicContact CG1-CD2 3.69Å; V105-L107 HydrophobicContact CG1-CG 4.19Å; V105-V128 HydrophobicContact CB-CB 4.31Å; V105-V128 PolarHBondContact N-O 2.96Å; V105-V128 WeakPolarHBondContact O-CB 3.42Å; V105-V128 PolarHBondContact O-N 3.45Å; V105-V130 HydrophobicContact CB-CG2 4.38Å; V105-V130 HydrophobicContact CG2-CG2 3.61Å; V105-F143 HydrophobicContact CG1-CE2 4.33Å; V105-F143 HydrophobicContact CG2-CE2 4.12Å; V105-F153 HydrophobicContact CB-CE2 4.34Å; V105-F153 HydrophobicContact CG1-CE2 4.06Å; V105-F153 HydrophobicContact CG1-CZ 4.13Å; V105-F153 HydrophobicContact CG2-CE2 4.09Å; V105-V155 HydrophobicContact CG2-CG2 4.11Å |
| 106 | N | 94.5 | Very high | 88.9 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 114.2 | 177.7 | -50.5 | -76.1 | 0 | 0 | 0 | 107.8 | V94 T96 L108 L121 | V94-N106 HydrophobicContact CB-CB 4.46Å; V94-N106 PolarHBondContact N-O 3.47Å; V94-N106 VanDerWaalsContact O-CB 3.25Å; V94-N106 WeakPolarHBondContact O-CB 3.16Å; V94-N106 PolarHBondContact O-N 2.85Å; V94-N106 PolarHBondContact O-ND2 2.97Å; T96-N106 PolarHBondContact OG1-ND2 3.48Å; N106-L108 HydrophobicContact CB-CD1 4.39Å; N106-L108 WeakPolarHBondContact O-CD1 3.41Å; N106-L121 HydrophobicContact CB-CD1 4.14Å; N106-L121 HydrophobicContact CB-CD2 4.48Å; N106-L121 HydrophobicContact CB-CG 4.42Å |
| 107 | L | 94.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.1 | -178.9 | -60.7 | 177.1 | 0 | 0 | 0 | 110.2 | I91 L92 A93 V105 S125 R126 V128 W145 F153 F167 I175 | I91-L107 HydrophobicContact CG2-CB 4.19Å; I91-L107 HydrophobicContact CG2-CD2 4.2Å; L92-L107 WeakPolarHBondContact O-CA 3.47Å; A93-L107 HydrophobicContact CB-CD2 4.06Å; V105-L107 HydrophobicContact CG1-CD2 3.69Å; V105-L107 HydrophobicContact CG1-CG 4.19Å; L107-S125 CarbonylContact O-C 3.59Å; L107-S125 WeakPolarHBondContact O-CA 3.39Å; L107-R126 HydrophobicContact CB-CB 4.38Å; L107-R126 PolarHBondContact N-O 2.88Å; L107-R126 PolarHBondContact O-N 2.85Å; L107-V128 HydrophobicContact CD1-CG2 4.4Å; L107-W145 HydrophobicContact CD2-CH2 3.85Å; L107-W145 HydrophobicContact CD2-CZ2 3.8Å; L107-F153 HydrophobicContact CD1-CE1 4.23Å; L107-F167 HydrophobicContact CD1-CB 4.06Å; L107-F167 HydrophobicContact CD1-CD1 4.09Å; L107-F167 HydrophobicContact CD1-CD2 4.2Å; L107-F167 HydrophobicContact CD1-CG 3.83Å; L107-I175 HydrophobicContact CD1-CD1 3.7Å |
| 108 | L | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.1 | 178.3 | -64.5 | 71.3 | 0 | 0 | 0 | 109.6 | I91 L92 V94 N106 L113 L121 I124 | I91-L108 WeakPolarHBondContact CA-O 3.2Å; L92-L108 PolarHBondContact N-O 2.97Å; L92-L108 PolarHBondContact O-N 3.49Å; V94-L108 HydrophobicContact CB-CD1 4.05Å; V94-L108 HydrophobicContact CG2-CD1 3.68Å; N106-L108 HydrophobicContact CB-CD1 4.39Å; N106-L108 WeakPolarHBondContact O-CD1 3.41Å; L108-L113 HydrophobicContact CD2-CD2 4.41Å; L108-L121 HydrophobicContact CD1-CD1 3.72Å; L108-L121 HydrophobicContact CD2-CD1 4.09Å; L108-L121 HydrophobicContact CG-CD1 4.3Å; L108-I124 HydrophobicContact CD2-CG2 4.05Å; L108-I124 HydrophobicContact CG-CG2 4.38Å |
| 109 | N | 91.4 | Very high | 89.2 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 117.3 | 165.5 | -178.7 | 3.9 | 0 | 0 | 0 | 109.4 | L90 I91 V111 D112 L113 | L90-N109 PolarHBondContact O-OD1 3.43Å; I91-N109 HydrophobicContact CD1-CB 4.05Å; N109-V111 PolarHBondContact O-N 3.4Å; N109-V111 WeakPolarHBondContact OD1-CB 3.37Å; N109-V111 PolarHBondContact OD1-N 2.95Å; N109-D112 HydrophobicContact CB-CB 4.17Å; N109-D112 VanDerWaalsContact ND2-CG 3.32Å; N109-D112 PolarHBondContact ND2-OD2 3.14Å; N109-D112 PolarHBondContact O-N 3.32Å; N109-L113 PolarHBondContact O-N 3.47Å |
| 110 | V | 91.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -34.9 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | F85 L90 L92 D112 L113 V114 L414 | F85-V110 HydrophobicContact CD1-CG2 4.13Å; F85-V110 HydrophobicContact CE1-CG2 3.64Å; L90-V110 WeakPolarHBondContact O-CB 3.43Å; L90-V110 WeakPolarHBondContact O-CG2 3.43Å; L90-V110 PolarHBondContact O-N 2.99Å; L92-V110 HydrophobicContact CB-CG2 4.36Å; V110-D112 VanDerWaalsContact C-N 3.31Å; V110-D112 PolarHBondContact O-N 3.43Å; V110-L113 PolarHBondContact O-N 2.97Å; V110-V114 HydrophobicContact CG1-CG2 4.45Å; V110-V114 WeakPolarHBondContact O-CB 2.97Å; V110-V114 WeakPolarHBondContact O-CG2 3.06Å; V110-V114 PolarHBondContact O-N 2.78Å; V110-L414 HydrophobicContact CG1-CD1 3.77Å |
| 111 | V | 89.8 | Confident | 90.3 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 29% | 0.291 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.8 | -32 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | L90 N109 K115 L414 | L90-V111 HydrophobicContact CD2-CG2 4.05Å; N109-V111 PolarHBondContact O-N 3.4Å; N109-V111 WeakPolarHBondContact OD1-CB 3.37Å; N109-V111 PolarHBondContact OD1-N 2.95Å; V111-K115 WeakPolarHBondContact O-CE 3.37Å; V111-K115 VanDerWaalsContact O-CG 3.28Å; V111-K115 WeakPolarHBondContact O-CG 3.34Å; V111-K115 PolarHBondContact O-N 2.85Å; V111-L414 HydrophobicContact CG2-CD2 4.12Å |
| 112 | D | 88.5 | Confident | 90.6 | Very high | 62 Ų | 62 | 35.2 Ų | 35.2 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -85.9 | -30.2 | 177.1 | -62 | -34.6 | 0 | 0 | 0 | 111.9 | N109 V110 K115 S116 | N109-D112 HydrophobicContact CB-CB 4.17Å; N109-D112 VanDerWaalsContact ND2-CG 3.32Å; N109-D112 PolarHBondContact ND2-OD2 3.14Å; N109-D112 PolarHBondContact O-N 3.32Å; V110-D112 VanDerWaalsContact C-N 3.31Å; V110-D112 PolarHBondContact O-N 3.43Å; D112-K115 PolarHBondContact O-N 2.89Å; D112-K115 IonicContact OD1-NZ 2.66Å; D112-K115 PolarHBondContact OD1-NZ 2.98Å; D112-S116 WeakPolarHBondContact O-CB 3.45Å; D112-S116 PolarHBondContact O-N 2.86Å; D112-S116 PolarHBondContact O-OG 2.84Å |
| 113 | L | 90.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 168.7 | 179.3 | 58 | 0 | 0 | 0 | 111.7 | L44 I72 V74 L108 N109 V110 K115 S116 G117 T119 I124 | L44-L113 HydrophobicContact CD1-CD2 3.83Å; I72-L113 HydrophobicContact CD1-CG 4.44Å; I72-L113 HydrophobicContact CG2-CD1 3.84Å; I72-L113 HydrophobicContact CG2-CG 4.32Å; V74-L113 HydrophobicContact CG2-CD1 3.43Å; V74-L113 VanDerWaalsContact CG2-CD1 3.43Å; V74-L113 HydrophobicContact CG2-CD2 4.19Å; V74-L113 HydrophobicContact CG2-CG 4.45Å; L108-L113 HydrophobicContact CD2-CD2 4.41Å; N109-L113 PolarHBondContact O-N 3.47Å; V110-L113 PolarHBondContact O-N 2.97Å; L113-K115 VanDerWaalsContact C-N 3.28Å; L113-K115 PolarHBondContact O-N 2.84Å; L113-S116 PolarHBondContact O-N 3Å; L113-S116 VanDerWaalsContact O-N 3.11Å; L113-G117 PolarHBondContact O-N 2.77Å; L113-T119 HydrophobicContact CD1-CG2 4.42Å; L113-I124 HydrophobicContact CB-CD1 4.2Å; L113-I124 HydrophobicContact CD1-CD1 4.11Å |
| 114 | V | 90.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -32.8 | 177.4 | 168.5 | 0 | 0 | 0 | 0 | 112.6 | I72 V110 P415 I416 | I72-V114 HydrophobicContact CD1-CG2 4.38Å; V110-V114 HydrophobicContact CG1-CG2 4.45Å; V110-V114 WeakPolarHBondContact O-CB 2.97Å; V110-V114 WeakPolarHBondContact O-CG2 3.06Å; V110-V114 PolarHBondContact O-N 2.78Å; V114-P415 HydrophobicContact CG1-CG 4.16Å; V114-P415 VanDerWaalsContact CG1-O 3.28Å; V114-P415 WeakPolarHBondContact CG1-O 3.27Å; V114-I416 HydrophobicContact CG2-CG1 4.06Å |
| 115 | K | 88.7 | Confident | 90.4 | Very high | 151 Ų | 151 | 41.6 Ų | 41.6 | 66% | 0.657 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -71.5 | -36.1 | 172.5 | -68.4 | 166.7 | -160.3 | 160.8 | 0 | 113.3 | V111 D112 L113 | V111-K115 WeakPolarHBondContact O-CE 3.37Å; V111-K115 VanDerWaalsContact O-CG 3.28Å; V111-K115 WeakPolarHBondContact O-CG 3.34Å; V111-K115 PolarHBondContact O-N 2.85Å; D112-K115 PolarHBondContact O-N 2.89Å; D112-K115 IonicContact OD1-NZ 2.66Å; D112-K115 PolarHBondContact OD1-NZ 2.98Å; L113-K115 VanDerWaalsContact C-N 3.28Å; L113-K115 PolarHBondContact O-N 2.84Å |
| 116 | S | 87.5 | Confident | 90.2 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -83.3 | -26.3 | -172.7 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | D112 L113 I124 | D112-S116 WeakPolarHBondContact O-CB 3.45Å; D112-S116 PolarHBondContact O-N 2.86Å; D112-S116 PolarHBondContact O-OG 2.84Å; L113-S116 PolarHBondContact O-N 3Å; L113-S116 VanDerWaalsContact O-N 3.11Å; S116-I124 WeakPolarHBondContact OG-CD1 3.49Å |
| 117 | G | 88.7 | Confident | 90 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | trans | 69.1 | -151.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I72 L113 | I72-G117 WeakPolarHBondContact CG2-O 3.48Å; L113-G117 PolarHBondContact O-N 2.77Å | ||
| 118 | S | 88.7 | Confident | 89.7 | Confident | 79 Ų | 79 | 49 Ų | 49 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -68.3 | 133.1 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | V73 | V73-S118 PolarHBondContact N-OG 2.85Å; V73-S118 CarbonylContact O-C 3.55Å; V73-S118 WeakPolarHBondContact O-CA 3.46Å; V73-S118 VanDerWaalsContact O-CB 3.23Å; V73-S118 WeakPolarHBondContact O-CB 3.47Å |
| 119 | T | 91.5 | Very high | 89.5 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 174.2 | -169.5 | -168.9 | 0 | 0 | 0 | 0 | 111 | V73 V74 S75 L113 I124 | V73-T119 PolarHBondContact O-N 3.18Å; V73-T119 VanDerWaalsContact O-N 3.15Å; V74-T119 CarbonylContact C-O 3.53Å; V74-T119 WeakPolarHBondContact CA-O 3.44Å; S75-T119 PolarHBondContact N-O 3.3Å; L113-T119 HydrophobicContact CD1-CG2 4.42Å; T119-I124 HydrophobicContact CG2-CB 4.05Å; T119-I124 HydrophobicContact CG2-CD1 3.99Å; T119-I124 HydrophobicContact CG2-CG2 3.76Å |
| 120 | D | 91.6 | Very high | 89.2 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 40% | 0.401 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 145.7 | 172.6 | -46 | -64.6 | 0 | 0 | 0 | 111.6 | S122 N123 | D120-S122 PolarHBondContact O-N 2.82Å; D120-S122 VanDerWaalsContact O-N 3.13Å; D120-N123 WeakPolarHBondContact CB-ND2 3.5Å; D120-N123 WeakPolarHBondContact O-CB 3.4Å; D120-N123 PolarHBondContact O-N 2.86Å; D120-N123 PolarHBondContact OD2-ND2 3.22Å |
| 121 | L | 91.6 | Very high | 88.7 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.7 | -35.1 | 176.9 | -177.7 | 63.2 | 0 | 0 | 0 | 112.3 | V74 S75 S76 V94 T96 N106 L108 N123 S125 | V74-L121 HydrophobicContact CG1-CB 4.05Å; V74-L121 HydrophobicContact CG1-CD1 4.38Å; S75-L121 WeakPolarHBondContact O-CB 3.46Å; S75-L121 PolarHBondContact O-N 3.16Å; S76-L121 WeakPolarHBondContact OG-CD2 3.37Å; V94-L121 HydrophobicContact CB-CD1 4.22Å; V94-L121 HydrophobicContact CG1-CD1 4.15Å; V94-L121 HydrophobicContact CG1-CD2 4.08Å; T96-L121 HydrophobicContact CG2-CD2 3.85Å; N106-L121 HydrophobicContact CB-CD1 4.14Å; N106-L121 HydrophobicContact CB-CD2 4.48Å; N106-L121 HydrophobicContact CB-CG 4.42Å; L108-L121 HydrophobicContact CD1-CD1 3.72Å; L108-L121 HydrophobicContact CD2-CD1 4.09Å; L108-L121 HydrophobicContact CG-CD1 4.3Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 3.31Å; L121-S125 WeakPolarHBondContact O-CB 3.25Å; L121-S125 PolarHBondContact O-N 2.84Å; L121-S125 VanDerWaalsContact O-N 3.15Å; L121-S125 PolarHBondContact O-OG 3.07Å |
| 122 | S | 88.5 | Confident | 87.6 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.9 | -26 | 176.8 | 47.4 | 0 | 0 | 0 | 0 | 114.5 | D120 | D120-S122 PolarHBondContact O-N 2.82Å; D120-S122 VanDerWaalsContact O-N 3.13Å |
| 123 | N | 87.2 | Confident | 86.1 | Confident | 106 Ų | 106 | 53.7 Ų | 53.7 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -90.1 | -21.9 | -168.3 | -54.2 | -10.5 | 0 | 0 | 0 | 111.6 | D120 L121 | D120-N123 WeakPolarHBondContact CB-ND2 3.5Å; D120-N123 WeakPolarHBondContact O-CB 3.4Å; D120-N123 PolarHBondContact O-N 2.86Å; D120-N123 PolarHBondContact OD2-ND2 3.22Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 3.31Å |
| 124 | I | 86.9 | Confident | 84.6 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -125 | -16.1 | -170.5 | -161.6 | 155.6 | 0 | 0 | 0 | 114.7 | L108 L113 S116 T119 | L108-I124 HydrophobicContact CD2-CG2 4.05Å; L108-I124 HydrophobicContact CG-CG2 4.38Å; L113-I124 HydrophobicContact CB-CD1 4.2Å; L113-I124 HydrophobicContact CD1-CD1 4.11Å; S116-I124 WeakPolarHBondContact OG-CD1 3.49Å; T119-I124 HydrophobicContact CG2-CB 4.05Å; T119-I124 HydrophobicContact CG2-CD1 3.99Å; T119-I124 HydrophobicContact CG2-CG2 3.76Å |
| 125 | S | 89.7 | Confident | 83 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 11% | 0.112 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 157.5 | 180 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | L107 L121 P127 | L107-S125 CarbonylContact O-C 3.59Å; L107-S125 WeakPolarHBondContact O-CA 3.39Å; L121-S125 WeakPolarHBondContact O-CB 3.25Å; L121-S125 PolarHBondContact O-N 2.84Å; L121-S125 VanDerWaalsContact O-N 3.15Å; L121-S125 PolarHBondContact O-OG 3.07Å; S125-P127 VanDerWaalsContact O-CD 3.3Å; S125-P127 WeakPolarHBondContact O-CD 3.4Å |
| 126 | R | 89.1 | Confident | 81.8 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 29% | 0.291 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 98.7 | 168.7 | -174.7 | 178.1 | -171.1 | -174 | 8.7 | 109.1 | L107 R173 I175 | L107-R126 HydrophobicContact CB-CB 4.38Å; L107-R126 PolarHBondContact N-O 2.88Å; L107-R126 PolarHBondContact O-N 2.85Å; R126-R173 PolarHBondContact NH2-O 3.25Å; R126-I175 HydrophobicContact CG-CD1 4.32Å |
| 127 | P | 90 | Very high | 81.1 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.7 | -177 | 27.7 | -34.9 | 0 | 0 | 0 | 112.7 | F104 S125 | F104-P127 HydrophobicContact CD1-CB 4.01Å; S125-P127 VanDerWaalsContact O-CD 3.3Å; S125-P127 WeakPolarHBondContact O-CD 3.4Å |
| 128 | V | 89.2 | Confident | 80.5 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.8 | 170.3 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | F104 V105 L107 V130 F165 I175 | F104-V128 CarbonylContact C-O 3.47Å; F104-V128 VanDerWaalsContact CA-O 3.26Å; F104-V128 WeakPolarHBondContact CA-O 3.28Å; V105-V128 HydrophobicContact CB-CB 4.31Å; V105-V128 PolarHBondContact N-O 2.96Å; V105-V128 WeakPolarHBondContact O-CB 3.42Å; V105-V128 PolarHBondContact O-N 3.45Å; L107-V128 HydrophobicContact CD1-CG2 4.4Å; V128-V130 PolarHBondContact O-N 2.87Å; V128-F165 HydrophobicContact CG1-CD1 4.4Å; V128-F165 HydrophobicContact CG1-CE1 4.08Å; V128-F165 HydrophobicContact CG1-CZ 4.3Å; V128-I175 HydrophobicContact CG2-CB 4.48Å; V128-I175 HydrophobicContact CG2-CD1 3.38Å; V128-I175 HydrophobicContact CG2-CG1 4.43Å; V128-I175 HydrophobicContact CG2-CG2 4.26Å |
| 129 | R | 88.2 | Confident | 80.4 | Confident | 143 Ų | 143 | 60.1 Ų | 60.1 | 54% | 0.54 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 112.6 | 173 | -176.8 | -172.9 | -76 | -79.4 | 9.5 | 109.4 | R101 F104 | R101-R129 PolarHBondContact O-NH1 2.84Å; F104-R129 HydrophobicContact CD1-CB 4.11Å; F104-R129 HydrophobicContact CE1-CB 3.73Å; F104-R129 HydrophobicContact CE1-CG 4.24Å; F104-R129 HydrophobicContact CZ-CB 4.16Å; F104-R129 HydrophobicContact CZ-CG 4.15Å |
| 130 | V | 85.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -42.9 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | T103 V105 V128 V155 L157 R163 F165 | T103-V130 PolarHBondContact O-N 2.88Å; V105-V130 HydrophobicContact CB-CG2 4.38Å; V105-V130 HydrophobicContact CG2-CG2 3.61Å; V128-V130 PolarHBondContact O-N 2.87Å; V130-V155 HydrophobicContact CG1-CB 4.13Å; V130-V155 HydrophobicContact CG1-CG1 3.97Å; V130-V155 HydrophobicContact CG1-CG2 4.49Å; V130-V155 HydrophobicContact CG2-CG1 4.43Å; V130-V155 HydrophobicContact CG2-CG2 4.25Å; V130-L157 HydrophobicContact CG1-CD2 4.02Å; V130-L157 HydrophobicContact CG1-CG 4.48Å; V130-R163 PolarHBondContact O-NH1 2.76Å; V130-F165 HydrophobicContact CG1-CE2 4.39Å; V130-F165 HydrophobicContact CG2-CE2 4.28Å |
| 131 | C | 81.9 | Confident | 80.2 | Confident | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 164.3 | 177.5 | -163.7 | 0 | 0 | 0 | 0 | 110.9 | G102 T103 L157 | G102-C131 WeakPolarHBondContact CA-O 3.19Å; T103-C131 PolarHBondContact N-O 2.99Å; T103-C131 PolarHBondContact O-N 3.25Å; C131-L157 HydrophobicContact CB-CD1 3.85Å; C131-L157 HydrophobicContact CB-CD2 4.32Å |
| 132 | G | 66 | Low | 80.2 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | trans | 163.6 | 149.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 133 | G | 55.7 | Low | 80.5 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 80% | 0.804 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 93.9 | -7.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 134 | E | 59.4 | Low | 80.9 | Confident | 99 Ų | 99 | 49.1 Ų | 49.1 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | trans | -105.1 | 120.5 | 177.5 | -67.3 | 172.6 | -158.4 | 0 | 0 | 110.2 | S136 | E134-S136 PolarHBondContact O-N 2.54Š| ||
| 135 | T | 57.8 | Low | 81.3 | Confident | 142 Ų | 142 | 48.8 Ų | 48.8 | 87% | 0.871 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 17 | -164.1 | 54.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 136 | S | 62.2 | Low | 81.5 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -162.8 | -29.9 | 177.9 | 57.2 | 0 | 0 | 0 | 0 | 114 | E134 Y138 | E134-S136 PolarHBondContact O-N 2.54Å; S136-Y138 PolarHBondContact O-N 3.15Å |
| 137 | L | 73.2 | Confident | 81.6 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 10.2 | -170.5 | -61.6 | -171.4 | 0 | 0 | 0 | 115 | ||
| 138 | Y | 77.3 | Confident | 81.5 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 6% | 0.059 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -22.6 | -178.5 | 69.3 | -85.1 | 0 | 0 | 0 | 113.9 | E99 T103 S136 | E99-Y138 HydrophobicContact CG-CE1 3.99Å; E99-Y138 VanDerWaalsContact CG-OH 3.22Å; E99-Y138 WeakPolarHBondContact CG-OH 2.95Å; T103-Y138 VanDerWaalsContact CB-O 3.28Å; T103-Y138 WeakPolarHBondContact CB-O 3.3Å; T103-Y138 PolarHBondContact OG1-O 2.84Å; S136-Y138 PolarHBondContact O-N 3.15Å |
| 139 | R | 85.1 | Confident | 81.6 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | trans | -62.9 | 153.1 | -170.5 | -67.1 | 160.9 | 174.6 | -139.4 | -8.9 | 112.8 | E21 E99 L157 D158 | E21-R139 IonicContact OE1-CZ 3.19Å; E21-R139 IonicContact OE1-NH1 2.79Å; E21-R139 PolarHBondContact OE1-NH1 3.2Å; E21-R139 IonicContact OE1-NH2 3.39Å; E21-R139 WeakPolarHBondContact OE2-CD 3.32Å; E21-R139 IonicContact OE2-CZ 2.74Å; E21-R139 VanDerWaalsContact OE2-CZ 3.27Å; E21-R139 IonicContact OE2-NE 3.2Å; E21-R139 PolarHBondContact OE2-NE 3.31Å; E21-R139 IonicContact OE2-NH1 3.06Å; E21-R139 PolarHBondContact OE2-NH1 2.76Å; E99-R139 IonicContact OE1-NH2 3.58Å; R139-L157 CarbonylContact O-C 3.41Å; R139-L157 WeakPolarHBondContact O-CA 3.4Å; R139-D158 HydrophobicContact CB-CB 4Å; R139-D158 VanDerWaalsContact CB-OD2 3.3Å; R139-D158 WeakPolarHBondContact CB-OD2 3.27Å; R139-D158 PolarHBondContact O-N 2.78Å | ||
| 140 | L | 89.5 | Confident | 81.7 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.8 | -177.7 | -176.1 | 74.1 | 0 | 0 | 0 | 110.8 | I81 W82 L95 F143 V155 | I81-L140 HydrophobicContact CD1-CB 3.42Å; I81-L140 VanDerWaalsContact CD1-CB 3.42Å; I81-L140 HydrophobicContact CD1-CD2 3.65Å; I81-L140 HydrophobicContact CD1-CG 4.19Å; I81-L140 HydrophobicContact CG1-CD2 4.44Å; W82-L140 HydrophobicContact CB-CD2 3.78Å; W82-L140 HydrophobicContact CD2-CD2 3.91Å; W82-L140 HydrophobicContact CE3-CD2 3.65Å; W82-L140 HydrophobicContact CG-CD2 4.03Å; W82-L140 HydrophobicContact CZ3-CD2 4.43Å; L95-L140 HydrophobicContact CD2-CD1 3.78Å; L95-L140 HydrophobicContact CD2-CD2 3.56Å; L95-L140 HydrophobicContact CD2-CG 4.31Å; L140-F143 HydrophobicContact CD1-CB 4.5Å; L140-F143 HydrophobicContact CD2-CB 4.48Å; L140-V155 HydrophobicContact CD1-CG1 3.42Å; L140-V155 VanDerWaalsContact CD1-CG1 3.42Å |
| 141 | R | 89.3 | Confident | 82 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -38.9 | 173.8 | -178.3 | 175.6 | -58.1 | -56.4 | 4.1 | 113 | R22 V156 D158 C187 R188 | R22-R141 VanDerWaalsContact CD-O 3.27Å; R22-R141 WeakPolarHBondContact CD-O 3.35Å; R22-R141 PolarHBondContact NH1-O 3.28Å; R141-V156 HydrophobicContact CB-CB 4.43Å; R141-V156 HydrophobicContact CB-CG1 4.17Å; R141-V156 HydrophobicContact CG-CG1 4.49Å; R141-V156 PolarHBondContact N-O 3.04Å; R141-D158 IonicContact CZ-OD1 2.94Å; R141-D158 IonicContact NE-OD1 3.83Å; R141-D158 IonicContact NH1-OD1 3.6Å; R141-D158 PolarHBondContact NH1-OD1 2.88Å; R141-D158 PolarHBondContact NH2-O 3.43Å; R141-D158 IonicContact NH2-OD1 3.42Å; R141-D158 PolarHBondContact NH2-OD1 3.22Å; R141-C187 VanDerWaalsContact CD-O 3.27Å; R141-C187 WeakPolarHBondContact CD-O 3.49Å; R141-C187 PolarHBondContact NE-O 3.01Å; R141-R188 WeakPolarHBondContact CD-O 3.36Å; R141-R188 WeakPolarHBondContact CG-O 3.28Å |
| 142 | D | 92.9 | Very high | 82.5 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 153.1 | -175.7 | -161 | -4.3 | 0 | 0 | 0 | 111.3 | V156 C189 V190 | D142-V156 HydrophobicContact CB-CB 3.95Å; D142-V156 HydrophobicContact CB-CG2 4Å; D142-V156 PolarHBondContact N-O 3.05Å; D142-V156 PolarHBondContact O-N 2.77Å; D142-C189 VanDerWaalsContact OD2-CA 3.25Å; D142-C189 WeakPolarHBondContact OD2-CA 3.44Å; D142-V190 HydrophobicContact CB-CG2 4.36Å; D142-V190 WeakPolarHBondContact OD2-CG2 3.34Å; D142-V190 PolarHBondContact OD2-N 2.71Å |
| 143 | F | 94.9 | Very high | 83.9 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 132.1 | 178.5 | 176.4 | -83.9 | 0 | 0 | 0 | 111.4 | W82 A84 A93 L95 V105 L140 W145 F153 V155 | W82-F143 HydrophobicContact CD2-CB 4.29Å; W82-F143 HydrophobicContact CG-CB 4.45Å; W82-F143 HydrophobicContact CZ2-CB 4.22Å; W82-F143 AromaticContact NE1-CD1 3.84Å; A84-F143 HydrophobicContact CB-CD1 4.06Å; A84-F143 HydrophobicContact CB-CE1 3.8Å; A93-F143 HydrophobicContact CB-CE1 4.11Å; A93-F143 HydrophobicContact CB-CE2 4.47Å; A93-F143 HydrophobicContact CB-CZ 3.7Å; L95-F143 HydrophobicContact CD1-CD2 4.02Å; L95-F143 HydrophobicContact CD1-CE2 4.02Å; L95-F143 HydrophobicContact CD1-CG 4.31Å; L95-F143 HydrophobicContact CD1-CZ 4.35Å; L95-F143 HydrophobicContact CD2-CB 4.27Å; L95-F143 HydrophobicContact CD2-CD2 3.68Å; L95-F143 HydrophobicContact CD2-CE2 4.32Å; L95-F143 HydrophobicContact CD2-CG 4.11Å; L95-F143 HydrophobicContact CG-CD2 4.46Å; V105-F143 HydrophobicContact CG1-CE2 4.33Å; V105-F143 HydrophobicContact CG2-CE2 4.12Å; L140-F143 HydrophobicContact CD1-CB 4.5Å; L140-F143 HydrophobicContact CD2-CB 4.48Å; F143-W145 AromaticContact CE1-CD1 3.72Å; F143-W145 HydrophobicContact CE1-CG 4.23Å; F143-W145 AromaticContact CE1-NE1 3.74Å; F143-W145 HydrophobicContact CZ-CD2 4.47Å; F143-W145 HydrophobicContact CZ-CZ2 4.5Å; F143-W145 AromaticContact CZ-NE1 3.97Å; F143-F153 HydrophobicContact CE2-CB 4.22Å; F143-F153 AromaticContact CE2-CD2 3.55Å; F143-F153 HydrophobicContact CE2-CD2 3.55Å; F143-F153 HydrophobicContact CE2-CE2 4.21Å; F143-F153 HydrophobicContact CE2-CG 4.16Å; F143-F153 HydrophobicContact CZ-CB 3.97Å; F143-F153 HydrophobicContact CZ-CD2 4.05Å; F143-F153 HydrophobicContact CZ-CG 4.2Å; F143-V155 HydrophobicContact CD2-CG1 4.42Å; F143-V155 HydrophobicContact CD2-CG2 3.96Å; F143-V155 HydrophobicContact CE2-CG2 4.14Å |
| 144 | A | 95.2 | Very high | 85.8 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 126.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V154 W192 | A144-V154 HydrophobicContact CB-CG1 3.98Å; A144-V154 PolarHBondContact N-O 3.38Å; A144-V154 WeakPolarHBondContact O-CG1 3.47Å; A144-V154 PolarHBondContact O-N 2.58Å; A144-W192 PolarHBondContact O-NE1 3.12Å; A144-W192 VanDerWaalsContact O-NE1 3.14Å |
| 145 | W | 95 | Very high | 87.5 | Confident | 25 Ų | 25 | 35.7 Ų | 35.7 | 10% | 0.095 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 145.4 | 164.1 | -77.2 | 114.9 | 0 | 0 | 0 | 111.8 | A84 N86 I91 A93 L107 F143 F153 F167 W192 | A84-W145 PolarHBondContact O-NE1 2.99Å; N86-W145 HydrophobicContact CB-CD2 3.69Å; N86-W145 HydrophobicContact CB-CE3 3.82Å; N86-W145 HydrophobicContact CB-CG 4.19Å; N86-W145 HydrophobicContact CB-CH2 4.28Å; N86-W145 HydrophobicContact CB-CZ2 4.09Å; N86-W145 HydrophobicContact CB-CZ3 4.15Å; I91-W145 HydrophobicContact CG2-CH2 4.46Å; I91-W145 HydrophobicContact CG2-CZ2 4.36Å; A93-W145 HydrophobicContact CB-CZ2 3.87Å; L107-W145 HydrophobicContact CD2-CH2 3.85Å; L107-W145 HydrophobicContact CD2-CZ2 3.8Å; F143-W145 AromaticContact CE1-CD1 3.72Å; F143-W145 HydrophobicContact CE1-CG 4.23Å; F143-W145 AromaticContact CE1-NE1 3.74Å; F143-W145 HydrophobicContact CZ-CD2 4.47Å; F143-W145 HydrophobicContact CZ-CZ2 4.5Å; F143-W145 AromaticContact CZ-NE1 3.97Å; W145-F153 HydrophobicContact CD2-CB 4.04Å; W145-F153 HydrophobicContact CE3-CB 3.61Å; W145-F153 HydrophobicContact CE3-CD1 4.31Å; W145-F153 HydrophobicContact CE3-CG 4.4Å; W145-F153 HydrophobicContact CH2-CB 4.31Å; W145-F153 AromaticContact CH2-CD1 3.67Å; W145-F153 HydrophobicContact CH2-CD1 3.67Å; W145-F153 HydrophobicContact CH2-CE1 4.32Å; W145-F153 HydrophobicContact CH2-CG 4.27Å; W145-F153 HydrophobicContact CZ3-CB 3.72Å; W145-F153 AromaticContact CZ3-CD1 3.52Å; W145-F153 HydrophobicContact CZ3-CD1 3.52Å; W145-F153 HydrophobicContact CZ3-CG 4.02Å; W145-F167 AromaticContact CH2-CD1 3.86Å; W145-F167 HydrophobicContact CH2-CD1 3.86Å; W145-F167 AromaticContact CH2-CE1 3.38Å; W145-F167 HydrophobicContact CH2-CE1 3.38Å; W145-F167 HydrophobicContact CH2-CZ 4.29Å; W145-F167 AromaticContact CZ3-CD1 3.94Å; W145-F167 HydrophobicContact CZ3-CD1 3.94Å; W145-F167 AromaticContact CZ3-CE1 3.45Å; W145-F167 HydrophobicContact CZ3-CE1 3.45Å; W145-F167 VanDerWaalsContact CZ3-CE1 3.45Å; W145-W192 PolarHBondContact O-NE1 2.88Å |
| 146 | S | 93.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | trans | -66.7 | 131.7 | 168.6 | 176 | 0 | 0 | 0 | 0 | 110.5 | C87 T148 D149 T152 | C87-S146 WeakPolarHBondContact CB-O 3.29Å; S146-T148 PolarHBondContact O-N 3.02Å; S146-D149 WeakPolarHBondContact CB-O 3.35Å; S146-D149 PolarHBondContact OG-N 3.13Å; S146-T152 WeakPolarHBondContact CB-O 3.34Å; S146-T152 PolarHBondContact N-O 2.85Å | ||
| 147 | P | 90.9 | Very high | 90.5 | Very high | 62 Ų | 62 | 25.7 Ų | 25.7 | 40% | 0.403 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -75.9 | -4.7 | -176.3 | 30.9 | -36.7 | 0 | 0 | 0 | 114 | W192 | P147-W192 VanDerWaalsContact CD-CB 3.43Å; P147-W192 HydrophobicContact CG-CB 3.95Å |
| 148 | T | 89.1 | Confident | 91.2 | Very high | 86 Ų | 86 | 24.6 Ų | 24.6 | 53% | 0.528 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -133.9 | -3.3 | -179.7 | 64.9 | 0 | 0 | 0 | 0 | 114.1 | S146 G196 | S146-T148 PolarHBondContact O-N 3.02Å; T148-G196 WeakPolarHBondContact OG1-CA 3.45Å |
| 149 | D | 90.1 | Very high | 91.7 | Very high | 46 Ų | 46 | 24.6 Ų | 24.6 | 25% | 0.246 | 14% | 0.135 | C | C | . | . | trans | -129.1 | 104.8 | 178 | 173.3 | 12.6 | 0 | 0 | 0 | 108.6 | S146 T151 T152 | S146-D149 WeakPolarHBondContact CB-O 3.35Å; S146-D149 PolarHBondContact OG-N 3.13Å; D149-T151 VanDerWaalsContact CG-OG1 3.26Å; D149-T151 PolarHBondContact O-N 3.29Å; D149-T151 WeakPolarHBondContact OD1-CB 3.41Å; D149-T151 PolarHBondContact OD1-N 3.27Å; D149-T151 PolarHBondContact OD1-OG1 3.23Å; D149-T151 PolarHBondContact OD2-OG1 2.91Å; D149-T152 PolarHBondContact O-N 2.84Å; D149-T152 WeakPolarHBondContact OD2-CB 3.41Å; D149-T152 PolarHBondContact OD2-OG1 2.86Å | ||
| 150 | P | 90.7 | Very high | 91.9 | Very high | 37 Ų | 37 | 21 Ų | 21 | 24% | 0.24 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -5.1 | -176.4 | 29.1 | -34.8 | 0 | 0 | 0 | 113.1 | N86 C87 D88 F167 | N86-P150 WeakPolarHBondContact ND2-CB 3.11Å; N86-P150 PolarHBondContact ND2-O 2.85Å; C87-P150 VanDerWaalsContact SG-N 3.38Å; D88-P150 HydrophobicContact CB-CB 4.27Å; D88-P150 WeakPolarHBondContact OD2-CB 3.48Å; P150-F167 WeakPolarHBondContact O-CE1 3.49Å; P150-F167 WeakPolarHBondContact O-CZ 3.32Å |
| 151 | T | 91.7 | Very high | 91.9 | Very high | 24 Ų | 24 | 21.1 Ų | 21.1 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -15.1 | -178 | 69.4 | 0 | 0 | 0 | 0 | 114.4 | D149 N166 F167 P169 | D149-T151 VanDerWaalsContact CG-OG1 3.26Å; D149-T151 PolarHBondContact O-N 3.29Å; D149-T151 WeakPolarHBondContact OD1-CB 3.41Å; D149-T151 PolarHBondContact OD1-N 3.27Å; D149-T151 PolarHBondContact OD1-OG1 3.23Å; D149-T151 PolarHBondContact OD2-OG1 2.91Å; T151-N166 CarbonylContact O-C 3.59Å; T151-N166 VanDerWaalsContact O-CA 3.31Å; T151-N166 WeakPolarHBondContact O-CA 3.31Å; T151-N166 PolarHBondContact OG1-ND2 2.85Å; T151-F167 VanDerWaalsContact CB-O 3.22Å; T151-F167 WeakPolarHBondContact CB-O 3.43Å; T151-F167 WeakPolarHBondContact O-CD1 3.28Å; T151-F167 PolarHBondContact O-N 2.84Å; T151-P169 HydrophobicContact CG2-CG 4.07Å |
| 152 | T | 93.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.1 | -170 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | S146 D149 L164 F165 N166 W192 | S146-T152 WeakPolarHBondContact CB-O 3.34Å; S146-T152 PolarHBondContact N-O 2.85Å; D149-T152 PolarHBondContact O-N 2.84Å; D149-T152 WeakPolarHBondContact OD2-CB 3.41Å; D149-T152 PolarHBondContact OD2-OG1 2.86Å; T152-L164 HydrophobicContact CG2-CD1 3.81Å; T152-L164 HydrophobicContact CG2-CG 4.34Å; T152-F165 WeakPolarHBondContact CA-O 3.25Å; T152-N166 PolarHBondContact OG1-ND2 3.4Å; T152-W192 HydrophobicContact CG2-CH2 3.96Å; T152-W192 HydrophobicContact CG2-CZ2 4.04Å |
| 153 | F | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 152.4 | 174.8 | 63.2 | -86.4 | 0 | 0 | 0 | 112.7 | V105 L107 F143 W145 V155 F165 F167 | V105-F153 HydrophobicContact CB-CE2 4.34Å; V105-F153 HydrophobicContact CG1-CE2 4.06Å; V105-F153 HydrophobicContact CG1-CZ 4.13Å; V105-F153 HydrophobicContact CG2-CE2 4.09Å; L107-F153 HydrophobicContact CD1-CE1 4.23Å; F143-F153 HydrophobicContact CE2-CB 4.22Å; F143-F153 AromaticContact CE2-CD2 3.55Å; F143-F153 HydrophobicContact CE2-CD2 3.55Å; F143-F153 HydrophobicContact CE2-CE2 4.21Å; F143-F153 HydrophobicContact CE2-CG 4.16Å; F143-F153 HydrophobicContact CZ-CB 3.97Å; F143-F153 HydrophobicContact CZ-CD2 4.05Å; F143-F153 HydrophobicContact CZ-CG 4.2Å; W145-F153 HydrophobicContact CD2-CB 4.04Å; W145-F153 HydrophobicContact CE3-CB 3.61Å; W145-F153 HydrophobicContact CE3-CD1 4.31Å; W145-F153 HydrophobicContact CE3-CG 4.4Å; W145-F153 HydrophobicContact CH2-CB 4.31Å; W145-F153 AromaticContact CH2-CD1 3.67Å; W145-F153 HydrophobicContact CH2-CD1 3.67Å; W145-F153 HydrophobicContact CH2-CE1 4.32Å; W145-F153 HydrophobicContact CH2-CG 4.27Å; W145-F153 HydrophobicContact CZ3-CB 3.72Å; W145-F153 AromaticContact CZ3-CD1 3.52Å; W145-F153 HydrophobicContact CZ3-CD1 3.52Å; W145-F153 HydrophobicContact CZ3-CG 4.02Å; F153-V155 HydrophobicContact CD2-CG2 3.73Å; F153-V155 HydrophobicContact CE2-CG2 3.76Å; F153-F165 HydrophobicContact CD1-CB 4.14Å; F153-F165 HydrophobicContact CD2-CB 4.2Å; F153-F165 HydrophobicContact CD2-CD2 4.12Å; F153-F165 HydrophobicContact CE1-CB 3.69Å; F153-F165 HydrophobicContact CE2-CB 3.75Å; F153-F165 AromaticContact CE2-CD2 3.48Å; F153-F165 HydrophobicContact CE2-CD2 3.48Å; F153-F165 VanDerWaalsContact CE2-CD2 3.48Å; F153-F165 HydrophobicContact CE2-CE2 4.32Å; F153-F165 AromaticContact CE2-CG 3.88Å; F153-F165 HydrophobicContact CE2-CG 3.88Å; F153-F165 HydrophobicContact CG-CB 4.39Å; F153-F165 HydrophobicContact CZ-CB 3.49Å; F153-F165 VanDerWaalsContact CZ-CB 3.49Å; F153-F165 AromaticContact CZ-CD2 3.94Å; F153-F165 HydrophobicContact CZ-CD2 3.94Å; F153-F165 AromaticContact CZ-CG 3.85Å; F153-F165 HydrophobicContact CZ-CG 3.85Å; F153-F165 PolarHBondContact N-O 3.41Å; F153-F165 PolarHBondContact O-N 2.83Å; F153-F167 HydrophobicContact CD1-CD1 4.34Å; F153-F167 HydrophobicContact CE1-CD1 4.28Å |
| 154 | V | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.6 | 173.8 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | A144 I162 L164 V190 L199 | A144-V154 HydrophobicContact CB-CG1 3.98Å; A144-V154 PolarHBondContact N-O 3.38Å; A144-V154 WeakPolarHBondContact O-CG1 3.47Å; A144-V154 PolarHBondContact O-N 2.58Å; V154-I162 HydrophobicContact CG2-CG2 3.33Å; V154-L164 HydrophobicContact CB-CD1 3.87Å; V154-L164 HydrophobicContact CG2-CD1 4.44Å; V154-V190 HydrophobicContact CG1-CG2 3.85Å; V154-L199 HydrophobicContact CB-CD2 4.35Å; V154-L199 HydrophobicContact CG1-CD1 4.19Å; V154-L199 HydrophobicContact CG1-CD2 4.3Å; V154-L199 HydrophobicContact CG2-CD2 4.18Å |
| 155 | V | 94.7 | Very high | 92 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.3 | 175.4 | -160.5 | 0 | 0 | 0 | 0 | 109.2 | V105 V130 L140 F143 F153 I162 R163 F165 | V105-V155 HydrophobicContact CG2-CG2 4.11Å; V130-V155 HydrophobicContact CG1-CB 4.13Å; V130-V155 HydrophobicContact CG1-CG1 3.97Å; V130-V155 HydrophobicContact CG1-CG2 4.49Å; V130-V155 HydrophobicContact CG2-CG1 4.43Å; V130-V155 HydrophobicContact CG2-CG2 4.25Å; L140-V155 HydrophobicContact CD1-CG1 3.42Å; L140-V155 VanDerWaalsContact CD1-CG1 3.42Å; F143-V155 HydrophobicContact CD2-CG1 4.42Å; F143-V155 HydrophobicContact CD2-CG2 3.96Å; F143-V155 HydrophobicContact CE2-CG2 4.14Å; F153-V155 HydrophobicContact CD2-CG2 3.73Å; F153-V155 HydrophobicContact CE2-CG2 3.76Å; V155-I162 WeakPolarHBondContact O-CA 3.06Å; V155-R163 PolarHBondContact N-O 2.81Å; V155-R163 PolarHBondContact O-N 2.75Å; V155-F165 HydrophobicContact CG2-CD2 4.1Å; V155-F165 HydrophobicContact CG2-CE2 4.07Å |
| 156 | V | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.8 | 173.6 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | R141 D142 I162 C187 V190 | R141-V156 HydrophobicContact CB-CB 4.43Å; R141-V156 HydrophobicContact CB-CG1 4.17Å; R141-V156 HydrophobicContact CG-CG1 4.49Å; R141-V156 PolarHBondContact N-O 3.04Å; D142-V156 HydrophobicContact CB-CB 3.95Å; D142-V156 HydrophobicContact CB-CG2 4Å; D142-V156 PolarHBondContact N-O 3.05Å; D142-V156 PolarHBondContact O-N 2.77Å; V156-I162 HydrophobicContact CG1-CG1 4.48Å; V156-I162 HydrophobicContact CG2-CG1 4.36Å; V156-I162 HydrophobicContact CG2-CG2 4.47Å; V156-C187 HydrophobicContact CG1-CB 3.95Å; V156-V190 HydrophobicContact CG2-CB 4.41Å; V156-V190 HydrophobicContact CG2-CG1 3.72Å; V156-V190 HydrophobicContact CG2-CG2 3.78Å |
| 157 | L | 90.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 162.2 | 176.9 | -60.8 | 175.8 | 0 | 0 | 0 | 111 | V130 C131 R139 S159 G160 A161 | V130-L157 HydrophobicContact CG1-CD2 4.02Å; V130-L157 HydrophobicContact CG1-CG 4.48Å; C131-L157 HydrophobicContact CB-CD1 3.85Å; C131-L157 HydrophobicContact CB-CD2 4.32Å; R139-L157 CarbonylContact O-C 3.41Å; R139-L157 WeakPolarHBondContact O-CA 3.4Å; L157-S159 PolarHBondContact O-N 2.87Å; L157-G160 WeakPolarHBondContact O-CA 3.47Å; L157-G160 PolarHBondContact O-N 3.25Å; L157-A161 PolarHBondContact N-O 2.87Å |
| 158 | D | 87.5 | Confident | 91.1 | Very high | 44 Ų | 44 | 20.4 Ų | 20.4 | 24% | 0.235 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | 174.7 | -107.2 | -30.3 | 0 | 0 | 0 | 112.8 | R139 R141 G160 | R139-D158 HydrophobicContact CB-CB 4Å; R139-D158 VanDerWaalsContact CB-OD2 3.3Å; R139-D158 WeakPolarHBondContact CB-OD2 3.27Å; R139-D158 PolarHBondContact O-N 2.78Å; R141-D158 IonicContact CZ-OD1 2.94Å; R141-D158 IonicContact NE-OD1 3.83Å; R141-D158 IonicContact NH1-OD1 3.6Å; R141-D158 PolarHBondContact NH1-OD1 2.88Å; R141-D158 PolarHBondContact NH2-O 3.43Å; R141-D158 IonicContact NH2-OD1 3.42Å; R141-D158 PolarHBondContact NH2-OD1 3.22Å; D158-G160 PolarHBondContact O-N 2.91Å |
| 159 | S | 87.1 | Confident | 90.1 | Very high | 14 Ų | 14 | 20.8 Ų | 20.8 | 10% | 0.098 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3.4 | 167.6 | 58 | 0 | 0 | 0 | 0 | 114.6 | L157 A161 V183 | L157-S159 PolarHBondContact O-N 2.87Å; S159-A161 PolarHBondContact O-N 3.14Å; S159-V183 WeakPolarHBondContact O-CG1 3.47Å |
| 160 | G | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 72.1 | 5.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L157 D158 C187 | L157-G160 WeakPolarHBondContact O-CA 3.47Å; L157-G160 PolarHBondContact O-N 3.25Å; D158-G160 PolarHBondContact O-N 2.91Å; G160-C187 WeakPolarHBondContact CA-O 3.43Å; G160-C187 WeakPolarHBondContact O-CB 3.46Å; G160-C187 PolarHBondContact O-N 2.91Å |
| 161 | A | 90.5 | Very high | 87.8 | Confident | 9 Ų | 9 | 22.6 Ų | 22.6 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | trans | -73.9 | 143.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | L157 S159 V183 | L157-A161 PolarHBondContact N-O 2.87Å; S159-A161 PolarHBondContact O-N 3.14Å; A161-V183 HydrophobicContact CB-CG2 3.96Å | ||
| 162 | I | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.2 | 179.3 | -49 | -178.2 | 0 | 0 | 0 | 109.5 | V154 V155 V156 Q180 L181 C187 V190 I201 | V154-I162 HydrophobicContact CG2-CG2 3.33Å; V155-I162 WeakPolarHBondContact O-CA 3.06Å; V156-I162 HydrophobicContact CG1-CG1 4.48Å; V156-I162 HydrophobicContact CG2-CG1 4.36Å; V156-I162 HydrophobicContact CG2-CG2 4.47Å; I162-Q180 CarbonylContact O-C 3.47Å; I162-Q180 WeakPolarHBondContact O-CA 3.35Å; I162-Q180 VanDerWaalsContact O-CB 3.3Å; I162-Q180 WeakPolarHBondContact O-CB 3.15Å; I162-L181 HydrophobicContact CB-CB 4.16Å; I162-L181 HydrophobicContact CD1-CB 4.29Å; I162-L181 HydrophobicContact CD1-CD1 3.83Å; I162-L181 HydrophobicContact CD1-CG 4.26Å; I162-L181 HydrophobicContact CG1-CB 4.22Å; I162-L181 PolarHBondContact N-O 2.9Å; I162-L181 VanDerWaalsContact N-O 3.12Å; I162-L181 PolarHBondContact O-N 2.98Å; I162-C187 HydrophobicContact CD1-CB 3.63Å; I162-C187 WeakPolarHBondContact CD1-SG 3.2Å; I162-C187 HydrophobicContact CG1-CB 3.61Å; I162-V190 HydrophobicContact CD1-CG1 4.36Å; I162-I201 HydrophobicContact CD1-CD1 3.99Å; I162-I201 HydrophobicContact CD1-CG1 4.37Å; I162-I201 HydrophobicContact CD1-CG2 3.38Å |
| 163 | R | 92.5 | Very high | 85.1 | Confident | 71 Ų | 71 | 32.9 Ų | 32.9 | 27% | 0.268 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.8 | 170.7 | -60.1 | -173.9 | -168.7 | -154.9 | 1.1 | 109.8 | V130 V155 F165 L177 Q180 | V130-R163 PolarHBondContact O-NH1 2.76Å; V155-R163 PolarHBondContact N-O 2.81Å; V155-R163 PolarHBondContact O-N 2.75Å; R163-F165 HydrophobicContact CB-CD2 4.26Å; R163-F165 HydrophobicContact CB-CE2 3.52Å; R163-F165 HydrophobicContact CB-CZ 3.94Å; R163-L177 HydrophobicContact CB-CD1 3.79Å; R163-L177 HydrophobicContact CG-CD1 4.32Å; R163-Q180 HydrophobicContact CG-CB 4.47Å |
| 164 | L | 94.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.2 | 176.9 | -177.2 | 72.2 | 0 | 0 | 0 | 108.8 | T152 V154 V178 G179 W192 P224 L226 | T152-L164 HydrophobicContact CG2-CD1 3.81Å; T152-L164 HydrophobicContact CG2-CG 4.34Å; V154-L164 HydrophobicContact CB-CD1 3.87Å; V154-L164 HydrophobicContact CG2-CD1 4.44Å; L164-V178 HydrophobicContact CD2-CB 4.07Å; L164-V178 HydrophobicContact CD2-CG1 3.99Å; L164-V178 HydrophobicContact CG-CB 4.16Å; L164-V178 PolarHBondContact O-N 2.83Å; L164-G179 PolarHBondContact N-O 3.42Å; L164-G179 PolarHBondContact O-N 2.88Å; L164-W192 HydrophobicContact CD1-CH2 3.95Å; L164-W192 HydrophobicContact CD1-CZ2 3.84Å; L164-P224 WeakPolarHBondContact CD2-O 3.44Å; L164-L226 HydrophobicContact CB-CD1 4.35Å; L164-L226 HydrophobicContact CB-CD2 4.32Å; L164-L226 HydrophobicContact CB-CG 4.4Å; L164-L226 HydrophobicContact CD2-CD2 3.9Å; L164-L226 HydrophobicContact CD2-CG 4.01Å |
| 165 | F | 94 | Very high | 83.7 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148.8 | -177.4 | -65.6 | -86 | 0 | 0 | 0 | 111.7 | V128 V130 T152 F153 V155 R163 I175 T176 L177 | V128-F165 HydrophobicContact CG1-CD1 4.4Å; V128-F165 HydrophobicContact CG1-CE1 4.08Å; V128-F165 HydrophobicContact CG1-CZ 4.3Å; V130-F165 HydrophobicContact CG1-CE2 4.39Å; V130-F165 HydrophobicContact CG2-CE2 4.28Å; T152-F165 WeakPolarHBondContact CA-O 3.25Å; F153-F165 HydrophobicContact CD1-CB 4.14Å; F153-F165 HydrophobicContact CD2-CB 4.2Å; F153-F165 HydrophobicContact CD2-CD2 4.12Å; F153-F165 HydrophobicContact CE1-CB 3.69Å; F153-F165 HydrophobicContact CE2-CB 3.75Å; F153-F165 AromaticContact CE2-CD2 3.48Å; F153-F165 HydrophobicContact CE2-CD2 3.48Å; F153-F165 VanDerWaalsContact CE2-CD2 3.48Å; F153-F165 HydrophobicContact CE2-CE2 4.32Å; F153-F165 AromaticContact CE2-CG 3.88Å; F153-F165 HydrophobicContact CE2-CG 3.88Å; F153-F165 HydrophobicContact CG-CB 4.39Å; F153-F165 HydrophobicContact CZ-CB 3.49Å; F153-F165 VanDerWaalsContact CZ-CB 3.49Å; F153-F165 AromaticContact CZ-CD2 3.94Å; F153-F165 HydrophobicContact CZ-CD2 3.94Å; F153-F165 AromaticContact CZ-CG 3.85Å; F153-F165 HydrophobicContact CZ-CG 3.85Å; F153-F165 PolarHBondContact N-O 3.41Å; F153-F165 PolarHBondContact O-N 2.83Å; V155-F165 HydrophobicContact CG2-CD2 4.1Å; V155-F165 HydrophobicContact CG2-CE2 4.07Å; R163-F165 HydrophobicContact CB-CD2 4.26Å; R163-F165 HydrophobicContact CB-CE2 3.52Å; R163-F165 HydrophobicContact CB-CZ 3.94Å; F165-I175 HydrophobicContact CB-CG2 4.41Å; F165-I175 HydrophobicContact CD1-CG2 4.29Å; F165-T176 VanDerWaalsContact CA-O 3.3Å; F165-T176 WeakPolarHBondContact CA-O 3.43Å; F165-L177 HydrophobicContact CD1-CB 4.45Å; F165-L177 HydrophobicContact CD1-CD1 4.09Å; F165-L177 HydrophobicContact CE1-CB 4.39Å; F165-L177 HydrophobicContact CE1-CD1 3.81Å; F165-L177 HydrophobicContact CE2-CD1 4.42Å; F165-L177 HydrophobicContact CZ-CD1 4Å |
| 166 | N | 91.5 | Very high | 83.3 | Confident | 45 Ų | 45 | 40 Ų | 40 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.3 | 165.2 | -175.4 | -82.3 | 0 | 0 | 0 | 108.8 | T151 T152 I175 T176 V178 | T151-N166 CarbonylContact O-C 3.59Å; T151-N166 VanDerWaalsContact O-CA 3.31Å; T151-N166 WeakPolarHBondContact O-CA 3.31Å; T151-N166 PolarHBondContact OG1-ND2 2.85Å; T152-N166 PolarHBondContact OG1-ND2 3.4Å; N166-I175 WeakPolarHBondContact O-CG2 3.19Å; N166-T176 PolarHBondContact N-O 2.9Å; N166-T176 PolarHBondContact O-N 3.41Å; N166-T176 PolarHBondContact O-OG1 2.85Å; N166-V178 HydrophobicContact CB-CG2 3.51Å |
| 167 | F | 88.4 | Confident | 83.1 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | trans | -115.1 | 134 | 175.3 | 84 | -83.4 | 0 | 0 | 0 | 111 | I91 L107 W145 P150 T151 F153 P169 I175 | I91-F167 HydrophobicContact CB-CZ 4.12Å; I91-F167 HydrophobicContact CG1-CE2 4Å; I91-F167 HydrophobicContact CG1-CZ 3.73Å; I91-F167 HydrophobicContact CG2-CE2 4.4Å; I91-F167 HydrophobicContact CG2-CZ 4.02Å; L107-F167 HydrophobicContact CD1-CB 4.06Å; L107-F167 HydrophobicContact CD1-CD1 4.09Å; L107-F167 HydrophobicContact CD1-CD2 4.2Å; L107-F167 HydrophobicContact CD1-CG 3.83Å; W145-F167 AromaticContact CH2-CD1 3.86Å; W145-F167 HydrophobicContact CH2-CD1 3.86Å; W145-F167 AromaticContact CH2-CE1 3.38Å; W145-F167 HydrophobicContact CH2-CE1 3.38Å; W145-F167 HydrophobicContact CH2-CZ 4.29Å; W145-F167 AromaticContact CZ3-CD1 3.94Å; W145-F167 HydrophobicContact CZ3-CD1 3.94Å; W145-F167 AromaticContact CZ3-CE1 3.45Å; W145-F167 HydrophobicContact CZ3-CE1 3.45Å; W145-F167 VanDerWaalsContact CZ3-CE1 3.45Å; P150-F167 WeakPolarHBondContact O-CE1 3.49Å; P150-F167 WeakPolarHBondContact O-CZ 3.32Å; T151-F167 VanDerWaalsContact CB-O 3.22Å; T151-F167 WeakPolarHBondContact CB-O 3.43Å; T151-F167 WeakPolarHBondContact O-CD1 3.28Å; T151-F167 PolarHBondContact O-N 2.84Å; F153-F167 HydrophobicContact CD1-CD1 4.34Å; F153-F167 HydrophobicContact CE1-CD1 4.28Å; F167-P169 HydrophobicContact CE2-CB 4.33Å; F167-I175 HydrophobicContact CB-CB 4.36Å; F167-I175 HydrophobicContact CB-CD1 3.7Å; F167-I175 HydrophobicContact CB-CG1 3.7Å; F167-I175 HydrophobicContact CB-CG2 3.99Å | ||
| 168 | P | 79.2 | Confident | 83.1 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | trans | -75.4 | 126.9 | 176.5 | 32.3 | -35 | 0 | 0 | 0 | 109.3 | D170 G171 R173 | P168-D170 VanDerWaalsContact C-N 3.27Å; P168-D170 PolarHBondContact O-N 3Å; P168-G171 PolarHBondContact O-N 2.81Å; P168-R173 HydrophobicContact CB-CB 4.24Å; P168-R173 HydrophobicContact CG-CB 3.8Å; P168-R173 WeakPolarHBondContact CG-O 3.42Å | ||
| 169 | P | 69.1 | Low | 83.2 | Confident | 94 Ų | 94 | 44.2 Ų | 44.2 | 61% | 0.61 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -16.4 | -170.6 | 30.2 | -35.1 | 0 | 0 | 0 | 113.2 | T151 F167 G171 | T151-P169 HydrophobicContact CG2-CG 4.07Å; F167-P169 HydrophobicContact CE2-CB 4.33Å; P169-G171 PolarHBondContact O-N 3.36Å |
| 170 | D | 66 | Low | 83.4 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -3.3 | 173.3 | 72.3 | -11.7 | 0 | 0 | 0 | 113.5 | P168 S172 | P168-D170 VanDerWaalsContact C-N 3.27Å; P168-D170 PolarHBondContact O-N 3Å; D170-S172 PolarHBondContact O-N 2.86Å; D170-S172 PolarHBondContact OD1-N 2.85Å; D170-S172 PolarHBondContact OD1-OG 2.75Å; D170-S172 VanDerWaalsContact OD2-CB 3.23Å; D170-S172 WeakPolarHBondContact OD2-CB 3.48Å; D170-S172 PolarHBondContact OD2-OG 2.92Å |
| 171 | G | 66.2 | Low | 83.5 | Confident | 43 Ų | 43 | 50 Ų | 50 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 66.4 | -5.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P168 P169 | P168-G171 PolarHBondContact O-N 2.81Å; P169-G171 PolarHBondContact O-N 3.36Å |
| 172 | S | 63 | Low | 83.4 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | trans | -81.4 | -24 | -161.4 | 85.6 | 0 | 0 | 0 | 0 | 114.3 | D170 | D170-S172 PolarHBondContact O-N 2.86Å; D170-S172 PolarHBondContact OD1-N 2.85Å; D170-S172 PolarHBondContact OD1-OG 2.75Å; D170-S172 VanDerWaalsContact OD2-CB 3.23Å; D170-S172 WeakPolarHBondContact OD2-CB 3.48Å; D170-S172 PolarHBondContact OD2-OG 2.92Å | ||
| 173 | R | 65.4 | Low | 83.2 | Confident | 186 Ų | 186 | 56.4 Ų | 56.4 | 70% | 0.702 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -111.5 | 160.9 | 177.8 | -61.4 | 173 | -176.7 | -163.8 | -0.7 | 111 | R126 P168 | R126-R173 PolarHBondContact NH2-O 3.25Å; P168-R173 HydrophobicContact CB-CB 4.24Å; P168-R173 HydrophobicContact CG-CB 3.8Å; P168-R173 WeakPolarHBondContact CG-O 3.42Å |
| 174 | S | 75.7 | Confident | 83.1 | Confident | 53 Ų | 53 | 57 Ų | 57 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | trans | -61.4 | 150.4 | 172.1 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 175 | I | 85.2 | Confident | 82.8 | Confident | 30 Ų | 30 | 57 Ų | 57 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | trans | -73.4 | 131 | 170.6 | -59 | -172.9 | 0 | 0 | 0 | 107.9 | L107 R126 V128 F165 N166 F167 | L107-I175 HydrophobicContact CD1-CD1 3.7Å; R126-I175 HydrophobicContact CG-CD1 4.32Å; V128-I175 HydrophobicContact CG2-CB 4.48Å; V128-I175 HydrophobicContact CG2-CD1 3.38Å; V128-I175 HydrophobicContact CG2-CG1 4.43Å; V128-I175 HydrophobicContact CG2-CG2 4.26Å; F165-I175 HydrophobicContact CB-CG2 4.41Å; F165-I175 HydrophobicContact CD1-CG2 4.29Å; N166-I175 WeakPolarHBondContact O-CG2 3.19Å; F167-I175 HydrophobicContact CB-CB 4.36Å; F167-I175 HydrophobicContact CB-CD1 3.7Å; F167-I175 HydrophobicContact CB-CG1 3.7Å; F167-I175 HydrophobicContact CB-CG2 3.99Å | ||
| 176 | T | 87 | Confident | 82.7 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 139.8 | -174.1 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | F165 N166 V178 | F165-T176 VanDerWaalsContact CA-O 3.3Å; F165-T176 WeakPolarHBondContact CA-O 3.43Å; N166-T176 PolarHBondContact N-O 2.9Å; N166-T176 PolarHBondContact O-N 3.41Å; N166-T176 PolarHBondContact O-OG1 2.85Å; T176-V178 PolarHBondContact O-N 2.84Å |
| 177 | L | 89.9 | Confident | 82.8 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 112.8 | 163.5 | -175.7 | 72.3 | 0 | 0 | 0 | 107.1 | R163 F165 G179 Q180 | R163-L177 HydrophobicContact CB-CD1 3.79Å; R163-L177 HydrophobicContact CG-CD1 4.32Å; F165-L177 HydrophobicContact CD1-CB 4.45Å; F165-L177 HydrophobicContact CD1-CD1 4.09Å; F165-L177 HydrophobicContact CE1-CB 4.39Å; F165-L177 HydrophobicContact CE1-CD1 3.81Å; F165-L177 HydrophobicContact CE2-CD1 4.42Å; F165-L177 HydrophobicContact CZ-CD1 4Å; L177-G179 WeakPolarHBondContact CD1-O 3.32Å; L177-Q180 HydrophobicContact CD2-CB 4.44Å; L177-Q180 HydrophobicContact CD2-CG 4.48Å |
| 178 | V | 89.6 | Confident | 83 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 24% | 0.242 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -36.1 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | L164 N166 T176 P224 Q225 | L164-V178 HydrophobicContact CD2-CB 4.07Å; L164-V178 HydrophobicContact CD2-CG1 3.99Å; L164-V178 HydrophobicContact CG-CB 4.16Å; L164-V178 PolarHBondContact O-N 2.83Å; N166-V178 HydrophobicContact CB-CG2 3.51Å; T176-V178 PolarHBondContact O-N 2.84Å; V178-P224 WeakPolarHBondContact CG1-O 3.44Å; V178-Q225 VanDerWaalsContact CG1-NE2 3.28Å |
| 179 | G | 89.2 | Confident | 83.6 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | 169 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L164 L177 L226 | L164-G179 PolarHBondContact N-O 3.42Å; L164-G179 PolarHBondContact O-N 2.88Å; L177-G179 WeakPolarHBondContact CD1-O 3.32Å; G179-L226 VanDerWaalsContact C-CD1 3.44Å |
| 180 | Q | 91.6 | Very high | 84.9 | Confident | 118 Ų | 118 | 52.7 Ų | 52.7 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 151 | 176.6 | 60 | -177.4 | 1.4 | 0 | 0 | 111.1 | I162 R163 L177 | I162-Q180 CarbonylContact O-C 3.47Å; I162-Q180 WeakPolarHBondContact O-CA 3.35Å; I162-Q180 VanDerWaalsContact O-CB 3.3Å; I162-Q180 WeakPolarHBondContact O-CB 3.15Å; R163-Q180 HydrophobicContact CG-CB 4.47Å; L177-Q180 HydrophobicContact CD2-CB 4.44Å; L177-Q180 HydrophobicContact CD2-CG 4.48Å |
| 181 | L | 90.8 | Very high | 86.4 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.1 | 164.9 | -62.2 | -168.8 | 0 | 0 | 0 | 109.8 | I162 A185 I201 L203 L207 L220 L226 | I162-L181 HydrophobicContact CB-CB 4.16Å; I162-L181 HydrophobicContact CD1-CB 4.29Å; I162-L181 HydrophobicContact CD1-CD1 3.83Å; I162-L181 HydrophobicContact CD1-CG 4.26Å; I162-L181 HydrophobicContact CG1-CB 4.22Å; I162-L181 PolarHBondContact N-O 2.9Å; I162-L181 VanDerWaalsContact N-O 3.12Å; I162-L181 PolarHBondContact O-N 2.98Å; L181-A185 HydrophobicContact CB-CB 4.45Å; L181-I201 HydrophobicContact CD1-CD1 4.05Å; L181-L203 HydrophobicContact CD1-CD2 4.45Å; L181-L207 HydrophobicContact CD1-CD2 4.14Å; L181-L207 HydrophobicContact CD2-CD1 4.19Å; L181-L207 HydrophobicContact CD2-CD2 4.28Å; L181-L220 HydrophobicContact CD1-CD2 4.46Å; L181-L226 HydrophobicContact CD2-CD1 4.44Å; L181-L226 HydrophobicContact CG-CD1 4.43Å |
| 182 | P | 89.4 | Confident | 87.8 | Confident | 62 Ų | 62 | 48.3 Ų | 48.3 | 40% | 0.403 | 26% | 0.262 | S | S | . | . | trans | -71.6 | 160.2 | -176.7 | 31.1 | -37.1 | 0 | 0 | 0 | 112.7 | T184 A185 L207 | P182-T184 PolarHBondContact O-N 3.41Å; P182-T184 VanDerWaalsContact O-N 3.1Å; P182-A185 VanDerWaalsContact O-CB 3.28Å; P182-A185 WeakPolarHBondContact O-CB 3.29Å; P182-A185 PolarHBondContact O-N 2.97Å; P182-L207 HydrophobicContact CG-CD1 4.19Å | ||
| 183 | V | 89 | Confident | 89.2 | Confident | 81 Ų | 81 | 45.9 Ų | 45.9 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -46.4 | -37.2 | 171.3 | 171.6 | 0 | 0 | 0 | 0 | 112.6 | S159 A161 A185 D186 | S159-V183 WeakPolarHBondContact O-CG1 3.47Å; A161-V183 HydrophobicContact CB-CG2 3.96Å; V183-A185 PolarHBondContact O-N 2.86Å; V183-A185 VanDerWaalsContact O-N 3.1Å; V183-D186 PolarHBondContact O-N 2.92Å |
| 184 | T | 89.4 | Confident | 90.3 | Very high | 83 Ų | 83 | 40.3 Ų | 40.3 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -59.8 | -24.9 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | P182 D186 G205 S206 | P182-T184 PolarHBondContact O-N 3.41Å; P182-T184 VanDerWaalsContact O-N 3.1Å; T184-D186 PolarHBondContact O-N 2.8Å; T184-G205 CarbonylContact O-C 3.55Å; T184-G205 WeakPolarHBondContact O-CA 3.34Å; T184-S206 CarbonylContact C-O 3.21Å; T184-S206 WeakPolarHBondContact CB-O 3.45Å; T184-S206 PolarHBondContact O-N 2.81Å; T184-S206 VanDerWaalsContact O-O 3.05Å; T184-S206 PolarHBondContact OG1-O 3.05Å |
| 185 | A | 89 | Confident | 90.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -69 | -21.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L181 P182 V183 C187 L203 G205 S206 L207 | L181-A185 HydrophobicContact CB-CB 4.45Å; P182-A185 VanDerWaalsContact O-CB 3.28Å; P182-A185 WeakPolarHBondContact O-CB 3.29Å; P182-A185 PolarHBondContact O-N 2.97Å; V183-A185 PolarHBondContact O-N 2.86Å; V183-A185 VanDerWaalsContact O-N 3.1Å; A185-C187 PolarHBondContact O-N 2.9Å; A185-L203 HydrophobicContact CB-CD2 3.89Å; A185-G205 WeakPolarHBondContact O-CA 3.43Å; A185-G205 PolarHBondContact O-N 2.85Å; A185-S206 PolarHBondContact N-O 3.23Å; A185-L207 HydrophobicContact CB-CB 4.36Å; A185-L207 HydrophobicContact CB-CD1 4.25Å |
| 186 | D | 92.1 | Very high | 91.2 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | trans | 42.7 | 64.2 | -177.2 | -179.6 | 27.7 | 0 | 0 | 0 | 111.8 | V183 T184 R188 N204 | V183-D186 PolarHBondContact O-N 2.92Å; T184-D186 PolarHBondContact O-N 2.8Å; D186-R188 VanDerWaalsContact CG-NE 3.33Å; D186-R188 VanDerWaalsContact CG-NH2 3.29Å; D186-R188 IonicContact OD1-CZ 2.85Å; D186-R188 IonicContact OD1-NE 2.68Å; D186-R188 PolarHBondContact OD1-NE 3.2Å; D186-R188 IonicContact OD1-NH2 3.18Å; D186-R188 PolarHBondContact OD1-NH2 3.45Å; D186-R188 IonicContact OD2-CZ 2.67Å; D186-R188 IonicContact OD2-NE 3.71Å; D186-R188 PolarHBondContact OD2-NE 3.34Å; D186-R188 IonicContact OD2-NH2 3.62Å; D186-R188 PolarHBondContact OD2-NH2 2.72Å; D186-N204 PolarHBondContact O-N 2.7Å; D186-N204 WeakPolarHBondContact OD2-CB 3.01Å; D186-N204 PolarHBondContact OD2-ND2 3.05Å | ||
| 187 | C | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133.7 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | R141 V156 G160 I162 A185 I201 C202 L203 | R141-C187 VanDerWaalsContact CD-O 3.27Å; R141-C187 WeakPolarHBondContact CD-O 3.49Å; R141-C187 PolarHBondContact NE-O 3.01Å; V156-C187 HydrophobicContact CG1-CB 3.95Å; G160-C187 WeakPolarHBondContact CA-O 3.43Å; G160-C187 WeakPolarHBondContact O-CB 3.46Å; G160-C187 PolarHBondContact O-N 2.91Å; I162-C187 HydrophobicContact CD1-CB 3.63Å; I162-C187 WeakPolarHBondContact CD1-SG 3.2Å; I162-C187 HydrophobicContact CG1-CB 3.61Å; A185-C187 PolarHBondContact O-N 2.9Å; C187-I201 HydrophobicContact CB-CG2 4.43Å; C187-I201 VanDerWaalsContact SG-CG2 3.58Å; C187-C202 WeakPolarHBondContact CA-O 3.08Å; C187-C202 PolarHBondContact SG-O 3.09Å; C187-L203 HydrophobicContact CB-CD2 4.03Å |
| 188 | R | 92.5 | Very high | 91.6 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -39.6 | -179.3 | -62.5 | -59.8 | 175.6 | 143 | -4.4 | 114.1 | R141 D186 C202 N204 P249 | R141-R188 WeakPolarHBondContact CD-O 3.36Å; R141-R188 WeakPolarHBondContact CG-O 3.28Å; D186-R188 VanDerWaalsContact CG-NE 3.33Å; D186-R188 VanDerWaalsContact CG-NH2 3.29Å; D186-R188 IonicContact OD1-CZ 2.85Å; D186-R188 IonicContact OD1-NE 2.68Å; D186-R188 PolarHBondContact OD1-NE 3.2Å; D186-R188 IonicContact OD1-NH2 3.18Å; D186-R188 PolarHBondContact OD1-NH2 3.45Å; D186-R188 IonicContact OD2-CZ 2.67Å; D186-R188 IonicContact OD2-NE 3.71Å; D186-R188 PolarHBondContact OD2-NE 3.34Å; D186-R188 IonicContact OD2-NH2 3.62Å; D186-R188 PolarHBondContact OD2-NH2 2.72Å; R188-C202 PolarHBondContact N-O 3.06Å; R188-N204 HydrophobicContact CG-CB 3.99Å; R188-P249 HydrophobicContact CB-CB 4.1Å |
| 189 | C | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 159.4 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | D142 C202 V250 D251 | D142-C189 VanDerWaalsContact OD2-CA 3.25Å; D142-C189 WeakPolarHBondContact OD2-CA 3.44Å; C189-C202 PolarHBondContact O-N 3.25Å; C189-C202 VanDerWaalsContact SG-SG 3.69Å; C189-V250 WeakPolarHBondContact CB-O 3.49Å; C189-D251 VanDerWaalsContact SG-C 3.57Å; C189-D251 VanDerWaalsContact SG-CA 3.59Å |
| 190 | V | 95.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.1 | -176.5 | -69.4 | 0 | 0 | 0 | 0 | 111.7 | D142 V154 V156 I162 L199 A200 I201 | D142-V190 HydrophobicContact CB-CG2 4.36Å; D142-V190 WeakPolarHBondContact OD2-CG2 3.34Å; D142-V190 PolarHBondContact OD2-N 2.71Å; V154-V190 HydrophobicContact CG1-CG2 3.85Å; V156-V190 HydrophobicContact CG2-CB 4.41Å; V156-V190 HydrophobicContact CG2-CG1 3.72Å; V156-V190 HydrophobicContact CG2-CG2 3.78Å; I162-V190 HydrophobicContact CD1-CG1 4.36Å; V190-L199 HydrophobicContact CB-CD1 4.22Å; V190-A200 CarbonylContact C-O 3.53Å; V190-A200 VanDerWaalsContact CA-O 3.31Å; V190-A200 WeakPolarHBondContact CA-O 3.44Å; V190-I201 HydrophobicContact CG1-CB 4.42Å; V190-I201 HydrophobicContact CG1-CG1 4.15Å; V190-I201 HydrophobicContact CG1-CG2 4.23Å |
| 191 | S | 96.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 124.5 | 176.9 | -156.2 | 0 | 0 | 0 | 0 | 111.2 | A200 L252 L253 W254 | S191-A200 PolarHBondContact N-O 2.88Å; S191-A200 PolarHBondContact O-N 2.96Å; S191-L252 WeakPolarHBondContact CB-O 3.36Å; S191-L252 PolarHBondContact OG-O 2.88Å; S191-L252 VanDerWaalsContact OG-O 3.14Å; S191-L253 WeakPolarHBondContact OG-CA 3.45Å; S191-W254 PolarHBondContact OG-N 3.24Å |
| 192 | W | 95.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 140.7 | 172.5 | -71.2 | 100.5 | 0 | 0 | 0 | 110.5 | A144 W145 P147 T152 L164 L199 P224 | A144-W192 PolarHBondContact O-NE1 3.12Å; A144-W192 VanDerWaalsContact O-NE1 3.14Å; W145-W192 PolarHBondContact O-NE1 2.88Å; P147-W192 VanDerWaalsContact CD-CB 3.43Å; P147-W192 HydrophobicContact CG-CB 3.95Å; T152-W192 HydrophobicContact CG2-CH2 3.96Å; T152-W192 HydrophobicContact CG2-CZ2 4.04Å; L164-W192 HydrophobicContact CD1-CH2 3.95Å; L164-W192 HydrophobicContact CD1-CZ2 3.84Å; W192-L199 HydrophobicContact CD2-CB 4.41Å; W192-L199 HydrophobicContact CD2-CD1 3.75Å; W192-L199 HydrophobicContact CE3-CB 3.96Å; W192-L199 HydrophobicContact CE3-CD1 4.18Å; W192-L199 HydrophobicContact CG-CD1 3.96Å; W192-L199 HydrophobicContact CH2-CB 4.45Å; W192-L199 HydrophobicContact CZ2-CD1 4.4Å; W192-L199 HydrophobicContact CZ3-CB 3.98Å; W192-P224 HydrophobicContact CH2-CB 4.41Å; W192-P224 HydrophobicContact CZ3-CB 4.35Å; W192-P224 HydrophobicContact CZ3-CG 4.15Å |
| 193 | S | 94 | Very high | 92.9 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | trans | -58.1 | 149.7 | 168.3 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | K195 G196 K197 Q198 W254 | S193-K195 PolarHBondContact O-N 3.4Å; S193-G196 PolarHBondContact O-N 2.95Å; S193-K197 PolarHBondContact OG-N 3.38Å; S193-Q198 WeakPolarHBondContact CB-O 3.49Å; S193-Q198 PolarHBondContact N-O 2.91Å; S193-Q198 PolarHBondContact OG-N 2.67Å; S193-Q198 VanDerWaalsContact OG-N 3.1Å; S193-Q198 PolarHBondContact OG-O 2.92Å; S193-W254 VanDerWaalsContact CA-CE3 3.48Å; S193-W254 VanDerWaalsContact N-CE3 3.33Å | ||
| 194 | P | 88.5 | Confident | 93 | Very high | 68 Ų | 68 | 33.3 Ų | 33.3 | 44% | 0.442 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 1.3 | 179.9 | -27.3 | 35.5 | 0 | 0 | 0 | 116.6 | W254 | P194-W254 WeakPolarHBondContact CD-O 3.48Å; P194-W254 VanDerWaalsContact CG-O 3.26Å; P194-W254 WeakPolarHBondContact CG-O 2.9Å |
| 195 | K | 87.8 | Confident | 93 | Very high | 155 Ų | 155 | 30.2 Ų | 30.2 | 67% | 0.674 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | 12 | 176.7 | -58.5 | -172 | 179.3 | -174.9 | 0 | 112.8 | S193 K197 | S193-K195 PolarHBondContact O-N 3.4Å; K195-K197 HydrophobicContact CB-CG 4.4Å; K195-K197 WeakPolarHBondContact O-CG 3.28Å; K195-K197 PolarHBondContact O-N 3.01Å |
| 196 | G | 90.6 | Very high | 93 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 62.2 | -6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | T148 S193 Q198 | T148-G196 WeakPolarHBondContact OG1-CA 3.45Å; S193-G196 PolarHBondContact O-N 2.95Å; G196-Q198 PolarHBondContact O-N 2.88Å |
| 197 | K | 92.2 | Very high | 92.9 | Very high | 160 Ų | 160 | 32 Ų | 32 | 70% | 0.696 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -70.9 | -15.7 | -174.1 | -60.2 | -158 | 176.1 | -166.3 | 0 | 114.8 | S193 K195 P224 | S193-K197 PolarHBondContact OG-N 3.38Å; K195-K197 HydrophobicContact CB-CG 4.4Å; K195-K197 WeakPolarHBondContact O-CG 3.28Å; K195-K197 PolarHBondContact O-N 3.01Å; K197-P224 WeakPolarHBondContact O-CD 3.44Å |
| 198 | Q | 94.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | trans | -149.4 | 153.4 | -179.9 | -66.4 | -172.5 | 25.6 | 0 | 0 | 110.4 | S193 G196 V222 W254 | S193-Q198 WeakPolarHBondContact CB-O 3.49Å; S193-Q198 PolarHBondContact N-O 2.91Å; S193-Q198 PolarHBondContact OG-N 2.67Å; S193-Q198 VanDerWaalsContact OG-N 3.1Å; S193-Q198 PolarHBondContact OG-O 2.92Å; G196-Q198 PolarHBondContact O-N 2.88Å; Q198-V222 CarbonylContact C-O 3.18Å; Q198-V222 WeakPolarHBondContact CA-O 3.36Å; Q198-V222 VanDerWaalsContact CB-O 3.22Å; Q198-V222 WeakPolarHBondContact CB-O 3.49Å; Q198-W254 HydrophobicContact CB-CH2 3.56Å; Q198-W254 HydrophobicContact CB-CZ3 3.64Å; Q198-W254 HydrophobicContact CG-CH2 4.48Å | ||
| 199 | L | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.5 | 173.7 | 178.4 | 68.1 | 0 | 0 | 0 | 108.5 | V154 V190 W192 I201 V222 L226 | V154-L199 HydrophobicContact CB-CD2 4.35Å; V154-L199 HydrophobicContact CG1-CD1 4.19Å; V154-L199 HydrophobicContact CG1-CD2 4.3Å; V154-L199 HydrophobicContact CG2-CD2 4.18Å; V190-L199 HydrophobicContact CB-CD1 4.22Å; W192-L199 HydrophobicContact CD2-CB 4.41Å; W192-L199 HydrophobicContact CD2-CD1 3.75Å; W192-L199 HydrophobicContact CE3-CB 3.96Å; W192-L199 HydrophobicContact CE3-CD1 4.18Å; W192-L199 HydrophobicContact CG-CD1 3.96Å; W192-L199 HydrophobicContact CH2-CB 4.45Å; W192-L199 HydrophobicContact CZ2-CD1 4.4Å; W192-L199 HydrophobicContact CZ3-CB 3.98Å; L199-I201 HydrophobicContact CD2-CD1 4.21Å; L199-I201 HydrophobicContact CD2-CG1 4.15Å; L199-I201 HydrophobicContact CG-CG1 4.05Å; L199-V222 HydrophobicContact CB-CG2 3.88Å; L199-V222 HydrophobicContact CD2-CG2 4.4Å; L199-V222 HydrophobicContact CG-CG2 4.46Å; L199-V222 PolarHBondContact N-O 2.99Å; L199-V222 PolarHBondContact O-N 3.13Å; L199-L226 HydrophobicContact CD2-CD2 4.36Å |
| 200 | A | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V190 S191 I219 L220 L252 W254 Y260 | V190-A200 CarbonylContact C-O 3.53Å; V190-A200 VanDerWaalsContact CA-O 3.31Å; V190-A200 WeakPolarHBondContact CA-O 3.44Å; S191-A200 PolarHBondContact N-O 2.88Å; S191-A200 PolarHBondContact O-N 2.96Å; A200-I219 HydrophobicContact CB-CG2 3.8Å; A200-L220 WeakPolarHBondContact CA-O 3.13Å; A200-L252 HydrophobicContact CB-CD2 3.71Å; A200-W254 HydrophobicContact CB-CD2 4.05Å; A200-W254 HydrophobicContact CB-CE3 3.37Å; A200-W254 HydrophobicContact CB-CZ3 3.68Å; A200-Y260 HydrophobicContact CB-CE1 3.93Å |
| 201 | I | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 116.7 | -172.1 | -56.3 | 176.7 | 0 | 0 | 0 | 107.9 | I162 L181 C187 V190 L199 L203 I219 L220 V222 L226 | I162-I201 HydrophobicContact CD1-CD1 3.99Å; I162-I201 HydrophobicContact CD1-CG1 4.37Å; I162-I201 HydrophobicContact CD1-CG2 3.38Å; L181-I201 HydrophobicContact CD1-CD1 4.05Å; C187-I201 HydrophobicContact CB-CG2 4.43Å; C187-I201 VanDerWaalsContact SG-CG2 3.58Å; V190-I201 HydrophobicContact CG1-CB 4.42Å; V190-I201 HydrophobicContact CG1-CG1 4.15Å; V190-I201 HydrophobicContact CG1-CG2 4.23Å; L199-I201 HydrophobicContact CD2-CD1 4.21Å; L199-I201 HydrophobicContact CD2-CG1 4.15Å; L199-I201 HydrophobicContact CG-CG1 4.05Å; I201-L203 HydrophobicContact CG2-CD2 3.49Å; I201-L203 VanDerWaalsContact CG2-CD2 3.49Å; I201-L203 HydrophobicContact CG2-CG 3.99Å; I201-L203 PolarHBondContact O-N 2.88Å; I201-I219 CarbonylContact O-C 3.04Å; I201-I219 WeakPolarHBondContact O-CA 3.3Å; I201-L220 HydrophobicContact CB-CB 4.44Å; I201-L220 PolarHBondContact N-O 3.11Å; I201-L220 PolarHBondContact O-N 3.29Å; I201-V222 HydrophobicContact CD1-CG1 4.2Å; I201-V222 HydrophobicContact CD1-CG2 3.75Å; I201-V222 HydrophobicContact CG1-CG2 4.44Å; I201-L226 HydrophobicContact CD1-CD2 4.49Å |
| 202 | C | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 114.8 | 170.1 | -71.5 | 0 | 0 | 0 | 0 | 109.3 | C187 R188 C189 L218 P249 | C187-C202 WeakPolarHBondContact CA-O 3.08Å; C187-C202 PolarHBondContact SG-O 3.09Å; R188-C202 PolarHBondContact N-O 3.06Å; C189-C202 PolarHBondContact O-N 3.25Å; C189-C202 VanDerWaalsContact SG-SG 3.69Å; C202-L218 WeakPolarHBondContact CA-O 3.47Å; C202-P249 HydrophobicContact CB-CB 3.97Å; C202-P249 HydrophobicContact CB-CG 4.44Å |
| 203 | L | 93.6 | Very high | 89 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.2 | 175.9 | -61.6 | -174.9 | 0 | 0 | 0 | 109.7 | L181 A185 C187 I201 L207 G216 P217 L218 L220 | L181-L203 HydrophobicContact CD1-CD2 4.45Å; A185-L203 HydrophobicContact CB-CD2 3.89Å; C187-L203 HydrophobicContact CB-CD2 4.03Å; I201-L203 HydrophobicContact CG2-CD2 3.49Å; I201-L203 VanDerWaalsContact CG2-CD2 3.49Å; I201-L203 HydrophobicContact CG2-CG 3.99Å; I201-L203 PolarHBondContact O-N 2.88Å; L203-L207 HydrophobicContact CD1-CB 4.18Å; L203-L207 HydrophobicContact CD1-CD2 3.89Å; L203-G216 WeakPolarHBondContact O-CA 3.3Å; L203-P217 WeakPolarHBondContact O-CA 3.11Å; L203-L218 HydrophobicContact CB-CD1 3.97Å; L203-L218 HydrophobicContact CB-CG 4.42Å; L203-L218 HydrophobicContact CD1-CD1 4.23Å; L203-L218 HydrophobicContact CG-CD1 4.31Å; L203-L218 PolarHBondContact N-O 3.02Å; L203-L218 PolarHBondContact O-N 3.42Å; L203-L220 HydrophobicContact CD1-CB 4.12Å; L203-L220 HydrophobicContact CD1-CD2 3.83Å; L203-L220 HydrophobicContact CG-CB 4.46Å |
| 204 | N | 91.6 | Very high | 88.5 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | trans | -110.6 | -16.8 | 175.4 | -175.9 | 73.1 | 0 | 0 | 0 | 112.4 | D186 R188 L248 | D186-N204 PolarHBondContact O-N 2.7Å; D186-N204 WeakPolarHBondContact OD2-CB 3.01Å; D186-N204 PolarHBondContact OD2-ND2 3.05Å; R188-N204 HydrophobicContact CG-CB 3.99Å; N204-L248 WeakPolarHBondContact OD1-CD2 3.38Å | ||
| 205 | G | 89.8 | Confident | 88.5 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 19% | 0.186 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -100.1 | -149.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T184 A185 G216 | T184-G205 CarbonylContact O-C 3.55Å; T184-G205 WeakPolarHBondContact O-CA 3.34Å; A185-G205 WeakPolarHBondContact O-CA 3.43Å; A185-G205 PolarHBondContact O-N 2.85Å; G205-G216 PolarHBondContact O-N 3.32Å |
| 206 | S | 88.4 | Confident | 88.3 | Confident | 56 Ų | 56 | 51 Ų | 51 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.3 | 179.9 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | T184 A185 M214 | T184-S206 CarbonylContact C-O 3.21Å; T184-S206 WeakPolarHBondContact CB-O 3.45Å; T184-S206 PolarHBondContact O-N 2.81Å; T184-S206 VanDerWaalsContact O-O 3.05Å; T184-S206 PolarHBondContact OG1-O 3.05Å; A185-S206 PolarHBondContact N-O 3.23Å; S206-M214 WeakPolarHBondContact CA-O 3.46Å |
| 207 | L | 88.8 | Confident | 88.3 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.7 | 176.5 | -178.2 | 66.4 | 0 | 0 | 0 | 109.7 | L181 P182 A185 L203 T209 M214 L220 | L181-L207 HydrophobicContact CD1-CD2 4.14Å; L181-L207 HydrophobicContact CD2-CD1 4.19Å; L181-L207 HydrophobicContact CD2-CD2 4.28Å; P182-L207 HydrophobicContact CG-CD1 4.19Å; A185-L207 HydrophobicContact CB-CB 4.36Å; A185-L207 HydrophobicContact CB-CD1 4.25Å; L203-L207 HydrophobicContact CD1-CB 4.18Å; L203-L207 HydrophobicContact CD1-CD2 3.89Å; L207-T209 HydrophobicContact CD2-CG2 4.1Å; L207-T209 HydrophobicContact CG-CG2 4.04Å; L207-T209 PolarHBondContact O-N 3.21Å; L207-M214 PolarHBondContact N-O 2.88Å; L207-M214 PolarHBondContact O-N 3.18Å; L207-L220 HydrophobicContact CD2-CD2 3.8Å |
| 208 | S | 83.7 | Confident | 88.4 | Confident | 96 Ų | 96 | 44.9 Ų | 44.9 | 67% | 0.671 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.7 | 169.8 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 209 | T | 81 | Confident | 88.4 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 167.8 | 177.1 | 74.2 | 0 | 0 | 0 | 0 | 110.2 | L207 N211 G212 M214 | L207-T209 HydrophobicContact CD2-CG2 4.1Å; L207-T209 HydrophobicContact CG-CG2 4.04Å; L207-T209 PolarHBondContact O-N 3.21Å; T209-N211 PolarHBondContact O-N 3.48Å; T209-N211 VanDerWaalsContact O-N 3.1Å; T209-N211 PolarHBondContact OG1-N 2.82Å; T209-N211 VanDerWaalsContact OG1-N 3.13Å; T209-G212 PolarHBondContact N-O 3.28Å; T209-G212 PolarHBondContact O-N 2.88Å; T209-G212 PolarHBondContact OG1-N 2.79Å; T209-G212 PolarHBondContact OG1-O 3.44Å; T209-M214 HydrophobicContact CG2-CG 4.07Å; T209-M214 HydrophobicContact CG2-SD 3.77Å |
| 210 | A | 75.5 | Confident | 88.3 | Confident | 108 Ų | 108 | 42.5 Ų | 42.5 | 89% | 0.893 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 211 | N | 76.8 | Confident | 88.2 | Confident | 128 Ų | 128 | 43.1 Ų | 43.1 | 68% | 0.684 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 10.1 | 177.4 | -56.9 | -46.9 | 0 | 0 | 0 | 112.9 | T209 Q228 | T209-N211 PolarHBondContact O-N 3.48Å; T209-N211 VanDerWaalsContact O-N 3.1Å; T209-N211 PolarHBondContact OG1-N 2.82Å; T209-N211 VanDerWaalsContact OG1-N 3.13Å; N211-Q228 PolarHBondContact ND2-OE1 3.17Å |
| 212 | G | 83.2 | Confident | 88.1 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.9 | -174.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T209 M214 | T209-G212 PolarHBondContact N-O 3.28Å; T209-G212 PolarHBondContact O-N 2.88Å; T209-G212 PolarHBondContact OG1-N 2.79Å; T209-G212 PolarHBondContact OG1-O 3.44Å; G212-M214 PolarHBondContact O-N 2.83Å |
| 213 | I | 84.8 | Confident | 88 | Confident | 131 Ų | 131 | 44.6 Ų | 44.6 | 67% | 0.672 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 116.9 | 179.1 | -57 | 174.7 | 0 | 0 | 0 | 109 | ||
| 214 | M | 84.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 138.6 | 165.8 | -69.3 | -179.8 | 51.1 | 0 | 0 | 109.7 | S206 L207 T209 G212 L218 L220 I231 | S206-M214 WeakPolarHBondContact CA-O 3.46Å; L207-M214 PolarHBondContact N-O 2.88Å; L207-M214 PolarHBondContact O-N 3.18Å; T209-M214 HydrophobicContact CG2-CG 4.07Å; T209-M214 HydrophobicContact CG2-SD 3.77Å; G212-M214 PolarHBondContact O-N 2.83Å; M214-L218 HydrophobicContact CB-CD2 4.33Å; M214-L218 HydrophobicContact CE-CD1 3.56Å; M214-L218 HydrophobicContact CE-CD2 3.53Å; M214-L218 HydrophobicContact CE-CG 4.24Å; M214-L220 HydrophobicContact CE-CB 4.24Å; M214-L220 HydrophobicContact CE-CD1 3.99Å; M214-L220 HydrophobicContact CE-CG 4.49Å; M214-L220 HydrophobicContact SD-CD1 4.28Å; M214-I231 HydrophobicContact CE-CB 4.43Å; M214-I231 HydrophobicContact CE-CD1 3.66Å; M214-I231 HydrophobicContact CE-CG1 3.64Å; M214-I231 HydrophobicContact CE-CG2 4.02Å; M214-I231 HydrophobicContact CG-CD1 4.05Å; M214-I231 HydrophobicContact SD-CD1 3.64Å; M214-I231 HydrophobicContact SD-CG1 4.03Å |
| 215 | Q | 87.5 | Confident | 87.4 | Confident | 156 Ų | 156 | 49.8 Ų | 49.8 | 73% | 0.729 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.3 | 177.2 | -175.7 | 173 | -2.5 | 0 | 0 | 110 | L218 | Q215-L218 WeakPolarHBondContact O-CD2 3.38Å |
| 216 | G | 85.2 | Confident | 87.4 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -74 | 172.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L203 G205 | L203-G216 WeakPolarHBondContact O-CA 3.3Å; G205-G216 PolarHBondContact O-N 3.32Å |
| 217 | P | 90.5 | Very high | 87.4 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | S | Bend | cis | -79.4 | 132.9 | 4.1 | 29.7 | -32.7 | 0 | 0 | 0 | 112.9 | L203 L234 G235 F238 | L203-P217 WeakPolarHBondContact O-CA 3.11Å; P217-L234 HydrophobicContact CB-CB 4.28Å; P217-L234 CarbonylContact O-C 3.56Å; P217-L234 WeakPolarHBondContact O-CA 3.22Å; P217-L234 WeakPolarHBondContact O-CB 3.12Å; P217-L234 PolarHBondContact O-N 3.35Å; P217-G235 PolarHBondContact O-N 3.38Å; P217-G235 VanDerWaalsContact O-N 3.07Å; P217-F238 HydrophobicContact CB-CD2 4.15Å; P217-F238 HydrophobicContact CB-CE2 3.99Å; P217-F238 HydrophobicContact CG-CD2 3.71Å; P217-F238 HydrophobicContact CG-CE2 4.09Å |
| 218 | L | 93.4 | Very high | 87.4 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 164.3 | 177.4 | 61 | 80.6 | 0 | 0 | 0 | 112.6 | C202 L203 M214 Q215 L220 I231 V232 | C202-L218 WeakPolarHBondContact CA-O 3.47Å; L203-L218 HydrophobicContact CB-CD1 3.97Å; L203-L218 HydrophobicContact CB-CG 4.42Å; L203-L218 HydrophobicContact CD1-CD1 4.23Å; L203-L218 HydrophobicContact CG-CD1 4.31Å; L203-L218 PolarHBondContact N-O 3.02Å; L203-L218 PolarHBondContact O-N 3.42Å; M214-L218 HydrophobicContact CB-CD2 4.33Å; M214-L218 HydrophobicContact CE-CD1 3.56Å; M214-L218 HydrophobicContact CE-CD2 3.53Å; M214-L218 HydrophobicContact CE-CG 4.24Å; Q215-L218 WeakPolarHBondContact O-CD2 3.38Å; L218-L220 HydrophobicContact CD1-CB 3.84Å; L218-I231 HydrophobicContact CB-CG2 4.28Å; L218-I231 HydrophobicContact CD1-CG2 4.37Å; L218-I231 HydrophobicContact CD2-CG2 3.93Å; L218-I231 HydrophobicContact CG-CG2 4.44Å; L218-V232 WeakPolarHBondContact CA-O 3.43Å; L218-V232 WeakPolarHBondContact CB-O 3.47Å |
| 219 | I | 94.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.6 | 164.2 | -41.8 | 178.6 | 0 | 0 | 0 | 108.6 | A200 I201 V232 L234 L252 Y260 | A200-I219 HydrophobicContact CB-CG2 3.8Å; I201-I219 CarbonylContact O-C 3.04Å; I201-I219 WeakPolarHBondContact O-CA 3.3Å; I219-V232 HydrophobicContact CB-CB 4.17Å; I219-V232 PolarHBondContact N-O 3.01Å; I219-V232 PolarHBondContact O-N 3.1Å; I219-L234 HydrophobicContact CD1-CD1 4.46Å; I219-L234 HydrophobicContact CD1-CD2 4.42Å; I219-L234 HydrophobicContact CG1-CD1 3.83Å; I219-L234 HydrophobicContact CG1-CD2 4.29Å; I219-L234 HydrophobicContact CG1-CG 4.16Å; I219-L252 HydrophobicContact CD1-CD1 3.96Å; I219-L252 HydrophobicContact CG2-CD2 4.17Å; I219-Y260 HydrophobicContact CD1-CD1 4.3Å; I219-Y260 HydrophobicContact CD1-CD2 4.16Å; I219-Y260 HydrophobicContact CD1-CG 4.07Å |
| 220 | L | 93.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.1 | 171.4 | 168.8 | 63 | 0 | 0 | 0 | 108.8 | L181 A200 I201 L203 L207 M214 L218 V222 Q228 | L181-L220 HydrophobicContact CD1-CD2 4.46Å; A200-L220 WeakPolarHBondContact CA-O 3.13Å; I201-L220 HydrophobicContact CB-CB 4.44Å; I201-L220 PolarHBondContact N-O 3.11Å; I201-L220 PolarHBondContact O-N 3.29Å; L203-L220 HydrophobicContact CD1-CB 4.12Å; L203-L220 HydrophobicContact CD1-CD2 3.83Å; L203-L220 HydrophobicContact CG-CB 4.46Å; L207-L220 HydrophobicContact CD2-CD2 3.8Å; M214-L220 HydrophobicContact CE-CB 4.24Å; M214-L220 HydrophobicContact CE-CD1 3.99Å; M214-L220 HydrophobicContact CE-CG 4.49Å; M214-L220 HydrophobicContact SD-CD1 4.28Å; L218-L220 HydrophobicContact CD1-CB 3.84Å; L220-V222 HydrophobicContact CD1-CG1 4.12Å; L220-V222 HydrophobicContact CD2-CG1 3.87Å; L220-V222 HydrophobicContact CG-CG1 3.76Å; L220-Q228 HydrophobicContact CD1-CB 4.14Å; L220-Q228 HydrophobicContact CD1-CG 3.8Å |
| 221 | Q | 94.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.3 | 166.8 | -60.8 | -179.1 | -4.5 | 0 | 0 | 109.1 | K229 R230 W254 Y260 | Q221-K229 PolarHBondContact O-N 2.85Å; Q221-R230 HydrophobicContact CB-CB 3.92Å; Q221-R230 HydrophobicContact CG-CB 4.01Å; Q221-R230 PolarHBondContact N-O 2.85Å; Q221-R230 PolarHBondContact O-N 3.15Å; Q221-W254 HydrophobicContact CB-CH2 4.16Å; Q221-W254 HydrophobicContact CG-CH2 3.71Å; Q221-W254 HydrophobicContact CG-CZ2 4.15Å; Q221-W254 HydrophobicContact CG-CZ3 4.41Å; Q221-Y260 PolarHBondContact NE2-OH 3.29Å |
| 222 | V | 93.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 164.6 | 171.3 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | Q198 L199 I201 L220 L226 Q227 | Q198-V222 CarbonylContact C-O 3.18Å; Q198-V222 WeakPolarHBondContact CA-O 3.36Å; Q198-V222 VanDerWaalsContact CB-O 3.22Å; Q198-V222 WeakPolarHBondContact CB-O 3.49Å; L199-V222 HydrophobicContact CB-CG2 3.88Å; L199-V222 HydrophobicContact CD2-CG2 4.4Å; L199-V222 HydrophobicContact CG-CG2 4.46Å; L199-V222 PolarHBondContact N-O 2.99Å; L199-V222 PolarHBondContact O-N 3.13Å; I201-V222 HydrophobicContact CD1-CG1 4.2Å; I201-V222 HydrophobicContact CD1-CG2 3.75Å; I201-V222 HydrophobicContact CG1-CG2 4.44Å; L220-V222 HydrophobicContact CD1-CG1 4.12Å; L220-V222 HydrophobicContact CD2-CG1 3.87Å; L220-V222 HydrophobicContact CG-CG1 3.76Å; V222-L226 HydrophobicContact CG2-CD2 3.86Å; V222-Q227 CarbonylContact C-O 3.57Å; V222-Q227 VanDerWaalsContact CA-O 3.28Å; V222-Q227 WeakPolarHBondContact CA-O 3.18Å |
| 223 | D | 92.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | trans | -85.2 | 176.5 | 163.9 | 65.2 | 19.8 | 0 | 0 | 0 | 112.4 | Q225 L226 Q227 K229 | D223-Q225 PolarHBondContact O-N 2.76Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.44Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.19Å; D223-Q225 PolarHBondContact OD1-N 3.36Å; D223-L226 PolarHBondContact O-N 2.85Å; D223-L226 PolarHBondContact OD1-N 2.86Å; D223-Q227 PolarHBondContact N-O 3.05Å; D223-Q227 WeakPolarHBondContact OD1-CB 3.14Å; D223-Q227 PolarHBondContact OD1-N 2.83Å; D223-K229 VanDerWaalsContact CB-CE 3.44Å; D223-K229 VanDerWaalsContact CG-CE 3.44Å; D223-K229 WeakPolarHBondContact OD2-CE 3.37Å; D223-K229 IonicContact OD2-NZ 3.24Å; D223-K229 PolarHBondContact OD2-NZ 3.31Å | ||
| 224 | P | 87.4 | Confident | 90.2 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 11.7 | 176.4 | -18.9 | 32.2 | 0 | 0 | 0 | 115.1 | L164 V178 W192 K197 | L164-P224 WeakPolarHBondContact CD2-O 3.44Å; V178-P224 WeakPolarHBondContact CG1-O 3.44Å; W192-P224 HydrophobicContact CH2-CB 4.41Å; W192-P224 HydrophobicContact CZ3-CB 4.35Å; W192-P224 HydrophobicContact CZ3-CG 4.15Å; K197-P224 WeakPolarHBondContact O-CD 3.44Å |
| 225 | Q | 86.1 | Confident | 90.1 | Very high | 115 Ų | 115 | 41.7 Ų | 41.7 | 54% | 0.537 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 18.8 | 169.5 | -57.1 | -65.5 | -73.2 | 0 | 0 | 111 | V178 D223 Q227 | V178-Q225 VanDerWaalsContact CG1-NE2 3.28Å; D223-Q225 PolarHBondContact O-N 2.76Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.44Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.19Å; D223-Q225 PolarHBondContact OD1-N 3.36Å; Q225-Q227 HydrophobicContact CB-CG 4.16Å; Q225-Q227 PolarHBondContact O-N 2.76Å; Q225-Q227 VanDerWaalsContact O-N 3.13Å; Q225-Q227 PolarHBondContact O-NE2 2.78Å |
| 226 | L | 89.1 | Confident | 89.9 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | trans | 54.8 | 20.2 | -173.5 | -56.7 | -175.2 | 0 | 0 | 0 | 114.9 | L164 G179 L181 L199 I201 V222 D223 | L164-L226 HydrophobicContact CB-CD1 4.35Å; L164-L226 HydrophobicContact CB-CD2 4.32Å; L164-L226 HydrophobicContact CB-CG 4.4Å; L164-L226 HydrophobicContact CD2-CD2 3.9Å; L164-L226 HydrophobicContact CD2-CG 4.01Å; G179-L226 VanDerWaalsContact C-CD1 3.44Å; L181-L226 HydrophobicContact CD2-CD1 4.44Å; L181-L226 HydrophobicContact CG-CD1 4.43Å; L199-L226 HydrophobicContact CD2-CD2 4.36Å; I201-L226 HydrophobicContact CD1-CD2 4.49Å; V222-L226 HydrophobicContact CG2-CD2 3.86Å; D223-L226 PolarHBondContact O-N 2.85Å; D223-L226 PolarHBondContact OD1-N 2.86Å | ||
| 227 | Q | 88.7 | Confident | 89.8 | Confident | 115 Ų | 115 | 40 Ų | 40 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | trans | -81.5 | 123.4 | 177.3 | -53.1 | -57.5 | -59.5 | 0 | 0 | 110.4 | V222 D223 Q225 K229 | V222-Q227 CarbonylContact C-O 3.57Å; V222-Q227 VanDerWaalsContact CA-O 3.28Å; V222-Q227 WeakPolarHBondContact CA-O 3.18Å; D223-Q227 PolarHBondContact N-O 3.05Å; D223-Q227 WeakPolarHBondContact OD1-CB 3.14Å; D223-Q227 PolarHBondContact OD1-N 2.83Å; Q225-Q227 HydrophobicContact CB-CG 4.16Å; Q225-Q227 PolarHBondContact O-N 2.76Å; Q225-Q227 VanDerWaalsContact O-N 3.13Å; Q225-Q227 PolarHBondContact O-NE2 2.78Å; Q227-K229 PolarHBondContact O-N 3Å | ||
| 228 | Q | 90 | Very high | 89.6 | Confident | 59 Ų | 59 | 39 Ų | 39 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.2 | 130.5 | 177.4 | 176.2 | 179.8 | -7.4 | 0 | 0 | 112.3 | N211 L220 | N211-Q228 PolarHBondContact ND2-OE1 3.17Å; L220-Q228 HydrophobicContact CD1-CB 4.14Å; L220-Q228 HydrophobicContact CD1-CG 3.8Å |
| 229 | K | 90.4 | Very high | 89 | Confident | 104 Ų | 104 | 45.5 Ų | 45.5 | 45% | 0.452 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -38.4 | 172 | -58.6 | -54.7 | 173.5 | -152.9 | 0 | 112.9 | Q221 D223 Q227 | Q221-K229 PolarHBondContact O-N 2.85Å; D223-K229 VanDerWaalsContact CB-CE 3.44Å; D223-K229 VanDerWaalsContact CG-CE 3.44Å; D223-K229 WeakPolarHBondContact OD2-CE 3.37Å; D223-K229 IonicContact OD2-NZ 3.24Å; D223-K229 PolarHBondContact OD2-NZ 3.31Å; Q227-K229 PolarHBondContact O-N 3Å |
| 230 | R | 90 | Very high | 88.1 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 19% | 0.185 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 155.6 | -177.8 | -157 | -170.9 | 174 | -170.5 | 1.6 | 111.1 | Q221 T284 T285 | Q221-R230 HydrophobicContact CB-CB 3.92Å; Q221-R230 HydrophobicContact CG-CB 4.01Å; Q221-R230 PolarHBondContact N-O 2.85Å; Q221-R230 PolarHBondContact O-N 3.15Å; R230-T284 PolarHBondContact NH1-OG1 2.99Å; R230-T285 PolarHBondContact NH2-O 2.77Å |
| 231 | I | 90.2 | Very high | 87.4 | Confident | 59 Ų | 59 | 51.6 Ų | 51.6 | 30% | 0.303 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 138.9 | 166.9 | -51.1 | 174.1 | 0 | 0 | 0 | 107.7 | M214 L218 | M214-I231 HydrophobicContact CE-CB 4.43Å; M214-I231 HydrophobicContact CE-CD1 3.66Å; M214-I231 HydrophobicContact CE-CG1 3.64Å; M214-I231 HydrophobicContact CE-CG2 4.02Å; M214-I231 HydrophobicContact CG-CD1 4.05Å; M214-I231 HydrophobicContact SD-CD1 3.64Å; M214-I231 HydrophobicContact SD-CG1 4.03Å; L218-I231 HydrophobicContact CB-CG2 4.28Å; L218-I231 HydrophobicContact CD1-CG2 4.37Å; L218-I231 HydrophobicContact CD2-CG2 3.93Å; L218-I231 HydrophobicContact CG-CG2 4.44Å |
| 232 | V | 91.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 103.8 | 165.5 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | L218 I219 L234 T284 P291 | L218-V232 WeakPolarHBondContact CA-O 3.43Å; L218-V232 WeakPolarHBondContact CB-O 3.47Å; I219-V232 HydrophobicContact CB-CB 4.17Å; I219-V232 PolarHBondContact N-O 3.01Å; I219-V232 PolarHBondContact O-N 3.1Å; V232-L234 PolarHBondContact O-N 2.98Å; V232-T284 HydrophobicContact CB-CG2 4.48Å; V232-T284 HydrophobicContact CG1-CG2 3.6Å; V232-T284 HydrophobicContact CG2-CG2 4.02Å; V232-P291 HydrophobicContact CG1-CB 3.76Å; V232-P291 HydrophobicContact CG1-CG 3.84Å |
| 233 | P | 89.8 | Confident | 85.6 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.3 | -174.9 | 29.4 | -33.7 | 0 | 0 | 0 | 111 | P291 | P233-P291 WeakPolarHBondContact O-CG 3.28Å |
| 234 | L | 90.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -98.1 | -21.3 | 177.9 | -58.7 | 177.8 | 0 | 0 | 0 | 112.9 | P217 I219 V232 Q236 L237 F238 L262 I282 | P217-L234 HydrophobicContact CB-CB 4.28Å; P217-L234 CarbonylContact O-C 3.56Å; P217-L234 WeakPolarHBondContact O-CA 3.22Å; P217-L234 WeakPolarHBondContact O-CB 3.12Å; P217-L234 PolarHBondContact O-N 3.35Å; I219-L234 HydrophobicContact CD1-CD1 4.46Å; I219-L234 HydrophobicContact CD1-CD2 4.42Å; I219-L234 HydrophobicContact CG1-CD1 3.83Å; I219-L234 HydrophobicContact CG1-CD2 4.29Å; I219-L234 HydrophobicContact CG1-CG 4.16Å; V232-L234 PolarHBondContact O-N 2.98Å; L234-Q236 PolarHBondContact O-N 2.69Å; L234-L237 HydrophobicContact CD2-CD1 4.38Å; L234-L237 WeakPolarHBondContact O-CB 3.23Å; L234-L237 PolarHBondContact O-N 2.8Å; L234-F238 HydrophobicContact CB-CE1 4.43Å; L234-F238 HydrophobicContact CB-CE2 4.13Å; L234-F238 HydrophobicContact CB-CZ 4.06Å; L234-F238 HydrophobicContact CD1-CE2 4.45Å; L234-F238 HydrophobicContact CD1-CZ 4.07Å; L234-F238 PolarHBondContact O-N 2.98Å; L234-F238 VanDerWaalsContact O-N 3.09Å; L234-L262 HydrophobicContact CD1-CD2 3.7Å; L234-I282 HydrophobicContact CD2-CD1 3.77Å | ||
| 235 | G | 84 | Confident | 84.8 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -46.8 | -54 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P217 L237 F238 E239 | P217-G235 PolarHBondContact O-N 3.38Å; P217-G235 VanDerWaalsContact O-N 3.07Å; G235-L237 VanDerWaalsContact C-N 3.3Å; G235-L237 PolarHBondContact O-N 2.79Å; G235-F238 PolarHBondContact O-N 2.96Å; G235-F238 VanDerWaalsContact O-N 3.11Å; G235-E239 WeakPolarHBondContact O-CB 3.37Å; G235-E239 WeakPolarHBondContact O-CG 3.32Å; G235-E239 PolarHBondContact O-N 3.31Å |
| 236 | Q | 81.6 | Confident | 84.4 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.4 | -36 | 178.1 | -72.4 | 177.8 | -33.6 | 0 | 0 | 113.7 | L234 S240 | L234-Q236 PolarHBondContact O-N 2.69Å; Q236-S240 WeakPolarHBondContact O-CB 3.44Å; Q236-S240 PolarHBondContact O-N 3.34Å; Q236-S240 PolarHBondContact O-OG 3.35Å |
| 237 | L | 84.4 | Confident | 84.3 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.7 | -37.8 | 177.1 | -79.7 | 176.5 | 0 | 0 | 0 | 112.3 | L234 G235 N241 P291 A293 | L234-L237 HydrophobicContact CD2-CD1 4.38Å; L234-L237 WeakPolarHBondContact O-CB 3.23Å; L234-L237 PolarHBondContact O-N 2.8Å; G235-L237 VanDerWaalsContact C-N 3.3Å; G235-L237 PolarHBondContact O-N 2.79Å; L237-N241 WeakPolarHBondContact O-CB 3.28Å; L237-N241 PolarHBondContact O-N 2.86Å; L237-P291 HydrophobicContact CD1-CB 3.86Å; L237-P291 HydrophobicContact CD1-CG 3.59Å; L237-P291 WeakPolarHBondContact CD2-O 3.35Å; L237-P291 HydrophobicContact CG-CG 4.14Å; L237-A293 HydrophobicContact CD1-CB 3.68Å; L237-A293 HydrophobicContact CD2-CB 4.14Å |
| 238 | F | 85.6 | Confident | 84.3 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -79.8 | -33.8 | 179.9 | -61.7 | -8.8 | 0 | 0 | 0 | 111.5 | P217 L234 G235 W244 K245 S247 P249 L262 I264 L280 | P217-F238 HydrophobicContact CB-CD2 4.15Å; P217-F238 HydrophobicContact CB-CE2 3.99Å; P217-F238 HydrophobicContact CG-CD2 3.71Å; P217-F238 HydrophobicContact CG-CE2 4.09Å; L234-F238 HydrophobicContact CB-CE1 4.43Å; L234-F238 HydrophobicContact CB-CE2 4.13Å; L234-F238 HydrophobicContact CB-CZ 4.06Å; L234-F238 HydrophobicContact CD1-CE2 4.45Å; L234-F238 HydrophobicContact CD1-CZ 4.07Å; L234-F238 PolarHBondContact O-N 2.98Å; L234-F238 VanDerWaalsContact O-N 3.09Å; G235-F238 PolarHBondContact O-N 2.96Å; G235-F238 VanDerWaalsContact O-N 3.11Å; F238-W244 HydrophobicContact CD1-CB 4.18Å; F238-W244 CarbonylContact O-C 3.3Å; F238-K245 WeakPolarHBondContact O-CA 3.31Å; F238-K245 PolarHBondContact O-N 3.21Å; F238-S247 WeakPolarHBondContact CD2-O 3.38Å; F238-S247 WeakPolarHBondContact CE2-O 3.48Å; F238-P249 HydrophobicContact CE2-CG 4.44Å; F238-L262 HydrophobicContact CZ-CD2 3.96Å; F238-I264 HydrophobicContact CE1-CG2 4.28Å; F238-I264 HydrophobicContact CZ-CG2 3.82Å; F238-L280 HydrophobicContact CE1-CD1 3.95Å |
| 239 | E | 81.1 | Confident | 84.3 | Confident | 144 Ų | 144 | 61 Ų | 61 | 67% | 0.673 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -74.4 | -40.5 | 177.8 | -72.6 | 170.7 | -168.4 | 0 | 0 | 113 | G235 | G235-E239 WeakPolarHBondContact O-CB 3.37Å; G235-E239 WeakPolarHBondContact O-CG 3.32Å; G235-E239 PolarHBondContact O-N 3.31Å |
| 240 | S | 76.2 | Confident | 84.4 | Confident | 90 Ų | 90 | 56.3 Ų | 56.3 | 63% | 0.629 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -76.8 | -28.2 | -178.2 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | Q236 | Q236-S240 WeakPolarHBondContact O-CB 3.44Å; Q236-S240 PolarHBondContact O-N 3.34Å; Q236-S240 PolarHBondContact O-OG 3.35Å |
| 241 | N | 79.5 | Confident | 84.6 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | trans | -97.9 | 109.9 | 179.2 | -166.5 | -21.1 | 0 | 0 | 0 | 111 | L237 N243 W244 K245 | L237-N241 WeakPolarHBondContact O-CB 3.28Å; L237-N241 PolarHBondContact O-N 2.86Å; N241-N243 PolarHBondContact O-N 3.48Å; N241-N243 WeakPolarHBondContact OD1-CB 3.27Å; N241-N243 PolarHBondContact OD1-N 3.06Å; N241-W244 HydrophobicContact CB-CB 4.48Å; N241-W244 HydrophobicContact CB-CD2 3.99Å; N241-W244 HydrophobicContact CB-CE3 3.59Å; N241-W244 HydrophobicContact CB-CG 4.42Å; N241-W244 HydrophobicContact CB-CZ3 4.1Å; N241-W244 VanDerWaalsContact ND2-CD2 3.34Å; N241-W244 WeakPolarHBondContact ND2-CH2 3.43Å; N241-W244 VanDerWaalsContact ND2-CZ2 3.32Å; N241-W244 WeakPolarHBondContact ND2-CZ2 3.38Å; N241-W244 WeakPolarHBondContact ND2-CZ3 3.26Å; N241-W244 PolarHBondContact O-N 3.2Å; N241-K245 PolarHBondContact O-N 3.37Å; N241-K245 VanDerWaalsContact O-N 3.13Å | ||
| 242 | H | 73.7 | Confident | 84.8 | Confident | 160 Ų | 160 | 52.2 Ų | 52.2 | 74% | 0.741 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -50.7 | -33.3 | 176.7 | -63.1 | -59.4 | 0 | 0 | 0 | 113.4 | W244 | H242-W244 VanDerWaalsContact C-N 3.28Å; H242-W244 PolarHBondContact O-N 2.84Å |
| 243 | N | 74.9 | Confident | 85 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 59% | 0.594 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -74 | -15.6 | -179.2 | -59.5 | -16.1 | 0 | 0 | 0 | 113.7 | N241 Q266 | N241-N243 PolarHBondContact O-N 3.48Å; N241-N243 WeakPolarHBondContact OD1-CB 3.27Å; N241-N243 PolarHBondContact OD1-N 3.06Å; N243-Q266 PolarHBondContact O-NE2 3.02Å; N243-Q266 PolarHBondContact O-OE1 3.14Å |
| 244 | W | 83.1 | Confident | 85.2 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 8% | 0.076 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -120.3 | 4 | -178.6 | -50.4 | -32.9 | 0 | 0 | 0 | 112.8 | F238 N241 H242 N246 S247 I264 L280 A293 A295 | F238-W244 HydrophobicContact CD1-CB 4.18Å; F238-W244 CarbonylContact O-C 3.3Å; N241-W244 HydrophobicContact CB-CB 4.48Å; N241-W244 HydrophobicContact CB-CD2 3.99Å; N241-W244 HydrophobicContact CB-CE3 3.59Å; N241-W244 HydrophobicContact CB-CG 4.42Å; N241-W244 HydrophobicContact CB-CZ3 4.1Å; N241-W244 VanDerWaalsContact ND2-CD2 3.34Å; N241-W244 WeakPolarHBondContact ND2-CH2 3.43Å; N241-W244 VanDerWaalsContact ND2-CZ2 3.32Å; N241-W244 WeakPolarHBondContact ND2-CZ2 3.38Å; N241-W244 WeakPolarHBondContact ND2-CZ3 3.26Å; N241-W244 PolarHBondContact O-N 3.2Å; H242-W244 VanDerWaalsContact C-N 3.28Å; H242-W244 PolarHBondContact O-N 2.84Å; W244-N246 PolarHBondContact O-N 2.97Å; W244-S247 WeakPolarHBondContact CA-OG 3.32Å; W244-S247 WeakPolarHBondContact O-CB 3.47Å; W244-S247 PolarHBondContact O-N 2.93Å; W244-S247 PolarHBondContact O-OG 3.12Å; W244-I264 HydrophobicContact CB-CD1 4.16Å; W244-I264 HydrophobicContact CG-CD1 3.98Å; W244-L280 HydrophobicContact CD2-CD1 4.07Å; W244-L280 HydrophobicContact CD2-CD2 4.06Å; W244-L280 VanDerWaalsContact CE2-CD2 3.45Å; W244-L280 HydrophobicContact CE3-CD1 4.11Å; W244-L280 HydrophobicContact CH2-CD2 4.13Å; W244-L280 HydrophobicContact CZ2-CD2 3.52Å; W244-L280 HydrophobicContact CZ3-CD1 4.41Å; W244-A293 HydrophobicContact CH2-CB 4.15Å; W244-A293 HydrophobicContact CZ3-CB 3.94Å; W244-A295 HydrophobicContact CZ2-CB 3.96Å |
| 245 | K | 80.3 | Confident | 85.3 | Confident | 113 Ų | 113 | 52.2 Ų | 52.2 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 133.9 | 179 | -171.4 | 168.9 | -178.7 | 176.8 | 0 | 111.8 | F238 N241 S247 Q266 | F238-K245 WeakPolarHBondContact O-CA 3.31Å; F238-K245 PolarHBondContact O-N 3.21Å; N241-K245 PolarHBondContact O-N 3.37Å; N241-K245 VanDerWaalsContact O-N 3.13Å; K245-S247 PolarHBondContact O-N 3.26Å; K245-Q266 PolarHBondContact O-NE2 2.82Å |
| 246 | N | 78.6 | Confident | 85.5 | Confident | 126 Ų | 126 | 53.5 Ų | 53.5 | 67% | 0.674 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 20.9 | -174.4 | -54.3 | -4 | 0 | 0 | 0 | 114.6 | W244 | W244-N246 PolarHBondContact O-N 2.97Š|
| 247 | S | 86.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 139.3 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | F238 W244 K245 K265 | F238-S247 WeakPolarHBondContact CD2-O 3.38Å; F238-S247 WeakPolarHBondContact CE2-O 3.48Å; W244-S247 WeakPolarHBondContact CA-OG 3.32Å; W244-S247 WeakPolarHBondContact O-CB 3.47Å; W244-S247 PolarHBondContact O-N 2.93Å; W244-S247 PolarHBondContact O-OG 3.12Å; K245-S247 PolarHBondContact O-N 3.26Å; S247-K265 CarbonylContact C-O 3.5Å; S247-K265 WeakPolarHBondContact CA-O 3.34Å |
| 248 | L | 88 | Confident | 85.9 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.7 | 175.1 | -66.9 | 172.9 | 0 | 0 | 0 | 110.7 | N204 I264 K265 | N204-L248 WeakPolarHBondContact OD1-CD2 3.38Å; L248-I264 VanDerWaalsContact O-CA 3.3Å; L248-I264 WeakPolarHBondContact O-CA 3.37Å; L248-K265 HydrophobicContact CB-CG 4.44Å; L248-K265 PolarHBondContact N-O 3.44Å; L248-K265 PolarHBondContact O-N 3.17Å |
| 249 | P | 91.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 140.2 | 164.4 | -27.3 | 37.2 | 0 | 0 | 0 | 112.3 | R188 C202 F238 L262 | R188-P249 HydrophobicContact CB-CB 4.1Å; C202-P249 HydrophobicContact CB-CB 3.97Å; C202-P249 HydrophobicContact CB-CG 4.44Å; F238-P249 HydrophobicContact CE2-CG 4.44Å; P249-L262 HydrophobicContact CB-CD1 4.26Å |
| 250 | V | 90.8 | Very high | 86.8 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -56.1 | -177.7 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | R22 C189 A263 K265 V308 | R22-V250 PolarHBondContact NH1-O 2.84Å; R22-V250 PolarHBondContact NH2-O 2.64Å; R22-V250 VanDerWaalsContact NH2-O 3.14Å; C189-V250 WeakPolarHBondContact CB-O 3.49Å; V250-A263 HydrophobicContact CB-CB 4.2Å; V250-A263 PolarHBondContact N-O 3.36Å; V250-K265 HydrophobicContact CG2-CB 3.74Å; V250-K265 HydrophobicContact CG2-CD 3.78Å; V250-K265 HydrophobicContact CG2-CG 3.54Å; V250-V308 HydrophobicContact CG1-CB 4.16Å; V250-V308 HydrophobicContact CG1-CG1 3.87Å; V250-V308 WeakPolarHBondContact CG1-O 2.98Å |
| 251 | D | 94.1 | Very high | 87.7 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153.8 | 177.3 | -66.7 | -60.8 | 0 | 0 | 0 | 111.1 | R22 C189 A263 Q309 Y310 F312 | R22-D251 IonicContact CZ-OD1 3.95Å; R22-D251 VanDerWaalsContact CZ-OD1 3.29Å; R22-D251 IonicContact CZ-OD2 3.27Å; R22-D251 IonicContact NH1-OD1 2.67Å; R22-D251 PolarHBondContact NH1-OD1 3.01Å; R22-D251 IonicContact NH2-OD1 3.4Å; R22-D251 PolarHBondContact NH2-OD1 2.72Å; R22-D251 IonicContact NH2-OD2 3.79Å; R22-D251 PolarHBondContact NH2-OD2 2.85Å; C189-D251 VanDerWaalsContact SG-C 3.57Å; C189-D251 VanDerWaalsContact SG-CA 3.59Å; D251-A263 HydrophobicContact CB-CB 4.17Å; D251-A263 PolarHBondContact O-N 2.75Å; D251-Q309 WeakPolarHBondContact OD2-CA 3.43Å; D251-Y310 PolarHBondContact OD2-N 2.83Å; D251-F312 HydrophobicContact CB-CD2 4.07Å; D251-F312 HydrophobicContact CB-CE2 3.75Å |
| 252 | L | 95.6 | Very high | 88.4 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.5 | -175.2 | -178.1 | 74.4 | 0 | 0 | 0 | 111.5 | S191 A200 I219 Y260 L261 L262 | S191-L252 WeakPolarHBondContact CB-O 3.36Å; S191-L252 PolarHBondContact OG-O 2.88Å; S191-L252 VanDerWaalsContact OG-O 3.14Å; A200-L252 HydrophobicContact CB-CD2 3.71Å; I219-L252 HydrophobicContact CD1-CD1 3.96Å; I219-L252 HydrophobicContact CG2-CD2 4.17Å; L252-Y260 HydrophobicContact CD1-CD1 3.83Å; L252-Y260 HydrophobicContact CD1-CG 4.26Å; L252-Y260 HydrophobicContact CG-CD1 4.39Å; L252-L261 WeakPolarHBondContact CA-O 3.06Å; L252-L262 HydrophobicContact CB-CD1 4.44Å; L252-L262 HydrophobicContact CD1-CB 4.47Å; L252-L262 HydrophobicContact CD1-CD1 3.82Å |
| 253 | L | 95.6 | Very high | 89.3 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 9% | 0.094 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.8 | 162.9 | -170.7 | 71.2 | 0 | 0 | 0 | 110.6 | S191 T255 Y260 L261 F312 F314 V320 | S191-L253 WeakPolarHBondContact OG-CA 3.45Å; L253-T255 HydrophobicContact CD2-CG2 3.9Å; L253-T255 HydrophobicContact CG-CG2 4.12Å; L253-T255 PolarHBondContact O-N 2.81Å; L253-Y260 CarbonylContact O-C 3.6Å; L253-Y260 VanDerWaalsContact O-CA 3.32Å; L253-Y260 WeakPolarHBondContact O-CA 3.37Å; L253-L261 HydrophobicContact CB-CB 4.29Å; L253-L261 HydrophobicContact CD2-CD1 4.41Å; L253-L261 PolarHBondContact N-O 3.41Å; L253-L261 PolarHBondContact O-N 2.79Å; L253-F312 HydrophobicContact CB-CB 4.13Å; L253-F312 HydrophobicContact CB-CD2 4.26Å; L253-F312 HydrophobicContact CB-CG 4.14Å; L253-F312 HydrophobicContact CD1-CB 4.38Å; L253-F312 HydrophobicContact CD2-CB 4.26Å; L253-F312 HydrophobicContact CG-CB 4.49Å; L253-F314 HydrophobicContact CD1-CD2 4.3Å; L253-F314 HydrophobicContact CD1-CE2 3.75Å; L253-F314 HydrophobicContact CD1-CZ 4.32Å; L253-F314 HydrophobicContact CD2-CD2 4.48Å; L253-F314 HydrophobicContact CD2-CE1 4.3Å; L253-F314 HydrophobicContact CD2-CE2 4.07Å; L253-F314 HydrophobicContact CD2-CZ 3.97Å; L253-F314 HydrophobicContact CG-CE2 4.11Å; L253-F314 HydrophobicContact CG-CZ 4.17Å; L253-V320 HydrophobicContact CD2-CB 4.4Å; L253-V320 HydrophobicContact CD2-CG1 3.66Å; L253-V320 HydrophobicContact CD2-CG2 3.74Å |
| 254 | W | 94.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 100.9 | 172 | -164.3 | -11 | 0 | 0 | 0 | 109.8 | S191 S193 P194 Q198 A200 Q221 S256 Y260 | S191-W254 PolarHBondContact OG-N 3.24Å; S193-W254 VanDerWaalsContact CA-CE3 3.48Å; S193-W254 VanDerWaalsContact N-CE3 3.33Å; P194-W254 WeakPolarHBondContact CD-O 3.48Å; P194-W254 VanDerWaalsContact CG-O 3.26Å; P194-W254 WeakPolarHBondContact CG-O 2.9Å; Q198-W254 HydrophobicContact CB-CH2 3.56Å; Q198-W254 HydrophobicContact CB-CZ3 3.64Å; Q198-W254 HydrophobicContact CG-CH2 4.48Å; A200-W254 HydrophobicContact CB-CD2 4.05Å; A200-W254 HydrophobicContact CB-CE3 3.37Å; A200-W254 HydrophobicContact CB-CZ3 3.68Å; Q221-W254 HydrophobicContact CB-CH2 4.16Å; Q221-W254 HydrophobicContact CG-CH2 3.71Å; Q221-W254 HydrophobicContact CG-CZ2 4.15Å; Q221-W254 HydrophobicContact CG-CZ3 4.41Å; W254-S256 PolarHBondContact NE1-O 3.5Å; W254-Y260 HydrophobicContact CB-CD1 4.06Å; W254-Y260 HydrophobicContact CB-CE1 3.9Å; W254-Y260 AromaticContact CD1-CD1 3.89Å; W254-Y260 AromaticContact CD1-CE1 3.36Å; W254-Y260 AromaticContact CD1-CZ 3.79Å; W254-Y260 AromaticContact CD2-CE1 3.64Å; W254-Y260 HydrophobicContact CD2-CE1 3.64Å; W254-Y260 AromaticContact CE2-CE1 3.79Å; W254-Y260 AromaticContact CE2-CZ 3.78Å; W254-Y260 HydrophobicContact CE3-CE1 4.39Å; W254-Y260 AromaticContact CG-CD1 3.97Å; W254-Y260 HydrophobicContact CG-CD1 3.97Å; W254-Y260 AromaticContact CG-CE1 3.39Å; W254-Y260 HydrophobicContact CG-CE1 3.39Å; W254-Y260 VanDerWaalsContact CZ2-OH 3.27Å; W254-Y260 WeakPolarHBondContact CZ2-OH 3.45Å; W254-Y260 AromaticContact NE1-CE1 3.6Å; W254-Y260 AromaticContact NE1-CZ 3.56Å; W254-Y260 PolarHBondContact NE1-OH 2.66Å |
| 255 | T | 91.2 | Very high | 90.4 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 10% | 0.104 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -35.7 | -171.6 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | L253 N259 L261 L336 | L253-T255 HydrophobicContact CD2-CG2 3.9Å; L253-T255 HydrophobicContact CG-CG2 4.12Å; L253-T255 PolarHBondContact O-N 2.81Å; T255-N259 PolarHBondContact N-O 2.86Å; T255-N259 VanDerWaalsContact OG1-C 3.27Å; T255-N259 WeakPolarHBondContact OG1-CB 3.02Å; T255-N259 PolarHBondContact OG1-O 3.46Å; T255-N259 VanDerWaalsContact OG1-O 3.1Å; T255-L261 HydrophobicContact CG2-CD1 4.23Å; T255-L261 HydrophobicContact CG2-CG 4.1Å; T255-L336 HydrophobicContact CG2-CD1 3.73Å; T255-L336 HydrophobicContact CG2-CD2 4.34Å |
| 256 | S | 88.1 | Confident | 90.6 | Very high | 41 Ų | 41 | 27.8 Ų | 27.8 | 29% | 0.287 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 168.2 | 173.9 | 98 | 0 | 0 | 0 | 0 | 110.2 | W254 Y258 N259 | W254-S256 PolarHBondContact NE1-O 3.5Å; S256-Y258 PolarHBondContact O-N 2.94Å; S256-Y258 PolarHBondContact OG-N 2.87Å; S256-N259 PolarHBondContact N-O 2.96Å; S256-N259 PolarHBondContact O-N 2.88Å; S256-N259 VanDerWaalsContact O-O 3.11Å; S256-N259 WeakPolarHBondContact OG-CB 3.42Å; S256-N259 PolarHBondContact OG-N 2.82Å; S256-N259 PolarHBondContact OG-ND2 3.41Å |
| 257 | S | 87.7 | Confident | 90.3 | Very high | 83 Ų | 83 | 24.4 Ų | 24.4 | 58% | 0.58 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | -24.7 | 179.2 | -50.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 258 | Y | 88.6 | Confident | 89.2 | Confident | 101 Ų | 101 | 27.2 Ų | 27.2 | 40% | 0.396 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -4 | -179.9 | -61 | -78.3 | 0 | 0 | 0 | 114.5 | S256 T284 | S256-Y258 PolarHBondContact O-N 2.94Å; S256-Y258 PolarHBondContact OG-N 2.87Å; Y258-T284 WeakPolarHBondContact CA-OG1 3.48Å; Y258-T284 WeakPolarHBondContact CB-O 3.37Å; Y258-T284 WeakPolarHBondContact CB-OG1 3.4Å; Y258-T284 PolarHBondContact O-N 3.21Å; Y258-T284 PolarHBondContact O-OG1 2.94Å |
| 259 | N | 91.2 | Very high | 87.8 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.6 | -169.9 | -55.9 | -28 | 0 | 0 | 0 | 112.6 | T255 S256 Y281 I282 S283 | T255-N259 PolarHBondContact N-O 2.86Å; T255-N259 VanDerWaalsContact OG1-C 3.27Å; T255-N259 WeakPolarHBondContact OG1-CB 3.02Å; T255-N259 PolarHBondContact OG1-O 3.46Å; T255-N259 VanDerWaalsContact OG1-O 3.1Å; S256-N259 PolarHBondContact N-O 2.96Å; S256-N259 PolarHBondContact O-N 2.88Å; S256-N259 VanDerWaalsContact O-O 3.11Å; S256-N259 WeakPolarHBondContact OG-CB 3.42Å; S256-N259 PolarHBondContact OG-N 2.82Å; S256-N259 PolarHBondContact OG-ND2 3.41Å; N259-Y281 HydrophobicContact CB-CE2 4.13Å; N259-Y281 WeakPolarHBondContact CB-OH 3.43Å; N259-Y281 PolarHBondContact ND2-OH 2.96Å; N259-I282 CarbonylContact C-O 3.5Å; N259-I282 VanDerWaalsContact CA-O 3.29Å; N259-I282 WeakPolarHBondContact CA-O 3.26Å; N259-S283 PolarHBondContact OD1-OG 2.96Å |
| 260 | Y | 93.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 152.2 | -179.9 | -56.9 | -88.2 | 0 | 0 | 0 | 111.3 | A200 I219 Q221 L252 L253 W254 Y281 I282 | A200-Y260 HydrophobicContact CB-CE1 3.93Å; I219-Y260 HydrophobicContact CD1-CD1 4.3Å; I219-Y260 HydrophobicContact CD1-CD2 4.16Å; I219-Y260 HydrophobicContact CD1-CG 4.07Å; Q221-Y260 PolarHBondContact NE2-OH 3.29Å; L252-Y260 HydrophobicContact CD1-CD1 3.83Å; L252-Y260 HydrophobicContact CD1-CG 4.26Å; L252-Y260 HydrophobicContact CG-CD1 4.39Å; L253-Y260 CarbonylContact O-C 3.6Å; L253-Y260 VanDerWaalsContact O-CA 3.32Å; L253-Y260 WeakPolarHBondContact O-CA 3.37Å; W254-Y260 HydrophobicContact CB-CD1 4.06Å; W254-Y260 HydrophobicContact CB-CE1 3.9Å; W254-Y260 AromaticContact CD1-CD1 3.89Å; W254-Y260 AromaticContact CD1-CE1 3.36Å; W254-Y260 AromaticContact CD1-CZ 3.79Å; W254-Y260 AromaticContact CD2-CE1 3.64Å; W254-Y260 HydrophobicContact CD2-CE1 3.64Å; W254-Y260 AromaticContact CE2-CE1 3.79Å; W254-Y260 AromaticContact CE2-CZ 3.78Å; W254-Y260 HydrophobicContact CE3-CE1 4.39Å; W254-Y260 AromaticContact CG-CD1 3.97Å; W254-Y260 HydrophobicContact CG-CD1 3.97Å; W254-Y260 AromaticContact CG-CE1 3.39Å; W254-Y260 HydrophobicContact CG-CE1 3.39Å; W254-Y260 VanDerWaalsContact CZ2-OH 3.27Å; W254-Y260 WeakPolarHBondContact CZ2-OH 3.45Å; W254-Y260 AromaticContact NE1-CE1 3.6Å; W254-Y260 AromaticContact NE1-CZ 3.56Å; W254-Y260 PolarHBondContact NE1-OH 2.66Å; Y260-Y281 WeakPolarHBondContact O-CA 3.33Å; Y260-I282 PolarHBondContact N-O 2.92Å; Y260-I282 PolarHBondContact O-N 2.8Å |
| 261 | L | 94.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.3 | 151.7 | -67.3 | 169.2 | 0 | 0 | 0 | 107.5 | L252 L253 T255 I279 L280 Y281 I296 F312 V320 L334 L336 | L252-L261 WeakPolarHBondContact CA-O 3.06Å; L253-L261 HydrophobicContact CB-CB 4.29Å; L253-L261 HydrophobicContact CD2-CD1 4.41Å; L253-L261 PolarHBondContact N-O 3.41Å; L253-L261 PolarHBondContact O-N 2.79Å; T255-L261 HydrophobicContact CG2-CD1 4.23Å; T255-L261 HydrophobicContact CG2-CG 4.1Å; L261-I279 HydrophobicContact CD2-CG2 4.29Å; L261-L280 WeakPolarHBondContact CA-O 2.94Å; L261-Y281 HydrophobicContact CD2-CD2 3.89Å; L261-I296 HydrophobicContact CD2-CD1 3.57Å; L261-F312 HydrophobicContact CB-CE1 4.27Å; L261-F312 HydrophobicContact CB-CZ 4.35Å; L261-F312 HydrophobicContact CD1-CD1 4.44Å; L261-F312 HydrophobicContact CD1-CE1 4.35Å; L261-V320 HydrophobicContact CD1-CB 4.39Å; L261-V320 HydrophobicContact CD1-CG1 3.98Å; L261-L334 HydrophobicContact CD1-CD1 4.38Å; L261-L336 HydrophobicContact CD1-CD2 4.31Å |
| 262 | L | 95 | Very high | 82.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115.9 | 177.1 | -177.5 | 74.4 | 0 | 0 | 0 | 109 | L234 F238 P249 L252 I264 L280 I282 | L234-L262 HydrophobicContact CD1-CD2 3.7Å; F238-L262 HydrophobicContact CZ-CD2 3.96Å; P249-L262 HydrophobicContact CB-CD1 4.26Å; L252-L262 HydrophobicContact CB-CD1 4.44Å; L252-L262 HydrophobicContact CD1-CB 4.47Å; L252-L262 HydrophobicContact CD1-CD1 3.82Å; L262-I264 HydrophobicContact CD2-CG2 3.77Å; L262-I264 HydrophobicContact CG-CG2 3.99Å; L262-L280 PolarHBondContact N-O 2.88Å; L262-L280 PolarHBondContact O-N 3.43Å; L262-I282 HydrophobicContact CB-CD1 3.73Å; L262-I282 HydrophobicContact CB-CG1 4.37Å; L262-I282 HydrophobicContact CD2-CD1 3.66Å; L262-I282 HydrophobicContact CG-CD1 4.33Å |
| 263 | A | 93.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 135.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V250 D251 N278 Y310 F312 | V250-A263 HydrophobicContact CB-CB 4.2Å; V250-A263 PolarHBondContact N-O 3.36Å; D251-A263 HydrophobicContact CB-CB 4.17Å; D251-A263 PolarHBondContact O-N 2.75Å; A263-N278 WeakPolarHBondContact CA-O 3.29Å; A263-Y310 HydrophobicContact CB-CD2 3.34Å; A263-Y310 HydrophobicContact CB-CE2 3.82Å; A263-Y310 HydrophobicContact CB-CG 3.94Å; A263-F312 HydrophobicContact CB-CE2 4.16Å; A263-F312 HydrophobicContact CB-CZ 4.1Å |
| 264 | I | 91.8 | Very high | 79.4 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154 | 175.6 | 57.9 | 162.5 | 0 | 0 | 0 | 110.6 | F238 W244 L248 L262 T277 N278 L280 | F238-I264 HydrophobicContact CE1-CG2 4.28Å; F238-I264 HydrophobicContact CZ-CG2 3.82Å; W244-I264 HydrophobicContact CB-CD1 4.16Å; W244-I264 HydrophobicContact CG-CD1 3.98Å; L248-I264 VanDerWaalsContact O-CA 3.3Å; L248-I264 WeakPolarHBondContact O-CA 3.37Å; L262-I264 HydrophobicContact CD2-CG2 3.77Å; L262-I264 HydrophobicContact CG-CG2 3.99Å; I264-T277 WeakPolarHBondContact O-CA 3.21Å; I264-N278 HydrophobicContact CD1-CB 4.1Å; I264-N278 HydrophobicContact CG1-CB 3.83Å; I264-N278 WeakPolarHBondContact CG1-O 3.19Å; I264-N278 PolarHBondContact N-O 2.79Å; I264-N278 PolarHBondContact O-N 3.21Å; I264-L280 HydrophobicContact CD1-CD1 3.9Å; I264-L280 HydrophobicContact CD1-CD2 4.29Å; I264-L280 HydrophobicContact CD1-CG 4.07Å; I264-L280 HydrophobicContact CG1-CD1 4.46Å; I264-L280 HydrophobicContact CG1-CG 4.27Å; I264-L280 HydrophobicContact CG2-CD1 4.47Å |
| 265 | K | 88.9 | Confident | 78.6 | Confident | 37 Ų | 37 | 56 Ų | 56 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 140.1 | 167.4 | 69.7 | -172.8 | 178.9 | -174.5 | 0 | 111.2 | S247 L248 V250 C275 L276 H305 V308 | S247-K265 CarbonylContact C-O 3.5Å; S247-K265 WeakPolarHBondContact CA-O 3.34Å; L248-K265 HydrophobicContact CB-CG 4.44Å; L248-K265 PolarHBondContact N-O 3.44Å; L248-K265 PolarHBondContact O-N 3.17Å; V250-K265 HydrophobicContact CG2-CB 3.74Å; V250-K265 HydrophobicContact CG2-CD 3.78Å; V250-K265 HydrophobicContact CG2-CG 3.54Å; K265-C275 HydrophobicContact CB-CB 4.33Å; K265-L276 WeakPolarHBondContact CA-O 3.25Å; K265-H305 PolarHBondContact NZ-O 3.4Å; K265-V308 HydrophobicContact CD-CB 4.21Å; K265-V308 HydrophobicContact CD-CG2 3.88Å |
| 266 | Q | 83.8 | Confident | 78.3 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.9 | 178 | -171.2 | -178.3 | 41.3 | 0 | 0 | 108.8 | N243 K245 V268 C275 L276 | N243-Q266 PolarHBondContact O-NE2 3.02Å; N243-Q266 PolarHBondContact O-OE1 3.14Å; K245-Q266 PolarHBondContact O-NE2 2.82Å; Q266-V268 PolarHBondContact O-N 2.97Å; Q266-C275 CarbonylContact O-C 3.59Å; Q266-C275 WeakPolarHBondContact O-CA 3.47Å; Q266-C275 VanDerWaalsContact O-CB 3.28Å; Q266-C275 WeakPolarHBondContact O-CB 3.41Å; Q266-L276 PolarHBondContact N-O 2.91Å; Q266-L276 PolarHBondContact O-N 2.81Å |
| 267 | S | 72.3 | Confident | 78.3 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 122.6 | 171.4 | 50.1 | 0 | 0 | 0 | 0 | 110 | H305 | S267-H305 WeakPolarHBondContact CA-NE2 3.2Å; S267-H305 WeakPolarHBondContact CB-NE2 3.37Å |
| 268 | V | 64.4 | Low | 78.3 | Confident | 63 Ų | 63 | 52.5 Ų | 52.5 | 38% | 0.382 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -81.5 | -36.5 | -178.5 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | Q266 D274 L276 | Q266-V268 PolarHBondContact O-N 2.97Å; V268-D274 PolarHBondContact N-O 2.94Å; V268-L276 HydrophobicContact CG2-CB 3.79Å |
| 269 | N | 58.3 | Low | 78.5 | Confident | 96 Ų | 96 | 47.7 Ų | 47.7 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | trans | -146.3 | 148.1 | 173.2 | -74.2 | -66.9 | 0 | 0 | 0 | 109.9 | M271 N272 | N269-M271 PolarHBondContact O-N 3.29Å; N269-N272 HydrophobicContact CB-CB 4.46Å | ||
| 270 | E | 54.8 | Low | 78.5 | Confident | 204 Ų | 204 | 46.3 Ų | 46.3 | 95% | 0.953 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -15.5 | 174.1 | -64.1 | -175.3 | 153.1 | 0 | 0 | 113.4 | ||
| 271 | M | 52.2 | Low | 78.5 | Confident | 185 Ų | 185 | 47 Ų | 47 | 91% | 0.911 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -13.8 | -177.8 | -71.9 | -174.5 | 169.8 | 0 | 0 | 114.9 | N269 | N269-M271 PolarHBondContact O-N 3.29Š|
| 272 | N | 53.5 | Low | 78.4 | Confident | 86 Ų | 86 | 47 Ų | 47 | 46% | 0.46 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -116 | 145.3 | 177.8 | -80.5 | 33.5 | 0 | 0 | 0 | 109.8 | N269 D274 | N269-N272 HydrophobicContact CB-CB 4.46Å; N272-D274 HydrophobicContact CB-CB 4.34Å; N272-D274 WeakPolarHBondContact CB-OD2 3.26Å; N272-D274 PolarHBondContact ND2-OD2 3.02Å; N272-D274 PolarHBondContact O-N 2.83Å |
| 273 | S | 60.8 | Low | 78.1 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69.9 | 5 | 173.2 | -54.8 | 0 | 0 | 0 | 0 | 114.2 | H305 | S273-H305 PolarHBondContact O-CD2 2.83Å; S273-H305 VanDerWaalsContact O-CD2 3.26Å; S273-H305 PolarHBondContact O-N 3.44Å |
| 274 | D | 70.3 | Confident | 77.8 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.8 | -172.4 | -53.8 | -47.6 | 0 | 0 | 0 | 112 | V268 N272 | V268-D274 PolarHBondContact N-O 2.94Å; N272-D274 HydrophobicContact CB-CB 4.34Å; N272-D274 WeakPolarHBondContact CB-OD2 3.26Å; N272-D274 PolarHBondContact ND2-OD2 3.02Å; N272-D274 PolarHBondContact O-N 2.83Å |
| 275 | C | 76.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.1 | 172.8 | 71.9 | 0 | 0 | 0 | 0 | 111.8 | K265 Q266 H302 M303 H305 V308 | K265-C275 HydrophobicContact CB-CB 4.33Å; Q266-C275 CarbonylContact O-C 3.59Å; Q266-C275 WeakPolarHBondContact O-CA 3.47Å; Q266-C275 VanDerWaalsContact O-CB 3.28Å; Q266-C275 WeakPolarHBondContact O-CB 3.41Å; C275-H302 WeakPolarHBondContact O-CA 3.42Å; C275-M303 PolarHBondContact N-O 2.87Å; C275-M303 PolarHBondContact O-N 2.86Å; C275-M303 PolarHBondContact SG-O 3.35Å; C275-H305 VanDerWaalsContact CB-CE1 3.47Å; C275-H305 WeakPolarHBondContact CB-CE1 3.4Å; C275-V308 WeakPolarHBondContact SG-CG2 3.28Å |
| 276 | L | 84.2 | Confident | 76.4 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 23% | 0.225 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124.5 | 170.2 | 176.9 | 65.7 | 0 | 0 | 0 | 108.4 | K265 Q266 V268 S301 | K265-L276 WeakPolarHBondContact CA-O 3.25Å; Q266-L276 PolarHBondContact N-O 2.91Å; Q266-L276 PolarHBondContact O-N 2.81Å; V268-L276 HydrophobicContact CG2-CB 3.79Å; L276-S301 WeakPolarHBondContact CA-O 3.25Å |
| 277 | T | 88.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 147.3 | 176.1 | 70 | 0 | 0 | 0 | 0 | 111.1 | I264 S300 S301 M303 V308 Y310 | I264-T277 WeakPolarHBondContact O-CA 3.21Å; T277-S300 WeakPolarHBondContact O-CA 3.47Å; T277-S300 WeakPolarHBondContact O-CB 3.42Å; T277-S301 PolarHBondContact N-O 3.03Å; T277-S301 PolarHBondContact OG1-N 3.14Å; T277-S301 PolarHBondContact OG1-OG 2.85Å; T277-M303 HydrophobicContact CG2-CB 4.18Å; T277-V308 HydrophobicContact CG2-CG1 3.59Å; T277-V308 HydrophobicContact CG2-CG2 4.35Å; T277-Y310 WeakPolarHBondContact CB-OH 3.35Å; T277-Y310 PolarHBondContact OG1-OH 2.76Å |
| 278 | N | 89 | Confident | 74.9 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 152.2 | 174.1 | -79.3 | -77.4 | 0 | 0 | 0 | 110.3 | A263 I264 | A263-N278 WeakPolarHBondContact CA-O 3.29Å; I264-N278 HydrophobicContact CD1-CB 4.1Å; I264-N278 HydrophobicContact CG1-CB 3.83Å; I264-N278 WeakPolarHBondContact CG1-O 3.19Å; I264-N278 PolarHBondContact N-O 2.79Å; I264-N278 PolarHBondContact O-N 3.21Å |
| 279 | I | 91.8 | Very high | 74.8 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.2 | 170.3 | -50.6 | -173.2 | 0 | 0 | 0 | 109.4 | L261 A295 I296 L299 Y310 F312 V322 | L261-I279 HydrophobicContact CD2-CG2 4.29Å; I279-A295 WeakPolarHBondContact O-CA 3.41Å; I279-I296 HydrophobicContact CG2-CD1 4.4Å; I279-I296 PolarHBondContact O-N 2.87Å; I279-L299 HydrophobicContact CD1-CB 3.89Å; I279-L299 HydrophobicContact CD1-CD1 3.98Å; I279-L299 HydrophobicContact CD1-CD2 4.38Å; I279-L299 HydrophobicContact CD1-CG 4.3Å; I279-L299 HydrophobicContact CG1-CB 4.15Å; I279-Y310 HydrophobicContact CD1-CD1 3.62Å; I279-Y310 HydrophobicContact CD1-CE1 3.49Å; I279-Y310 VanDerWaalsContact CD1-CE1 3.49Å; I279-Y310 HydrophobicContact CD1-CG 4.38Å; I279-Y310 HydrophobicContact CG1-CD1 4.22Å; I279-Y310 HydrophobicContact CG1-CE1 3.78Å; I279-F312 HydrophobicContact CD1-CE1 4.05Å; I279-F312 HydrophobicContact CD1-CZ 4.21Å; I279-F312 HydrophobicContact CG2-CE1 4.31Å; I279-F312 HydrophobicContact CG2-CZ 4.15Å; I279-V322 HydrophobicContact CD1-CG1 3.6Å |
| 280 | L | 92.3 | Very high | 75.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.9 | 176.7 | -52.1 | -172.8 | 0 | 0 | 0 | 110.1 | F238 W244 L261 L262 I264 I282 A293 A295 | F238-L280 HydrophobicContact CE1-CD1 3.95Å; W244-L280 HydrophobicContact CD2-CD1 4.07Å; W244-L280 HydrophobicContact CD2-CD2 4.06Å; W244-L280 VanDerWaalsContact CE2-CD2 3.45Å; W244-L280 HydrophobicContact CE3-CD1 4.11Å; W244-L280 HydrophobicContact CH2-CD2 4.13Å; W244-L280 HydrophobicContact CZ2-CD2 3.52Å; W244-L280 HydrophobicContact CZ3-CD1 4.41Å; L261-L280 WeakPolarHBondContact CA-O 2.94Å; L262-L280 PolarHBondContact N-O 2.88Å; L262-L280 PolarHBondContact O-N 3.43Å; I264-L280 HydrophobicContact CD1-CD1 3.9Å; I264-L280 HydrophobicContact CD1-CD2 4.29Å; I264-L280 HydrophobicContact CD1-CG 4.07Å; I264-L280 HydrophobicContact CG1-CD1 4.46Å; I264-L280 HydrophobicContact CG1-CG 4.27Å; I264-L280 HydrophobicContact CG2-CD1 4.47Å; L280-I282 HydrophobicContact CB-CD1 4.47Å; L280-I282 HydrophobicContact CB-CG1 4.04Å; L280-A293 HydrophobicContact CB-CB 4.49Å; L280-A293 HydrophobicContact CD1-CB 4.4Å; L280-A295 HydrophobicContact CD2-CB 3.92Å |
| 281 | Y | 92.7 | Very high | 77.3 | Confident | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 114.8 | 160.6 | 179.4 | -102.2 | 0 | 0 | 0 | 108.7 | N259 Y260 L261 S283 A293 V294 L336 P337 P344 | N259-Y281 HydrophobicContact CB-CE2 4.13Å; N259-Y281 WeakPolarHBondContact CB-OH 3.43Å; N259-Y281 PolarHBondContact ND2-OH 2.96Å; Y260-Y281 WeakPolarHBondContact O-CA 3.33Å; L261-Y281 HydrophobicContact CD2-CD2 3.89Å; Y281-S283 VanDerWaalsContact CE1-OG 3.28Å; Y281-S283 WeakPolarHBondContact CE1-OG 2.96Å; Y281-S283 PolarHBondContact OH-OG 2.76Å; Y281-A293 WeakPolarHBondContact O-CA 3.42Å; Y281-V294 PolarHBondContact N-O 3.1Å; Y281-V294 PolarHBondContact O-N 3.25Å; Y281-L336 HydrophobicContact CE2-CD2 4.38Å; Y281-P337 HydrophobicContact CE1-CG 3.83Å; Y281-P337 HydrophobicContact CE2-CG 4.23Å; Y281-P337 WeakPolarHBondContact OH-CG 3.41Å; Y281-P344 HydrophobicContact CD1-CG 3.9Å; Y281-P344 HydrophobicContact CD2-CG 3.62Å; Y281-P344 HydrophobicContact CE1-CG 4.48Å; Y281-P344 HydrophobicContact CE2-CG 4.24Å; Y281-P344 HydrophobicContact CG-CG 3.43Å; Y281-P344 VanDerWaalsContact CG-CG 3.43Å |
| 282 | I | 92 | Very high | 78.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.2 | -175.7 | -52.8 | -175.7 | 0 | 0 | 0 | 108.8 | L234 N259 Y260 L262 L280 P291 S292 A293 | L234-I282 HydrophobicContact CD2-CD1 3.77Å; N259-I282 CarbonylContact C-O 3.5Å; N259-I282 VanDerWaalsContact CA-O 3.29Å; N259-I282 WeakPolarHBondContact CA-O 3.26Å; Y260-I282 PolarHBondContact N-O 2.92Å; Y260-I282 PolarHBondContact O-N 2.8Å; L262-I282 HydrophobicContact CB-CD1 3.73Å; L262-I282 HydrophobicContact CB-CG1 4.37Å; L262-I282 HydrophobicContact CD2-CD1 3.66Å; L262-I282 HydrophobicContact CG-CD1 4.33Å; L280-I282 HydrophobicContact CB-CD1 4.47Å; L280-I282 HydrophobicContact CB-CG1 4.04Å; I282-P291 HydrophobicContact CG2-CB 3.66Å; I282-S292 CarbonylContact C-O 3.06Å; I282-S292 VanDerWaalsContact CA-O 3.32Å; I282-S292 WeakPolarHBondContact CA-O 3.24Å; I282-A293 HydrophobicContact CG1-CB 4.06Å |
| 283 | S | 89.3 | Confident | 80.6 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.1 | 173.2 | -86.9 | 0 | 0 | 0 | 0 | 110.5 | N259 Y281 S292 | N259-S283 PolarHBondContact OD1-OG 2.96Å; Y281-S283 VanDerWaalsContact CE1-OG 3.28Å; Y281-S283 WeakPolarHBondContact CE1-OG 2.96Å; Y281-S283 PolarHBondContact OH-OG 2.76Å; S283-S292 PolarHBondContact N-O 2.85Å; S283-S292 PolarHBondContact O-N 2.89Å; S283-S292 PolarHBondContact O-OG 2.75Å |
| 284 | T | 86.7 | Confident | 81.9 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | trans | -111.3 | 174.5 | 169.1 | 60.3 | 0 | 0 | 0 | 0 | 109.8 | R230 V232 Y258 P291 | R230-T284 PolarHBondContact NH1-OG1 2.99Å; V232-T284 HydrophobicContact CB-CG2 4.48Å; V232-T284 HydrophobicContact CG1-CG2 3.6Å; V232-T284 HydrophobicContact CG2-CG2 4.02Å; Y258-T284 WeakPolarHBondContact CA-OG1 3.48Å; Y258-T284 WeakPolarHBondContact CB-O 3.37Å; Y258-T284 WeakPolarHBondContact CB-OG1 3.4Å; Y258-T284 PolarHBondContact O-N 3.21Å; Y258-T284 PolarHBondContact O-OG1 2.94Å; T284-P291 HydrophobicContact CG2-CB 3.92Å | ||
| 285 | T | 79.1 | Confident | 82.7 | Confident | 72 Ų | 72 | 44.6 Ų | 44.6 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | trans | -121.8 | 177.1 | 165.9 | 70.1 | 0 | 0 | 0 | 0 | 110.5 | R230 K287 S288 | R230-T285 PolarHBondContact NH2-O 2.77Å; T285-K287 PolarHBondContact OG1-N 3.49Å; T285-S288 PolarHBondContact OG1-N 2.68Å; T285-S288 PolarHBondContact OG1-O 3.44Å | ||
| 286 | S | 72.9 | Confident | 83.2 | Confident | 90 Ų | 90 | 45.3 Ų | 45.3 | 63% | 0.629 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -82.3 | -12.5 | 167.9 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 287 | K | 64.5 | Low | 82.8 | Confident | 199 Ų | 199 | 45.5 Ų | 45.5 | 87% | 0.865 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -105.5 | -31 | -173.1 | -66.8 | -172.3 | 177.4 | -175.5 | 0 | 113.9 | T285 | T285-K287 PolarHBondContact OG1-N 3.49Š|
| 288 | S | 59.2 | Low | 81.9 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 28% | 0.28 | 32% | 0.315 | S | S | . | . | trans | -113.4 | 135.8 | 169.8 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | T285 E290 | T285-S288 PolarHBondContact OG1-N 2.68Å; T285-S288 PolarHBondContact OG1-O 3.44Å; S288-E290 VanDerWaalsContact C-N 3.28Å; S288-E290 WeakPolarHBondContact OG-CB 3.35Å; S288-E290 PolarHBondContact OG-N 2.85Å | ||
| 289 | P | 63.4 | Low | 81.2 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | trans | -74.4 | -18.8 | 170.1 | 33.4 | -35.4 | 0 | 0 | 0 | 112.7 | P291 | P289-P291 WeakPolarHBondContact O-CD 3.41Š| ||
| 290 | E | 78.3 | Confident | 80.3 | Confident | 124 Ų | 124 | 55.4 Ų | 55.4 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -67 | 122.3 | -178.9 | -62.9 | 175.3 | 161.2 | 0 | 0 | 110.1 | S288 | S288-E290 VanDerWaalsContact C-N 3.28Å; S288-E290 WeakPolarHBondContact OG-CB 3.35Å; S288-E290 PolarHBondContact OG-N 2.85Å |
| 291 | P | 86.6 | Confident | 79.3 | Confident | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 140.4 | 170.4 | 28.6 | -29.3 | 0 | 0 | 0 | 111 | V232 P233 L237 I282 T284 P289 | V232-P291 HydrophobicContact CG1-CB 3.76Å; V232-P291 HydrophobicContact CG1-CG 3.84Å; P233-P291 WeakPolarHBondContact O-CG 3.28Å; L237-P291 HydrophobicContact CD1-CB 3.86Å; L237-P291 HydrophobicContact CD1-CG 3.59Å; L237-P291 WeakPolarHBondContact CD2-O 3.35Å; L237-P291 HydrophobicContact CG-CG 4.14Å; I282-P291 HydrophobicContact CG2-CB 3.66Å; T284-P291 HydrophobicContact CG2-CB 3.92Å; P289-P291 WeakPolarHBondContact O-CD 3.41Å |
| 292 | S | 86.2 | Confident | 78.1 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 147.2 | 158 | 62.2 | 0 | 0 | 0 | 0 | 109.6 | I282 S283 | I282-S292 CarbonylContact C-O 3.06Å; I282-S292 VanDerWaalsContact CA-O 3.32Å; I282-S292 WeakPolarHBondContact CA-O 3.24Å; S283-S292 PolarHBondContact N-O 2.85Å; S283-S292 PolarHBondContact O-N 2.89Å; S283-S292 PolarHBondContact O-OG 2.75Å |
| 293 | A | 88.2 | Confident | 77.2 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L237 W244 L280 Y281 I282 | L237-A293 HydrophobicContact CD1-CB 3.68Å; L237-A293 HydrophobicContact CD2-CB 4.14Å; W244-A293 HydrophobicContact CH2-CB 4.15Å; W244-A293 HydrophobicContact CZ3-CB 3.94Å; L280-A293 HydrophobicContact CB-CB 4.49Å; L280-A293 HydrophobicContact CD1-CB 4.4Å; Y281-A293 WeakPolarHBondContact O-CA 3.42Å; I282-A293 HydrophobicContact CG1-CB 4.06Å |
| 294 | V | 88.5 | Confident | 76.2 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 38% | 0.376 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.2 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | Y281 L343 | Y281-V294 PolarHBondContact N-O 3.1Å; Y281-V294 PolarHBondContact O-N 3.25Å; V294-L343 HydrophobicContact CB-CD2 4.14Å; V294-L343 HydrophobicContact CG1-CD1 4.49Å; V294-L343 HydrophobicContact CG1-CD2 3.92Å; V294-L343 HydrophobicContact CG2-CD2 3.9Å |
| 295 | A | 88.2 | Confident | 74.9 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 35% | 0.347 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 137.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | W244 I279 L280 | W244-A295 HydrophobicContact CZ2-CB 3.96Å; I279-A295 WeakPolarHBondContact O-CA 3.41Å; L280-A295 HydrophobicContact CD2-CB 3.92Å |
| 296 | I | 86.9 | Confident | 74.2 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.082 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 119.6 | 172.5 | -52.8 | -177.1 | 0 | 0 | 0 | 107.7 | L261 I279 L299 L334 P344 | L261-I296 HydrophobicContact CD2-CD1 3.57Å; I279-I296 HydrophobicContact CG2-CD1 4.4Å; I279-I296 PolarHBondContact O-N 2.87Å; I296-L299 HydrophobicContact CG2-CD1 4Å; I296-L334 HydrophobicContact CD1-CD1 3.71Å; I296-L334 HydrophobicContact CG2-CD2 4.03Å; I296-P344 HydrophobicContact CD1-CB 4.02Å; I296-P344 HydrophobicContact CD1-CG 4.05Å |
| 297 | G | 74.1 | Confident | 74.1 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 47% | 0.474 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 166.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L299 | G297-L299 PolarHBondContact O-N 3.17Š|
| 298 | N | 69.7 | Low | 74.9 | Confident | 150 Ų | 150 | 58.8 Ų | 58.8 | 80% | 0.802 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 7.7 | 176.3 | -52.8 | 10.6 | 0 | 0 | 0 | 115.6 | ||
| 299 | L | 74.9 | Confident | 76.3 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | trans | -116.9 | 15.2 | 178.6 | -77.5 | 162.8 | 0 | 0 | 0 | 113.1 | I279 I296 G297 Y310 V322 I332 L334 | I279-L299 HydrophobicContact CD1-CB 3.89Å; I279-L299 HydrophobicContact CD1-CD1 3.98Å; I279-L299 HydrophobicContact CD1-CD2 4.38Å; I279-L299 HydrophobicContact CD1-CG 4.3Å; I279-L299 HydrophobicContact CG1-CB 4.15Å; I296-L299 HydrophobicContact CG2-CD1 4Å; G297-L299 PolarHBondContact O-N 3.17Å; L299-Y310 PolarHBondContact O-OH 2.85Å; L299-V322 HydrophobicContact CD2-CG1 4.2Å; L299-I332 HydrophobicContact CD2-CB 4.26Å; L299-I332 HydrophobicContact CD2-CD1 3.68Å; L299-I332 HydrophobicContact CD2-CG1 3.98Å; L299-I332 HydrophobicContact CG-CD1 3.98Å; L299-L334 HydrophobicContact CD1-CD1 4.25Å; L299-L334 HydrophobicContact CD1-CD2 4.22Å | ||
| 300 | S | 72.1 | Confident | 77.7 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | trans | -98.6 | 135.9 | 178.1 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | T277 | T277-S300 WeakPolarHBondContact O-CA 3.47Å; T277-S300 WeakPolarHBondContact O-CB 3.42Å | ||
| 301 | S | 72.4 | Confident | 78.3 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | trans | -135.9 | 162.7 | -178.9 | 72.1 | 0 | 0 | 0 | 0 | 111.9 | L276 T277 M303 L324 | L276-S301 WeakPolarHBondContact CA-O 3.25Å; T277-S301 PolarHBondContact N-O 3.03Å; T277-S301 PolarHBondContact OG1-N 3.14Å; T277-S301 PolarHBondContact OG1-OG 2.85Å; S301-M303 WeakPolarHBondContact OG-CG 3.47Å; S301-L324 VanDerWaalsContact CB-CD2 3.49Å; S301-L324 WeakPolarHBondContact OG-CD2 3.27Å | ||
| 302 | H | 67.9 | Low | 78.6 | Confident | 124 Ų | 124 | 48.2 Ų | 48.2 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.3 | 160.3 | -75.1 | -88.5 | 0 | 0 | 0 | 109.3 | C275 | C275-H302 WeakPolarHBondContact O-CA 3.42Å |
| 303 | M | 72.6 | Confident | 78.9 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 148.2 | -162.6 | -104.6 | -79.2 | -119.5 | 0 | 0 | 113 | C275 T277 S301 H305 V308 L324 A325 C326 V327 | C275-M303 PolarHBondContact N-O 2.87Å; C275-M303 PolarHBondContact O-N 2.86Å; C275-M303 PolarHBondContact SG-O 3.35Å; T277-M303 HydrophobicContact CG2-CB 4.18Å; S301-M303 WeakPolarHBondContact OG-CG 3.47Å; M303-H305 PolarHBondContact O-N 3.07Å; M303-V308 HydrophobicContact CB-CG2 4.2Å; M303-L324 HydrophobicContact CE-CD1 3.78Å; M303-L324 HydrophobicContact CE-CD2 4.3Å; M303-L324 HydrophobicContact CE-CG 4.04Å; M303-L324 HydrophobicContact CG-CD2 4.35Å; M303-A325 WeakPolarHBondContact CE-O 3.21Å; M303-C326 HydrophobicContact CE-CB 4.11Å; M303-V327 HydrophobicContact CE-CB 4.31Å; M303-V327 HydrophobicContact CE-CG2 4.13Å; M303-V327 HydrophobicContact CG-CB 4.34Å; M303-V327 HydrophobicContact CG-CG2 3.92Å; M303-V327 HydrophobicContact SD-CB 4.2Å; M303-V327 HydrophobicContact SD-CG2 3.46Å; M303-V327 WeakPolarHBondContact SD-CG2 3.27Å |
| 304 | D | 67 | Low | 79 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 120.4 | 166.9 | 174.5 | -6 | 0 | 0 | 0 | 109.7 | N306 K307 | D304-N306 PolarHBondContact O-N 3.03Å; D304-N306 PolarHBondContact OD1-N 2.89Å; D304-K307 HydrophobicContact CB-CB 4.47Å; D304-K307 HydrophobicContact CB-CD 4.47Å; D304-K307 HydrophobicContact CB-CG 4.33Å; D304-K307 PolarHBondContact O-N 3.48Å; D304-K307 WeakPolarHBondContact OD2-CE 3.48Å |
| 305 | H | 60.4 | Low | 78.8 | Confident | 46 Ų | 46 | 48.3 Ų | 48.3 | 21% | 0.213 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | -32 | 177.3 | -100.2 | -66.3 | 0 | 0 | 0 | 114.4 | K265 S267 S273 C275 M303 | K265-H305 PolarHBondContact NZ-O 3.4Å; S267-H305 WeakPolarHBondContact CA-NE2 3.2Å; S267-H305 WeakPolarHBondContact CB-NE2 3.37Å; S273-H305 PolarHBondContact O-CD2 2.83Å; S273-H305 VanDerWaalsContact O-CD2 3.26Å; S273-H305 PolarHBondContact O-N 3.44Å; C275-H305 VanDerWaalsContact CB-CE1 3.47Å; C275-H305 WeakPolarHBondContact CB-CE1 3.4Å; M303-H305 PolarHBondContact O-N 3.07Å |
| 306 | N | 64.9 | Low | 78.3 | Confident | 130 Ų | 130 | 46.5 Ų | 46.5 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13.5 | -175.9 | -67.9 | -32 | 0 | 0 | 0 | 114.9 | D304 | D304-N306 PolarHBondContact O-N 3.03Å; D304-N306 PolarHBondContact OD1-N 2.89Å |
| 307 | K | 70.2 | Confident | 77.9 | Confident | 101 Ų | 101 | 49.5 Ų | 49.5 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -107.7 | 5.1 | -172.2 | -60.3 | -171.4 | -176.6 | -172.9 | 0 | 115.1 | D304 Q309 | D304-K307 HydrophobicContact CB-CB 4.47Å; D304-K307 HydrophobicContact CB-CD 4.47Å; D304-K307 HydrophobicContact CB-CG 4.33Å; D304-K307 PolarHBondContact O-N 3.48Å; D304-K307 WeakPolarHBondContact OD2-CE 3.48Å; K307-Q309 PolarHBondContact O-N 2.78Å |
| 308 | V | 80.7 | Confident | 78.4 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | trans | -75 | 117.2 | -173.7 | -160.3 | 0 | 0 | 0 | 0 | 113 | R22 V250 K265 C275 T277 M303 Y310 L324 | R22-V308 PolarHBondContact NE-O 3.25Å; R22-V308 PolarHBondContact NH2-O 2.89Å; V250-V308 HydrophobicContact CG1-CB 4.16Å; V250-V308 HydrophobicContact CG1-CG1 3.87Å; V250-V308 WeakPolarHBondContact CG1-O 2.98Å; K265-V308 HydrophobicContact CD-CB 4.21Å; K265-V308 HydrophobicContact CD-CG2 3.88Å; C275-V308 WeakPolarHBondContact SG-CG2 3.28Å; T277-V308 HydrophobicContact CG2-CG1 3.59Å; T277-V308 HydrophobicContact CG2-CG2 4.35Å; M303-V308 HydrophobicContact CB-CG2 4.2Å; V308-Y310 HydrophobicContact CG1-CE2 4.35Å; V308-L324 HydrophobicContact CG1-CD1 4.32Å | ||
| 309 | Q | 89.2 | Confident | 79.3 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | trans | -149.3 | 133.2 | 171.8 | -177 | -178.3 | -15.2 | 0 | 0 | 110.3 | R22 S23 D251 K307 A325 | R22-Q309 VanDerWaalsContact CA-OE1 3.24Å; R22-Q309 HydrophobicContact CG-CB 4.4Å; S23-Q309 PolarHBondContact O-NE2 2.61Å; S23-Q309 PolarHBondContact O-OE1 3.16Å; D251-Q309 WeakPolarHBondContact OD2-CA 3.43Å; K307-Q309 PolarHBondContact O-N 2.78Å; Q309-A325 HydrophobicContact CB-CB 4.1Å; Q309-A325 WeakPolarHBondContact O-CB 3.47Å; Q309-A325 PolarHBondContact O-N 3.27Å | ||
| 310 | Y | 92.1 | Very high | 80.1 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.2 | 172.4 | -77.8 | -92.2 | 0 | 0 | 0 | 110.5 | D251 A263 T277 I279 L299 V308 F312 V322 T323 L324 | D251-Y310 PolarHBondContact OD2-N 2.83Å; A263-Y310 HydrophobicContact CB-CD2 3.34Å; A263-Y310 HydrophobicContact CB-CE2 3.82Å; A263-Y310 HydrophobicContact CB-CG 3.94Å; T277-Y310 WeakPolarHBondContact CB-OH 3.35Å; T277-Y310 PolarHBondContact OG1-OH 2.76Å; I279-Y310 HydrophobicContact CD1-CD1 3.62Å; I279-Y310 HydrophobicContact CD1-CE1 3.49Å; I279-Y310 VanDerWaalsContact CD1-CE1 3.49Å; I279-Y310 HydrophobicContact CD1-CG 4.38Å; I279-Y310 HydrophobicContact CG1-CD1 4.22Å; I279-Y310 HydrophobicContact CG1-CE1 3.78Å; L299-Y310 PolarHBondContact O-OH 2.85Å; V308-Y310 HydrophobicContact CG1-CE2 4.35Å; Y310-F312 PolarHBondContact O-N 3.24Å; Y310-V322 HydrophobicContact CD1-CG1 4.06Å; Y310-T323 CarbonylContact C-O 3.59Å; Y310-T323 WeakPolarHBondContact CA-O 3.32Å; Y310-L324 HydrophobicContact CD1-CB 4.16Å; Y310-L324 HydrophobicContact CD1-CD1 4.29Å; Y310-L324 HydrophobicContact CD2-CD1 4.1Å; Y310-L324 HydrophobicContact CE1-CB 3.93Å; Y310-L324 HydrophobicContact CE1-CD1 4.06Å; Y310-L324 HydrophobicContact CE1-CG 4.47Å; Y310-L324 HydrophobicContact CE2-CD1 3.87Å; Y310-L324 HydrophobicContact CG-CD1 4.35Å |
| 311 | C | 91.5 | Very high | 81.1 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 95.5 | 174.4 | -64.5 | 0 | 0 | 0 | 0 | 109.8 | T323 M361 | C311-T323 HydrophobicContact CB-CG2 4.03Å; C311-T323 PolarHBondContact N-O 2.75Å; C311-T323 PolarHBondContact O-N 3.21Å; C311-M361 HydrophobicContact CB-CB 4Å; C311-M361 HydrophobicContact CB-CE 4.11Å; C311-M361 WeakPolarHBondContact O-CE 3.28Å |
| 312 | F | 93.7 | Very high | 82 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.1 | 169.4 | -64.3 | -60.4 | 0 | 0 | 0 | 111.2 | D251 L253 L261 A263 I279 Y310 V320 V322 | D251-F312 HydrophobicContact CB-CD2 4.07Å; D251-F312 HydrophobicContact CB-CE2 3.75Å; L253-F312 HydrophobicContact CB-CB 4.13Å; L253-F312 HydrophobicContact CB-CD2 4.26Å; L253-F312 HydrophobicContact CB-CG 4.14Å; L253-F312 HydrophobicContact CD1-CB 4.38Å; L253-F312 HydrophobicContact CD2-CB 4.26Å; L253-F312 HydrophobicContact CG-CB 4.49Å; L261-F312 HydrophobicContact CB-CE1 4.27Å; L261-F312 HydrophobicContact CB-CZ 4.35Å; L261-F312 HydrophobicContact CD1-CD1 4.44Å; L261-F312 HydrophobicContact CD1-CE1 4.35Å; A263-F312 HydrophobicContact CB-CE2 4.16Å; A263-F312 HydrophobicContact CB-CZ 4.1Å; I279-F312 HydrophobicContact CD1-CE1 4.05Å; I279-F312 HydrophobicContact CD1-CZ 4.21Å; I279-F312 HydrophobicContact CG2-CE1 4.31Å; I279-F312 HydrophobicContact CG2-CZ 4.15Å; Y310-F312 PolarHBondContact O-N 3.24Å; F312-V320 HydrophobicContact CD1-CG1 4.49Å; F312-V322 HydrophobicContact CD1-CB 4.46Å; F312-V322 HydrophobicContact CD1-CG1 4.01Å; F312-V322 HydrophobicContact CD1-CG2 3.89Å; F312-V322 HydrophobicContact CE1-CG1 3.75Å; F312-V322 HydrophobicContact CE1-CG2 4.03Å |
| 313 | R | 92.6 | Very high | 83.1 | Confident | 68 Ų | 68 | 32.9 Ų | 32.9 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 140.7 | 171 | -68.8 | -62.5 | -174.3 | -86.5 | -1.2 | 111.6 | V320 I321 M361 D362 V363 | R313-V320 CarbonylContact O-C 3.54Å; R313-V320 WeakPolarHBondContact O-CA 3.39Å; R313-V320 WeakPolarHBondContact O-CG1 3.33Å; R313-I321 PolarHBondContact N-O 2.89Å; R313-I321 PolarHBondContact O-N 3.43Å; R313-M361 HydrophobicContact CB-CE 4.21Å; R313-M361 HydrophobicContact CG-CE 4.04Å; R313-M361 VanDerWaalsContact CZ-O 3.26Å; R313-M361 PolarHBondContact NE-O 3.39Å; R313-M361 PolarHBondContact NH2-O 2.9Å; R313-M361 VanDerWaalsContact NH2-O 3.15Å; R313-D362 WeakPolarHBondContact CD-OD1 3.45Å; R313-D362 IonicContact CZ-OD1 2.66Å; R313-D362 IonicContact NE-OD1 3.2Å; R313-D362 PolarHBondContact NE-OD1 2.85Å; R313-D362 IonicContact NH2-OD1 3.42Å; R313-V363 HydrophobicContact CB-CG2 3.93Å; R313-V363 HydrophobicContact CG-CG2 4.39Å |
| 314 | F | 89.4 | Confident | 83.8 | Confident | 79 Ų | 79 | 33 Ų | 33 | 35% | 0.346 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 128.3 | 168.2 | -73.8 | -80.1 | 0 | 0 | 0 | 110 | L253 V320 | L253-F314 HydrophobicContact CD1-CD2 4.3Å; L253-F314 HydrophobicContact CD1-CE2 3.75Å; L253-F314 HydrophobicContact CD1-CZ 4.32Å; L253-F314 HydrophobicContact CD2-CD2 4.48Å; L253-F314 HydrophobicContact CD2-CE1 4.3Å; L253-F314 HydrophobicContact CD2-CE2 4.07Å; L253-F314 HydrophobicContact CD2-CZ 3.97Å; L253-F314 HydrophobicContact CG-CE2 4.11Å; L253-F314 HydrophobicContact CG-CZ 4.17Å; F314-V320 HydrophobicContact CD1-CG2 3.82Å; F314-V320 HydrophobicContact CE1-CG2 3.95Å |
| 315 | L | 84.5 | Confident | 84.6 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -43.6 | 163.7 | 179.7 | 57.2 | 0 | 0 | 0 | 110 | I4 H319 I321 V333 V363 I379 L395 L403 | I4-L315 HydrophobicContact CD1-CD2 4.44Å; L315-H319 HydrophobicContact CB-CB 4.07Å; L315-H319 HydrophobicContact CD2-CB 4.43Å; L315-H319 PolarHBondContact N-O 2.85Å; L315-I321 HydrophobicContact CB-CD1 4.17Å; L315-I321 HydrophobicContact CB-CG1 3.91Å; L315-I321 HydrophobicContact CD1-CD1 4.29Å; L315-I321 HydrophobicContact CD2-CD1 4.23Å; L315-I321 HydrophobicContact CD2-CG1 4.41Å; L315-I321 HydrophobicContact CG-CD1 4.47Å; L315-V333 HydrophobicContact CD2-CG1 4.11Å; L315-V363 HydrophobicContact CD1-CG1 4.08Å; L315-I379 HydrophobicContact CD1-CG2 3.67Å; L315-L395 HydrophobicContact CD1-CD1 3.67Å; L315-L395 HydrophobicContact CD2-CD1 4.29Å; L315-L403 HydrophobicContact CD2-CD1 4.1Å; L315-L403 HydrophobicContact CD2-CD2 3.95Å; L315-L403 HydrophobicContact CG-CB 4.33Å; L315-L403 HydrophobicContact CG-CD1 4.45Å; L315-L403 HydrophobicContact CG-CD2 4.11Å; L315-L403 CarbonylContact O-C 3.56Å |
| 316 | G | 78.4 | Confident | 85.4 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | -176.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N318 H319 | G316-N318 PolarHBondContact O-N 3.24Å; G316-H319 PolarHBondContact N-O 3.5Å; G316-H319 PolarHBondContact O-N 2.8Å; G316-H319 VanDerWaalsContact O-N 3.14Å; G316-H319 VanDerWaalsContact O-O 3.11Å |
| 317 | P | 78.7 | Confident | 85.9 | Confident | 79 Ų | 79 | 27.4 Ų | 27.4 | 51% | 0.513 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.9 | -173.3 | 23.2 | -34.6 | 0 | 0 | 0 | 114.4 | ||
| 318 | N | 84.6 | Confident | 85.9 | Confident | 55 Ų | 55 | 23 Ų | 23 | 29% | 0.294 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 10.7 | 179.6 | -56.7 | -54.1 | 0 | 0 | 0 | 113.2 | G316 K335 L336 | G316-N318 PolarHBondContact O-N 3.24Å; N318-K335 WeakPolarHBondContact O-CA 3.5Å; N318-L336 PolarHBondContact O-N 3Å |
| 319 | H | 88.4 | Confident | 85.9 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126 | -174.3 | -63.2 | 112.1 | 0 | 0 | 0 | 110.8 | L315 G316 L334 L403 | L315-H319 HydrophobicContact CB-CB 4.07Å; L315-H319 HydrophobicContact CD2-CB 4.43Å; L315-H319 PolarHBondContact N-O 2.85Å; G316-H319 PolarHBondContact N-O 3.5Å; G316-H319 PolarHBondContact O-N 2.8Å; G316-H319 VanDerWaalsContact O-N 3.14Å; G316-H319 VanDerWaalsContact O-O 3.11Å; H319-L334 CarbonylContact C-O 3.59Å; H319-L334 WeakPolarHBondContact CA-O 3.25Å; H319-L403 HydrophobicContact CB-CD2 4.36Å; H319-L403 VanDerWaalsContact ND1-CD2 3.33Å; H319-L403 WeakPolarHBondContact ND1-CD2 3.44Å |
| 320 | V | 91.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.9 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | L253 L261 F312 R313 F314 V322 L334 L336 | L253-V320 HydrophobicContact CD2-CB 4.4Å; L253-V320 HydrophobicContact CD2-CG1 3.66Å; L253-V320 HydrophobicContact CD2-CG2 3.74Å; L261-V320 HydrophobicContact CD1-CB 4.39Å; L261-V320 HydrophobicContact CD1-CG1 3.98Å; F312-V320 HydrophobicContact CD1-CG1 4.49Å; R313-V320 CarbonylContact O-C 3.54Å; R313-V320 WeakPolarHBondContact O-CA 3.39Å; R313-V320 WeakPolarHBondContact O-CG1 3.33Å; F314-V320 HydrophobicContact CD1-CG2 3.82Å; F314-V320 HydrophobicContact CE1-CG2 3.95Å; V320-V322 HydrophobicContact CG1-CG2 4.07Å; V320-L334 PolarHBondContact N-O 2.64Å; V320-L334 PolarHBondContact O-N 3.38Å; V320-L336 HydrophobicContact CG2-CD1 3.74Å; V320-L336 HydrophobicContact CG2-CD2 4.42Å; V320-L336 HydrophobicContact CG2-CG 4.11Å |
| 321 | I | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.1 | 170.4 | -47.8 | -165.5 | 0 | 0 | 0 | 108.7 | R313 L315 V331 I332 V333 M361 V363 L381 L395 | R313-I321 PolarHBondContact N-O 2.89Å; R313-I321 PolarHBondContact O-N 3.43Å; L315-I321 HydrophobicContact CB-CD1 4.17Å; L315-I321 HydrophobicContact CB-CG1 3.91Å; L315-I321 HydrophobicContact CD1-CD1 4.29Å; L315-I321 HydrophobicContact CD2-CD1 4.23Å; L315-I321 HydrophobicContact CD2-CG1 4.41Å; L315-I321 HydrophobicContact CG-CD1 4.47Å; I321-V331 HydrophobicContact CG2-CG1 3.14Å; I321-I332 WeakPolarHBondContact CA-O 3.43Å; I321-V333 HydrophobicContact CG1-CG2 4.35Å; I321-M361 HydrophobicContact CB-CE 4Å; I321-M361 HydrophobicContact CG2-CE 3.7Å; I321-M361 HydrophobicContact CG2-SD 3.77Å; I321-V363 HydrophobicContact CD1-CG2 3.87Å; I321-L381 HydrophobicContact CD1-CD1 4.42Å; I321-L395 HydrophobicContact CD1-CD1 3.84Å |
| 322 | V | 92.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133 | -178.4 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | I279 L299 Y310 F312 V320 I332 L334 | I279-V322 HydrophobicContact CD1-CG1 3.6Å; L299-V322 HydrophobicContact CD2-CG1 4.2Å; Y310-V322 HydrophobicContact CD1-CG1 4.06Å; F312-V322 HydrophobicContact CD1-CB 4.46Å; F312-V322 HydrophobicContact CD1-CG1 4.01Å; F312-V322 HydrophobicContact CD1-CG2 3.89Å; F312-V322 HydrophobicContact CE1-CG1 3.75Å; F312-V322 HydrophobicContact CE1-CG2 4.03Å; V320-V322 HydrophobicContact CG1-CG2 4.07Å; V322-I332 PolarHBondContact N-O 3.37Å; V322-I332 PolarHBondContact O-N 3.15Å; V322-L334 HydrophobicContact CG2-CD1 3.59Å; V322-L334 HydrophobicContact CG2-CG 4.02Å |
| 323 | T | 90.2 | Very high | 85.6 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 160.5 | 160.1 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | Y310 C311 E330 V331 A358 M361 | Y310-T323 CarbonylContact C-O 3.59Å; Y310-T323 WeakPolarHBondContact CA-O 3.32Å; C311-T323 HydrophobicContact CB-CG2 4.03Å; C311-T323 PolarHBondContact N-O 2.75Å; C311-T323 PolarHBondContact O-N 3.21Å; T323-E330 PolarHBondContact OG1-O 2.84Å; T323-V331 HydrophobicContact CG2-CG2 4.27Å; T323-A358 HydrophobicContact CG2-CB 4Å; T323-M361 HydrophobicContact CG2-CB 4.26Å; T323-M361 HydrophobicContact CG2-CE 4.27Å; T323-M361 HydrophobicContact CG2-SD 3.77Å |
| 324 | L | 87.5 | Confident | 85.5 | Confident | 13 Ų | 13 | 30.1 Ų | 30.1 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.5 | 177.3 | 171.7 | 64 | 0 | 0 | 0 | 108.4 | S301 M303 V308 Y310 V327 G328 | S301-L324 VanDerWaalsContact CB-CD2 3.49Å; S301-L324 WeakPolarHBondContact OG-CD2 3.27Å; M303-L324 HydrophobicContact CE-CD1 3.78Å; M303-L324 HydrophobicContact CE-CD2 4.3Å; M303-L324 HydrophobicContact CE-CG 4.04Å; M303-L324 HydrophobicContact CG-CD2 4.35Å; V308-L324 HydrophobicContact CG1-CD1 4.32Å; Y310-L324 HydrophobicContact CD1-CB 4.16Å; Y310-L324 HydrophobicContact CD1-CD1 4.29Å; Y310-L324 HydrophobicContact CD2-CD1 4.1Å; Y310-L324 HydrophobicContact CE1-CB 3.93Å; Y310-L324 HydrophobicContact CE1-CD1 4.06Å; Y310-L324 HydrophobicContact CE1-CG 4.47Å; Y310-L324 HydrophobicContact CE2-CD1 3.87Å; Y310-L324 HydrophobicContact CG-CD1 4.35Å; L324-V327 HydrophobicContact CD2-CB 3.86Å; L324-V327 HydrophobicContact CD2-CG1 3.99Å; L324-V327 HydrophobicContact CG-CB 4.36Å; L324-G328 VanDerWaalsContact O-CA 3.3Å; L324-G328 WeakPolarHBondContact O-CA 3.36Å; L324-G328 PolarHBondContact O-N 2.61Å |
| 325 | A | 83.7 | Confident | 85.5 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 148.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | M303 Q309 V327 A358 | M303-A325 WeakPolarHBondContact CE-O 3.21Å; Q309-A325 HydrophobicContact CB-CB 4.1Å; Q309-A325 WeakPolarHBondContact O-CB 3.47Å; Q309-A325 PolarHBondContact O-N 3.27Å; A325-V327 PolarHBondContact O-N 2.92Å; A325-A358 CarbonylContact C-O 3.56Å; A325-A358 VanDerWaalsContact CA-O 3.25Å; A325-A358 WeakPolarHBondContact CA-O 3.37Å |
| 326 | C | 76.3 | Confident | 85.7 | Confident | 46 Ų | 46 | 30.1 Ų | 30.1 | 31% | 0.311 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | -16.8 | 177.8 | -54 | 0 | 0 | 0 | 0 | 117.9 | M303 C357 A358 M359 | M303-C326 HydrophobicContact CE-CB 4.11Å; C326-C357 PolarHBondContact O-SG 3.35Å; C326-A358 PolarHBondContact N-O 3.45Å; C326-M359 VanDerWaalsContact CA-CE 3.46Å; C326-M359 HydrophobicContact CB-CE 4.03Å; C326-M359 WeakPolarHBondContact SG-CE 3.17Å |
| 327 | V | 76.2 | Confident | 86 | Confident | 65 Ų | 65 | 30.8 Ų | 30.8 | 39% | 0.394 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134 | -11.9 | 179.5 | 166.9 | 0 | 0 | 0 | 0 | 113.4 | M303 L324 A325 E329 | M303-V327 HydrophobicContact CE-CB 4.31Å; M303-V327 HydrophobicContact CE-CG2 4.13Å; M303-V327 HydrophobicContact CG-CB 4.34Å; M303-V327 HydrophobicContact CG-CG2 3.92Å; M303-V327 HydrophobicContact SD-CB 4.2Å; M303-V327 HydrophobicContact SD-CG2 3.46Å; M303-V327 WeakPolarHBondContact SD-CG2 3.27Å; L324-V327 HydrophobicContact CD2-CB 3.86Å; L324-V327 HydrophobicContact CD2-CG1 3.99Å; L324-V327 HydrophobicContact CG-CB 4.36Å; A325-V327 PolarHBondContact O-N 2.92Å; V327-E329 PolarHBondContact O-N 3.11Å |
| 328 | G | 69.7 | Low | 85.8 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | trans | -63.8 | 109.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L324 E330 L352 C357 A358 | L324-G328 VanDerWaalsContact O-CA 3.3Å; L324-G328 WeakPolarHBondContact O-CA 3.36Å; L324-G328 PolarHBondContact O-N 2.61Å; G328-E330 VanDerWaalsContact C-N 3.35Å; G328-L352 WeakPolarHBondContact O-CD1 3.48Å; G328-C357 WeakPolarHBondContact O-CA 3.25Å; G328-C357 WeakPolarHBondContact O-CB 3.46Å; G328-A358 PolarHBondContact O-N 3.14Å | ||
| 329 | E | 81.7 | Confident | 85 | Confident | 161 Ų | 161 | 33.8 Ų | 33.8 | 75% | 0.752 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -85.3 | -12.1 | 162.6 | -61.8 | 179.7 | 161.9 | 0 | 0 | 111.6 | V327 L352 | V327-E329 PolarHBondContact O-N 3.11Å; E329-L352 VanDerWaalsContact O-CB 3.28Å; E329-L352 WeakPolarHBondContact O-CB 3.41Å; E329-L352 PolarHBondContact O-N 2.8Å |
| 330 | E | 87 | Confident | 83.7 | Confident | 87 Ų | 87 | 38.6 Ų | 38.6 | 41% | 0.407 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 162.5 | 178.7 | -63.2 | -170.1 | 163.5 | 0 | 0 | 112.6 | T323 G328 S349 I350 | T323-E330 PolarHBondContact OG1-O 2.84Å; G328-E330 VanDerWaalsContact C-N 3.35Å; E330-S349 WeakPolarHBondContact CB-OG 3.27Å; E330-S349 VanDerWaalsContact CD-OG 3.31Å; E330-S349 VanDerWaalsContact OE2-CB 3.29Å; E330-S349 WeakPolarHBondContact OE2-CB 3.3Å; E330-S349 PolarHBondContact OE2-OG 2.8Å; E330-I350 CarbonylContact C-O 3.58Å; E330-I350 WeakPolarHBondContact CA-O 3.23Å |
| 331 | V | 90.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 113.1 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | I321 T323 I350 L352 M361 L381 T383 | I321-V331 HydrophobicContact CG2-CG1 3.14Å; T323-V331 HydrophobicContact CG2-CG2 4.27Å; V331-I350 HydrophobicContact CB-CB 4.22Å; V331-I350 PolarHBondContact N-O 3.13Å; V331-I350 PolarHBondContact O-N 2.58Å; V331-L352 HydrophobicContact CG2-CD1 3.91Å; V331-L352 HydrophobicContact CG2-CD2 3.78Å; V331-L352 HydrophobicContact CG2-CG 3.95Å; V331-M361 HydrophobicContact CG1-SD 3.51Å; V331-M361 VanDerWaalsContact CG1-SD 3.51Å; V331-M361 HydrophobicContact CG2-SD 4.33Å; V331-L381 HydrophobicContact CG1-CD2 4.15Å; V331-T383 HydrophobicContact CG2-CG2 4.15Å |
| 332 | I | 91.2 | Very high | 81.3 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131 | -169.4 | -52.3 | -155.1 | 0 | 0 | 0 | 111.1 | L299 I321 V322 L334 V346 | L299-I332 HydrophobicContact CD2-CB 4.26Å; L299-I332 HydrophobicContact CD2-CD1 3.68Å; L299-I332 HydrophobicContact CD2-CG1 3.98Å; L299-I332 HydrophobicContact CG-CD1 3.98Å; I321-I332 WeakPolarHBondContact CA-O 3.43Å; V322-I332 PolarHBondContact N-O 3.37Å; V322-I332 PolarHBondContact O-N 3.15Å; I332-L334 HydrophobicContact CG2-CD2 4.19Å; I332-V346 HydrophobicContact CG2-CB 4.31Å; I332-V346 HydrophobicContact CG2-CG1 3.68Å; I332-V346 HydrophobicContact CG2-CG2 3.83Å |
| 333 | V | 91.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 107.7 | 173.8 | -171.7 | 0 | 0 | 0 | 0 | 110 | I4 L315 I321 V347 M348 I350 | I4-V333 HydrophobicContact CD1-CG1 4.26Å; L315-V333 HydrophobicContact CD2-CG1 4.11Å; I321-V333 HydrophobicContact CG1-CG2 4.35Å; V333-V347 PolarHBondContact O-N 2.83Å; V333-M348 HydrophobicContact CB-CB 4.06Å; V333-M348 HydrophobicContact CG2-CB 4.06Å; V333-M348 HydrophobicContact CG2-CG 3.98Å; V333-M348 HydrophobicContact CG2-SD 3.9Å; V333-M348 PolarHBondContact N-O 2.91Å; V333-I350 HydrophobicContact CG2-CD1 4.43Å |
| 334 | L | 90.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.5 | 173.6 | -62 | 179.8 | 0 | 0 | 0 | 111.1 | L261 I296 L299 H319 V320 V322 I332 V346 | L261-L334 HydrophobicContact CD1-CD1 4.38Å; I296-L334 HydrophobicContact CD1-CD1 3.71Å; I296-L334 HydrophobicContact CG2-CD2 4.03Å; L299-L334 HydrophobicContact CD1-CD1 4.25Å; L299-L334 HydrophobicContact CD1-CD2 4.22Å; H319-L334 CarbonylContact C-O 3.59Å; H319-L334 WeakPolarHBondContact CA-O 3.25Å; V320-L334 PolarHBondContact N-O 2.64Å; V320-L334 PolarHBondContact O-N 3.38Å; V322-L334 HydrophobicContact CG2-CD1 3.59Å; V322-L334 HydrophobicContact CG2-CG 4.02Å; I332-L334 HydrophobicContact CG2-CD2 4.19Å; L334-V346 HydrophobicContact CD2-CG2 3.74Å |
| 335 | K | 89.8 | Confident | 80.4 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.2 | 163.4 | -179.7 | 172.7 | -179.8 | 176 | 0 | 109.7 | N318 P344 Q345 V347 | N318-K335 WeakPolarHBondContact O-CA 3.5Å; K335-P344 VanDerWaalsContact O-CA 3.3Å; K335-P344 WeakPolarHBondContact O-CA 3.16Å; K335-Q345 PolarHBondContact N-O 2.86Å; K335-Q345 PolarHBondContact O-N 3.04Å; K335-V347 HydrophobicContact CB-CG2 3.5Å; K335-V347 VanDerWaalsContact CB-CG2 3.5Å; K335-V347 HydrophobicContact CD-CG2 4.08Å; K335-V347 HydrophobicContact CG-CG2 4.46Å |
| 336 | L | 88.6 | Confident | 80.6 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 148.1 | 179.3 | -63.1 | 178.8 | 0 | 0 | 0 | 111.7 | T255 L261 Y281 N318 V320 I338 | T255-L336 HydrophobicContact CG2-CD1 3.73Å; T255-L336 HydrophobicContact CG2-CD2 4.34Å; L261-L336 HydrophobicContact CD1-CD2 4.31Å; Y281-L336 HydrophobicContact CE2-CD2 4.38Å; N318-L336 PolarHBondContact O-N 3Å; V320-L336 HydrophobicContact CG2-CD1 3.74Å; V320-L336 HydrophobicContact CG2-CD2 4.42Å; V320-L336 HydrophobicContact CG2-CG 4.11Å; L336-I338 PolarHBondContact O-N 3.31Å |
| 337 | P | 84 | Confident | 81.1 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 125.6 | 178 | 29.4 | -34.2 | 0 | 0 | 0 | 111.8 | Y281 S342 | Y281-P337 HydrophobicContact CE1-CG 3.83Å; Y281-P337 HydrophobicContact CE2-CG 4.23Å; Y281-P337 WeakPolarHBondContact OH-CG 3.41Å; P337-S342 WeakPolarHBondContact CB-O 3.38Å; P337-S342 WeakPolarHBondContact CB-OG 3.47Å; P337-S342 WeakPolarHBondContact CG-O 3.3Å |
| 338 | I | 74.5 | Confident | 81.6 | Confident | 132 Ų | 132 | 57 Ų | 57 | 68% | 0.677 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -82.7 | -31.9 | 174.5 | -56.6 | 173.3 | 0 | 0 | 0 | 110.7 | L336 | L336-I338 PolarHBondContact O-N 3.31Š|
| 339 | A | 67.2 | Low | 82.5 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -100.4 | 137 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G341 S342 | A339-G341 PolarHBondContact O-N 2.92Å; A339-S342 PolarHBondContact O-N 2.9Å; A339-S342 PolarHBondContact O-OG 2.84Å |
| 340 | A | 60.9 | Low | 83 | Confident | 111 Ų | 111 | 50.8 Ų | 50.8 | 92% | 0.917 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 135.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | S342 | A340-S342 VanDerWaalsContact C-N 3.34Š|
| 341 | G | 61.6 | Low | 83 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 89% | 0.887 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -8.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A339 | A339-G341 PolarHBondContact O-N 2.92Š|
| 342 | S | 71.9 | Confident | 82.9 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -84 | 148.7 | 166.9 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | P337 A339 A340 | P337-S342 WeakPolarHBondContact CB-O 3.38Å; P337-S342 WeakPolarHBondContact CB-OG 3.47Å; P337-S342 WeakPolarHBondContact CG-O 3.3Å; A339-S342 PolarHBondContact O-N 2.9Å; A339-S342 PolarHBondContact O-OG 2.84Å; A340-S342 VanDerWaalsContact C-N 3.34Å |
| 343 | L | 80.2 | Confident | 82.5 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 57% | 0.571 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -93.1 | 155.3 | -179.5 | -61.9 | -178.6 | 0 | 0 | 0 | 111.5 | V294 | V294-L343 HydrophobicContact CB-CD2 4.14Å; V294-L343 HydrophobicContact CG1-CD1 4.49Å; V294-L343 HydrophobicContact CG1-CD2 3.92Å; V294-L343 HydrophobicContact CG2-CD2 3.9Å |
| 344 | P | 86 | Confident | 82 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 13% | 0.13 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 144.1 | 165.1 | -18.2 | 30.8 | 0 | 0 | 0 | 111.4 | Y281 I296 K335 | Y281-P344 HydrophobicContact CD1-CG 3.9Å; Y281-P344 HydrophobicContact CD2-CG 3.62Å; Y281-P344 HydrophobicContact CE1-CG 4.48Å; Y281-P344 HydrophobicContact CE2-CG 4.24Å; Y281-P344 HydrophobicContact CG-CG 3.43Å; Y281-P344 VanDerWaalsContact CG-CG 3.43Å; I296-P344 HydrophobicContact CD1-CB 4.02Å; I296-P344 HydrophobicContact CD1-CG 4.05Å; K335-P344 VanDerWaalsContact O-CA 3.3Å; K335-P344 WeakPolarHBondContact O-CA 3.16Å |
| 345 | Q | 86.3 | Confident | 81.4 | Confident | 111 Ų | 111 | 63.6 Ų | 63.6 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.8 | -178.9 | -170.5 | -172.4 | -4.6 | 0 | 0 | 110.4 | K335 V347 | K335-Q345 PolarHBondContact N-O 2.86Å; K335-Q345 PolarHBondContact O-N 3.04Å; Q345-V347 PolarHBondContact O-N 3Å |
| 346 | V | 86.3 | Confident | 80.9 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122 | 164.3 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | I332 L334 | I332-V346 HydrophobicContact CG2-CB 4.31Å; I332-V346 HydrophobicContact CG2-CG1 3.68Å; I332-V346 HydrophobicContact CG2-CG2 3.83Å; L334-V346 HydrophobicContact CD2-CG2 3.74Å |
| 347 | V | 86.7 | Confident | 80.6 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -26.1 | -180 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | I4 V333 K335 Q345 | I4-V347 HydrophobicContact CD1-CG1 4.25Å; I4-V347 HydrophobicContact CG1-CG1 4.5Å; V333-V347 PolarHBondContact O-N 2.83Å; K335-V347 HydrophobicContact CB-CG2 3.5Å; K335-V347 VanDerWaalsContact CB-CG2 3.5Å; K335-V347 HydrophobicContact CD-CG2 4.08Å; K335-V347 HydrophobicContact CG-CG2 4.46Å; Q345-V347 PolarHBondContact O-N 3Å |
| 348 | M | 87.8 | Confident | 80.8 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 149 | 179.6 | 157.6 | -176.5 | -72.7 | 0 | 0 | 108.9 | I4 Y6 V333 I350 | I4-M348 HydrophobicContact CB-CE 3.87Å; I4-M348 HydrophobicContact CG2-CE 3.75Å; I4-M348 HydrophobicContact CG2-SD 4.11Å; I4-M348 WeakPolarHBondContact O-CE 3.31Å; Y6-M348 HydrophobicContact CD1-CE 3.84Å; Y6-M348 HydrophobicContact CD1-CG 4.45Å; Y6-M348 HydrophobicContact CD1-SD 3.9Å; V333-M348 HydrophobicContact CB-CB 4.06Å; V333-M348 HydrophobicContact CG2-CB 4.06Å; V333-M348 HydrophobicContact CG2-CG 3.98Å; V333-M348 HydrophobicContact CG2-SD 3.9Å; V333-M348 PolarHBondContact N-O 2.91Å; M348-I350 HydrophobicContact CG-CG1 3.83Å; M348-I350 HydrophobicContact SD-CD1 3.85Å; M348-I350 HydrophobicContact SD-CG1 3.61Å |
| 349 | S | 89.2 | Confident | 81.4 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 151.1 | 154.5 | -141.9 | 0 | 0 | 0 | 0 | 109.6 | Y6 E330 | Y6-S349 WeakPolarHBondContact CE1-O 3.27Å; E330-S349 WeakPolarHBondContact CB-OG 3.27Å; E330-S349 VanDerWaalsContact CD-OG 3.31Å; E330-S349 VanDerWaalsContact OE2-CB 3.29Å; E330-S349 WeakPolarHBondContact OE2-CB 3.3Å; E330-S349 PolarHBondContact OE2-OG 2.8Å |
| 350 | I | 90.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 115.3 | 179 | -53.7 | 175.5 | 0 | 0 | 0 | 106.7 | Y6 E330 V331 V333 M348 L381 Y393 L395 | Y6-I350 HydrophobicContact CD1-CB 4.31Å; Y6-I350 HydrophobicContact CD1-CG1 3.75Å; Y6-I350 HydrophobicContact CD1-CG2 4.22Å; Y6-I350 HydrophobicContact CD2-CG2 3.93Å; Y6-I350 HydrophobicContact CE1-CB 4.23Å; Y6-I350 HydrophobicContact CE1-CG1 4.07Å; Y6-I350 HydrophobicContact CE1-CG2 4.2Å; Y6-I350 HydrophobicContact CE2-CG2 3.9Å; Y6-I350 HydrophobicContact CG-CG1 4.14Å; Y6-I350 HydrophobicContact CG-CG2 4.08Å; E330-I350 CarbonylContact C-O 3.58Å; E330-I350 WeakPolarHBondContact CA-O 3.23Å; V331-I350 HydrophobicContact CB-CB 4.22Å; V331-I350 PolarHBondContact N-O 3.13Å; V331-I350 PolarHBondContact O-N 2.58Å; V333-I350 HydrophobicContact CG2-CD1 4.43Å; M348-I350 HydrophobicContact CG-CG1 3.83Å; M348-I350 HydrophobicContact SD-CD1 3.85Å; M348-I350 HydrophobicContact SD-CG1 3.61Å; I350-L381 HydrophobicContact CD1-CD2 3.64Å; I350-Y393 HydrophobicContact CG2-CD1 3.53Å; I350-Y393 HydrophobicContact CG2-CE1 3.38Å; I350-Y393 HydrophobicContact CG2-CE2 4.43Å; I350-Y393 HydrophobicContact CG2-CG 4.12Å; I350-L395 HydrophobicContact CD1-CD2 3.76Å |
| 351 | E | 87.5 | Confident | 84.1 | Confident | 129 Ų | 129 | 46 Ų | 46 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133.7 | -179.1 | -67.8 | 166 | -147.4 | 0 | 0 | 110.6 | Y393 | E351-Y393 PolarHBondContact O-OH 2.93Å |
| 352 | L | 88 | Confident | 85.6 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 157.5 | 173.1 | -65.5 | 168.6 | 0 | 0 | 0 | 111 | G328 E329 V331 A354 A358 T383 L385 Y393 | G328-L352 WeakPolarHBondContact O-CD1 3.48Å; E329-L352 VanDerWaalsContact O-CB 3.28Å; E329-L352 WeakPolarHBondContact O-CB 3.41Å; E329-L352 PolarHBondContact O-N 2.8Å; V331-L352 HydrophobicContact CG2-CD1 3.91Å; V331-L352 HydrophobicContact CG2-CD2 3.78Å; V331-L352 HydrophobicContact CG2-CG 3.95Å; L352-A354 PolarHBondContact O-N 2.91Å; L352-A358 HydrophobicContact CD1-CB 3.75Å; L352-T383 HydrophobicContact CD2-CG2 4.09Å; L352-L385 HydrophobicContact CD2-CD2 4.23Å; L352-Y393 HydrophobicContact CD2-CE2 4.23Å |
| 353 | P | 84.8 | Confident | 86.5 | Confident | 15 Ų | 15 | 42 Ų | 42 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 130.5 | 175.4 | -21.5 | 35.6 | 0 | 0 | 0 | 111.7 | Q11 D355 G356 L385 C391 | Q11-P353 VanDerWaalsContact NE2-CG 3.33Å; P353-D355 WeakPolarHBondContact CB-OD1 3.34Å; P353-D355 PolarHBondContact O-N 2.88Å; P353-G356 PolarHBondContact O-N 2.93Å; P353-G356 VanDerWaalsContact O-O 3.11Å; P353-L385 HydrophobicContact CB-CD1 4.17Å; P353-L385 HydrophobicContact CG-CD1 3.81Å; P353-C391 HydrophobicContact CG-CB 3.99Å; P353-C391 VanDerWaalsContact CG-SG 3.57Å |
| 354 | A | 80.1 | Confident | 86.8 | Confident | 115 Ų | 115 | 37.1 Ų | 37.1 | 95% | 0.95 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -9.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L352 | L352-A354 PolarHBondContact O-N 2.91Š|
| 355 | D | 78 | Confident | 86.7 | Confident | 91 Ų | 91 | 37.3 Ų | 37.3 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4 | 173.1 | 59.6 | -60.7 | 0 | 0 | 0 | 114.3 | P353 N387 | P353-D355 WeakPolarHBondContact CB-OD1 3.34Å; P353-D355 PolarHBondContact O-N 2.88Å; D355-N387 VanDerWaalsContact C-ND2 3.3Å; D355-N387 PolarHBondContact O-ND2 3.42Å; D355-N387 PolarHBondContact OD2-ND2 3.22Å |
| 356 | G | 79.2 | Confident | 86.5 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | trans | -171.1 | 127.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | P353 | P353-G356 PolarHBondContact O-N 2.93Å; P353-G356 VanDerWaalsContact O-O 3.11Å | ||
| 357 | C | 83.1 | Confident | 85.8 | Confident | 29 Ų | 29 | 33.2 Ų | 33.2 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | trans | -72.8 | 156.6 | 171 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | C326 G328 L385 S386 | C326-C357 PolarHBondContact O-SG 3.35Å; G328-C357 WeakPolarHBondContact O-CA 3.25Å; G328-C357 WeakPolarHBondContact O-CB 3.46Å; C357-L385 CarbonylContact O-C 3.47Å; C357-L385 WeakPolarHBondContact O-CA 3.18Å; C357-S386 PolarHBondContact N-OG 3.04Å; C357-S386 PolarHBondContact O-N 3.26Å; C357-S386 PolarHBondContact SG-OG 3.22Å | ||
| 358 | A | 88.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 136.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T323 A325 C326 G328 L352 | T323-A358 HydrophobicContact CG2-CB 4Å; A325-A358 CarbonylContact C-O 3.56Å; A325-A358 VanDerWaalsContact CA-O 3.25Å; A325-A358 WeakPolarHBondContact CA-O 3.37Å; C326-A358 PolarHBondContact N-O 3.45Å; G328-A358 PolarHBondContact O-N 3.14Å; L352-A358 HydrophobicContact CD1-CB 3.75Å |
| 359 | M | 86.8 | Confident | 83.2 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -45 | 168 | -56.8 | -76.3 | 81.5 | 0 | 0 | 110.9 | F19 C326 Y384 | F19-M359 HydrophobicContact CD1-CG 4.36Å; F19-M359 HydrophobicContact CD1-SD 3.89Å; F19-M359 HydrophobicContact CD2-SD 3.98Å; F19-M359 HydrophobicContact CE1-CG 3.94Å; F19-M359 HydrophobicContact CE1-SD 3.99Å; F19-M359 HydrophobicContact CE2-SD 4.09Å; F19-M359 HydrophobicContact CG-SD 3.89Å; F19-M359 HydrophobicContact CZ-CG 4.08Å; F19-M359 HydrophobicContact CZ-SD 4.09Å; C326-M359 VanDerWaalsContact CA-CE 3.46Å; C326-M359 HydrophobicContact CB-CE 4.03Å; C326-M359 WeakPolarHBondContact SG-CE 3.17Å; M359-Y384 HydrophobicContact CB-CD1 4.09Å; M359-Y384 HydrophobicContact CG-CD1 4.15Å; M359-Y384 PolarHBondContact N-O 3.02Å |
| 360 | S | 90.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.8 | -176.1 | -173.6 | 0 | 0 | 0 | 0 | 110 | S24 L25 Y384 | S24-S360 WeakPolarHBondContact CA-OG 3.01Å; L25-S360 PolarHBondContact N-OG 3.43Å; S360-Y384 PolarHBondContact N-O 2.89Å; S360-Y384 PolarHBondContact O-N 3.24Å |
| 361 | M | 92.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 139.5 | -172.6 | 179.8 | -177.3 | 76.9 | 0 | 0 | 110.7 | C311 R313 I321 T323 V331 L381 L382 T383 | C311-M361 HydrophobicContact CB-CB 4Å; C311-M361 HydrophobicContact CB-CE 4.11Å; C311-M361 WeakPolarHBondContact O-CE 3.28Å; R313-M361 HydrophobicContact CB-CE 4.21Å; R313-M361 HydrophobicContact CG-CE 4.04Å; R313-M361 VanDerWaalsContact CZ-O 3.26Å; R313-M361 PolarHBondContact NE-O 3.39Å; R313-M361 PolarHBondContact NH2-O 2.9Å; R313-M361 VanDerWaalsContact NH2-O 3.15Å; I321-M361 HydrophobicContact CB-CE 4Å; I321-M361 HydrophobicContact CG2-CE 3.7Å; I321-M361 HydrophobicContact CG2-SD 3.77Å; T323-M361 HydrophobicContact CG2-CB 4.26Å; T323-M361 HydrophobicContact CG2-CE 4.27Å; T323-M361 HydrophobicContact CG2-SD 3.77Å; V331-M361 HydrophobicContact CG1-SD 3.51Å; V331-M361 VanDerWaalsContact CG1-SD 3.51Å; V331-M361 HydrophobicContact CG2-SD 4.33Å; M361-L381 HydrophobicContact CG-CD1 3.46Å; M361-L381 VanDerWaalsContact CG-CD1 3.46Å; M361-L381 HydrophobicContact SD-CD1 3.7Å; M361-L382 WeakPolarHBondContact CA-O 3.3Å; M361-T383 HydrophobicContact CB-CG2 4.44Å; M361-T383 HydrophobicContact CG-CG2 4.04Å |
| 362 | D | 93.5 | Very high | 77.2 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.8 | 172.3 | -152.7 | 26.2 | 0 | 0 | 0 | 112.8 | I26 S27 I28 R313 L382 | I26-D362 HydrophobicContact CG2-CB 4.33Å; S27-D362 WeakPolarHBondContact CA-OD2 3.37Å; I28-D362 HydrophobicContact CD1-CB 3.97Å; I28-D362 HydrophobicContact CG1-CB 4.16Å; I28-D362 PolarHBondContact N-OD2 2.92Å; R313-D362 WeakPolarHBondContact CD-OD1 3.45Å; R313-D362 IonicContact CZ-OD1 2.66Å; R313-D362 IonicContact NE-OD1 3.2Å; R313-D362 PolarHBondContact NE-OD1 2.85Å; R313-D362 IonicContact NH2-OD1 3.42Å; D362-L382 PolarHBondContact N-O 2.83Å; D362-L382 PolarHBondContact O-N 2.91Å |
| 363 | V | 91.3 | Very high | 75.4 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 17% | 0.17 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.4 | -174.8 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | R313 L315 I321 I379 Y380 L381 | R313-V363 HydrophobicContact CB-CG2 3.93Å; R313-V363 HydrophobicContact CG-CG2 4.39Å; L315-V363 HydrophobicContact CD1-CG1 4.08Å; I321-V363 HydrophobicContact CD1-CG2 3.87Å; V363-I379 HydrophobicContact CG1-CG2 4.28Å; V363-Y380 WeakPolarHBondContact CA-O 3.3Å; V363-L381 HydrophobicContact CG2-CD1 3.94Å |
| 364 | G | 86.9 | Confident | 74 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 163.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I379 Y380 | G364-I379 WeakPolarHBondContact O-CA 3.34Å; G364-Y380 PolarHBondContact N-O 2.87Å; G364-Y380 WeakPolarHBondContact O-CD1 3.5Å; G364-Y380 PolarHBondContact O-N 3.42Å |
| 365 | V | 84.2 | Confident | 72.7 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 111.4 | 173 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | Q367 I379 I404 | V365-Q367 HydrophobicContact CG1-CG 4.37Å; V365-I379 HydrophobicContact CG2-CG1 4.31Å; V365-I379 HydrophobicContact CG2-CG2 4.39Å; V365-I404 HydrophobicContact CG1-CG1 4.46Å |
| 366 | L | 81.4 | Confident | 71.8 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 107.9 | 172.3 | -179.8 | 68.8 | 0 | 0 | 0 | 108.6 | T47 K48 L51 L378 Y380 | T47-L366 HydrophobicContact CG2-CD2 4.1Å; K48-L366 HydrophobicContact CG-CD1 4.33Å; K48-L366 HydrophobicContact CG-CD2 4.23Å; L51-L366 HydrophobicContact CD1-CD2 3.56Å; L366-L378 HydrophobicContact CB-CB 4.44Å; L366-L378 PolarHBondContact N-O 2.7Å; L366-L378 PolarHBondContact O-N 2.95Å; L366-Y380 HydrophobicContact CB-CD1 4.33Å; L366-Y380 HydrophobicContact CB-CE1 3.89Å |
| 367 | Q | 72.8 | Confident | 71.6 | Confident | 70 Ų | 70 | 48.6 Ų | 48.6 | 33% | 0.327 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 129.8 | 171.7 | -59.9 | -178.8 | -7.4 | 0 | 0 | 109.3 | V365 T369 L411 | V365-Q367 HydrophobicContact CG1-CG 4.37Å; Q367-T369 PolarHBondContact O-N 2.82Å; Q367-L411 HydrophobicContact CB-CD1 3.82Å; Q367-L411 HydrophobicContact CG-CD1 4.23Å |
| 368 | N | 63.7 | Low | 71.5 | Confident | 77 Ų | 77 | 50.4 Ų | 50.4 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | trans | -72.2 | 120.5 | 172.1 | -171.8 | -22.8 | 0 | 0 | 0 | 109.3 | N370 N376 | N368-N370 PolarHBondContact O-N 2.83Å; N368-N370 PolarHBondContact OD1-N 3.35Å; N368-N376 PolarHBondContact N-O 2.97Å | ||
| 369 | T | 55.6 | Low | 71.5 | Confident | 96 Ų | 96 | 50.4 Ų | 50.4 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -12.4 | -175.1 | 41.3 | 0 | 0 | 0 | 0 | 115 | Q367 | Q367-T369 PolarHBondContact O-N 2.82Š|
| 370 | N | 50.9 | Low | 71.6 | Confident | 123 Ų | 123 | 50.5 Ų | 50.5 | 66% | 0.658 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -8.7 | -165.6 | -58.6 | 2.7 | 0 | 0 | 0 | 113.6 | N368 | N368-N370 PolarHBondContact O-N 2.83Å; N368-N370 PolarHBondContact OD1-N 3.35Å |
| 371 | N | 44.2 | Very low | 71.7 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | trans | -146.5 | 133.3 | 173.8 | -81.6 | -41.1 | 0 | 0 | 0 | 111.8 | S373 N376 | N371-S373 PolarHBondContact O-N 2.96Å; N371-S373 VanDerWaalsContact O-N 3.13Å; N371-N376 PolarHBondContact ND2-ND2 2.46Å | ||
| 372 | E | 46.4 | Very low | 71.8 | Confident | 162 Ų | 162 | 50.6 Ų | 50.6 | 76% | 0.757 | 29% | 0.29 | S | S | * | . | trans | -72.8 | 1.9 | 176.4 | -61.8 | 164.8 | 96.6 | 0 | 0 | 113.4 | R656 | E372-R656 IonicContact OE2-CZ 2.81Å; E372-R656 IonicContact OE2-NH1 3.28Å; E372-R656 PolarHBondContact OE2-NH1 3.1Å; E372-R656 VanDerWaalsContact OE2-NH1 3.08Å; E372-R656 IonicContact OE2-NH2 2.75Å; E372-R656 PolarHBondContact OE2-NH2 2.79Å | ||
| 373 | S | 50.2 | Low | 71.7 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | trans | -81.7 | 117.9 | -178.8 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | N371 G375 N376 | N371-S373 PolarHBondContact O-N 2.96Å; N371-S373 VanDerWaalsContact O-N 3.13Å; S373-G375 PolarHBondContact O-N 2.83Å; S373-N376 PolarHBondContact O-N 3.12Å; S373-N376 PolarHBondContact OG-OD1 2.89Å | ||
| 374 | V | 54.1 | Low | 71.8 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 47% | 0.473 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -46.3 | -35.4 | -179.9 | 177.2 | 0 | 0 | 0 | 0 | 113.8 | N376 S377 I404 | V374-N376 PolarHBondContact O-N 3.31Å; V374-N376 VanDerWaalsContact O-N 3.15Å; V374-S377 VanDerWaalsContact O-CB 3.3Å; V374-S377 WeakPolarHBondContact O-CB 3.22Å; V374-S377 PolarHBondContact O-N 3.28Å; V374-S377 VanDerWaalsContact O-N 3.16Å; V374-S377 PolarHBondContact O-OG 3.07Å; V374-I404 HydrophobicContact CG1-CD1 3.56Å |
| 375 | G | 52.4 | Low | 71.9 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -67.8 | -2.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | S373 Q400 | S373-G375 PolarHBondContact O-N 2.83Å; G375-Q400 PolarHBondContact O-OE1 2.94Å |
| 376 | N | 60.7 | Low | 71.9 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -98.8 | 20.3 | 171 | -74.7 | 42.6 | 0 | 0 | 0 | 112.1 | N368 N371 S373 V374 | N368-N376 PolarHBondContact N-O 2.97Å; N371-N376 PolarHBondContact ND2-ND2 2.46Å; S373-N376 PolarHBondContact O-N 3.12Å; S373-N376 PolarHBondContact OG-OD1 2.89Å; V374-N376 PolarHBondContact O-N 3.31Å; V374-N376 VanDerWaalsContact O-N 3.15Å |
| 377 | S | 74.9 | Confident | 72 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.4 | 176.3 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | V374 Q400 | V374-S377 VanDerWaalsContact O-CB 3.3Å; V374-S377 WeakPolarHBondContact O-CB 3.22Å; V374-S377 PolarHBondContact O-N 3.28Å; V374-S377 VanDerWaalsContact O-N 3.16Å; V374-S377 PolarHBondContact O-OG 3.07Å; S377-Q400 PolarHBondContact O-NE2 2.87Å; S377-Q400 PolarHBondContact O-OE1 3.12Å |
| 378 | L | 80.9 | Confident | 72.6 | Confident | 67 Ų | 67 | 46.4 Ų | 46.4 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 112.1 | 171.6 | -64.6 | 178.7 | 0 | 0 | 0 | 108.7 | L51 L366 L394 | L51-L378 HydrophobicContact CD1-CD1 4.31Å; L366-L378 HydrophobicContact CB-CB 4.44Å; L366-L378 PolarHBondContact N-O 2.7Å; L366-L378 PolarHBondContact O-N 2.95Å; L378-L394 HydrophobicContact CB-CD1 3.86Å; L378-L394 HydrophobicContact CD2-CD1 4.03Å; L378-L394 HydrophobicContact CD2-CD2 4.45Å; L378-L394 HydrophobicContact CG-CD1 4.39Å |
| 379 | I | 87.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.8 | 174.4 | -49 | 169.6 | 0 | 0 | 0 | 107.6 | L315 V363 G364 V365 L394 L395 L403 I404 | L315-I379 HydrophobicContact CD1-CG2 3.67Å; V363-I379 HydrophobicContact CG1-CG2 4.28Å; G364-I379 WeakPolarHBondContact O-CA 3.34Å; V365-I379 HydrophobicContact CG2-CG1 4.31Å; V365-I379 HydrophobicContact CG2-CG2 4.39Å; I379-L394 WeakPolarHBondContact O-CD1 3.36Å; I379-L395 HydrophobicContact CB-CB 4.23Å; I379-L395 HydrophobicContact CG2-CB 4.24Å; I379-L395 HydrophobicContact CG2-CD1 4.42Å; I379-L395 PolarHBondContact O-N 3.07Å; I379-L403 HydrophobicContact CD1-CB 3.5Å; I379-L403 VanDerWaalsContact CD1-CB 3.5Å; I379-L403 HydrophobicContact CD1-CD1 4.31Å; I379-L403 WeakPolarHBondContact CD1-O 3.29Å; I379-I404 HydrophobicContact CD1-CG1 3.96Å; I379-I404 HydrophobicContact CG1-CG1 4.2Å |
| 380 | Y | 89.2 | Confident | 75.4 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145.5 | -178.1 | 63.8 | -76 | 0 | 0 | 0 | 111.9 | I28 T47 V363 G364 L366 L382 Y393 | I28-Y380 HydrophobicContact CD1-CD2 4.2Å; I28-Y380 HydrophobicContact CD1-CE2 3.88Å; I28-Y380 HydrophobicContact CG1-CE2 4.21Å; I28-Y380 HydrophobicContact CG2-CE2 3.94Å; I28-Y380 WeakPolarHBondContact CG2-OH 3.4Å; T47-Y380 HydrophobicContact CG2-CD2 4.43Å; T47-Y380 HydrophobicContact CG2-CE1 3.92Å; T47-Y380 HydrophobicContact CG2-CE2 3.79Å; T47-Y380 VanDerWaalsContact CG2-CZ 3.49Å; T47-Y380 WeakPolarHBondContact CG2-OH 3.15Å; T47-Y380 PolarHBondContact OG1-OH 3.06Å; V363-Y380 WeakPolarHBondContact CA-O 3.3Å; G364-Y380 PolarHBondContact N-O 2.87Å; G364-Y380 WeakPolarHBondContact O-CD1 3.5Å; G364-Y380 PolarHBondContact O-N 3.42Å; L366-Y380 HydrophobicContact CB-CD1 4.33Å; L366-Y380 HydrophobicContact CB-CE1 3.89Å; Y380-L382 HydrophobicContact CD2-CD1 4.44Å; Y380-L382 HydrophobicContact CD2-CD2 3.95Å; Y380-L382 HydrophobicContact CD2-CG 3.97Å; Y380-L382 HydrophobicContact CE2-CD1 4.2Å; Y380-L382 HydrophobicContact CE2-CD2 4.44Å; Y380-L382 HydrophobicContact CE2-CG 4.22Å; Y380-Y393 CarbonylContact C-O 3.56Å; Y380-Y393 WeakPolarHBondContact CA-O 3.48Å |
| 381 | L | 93.1 | Very high | 77.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.4 | -179.3 | 163.5 | 68.8 | 0 | 0 | 0 | 106.7 | I321 V331 I350 M361 V363 T383 P392 Y393 L395 | I321-L381 HydrophobicContact CD1-CD1 4.42Å; V331-L381 HydrophobicContact CG1-CD2 4.15Å; I350-L381 HydrophobicContact CD1-CD2 3.64Å; M361-L381 HydrophobicContact CG-CD1 3.46Å; M361-L381 VanDerWaalsContact CG-CD1 3.46Å; M361-L381 HydrophobicContact SD-CD1 3.7Å; V363-L381 HydrophobicContact CG2-CD1 3.94Å; L381-T383 HydrophobicContact CD1-CG2 4.31Å; L381-T383 HydrophobicContact CG-CG2 4.32Å; L381-P392 WeakPolarHBondContact O-CA 3.34Å; L381-Y393 HydrophobicContact CD2-CD2 4.22Å; L381-Y393 HydrophobicContact CD2-CG 4.47Å; L381-Y393 HydrophobicContact CG-CD2 4.4Å; L381-Y393 PolarHBondContact N-O 3.42Å; L381-Y393 PolarHBondContact O-N 2.44Å; L381-L395 HydrophobicContact CB-CD1 4.08Å; L381-L395 HydrophobicContact CB-CG 4.3Å |
| 382 | L | 93.6 | Very high | 79.5 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.7 | 173.3 | -55.4 | -177.3 | 0 | 0 | 0 | 109.1 | I26 I28 F34 M361 D362 Y380 P392 | I26-L382 HydrophobicContact CD1-CB 3.5Å; I26-L382 VanDerWaalsContact CD1-CB 3.5Å; I26-L382 HydrophobicContact CD1-CD1 4.02Å; I26-L382 HydrophobicContact CD1-CG 4.41Å; I26-L382 HydrophobicContact CG1-CB 4.32Å; I26-L382 HydrophobicContact CG1-CD1 4.4Å; I28-L382 HydrophobicContact CD1-CB 4.27Å; I28-L382 HydrophobicContact CD1-CD1 3.84Å; I28-L382 HydrophobicContact CD1-CG 3.79Å; I28-L382 HydrophobicContact CG1-CD1 3.72Å; I28-L382 HydrophobicContact CG1-CG 4.25Å; F34-L382 HydrophobicContact CB-CD1 3.72Å; F34-L382 HydrophobicContact CD1-CD1 3.89Å; F34-L382 HydrophobicContact CD2-CD1 3.72Å; F34-L382 HydrophobicContact CE1-CD1 4.43Å; F34-L382 HydrophobicContact CE2-CD1 4.29Å; F34-L382 HydrophobicContact CG-CD1 3.49Å; F34-L382 VanDerWaalsContact CG-CD1 3.49Å; M361-L382 WeakPolarHBondContact CA-O 3.3Å; D362-L382 PolarHBondContact N-O 2.83Å; D362-L382 PolarHBondContact O-N 2.91Å; Y380-L382 HydrophobicContact CD2-CD1 4.44Å; Y380-L382 HydrophobicContact CD2-CD2 3.95Å; Y380-L382 HydrophobicContact CD2-CG 3.97Å; Y380-L382 HydrophobicContact CE2-CD1 4.2Å; Y380-L382 HydrophobicContact CE2-CD2 4.44Å; Y380-L382 HydrophobicContact CE2-CG 4.22Å; L382-P392 HydrophobicContact CD2-CB 3.58Å |
| 383 | T | 92.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.1 | 172.6 | 59.5 | 0 | 0 | 0 | 0 | 109.3 | V331 L352 M361 L381 I390 C391 | V331-T383 HydrophobicContact CG2-CG2 4.15Å; L352-T383 HydrophobicContact CD2-CG2 4.09Å; M361-T383 HydrophobicContact CB-CG2 4.44Å; M361-T383 HydrophobicContact CG-CG2 4.04Å; L381-T383 HydrophobicContact CD1-CG2 4.31Å; L381-T383 HydrophobicContact CG-CG2 4.32Å; T383-I390 CarbonylContact O-C 3.57Å; T383-I390 VanDerWaalsContact O-CA 3.31Å; T383-I390 WeakPolarHBondContact O-CA 3.31Å; T383-C391 PolarHBondContact N-O 2.9Å; T383-C391 PolarHBondContact O-N 2.34Å; T383-C391 WeakPolarHBondContact OG1-CB 3.31Å; T383-C391 PolarHBondContact OG1-O 3.19Å |
| 384 | Y | 91.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.7 | 171.7 | -170.5 | -72.2 | 0 | 0 | 0 | 107.7 | C14 G15 L17 F19 L25 C36 V37 M359 S360 I390 | C14-Y384 HydrophobicContact CB-CE2 4.4Å; G15-Y384 PolarHBondContact O-OH 2.99Å; L17-Y384 WeakPolarHBondContact CD1-OH 3.36Å; F19-Y384 AromaticContact CE1-CE1 3.86Å; F19-Y384 HydrophobicContact CE1-CE1 3.86Å; F19-Y384 AromaticContact CZ-CE1 3.93Å; F19-Y384 HydrophobicContact CZ-CE1 3.93Å; L25-Y384 HydrophobicContact CB-CD2 4.33Å; L25-Y384 HydrophobicContact CB-CG 4.33Å; L25-Y384 HydrophobicContact CD1-CD1 4.34Å; L25-Y384 HydrophobicContact CD1-CE1 4.12Å; C36-Y384 HydrophobicContact CB-CD2 4.41Å; V37-Y384 VanDerWaalsContact O-CE2 3.23Å; V37-Y384 WeakPolarHBondContact O-CE2 3.37Å; V37-Y384 PolarHBondContact O-OH 3.25Å; V37-Y384 VanDerWaalsContact O-OH 3.05Å; M359-Y384 HydrophobicContact CB-CD1 4.09Å; M359-Y384 HydrophobicContact CG-CD1 4.15Å; M359-Y384 PolarHBondContact N-O 3.02Å; S360-Y384 PolarHBondContact N-O 2.89Å; S360-Y384 PolarHBondContact O-N 3.24Å; Y384-I390 HydrophobicContact CD2-CD1 4.13Å; Y384-I390 HydrophobicContact CD2-CG1 3.85Å; Y384-I390 HydrophobicContact CE2-CG1 4.43Å |
| 385 | L | 89.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 159.2 | -172.3 | -52.6 | -174.5 | 0 | 0 | 0 | 112.6 | L352 P353 C357 N387 G388 N389 C391 | L352-L385 HydrophobicContact CD2-CD2 4.23Å; P353-L385 HydrophobicContact CB-CD1 4.17Å; P353-L385 HydrophobicContact CG-CD1 3.81Å; C357-L385 CarbonylContact O-C 3.47Å; C357-L385 WeakPolarHBondContact O-CA 3.18Å; L385-N387 WeakPolarHBondContact CB-OD1 3.18Å; L385-N387 PolarHBondContact O-N 2.88Å; L385-G388 PolarHBondContact O-N 3.19Å; L385-N389 WeakPolarHBondContact CB-O 3.41Å; L385-N389 PolarHBondContact N-O 3.22Å; L385-C391 HydrophobicContact CD1-CB 3.92Å; L385-C391 HydrophobicContact CD2-CB 4.36Å; L385-C391 HydrophobicContact CG-CB 4.24Å |
| 386 | S | 85.2 | Confident | 86.7 | Confident | 44 Ų | 44 | 16.2 Ų | 16.2 | 31% | 0.308 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -6.5 | -179 | 58.9 | 0 | 0 | 0 | 0 | 115.5 | F19 C357 | F19-S386 WeakPolarHBondContact CE2-O 3.38Å; C357-S386 PolarHBondContact N-OG 3.04Å; C357-S386 PolarHBondContact O-N 3.26Å; C357-S386 PolarHBondContact SG-OG 3.22Å |
| 387 | N | 83.4 | Confident | 87.4 | Confident | 36 Ų | 36 | 13.5 Ų | 13.5 | 19% | 0.193 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 1.9 | 174.4 | 63.1 | 13.5 | 0 | 0 | 0 | 113.6 | D355 L385 N389 | D355-N387 VanDerWaalsContact C-ND2 3.3Å; D355-N387 PolarHBondContact O-ND2 3.42Å; D355-N387 PolarHBondContact OD2-ND2 3.22Å; L385-N387 WeakPolarHBondContact CB-OD1 3.18Å; L385-N387 PolarHBondContact O-N 2.88Å; N387-N389 VanDerWaalsContact C-N 3.33Å; N387-N389 WeakPolarHBondContact OD1-CB 3.5Å; N387-N389 PolarHBondContact OD1-N 3.29Å |
| 388 | G | 84.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 81.8 | 5.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C14 G15 L385 | C14-G388 PolarHBondContact N-O 2.78Å; G15-G388 VanDerWaalsContact O-CA 3.28Å; G15-G388 WeakPolarHBondContact O-CA 3.15Å; L385-G388 PolarHBondContact O-N 3.19Å |
| 389 | N | 88.1 | Confident | 86.5 | Confident | 25 Ų | 25 | 19.8 Ų | 19.8 | 13% | 0.134 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 152.7 | 169.7 | -60.7 | -17.5 | 0 | 0 | 0 | 110.9 | Q11 F12 H13 L385 N387 | Q11-N389 PolarHBondContact OE1-ND2 2.83Å; F12-N389 CarbonylContact O-C 3.56Å; F12-N389 WeakPolarHBondContact O-CA 3.21Å; H13-N389 PolarHBondContact ND1-OD1 2.67Å; L385-N389 WeakPolarHBondContact CB-O 3.41Å; L385-N389 PolarHBondContact N-O 3.22Å; N387-N389 VanDerWaalsContact C-N 3.33Å; N387-N389 WeakPolarHBondContact OD1-CB 3.5Å; N387-N389 PolarHBondContact OD1-N 3.29Å |
| 390 | I | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.7 | 165.6 | -64.7 | 177.3 | 0 | 0 | 0 | 108 | Q11 F12 C14 I26 C36 T383 Y384 P392 | Q11-I390 VanDerWaalsContact CA-O 3.25Å; Q11-I390 WeakPolarHBondContact CA-O 3.49Å; F12-I390 HydrophobicContact CD1-CB 4.37Å; F12-I390 HydrophobicContact CE1-CB 3.89Å; F12-I390 HydrophobicContact CE1-CG2 3.78Å; F12-I390 HydrophobicContact CE2-CB 4.17Å; F12-I390 HydrophobicContact CE2-CD1 3.8Å; F12-I390 HydrophobicContact CE2-CG1 4.42Å; F12-I390 HydrophobicContact CZ-CB 3.77Å; F12-I390 HydrophobicContact CZ-CD1 3.8Å; F12-I390 HydrophobicContact CZ-CG1 4.33Å; F12-I390 HydrophobicContact CZ-CG2 3.76Å; F12-I390 PolarHBondContact N-O 2.84Å; F12-I390 PolarHBondContact O-N 2.72Å; C14-I390 HydrophobicContact CB-CD1 4.44Å; C14-I390 VanDerWaalsContact SG-CD1 3.51Å; I26-I390 HydrophobicContact CD1-CD1 3.84Å; I26-I390 HydrophobicContact CD1-CG1 4.24Å; I26-I390 HydrophobicContact CD1-CG2 3.95Å; C36-I390 HydrophobicContact CB-CD1 3.44Å; C36-I390 VanDerWaalsContact CB-CD1 3.44Å; C36-I390 VanDerWaalsContact SG-CD1 3.51Å; T383-I390 CarbonylContact O-C 3.57Å; T383-I390 VanDerWaalsContact O-CA 3.31Å; T383-I390 WeakPolarHBondContact O-CA 3.31Å; Y384-I390 HydrophobicContact CD2-CD1 4.13Å; Y384-I390 HydrophobicContact CD2-CG1 3.85Å; Y384-I390 HydrophobicContact CE2-CG1 4.43Å; I390-P392 VanDerWaalsContact O-CD 3.27Å; I390-P392 WeakPolarHBondContact O-CD 3.48Å |
| 391 | C | 90 | Very high | 84.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 104.6 | 172 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | Q8 Q11 P353 T383 L385 Y393 | Q8-C391 PolarHBondContact NE2-SG 2.09Å; Q11-C391 HydrophobicContact CG-CB 4.29Å; P353-C391 HydrophobicContact CG-CB 3.99Å; P353-C391 VanDerWaalsContact CG-SG 3.57Å; T383-C391 PolarHBondContact N-O 2.9Å; T383-C391 PolarHBondContact O-N 2.34Å; T383-C391 WeakPolarHBondContact OG1-CB 3.31Å; T383-C391 PolarHBondContact OG1-O 3.19Å; L385-C391 HydrophobicContact CD1-CB 3.92Å; L385-C391 HydrophobicContact CD2-CB 4.36Å; L385-C391 HydrophobicContact CG-CB 4.24Å; C391-Y393 HydrophobicContact CB-CE2 4.08Å; C391-Y393 WeakPolarHBondContact SG-CE2 3.1Å; C391-Y393 PolarHBondContact SG-OH 2.8Å |
| 392 | P | 92 | Very high | 82.8 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 142.9 | 177.2 | 27.1 | -25.1 | 0 | 0 | 0 | 113.2 | L9 H10 F12 Y50 L381 L382 I390 | L9-P392 HydrophobicContact CB-CB 4.18Å; L9-P392 HydrophobicContact CB-CG 3.88Å; L9-P392 WeakPolarHBondContact CB-O 3.4Å; L9-P392 HydrophobicContact CD1-CB 4.43Å; L9-P392 PolarHBondContact N-O 3.38Å; H10-P392 WeakPolarHBondContact O-CG 3.37Å; F12-P392 HydrophobicContact CE1-CG 4.36Å; Y50-P392 HydrophobicContact CE1-CB 4.3Å; Y50-P392 HydrophobicContact CE1-CG 4.09Å; Y50-P392 HydrophobicContact CE2-CG 4.49Å; Y50-P392 WeakPolarHBondContact OH-CG 3.24Å; L381-P392 WeakPolarHBondContact O-CA 3.34Å; L382-P392 HydrophobicContact CD2-CB 3.58Å; I390-P392 VanDerWaalsContact O-CD 3.27Å; I390-P392 WeakPolarHBondContact O-CD 3.48Å |
| 393 | Y | 92.4 | Very high | 81.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.8 | 176.8 | -57.9 | -101.1 | 0 | 0 | 0 | 110.5 | Y6 K7 Q8 I350 E351 L352 Y380 L381 C391 | Y6-Y393 AromaticContact CD2-CD1 3.87Å; Y6-Y393 HydrophobicContact CD2-CD1 3.87Å; Y6-Y393 HydrophobicContact CD2-CE1 4.35Å; Y6-Y393 HydrophobicContact CE2-CD1 4.27Å; Y6-Y393 HydrophobicContact CE2-CE1 4.29Å; K7-Y393 WeakPolarHBondContact O-CA 3.15Å; Q8-Y393 HydrophobicContact CB-CD1 4.13Å; Q8-Y393 HydrophobicContact CB-CE1 4.14Å; Q8-Y393 HydrophobicContact CG-CD1 4.21Å; Q8-Y393 HydrophobicContact CG-CE1 3.92Å; I350-Y393 HydrophobicContact CG2-CD1 3.53Å; I350-Y393 HydrophobicContact CG2-CE1 3.38Å; I350-Y393 HydrophobicContact CG2-CE2 4.43Å; I350-Y393 HydrophobicContact CG2-CG 4.12Å; E351-Y393 PolarHBondContact O-OH 2.93Å; L352-Y393 HydrophobicContact CD2-CE2 4.23Å; Y380-Y393 CarbonylContact C-O 3.56Å; Y380-Y393 WeakPolarHBondContact CA-O 3.48Å; L381-Y393 HydrophobicContact CD2-CD2 4.22Å; L381-Y393 HydrophobicContact CD2-CG 4.47Å; L381-Y393 HydrophobicContact CG-CD2 4.4Å; L381-Y393 PolarHBondContact N-O 3.42Å; L381-Y393 PolarHBondContact O-N 2.44Å; C391-Y393 HydrophobicContact CB-CE2 4.08Å; C391-Y393 WeakPolarHBondContact SG-CE2 3.1Å; C391-Y393 PolarHBondContact SG-OH 2.8Å |
| 394 | L | 90.1 | Very high | 80.2 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 12% | 0.115 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.5 | 167.7 | -175.5 | 76.1 | 0 | 0 | 0 | 109.3 | Y6 K7 L9 L378 I379 | Y6-L394 CarbonylContact C-O 3.53Å; Y6-L394 VanDerWaalsContact CA-O 3.28Å; Y6-L394 WeakPolarHBondContact CA-O 2.95Å; K7-L394 HydrophobicContact CB-CB 4.41Å; K7-L394 PolarHBondContact N-O 3.2Å; K7-L394 PolarHBondContact O-N 2.96Å; L9-L394 HydrophobicContact CD1-CB 4.45Å; L378-L394 HydrophobicContact CB-CD1 3.86Å; L378-L394 HydrophobicContact CD2-CD1 4.03Å; L378-L394 HydrophobicContact CD2-CD2 4.45Å; L378-L394 HydrophobicContact CG-CD1 4.39Å; I379-L394 WeakPolarHBondContact O-CD1 3.36Å |
| 395 | L | 88.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.6 | 179.3 | -57.3 | -179.1 | 0 | 0 | 0 | 110.6 | L315 I321 I350 I379 L381 | L315-L395 HydrophobicContact CD1-CD1 3.67Å; L315-L395 HydrophobicContact CD2-CD1 4.29Å; I321-L395 HydrophobicContact CD1-CD1 3.84Å; I350-L395 HydrophobicContact CD1-CD2 3.76Å; I379-L395 HydrophobicContact CB-CB 4.23Å; I379-L395 HydrophobicContact CG2-CB 4.24Å; I379-L395 HydrophobicContact CG2-CD1 4.42Å; I379-L395 PolarHBondContact O-N 3.07Å; L381-L395 HydrophobicContact CB-CD1 4.08Å; L381-L395 HydrophobicContact CB-CG 4.3Å |
| 396 | N | 82.4 | Confident | 77 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 154.4 | 177.4 | -73.3 | -37.9 | 0 | 0 | 0 | 110.9 | I4 V5 | I4-N396 CarbonylContact C-O 3.6Å; I4-N396 WeakPolarHBondContact CA-O 3.45Å; I4-N396 WeakPolarHBondContact CG2-O 3.46Å; V5-N396 PolarHBondContact N-O 3.15Å; V5-N396 PolarHBondContact O-N 3.34Å |
| 397 | S | 75.9 | Confident | 75.8 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 144.2 | 173.5 | 166.9 | 0 | 0 | 0 | 0 | 108.9 | D399 Q400 | S397-D399 PolarHBondContact O-N 2.88Å; S397-D399 VanDerWaalsContact OG-C 3.32Å; S397-D399 PolarHBondContact OG-N 2.79Å; S397-D399 PolarHBondContact OG-O 2.58Å; S397-Q400 PolarHBondContact O-N 3.23Å |
| 398 | N | 67.6 | Low | 74.8 | Confident | 134 Ų | 134 | 44.7 Ų | 44.7 | 72% | 0.717 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.4 | 171.8 | -63.2 | -31.4 | 0 | 0 | 0 | 111.6 | ||
| 399 | D | 68.6 | Low | 74 | Confident | 67 Ų | 67 | 46.4 Ų | 46.4 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 69.3 | 169.2 | -60.8 | -50.8 | 0 | 0 | 0 | 110.4 | S2 S397 S401 N402 | S2-D399 WeakPolarHBondContact CB-OD2 3.37Å; S397-D399 PolarHBondContact O-N 2.88Å; S397-D399 VanDerWaalsContact OG-C 3.32Å; S397-D399 PolarHBondContact OG-N 2.79Å; S397-D399 PolarHBondContact OG-O 2.58Å; D399-S401 PolarHBondContact O-N 2.98Å; D399-S401 VanDerWaalsContact O-N 3.16Å; D399-N402 HydrophobicContact CB-CB 4.01Å; D399-N402 VanDerWaalsContact CB-ND2 3.29Å; D399-N402 WeakPolarHBondContact CB-ND2 3.44Å; D399-N402 WeakPolarHBondContact O-CB 3.37Å; D399-N402 PolarHBondContact O-N 2.95Å |
| 400 | Q | 67.3 | Low | 72.9 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -53.3 | -33.8 | 174.1 | -82.8 | -160.5 | -16 | 0 | 0 | 112.6 | G375 S377 S397 N402 L403 I404 | G375-Q400 PolarHBondContact O-OE1 2.94Å; S377-Q400 PolarHBondContact O-NE2 2.87Å; S377-Q400 PolarHBondContact O-OE1 3.12Å; S397-Q400 PolarHBondContact O-N 3.23Å; Q400-N402 PolarHBondContact O-N 3.02Å; Q400-L403 CarbonylContact O-C 3.39Å; Q400-L403 WeakPolarHBondContact O-CA 3.44Å; Q400-L403 PolarHBondContact O-N 3.43Å; Q400-I404 HydrophobicContact CB-CD1 4.1Å; Q400-I404 WeakPolarHBondContact O-CG1 3.48Å; Q400-I404 PolarHBondContact O-N 3.3Å; Q400-I404 VanDerWaalsContact O-N 3.12Å |
| 401 | S | 60.1 | Low | 72.1 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -59.3 | -24.4 | 176 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | D399 | D399-S401 PolarHBondContact O-N 2.98Å; D399-S401 VanDerWaalsContact O-N 3.16Å |
| 402 | N | 64.4 | Low | 71.4 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -85.1 | -9.3 | 174.1 | -72.3 | -33 | 0 | 0 | 0 | 113.2 | D399 Q400 | D399-N402 HydrophobicContact CB-CB 4.01Å; D399-N402 VanDerWaalsContact CB-ND2 3.29Å; D399-N402 WeakPolarHBondContact CB-ND2 3.44Å; D399-N402 WeakPolarHBondContact O-CB 3.37Å; D399-N402 PolarHBondContact O-N 2.95Å; Q400-N402 PolarHBondContact O-N 3.02Å |
| 403 | L | 64.2 | Low | 70.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -114.1 | 8 | 176.7 | -56.9 | -168.5 | 0 | 0 | 0 | 113.2 | I4 L315 H319 I379 Q400 | I4-L403 HydrophobicContact CD1-CD1 4.14Å; I4-L403 HydrophobicContact CD1-CD2 3.91Å; I4-L403 HydrophobicContact CG1-CD1 4.16Å; I4-L403 HydrophobicContact CG2-CD1 4.04Å; L315-L403 HydrophobicContact CD2-CD1 4.1Å; L315-L403 HydrophobicContact CD2-CD2 3.95Å; L315-L403 HydrophobicContact CG-CB 4.33Å; L315-L403 HydrophobicContact CG-CD1 4.45Å; L315-L403 HydrophobicContact CG-CD2 4.11Å; L315-L403 CarbonylContact O-C 3.56Å; H319-L403 HydrophobicContact CB-CD2 4.36Å; H319-L403 VanDerWaalsContact ND1-CD2 3.33Å; H319-L403 WeakPolarHBondContact ND1-CD2 3.44Å; I379-L403 HydrophobicContact CD1-CB 3.5Å; I379-L403 VanDerWaalsContact CD1-CB 3.5Å; I379-L403 HydrophobicContact CD1-CD1 4.31Å; I379-L403 WeakPolarHBondContact CD1-O 3.29Å; Q400-L403 CarbonylContact O-C 3.39Å; Q400-L403 WeakPolarHBondContact O-CA 3.44Å; Q400-L403 PolarHBondContact O-N 3.43Å |
| 404 | I | 67 | Low | 69.9 | Low | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -115.9 | 121.6 | 177.7 | -67.6 | 163.4 | 0 | 0 | 0 | 108.3 | V365 V374 I379 Q400 Q406 | V365-I404 HydrophobicContact CG1-CG1 4.46Å; V374-I404 HydrophobicContact CG1-CD1 3.56Å; I379-I404 HydrophobicContact CD1-CG1 3.96Å; I379-I404 HydrophobicContact CG1-CG1 4.2Å; Q400-I404 HydrophobicContact CB-CD1 4.1Å; Q400-I404 WeakPolarHBondContact O-CG1 3.48Å; Q400-I404 PolarHBondContact O-N 3.3Å; Q400-I404 VanDerWaalsContact O-N 3.12Å; I404-Q406 PolarHBondContact O-N 3.45Å |
| 405 | N | 63.1 | Low | 69.4 | Low | 80 Ų | 80 | 63.7 Ų | 63.7 | 43% | 0.428 | 35% | 0.348 | S | S | . | . | trans | -68.1 | 115.8 | 171.4 | -171.1 | -6 | 0 | 0 | 0 | 108.9 | N407 N408 | N405-N407 PolarHBondContact O-N 3.2Å; N405-N407 PolarHBondContact OD1-N 2.79Å; N405-N407 PolarHBondContact OD1-ND2 2.95Å; N405-N408 PolarHBondContact O-N 2.9Å; N405-N408 PolarHBondContact O-OD1 3.17Å | ||
| 406 | Q | 52.1 | Low | 69 | Low | 172 Ų | 172 | 65 Ų | 65 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -4.2 | -175.6 | -64.4 | -177.8 | -5.1 | 0 | 0 | 113.8 | I404 | I404-Q406 PolarHBondContact O-N 3.45Š|
| 407 | N | 58.7 | Low | 68.7 | Low | 138 Ų | 138 | 64.4 Ų | 64.4 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 22.3 | -177.8 | -51.2 | -82.1 | 0 | 0 | 0 | 113.3 | N405 | N405-N407 PolarHBondContact O-N 3.2Å; N405-N407 PolarHBondContact OD1-N 2.79Å; N405-N407 PolarHBondContact OD1-ND2 2.95Å |
| 408 | N | 63.9 | Low | 68.7 | Low | 52 Ų | 52 | 71.9 Ų | 71.9 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | trans | -55.5 | 141.2 | 174.3 | -78.5 | 5.9 | 0 | 0 | 0 | 111 | N405 | N405-N408 PolarHBondContact O-N 2.9Å; N405-N408 PolarHBondContact O-OD1 3.17Å | ||
| 409 | P | 66.9 | Low | 68.7 | Low | 36 Ų | 36 | 66.5 Ų | 66.5 | 23% | 0.234 | 36% | 0.357 | C | S | . | . | trans | -65.8 | 157.5 | 178.9 | 27.9 | -34.4 | 0 | 0 | 0 | 111.7 | P30 L411 | P30-P409 HydrophobicContact CB-CG 3.81Å; P30-P409 HydrophobicContact CG-CG 3.58Å; P409-L411 PolarHBondContact O-N 3.43Å; P409-L411 VanDerWaalsContact O-N 3.09Å | ||
| 410 | K | 66 | Low | 68 | Low | 103 Ų | 103 | 69.7 Ų | 69.7 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | trans | -53.2 | 114.8 | 172 | 172.9 | -177.4 | 172.6 | 159.7 | 0 | 109.7 | H31 T1182 | H31-K410 PolarHBondContact CE1-O 3.22Å; K410-T1182 WeakPolarHBondContact CD-O 3.29Å; K410-T1182 WeakPolarHBondContact CE-O 3.04Å; K410-T1182 VanDerWaalsContact NZ-C 3.33Å; K410-T1182 PolarHBondContact NZ-O 3.05Å | ||
| 411 | L | 73.2 | Confident | 66.6 | Low | 45 Ų | 45 | 74.1 Ų | 74.1 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | trans | -65.5 | 137.6 | -178.8 | -61.4 | -176.2 | 0 | 0 | 0 | 111.9 | P30 Q367 P409 | P30-L411 WeakPolarHBondContact O-CD2 3.42Å; Q367-L411 HydrophobicContact CB-CD1 3.82Å; Q367-L411 HydrophobicContact CG-CD1 4.23Å; P409-L411 PolarHBondContact O-N 3.43Å; P409-L411 VanDerWaalsContact O-N 3.09Å | ||
| 412 | I | 74.6 | Confident | 65.1 | Low | 60 Ų | 60 | 78.6 Ų | 78.6 | 31% | 0.308 | 43% | 0.426 | S | S | . | . | trans | -119.1 | 129.9 | 177.7 | -69.4 | 161.7 | 0 | 0 | 0 | 107.6 | H31 L90 L414 | H31-I412 PolarHBondContact ND1-N 3.4Å; L90-I412 HydrophobicContact CD1-CD1 4.06Å; L90-I412 HydrophobicContact CD2-CD1 3.93Å; L90-I412 HydrophobicContact CG-CD1 4.48Å; I412-L414 HydrophobicContact CG2-CD2 4.41Å; I412-L414 PolarHBondContact O-N 3.17Å; I412-L414 VanDerWaalsContact O-N 3.11Å | ||
| 413 | S | 74.3 | Confident | 63.3 | Low | 81 Ų | 81 | 79.9 Ų | 79.9 | 57% | 0.566 | 44% | 0.441 | S | S | * | . | trans | -72.9 | 105.2 | 174.8 | -169.3 | 0 | 0 | 0 | 0 | 110 | P415 T1180 | S413-P415 WeakPolarHBondContact O-CD 3.34Å; S413-T1180 PolarHBondContact N-OG1 2.91Å | ||
| 414 | L | 79.4 | Confident | 61.4 | Low | 19 Ų | 19 | 86.3 Ų | 86.3 | 10% | 0.099 | 48% | 0.48 | C | S | . | . | trans | -84.4 | 117.6 | 172.9 | -65.3 | 175.7 | 0 | 0 | 0 | 109.4 | H31 V110 V111 I412 I416 | H31-L414 HydrophobicContact CB-CD1 3.67Å; H31-L414 HydrophobicContact CB-CG 4.05Å; V110-L414 HydrophobicContact CG1-CD1 3.77Å; V111-L414 HydrophobicContact CG2-CD2 4.12Å; I412-L414 HydrophobicContact CG2-CD2 4.41Å; I412-L414 PolarHBondContact O-N 3.17Å; I412-L414 VanDerWaalsContact O-N 3.11Å; L414-I416 HydrophobicContact CB-CD1 4.39Å; L414-I416 HydrophobicContact CB-CG1 4.09Å; L414-I416 PolarHBondContact O-N 3.25Å | ||
| 415 | P | 79.4 | Confident | 59.5 | Low | 105 Ų | 105 | 92 Ų | 92 | 68% | 0.682 | 52% | 0.516 | S | S | * | . | trans | -81.1 | 68.2 | -179.3 | 34.2 | -35.6 | 0 | 0 | 0 | 110.8 | V114 S413 | V114-P415 HydrophobicContact CG1-CG 4.16Å; V114-P415 VanDerWaalsContact CG1-O 3.28Å; V114-P415 WeakPolarHBondContact CG1-O 3.27Å; S413-P415 WeakPolarHBondContact O-CD 3.34Å | ||
| 416 | I | 80.6 | Confident | 57.9 | Low | 26 Ų | 26 | 97.4 Ų | 97.4 | 13% | 0.133 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 130.3 | -176.7 | -61.1 | 165.7 | 0 | 0 | 0 | 109.5 | C33 L44 D46 N71 V114 L414 | C33-I416 HydrophobicContact CB-CD1 3.55Å; L44-I416 HydrophobicContact CD2-CG2 4.09Å; D46-I416 HydrophobicContact CB-CB 4.41Å; D46-I416 HydrophobicContact CB-CD1 4Å; D46-I416 HydrophobicContact CB-CG2 4.15Å; N71-I416 HydrophobicContact CB-CG2 3.59Å; V114-I416 HydrophobicContact CG2-CG1 4.06Å; L414-I416 HydrophobicContact CB-CD1 4.39Å; L414-I416 HydrophobicContact CB-CG1 4.09Å; L414-I416 PolarHBondContact O-N 3.25Å |
| 417 | P | 75 | Confident | 56.9 | Low | 47 Ų | 47 | 99.2 Ų | 99.2 | 31% | 0.305 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 144.9 | 178.2 | 27.1 | -35.3 | 0 | 0 | 0 | 111.2 | N71 I72 | N71-P417 PolarHBondContact ND2-O 2.97Å; I72-P417 HydrophobicContact CD1-CG 3.96Å; I72-P417 HydrophobicContact CG1-CG 3.75Å |
| 418 | K | 77.3 | Confident | 55.3 | Low | 172 Ų | 172 | 97.2 Ų | 97.2 | 75% | 0.748 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 147 | 170 | -66.6 | -168.4 | 174.7 | -166.3 | 0 | 110 | ||
| 419 | P | 67.2 | Low | 53.7 | Low | 21 Ų | 21 | 100.7 Ų | 100.7 | 14% | 0.136 | 57% | 0.566 | C | S | . | * | P | Polyproline II helix | trans | -62 | 147.9 | 177 | -20.6 | 33 | 0 | 0 | 0 | 112.3 | T69 V421 | T69-P419 WeakPolarHBondContact OG1-CB 3.33Å; P419-V421 PolarHBondContact O-N 3.13Å |
| 420 | V | 52.9 | Low | 51.8 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 81% | 0.806 | 59% | 0.593 | S | S | * | * | trans | -83.6 | 108.1 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | L422 | V420-L422 PolarHBondContact O-N 2.96Š| ||
| 421 | V | 38.9 | Very low | 50.1 | Low | 121 Ų | 121 | 108.1 Ų | 108.1 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | trans | -84 | 110.9 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | P419 S423 | P419-V421 PolarHBondContact O-N 3.13Å; V421-S423 PolarHBondContact O-N 3.07Å | ||
| 422 | L | 28.2 | Very low | 48 | Very low | 155 Ų | 155 | 111 Ų | 111 | 81% | 0.812 | 63% | 0.627 | S | S | * | * | trans | -77.1 | 91.6 | 169.7 | -83.6 | 148.7 | 0 | 0 | 0 | 110.3 | V420 T424 | V420-L422 PolarHBondContact O-N 2.96Å; L422-T424 PolarHBondContact O-N 2.91Å | ||
| 423 | S | 26.1 | Very low | 45.7 | Very low | 101 Ų | 101 | 112.7 Ų | 112.7 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | -74.6 | 91.3 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | V421 T425 | V421-S423 PolarHBondContact O-N 3.07Å; S423-T425 VanDerWaalsContact C-N 3.32Å; S423-T425 PolarHBondContact O-N 3.01Å; S423-T425 VanDerWaalsContact O-N 3.07Å | ||
| 424 | T | 25.6 | Very low | 43.5 | Very low | 136 Ų | 136 | 117.6 Ų | 117.6 | 83% | 0.834 | 66% | 0.655 | S | S | * | * | trans | -84.2 | 58.9 | -178.5 | 43.4 | 0 | 0 | 0 | 0 | 113.5 | L422 | L422-T424 PolarHBondContact O-N 2.91Š| ||
| 425 | T | 26.6 | Very low | 41.1 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 80% | 0.798 | 68% | 0.678 | S | S | * | * | trans | -132.7 | 44.6 | -174.8 | -33.7 | 0 | 0 | 0 | 0 | 115.1 | S423 | S423-T425 VanDerWaalsContact C-N 3.32Å; S423-T425 PolarHBondContact O-N 3.01Å; S423-T425 VanDerWaalsContact O-N 3.07Å | ||
| 426 | E | 28.3 | Very low | 38.8 | Very low | 193 Ų | 193 | 117.9 Ų | 117.9 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | trans | -106.5 | 102.7 | 164 | -70.9 | -155.7 | 145.2 | 0 | 0 | 111.8 | S428 | E426-S428 PolarHBondContact O-N 3.21Š| ||
| 427 | K | 31.2 | Very low | 36.3 | Very low | 209 Ų | 209 | 122.1 Ų | 122.1 | 91% | 0.909 | 69% | 0.689 | S | S | * | * | trans | -88.6 | 88.7 | 164.4 | -80 | -172.9 | 174.8 | -179.8 | 0 | 109.7 | ||||
| 428 | S | 24.9 | Very low | 34 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | -60.6 | 141.9 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 113 | E426 | E426-S428 PolarHBondContact O-N 3.21Š| ||
| 429 | P | 30.2 | Very low | 31.7 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -89.3 | 111.7 | 150.3 | 32.4 | -26.2 | 0 | 0 | 0 | 110.4 | ||||
| 430 | L | 27.3 | Very low | 29.7 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -65.9 | 145.8 | 179.3 | -179.6 | 72.2 | 0 | 0 | 0 | 113 | ||||
| 431 | N | 30.1 | Very low | 28.5 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | trans | -148.6 | 114.9 | 155.2 | -119.3 | -36.1 | 0 | 0 | 0 | 114.3 | ||||
| 432 | T | 29.2 | Very low | 27.9 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | 35.6 | 126.5 | 143.3 | 58 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 433 | S | 27.6 | Very low | 27.9 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | cis | -164.5 | 140.4 | 45.4 | -70.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 434 | K | 28.5 | Very low | 28.3 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | 30.6 | 150.5 | 123 | -60 | 176.7 | -177.8 | 177.6 | 0 | 120.9 | |||||
| 435 | S | 27.1 | Very low | 28.5 | Very low | 81 Ų | 81 | 126 Ų | 126 | 57% | 0.566 | 73% | 0.725 | S | S | * | * | cis | 177.6 | 143.2 | -10.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | H1358 | S435-H1358 VanDerWaalsContact C-CE1 3.43Å; S435-H1358 PolarHBondContact O-CE1 2.93Å; S435-H1358 PolarHBondContact O-NE2 3.02Å | ||
| 436 | S | 31 | Very low | 28.9 | Very low | 50 Ų | 50 | 124.8 Ų | 124.8 | 35% | 0.35 | 72% | 0.72 | S | S | . | * | trans | 157.5 | 163.6 | 145.5 | 89.1 | 0 | 0 | 0 | 0 | 109.5 | H1358 | S436-H1358 WeakPolarHBondContact CA-NE2 3.13Å; S436-H1358 WeakPolarHBondContact CB-CE1 3.1Å; S436-H1358 WeakPolarHBondContact CB-NE2 3.39Å; S436-H1358 PolarHBondContact N-NE2 3.08Å; S436-H1358 PolarHBondContact O-CD2 3.18Å; S436-H1358 PolarHBondContact O-NE2 3.23Å; S436-H1358 PolarHBondContact OG-CE1 3.12Å; S436-H1358 PolarHBondContact OG-NE2 3.45Å | ||
| 437 | T | 29.8 | Very low | 28.8 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | cis | -128.9 | 138.2 | -0.8 | -58.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 438 | L | 26.1 | Very low | 28.9 | Very low | 159 Ų | 159 | 116.7 Ų | 116.7 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | trans | -105.9 | 153.5 | 175.5 | -109.9 | 161.5 | 0 | 0 | 0 | 110.6 | ||||
| 439 | V | 28.5 | Very low | 28.9 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -137.2 | 134.3 | 161.9 | 174.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 440 | S | 24.8 | Very low | 28.6 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | cis | -165.7 | 180 | -20.3 | -97.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 441 | A | 28.1 | Very low | 28.5 | Very low | 89 Ų | 89 | 121 Ų | 121 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | 69.9 | 101.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 442 | S | 27.6 | Very low | 28.4 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | 78.8 | 136.4 | 70.1 | 74.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 443 | N | 27.9 | Very low | 28.2 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 67% | 0.674 | 71% | 0.705 | S | S | * | * | cis | -160.9 | 167.5 | 9.7 | -135.6 | 41.8 | 0 | 0 | 0 | 111.4 | ||||
| 444 | D | 33.3 | Very low | 28.1 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | trans | 61.6 | 140.3 | 155.9 | -55.1 | -43.2 | 0 | 0 | 0 | 119.5 | ||||
| 445 | N | 30.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | cis | -151.6 | 159 | -14.7 | -114.3 | -44.8 | 0 | 0 | 0 | 110.2 | ||||
| 446 | P | 33.7 | Very low | 28 | Very low | 106 Ų | 106 | 122 Ų | 122 | 69% | 0.688 | 72% | 0.715 | S | S | * | * | trans | -105.1 | -156.8 | -171.9 | 42.6 | -36.1 | 0 | 0 | 0 | 113.6 | ||||
| 447 | S | 27.9 | Very low | 27.9 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | 77.6 | 154.2 | -177.6 | 81.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 448 | V | 32.1 | Very low | 27.9 | Very low | 122 Ų | 122 | 125 Ų | 125 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | cis | -129.6 | 125 | 10.2 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 449 | L | 25 | Very low | 28.2 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | 68.9 | 137.7 | 70.3 | -115.3 | 172.2 | 0 | 0 | 0 | 115.8 | |||||
| 450 | M | 24.9 | Very low | 28.3 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | 75.3 | 143.6 | 162.8 | -52.3 | -164.3 | -176.5 | 0 | 0 | 121.8 | ||||
| 451 | M | 25 | Very low | 28.5 | Very low | 171 Ų | 171 | 119.9 Ų | 119.9 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | trans | 83.3 | 155 | 137.1 | -113.5 | 57 | 178.7 | 0 | 0 | 122.1 | ||||
| 452 | A | 26.8 | Very low | 28.6 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | trans | 59.7 | 101 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 453 | N | 25.3 | Very low | 28.7 | Very low | 132 Ų | 132 | 115.9 Ų | 115.9 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | 74.9 | 133 | 73.1 | -82.2 | -47.4 | 0 | 0 | 0 | 114.7 | A455 | N453-A455 PolarHBondContact O-N 3.31Š| |||
| 454 | Q | 26.1 | Very low | 28.8 | Very low | 161 Ų | 161 | 114.9 Ų | 114.9 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | trans | 39.4 | 82.3 | 130.1 | -49.7 | 170.8 | 47.9 | 0 | 0 | 117.9 | ||||
| 455 | A | 27.4 | Very low | 28.5 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | -142.1 | 115.5 | 129.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | N453 | N453-A455 PolarHBondContact O-N 3.31Š| |||
| 456 | K | 26.8 | Very low | 28.3 | Very low | 161 Ų | 161 | 113.7 Ų | 113.7 | 70% | 0.7 | 65% | 0.652 | S | S | * | * | 70.6 | 102.3 | 56.9 | -71.5 | -170.9 | 139.7 | -142.4 | 0 | 114.1 | |||||
| 457 | Q | 27.9 | Very low | 28 | Very low | 125 Ų | 125 | 111.9 Ų | 111.9 | 58% | 0.584 | 65% | 0.647 | S | S | * | * | 100.9 | 116.2 | 110.5 | -77.2 | -171.8 | -87.6 | 0 | 0 | 120.1 | |||||
| 458 | N | 30.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 113.4 Ų | 113.4 | 54% | 0.535 | 65% | 0.646 | S | S | . | * | 72.3 | 168.2 | 118.4 | -60 | 11.8 | 0 | 0 | 0 | 117.3 | I460 | N458-I460 HydrophobicContact CB-CD1 4.11Å; N458-I460 HydrophobicContact CB-CG1 4.44Å; N458-I460 WeakPolarHBondContact ND2-CD1 2.84Å; N458-I460 WeakPolarHBondContact OD1-CD1 2.6Å | |||
| 459 | V | 31.3 | Very low | 27.7 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | cis | -126.1 | 128 | 7.4 | -149.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 460 | I | 32 | Very low | 27.9 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | 55.6 | 127.2 | 66.3 | -45.3 | 171.2 | 0 | 0 | 0 | 108.8 | N458 N1149 | N458-I460 HydrophobicContact CB-CD1 4.11Å; N458-I460 HydrophobicContact CB-CG1 4.44Å; N458-I460 WeakPolarHBondContact ND2-CD1 2.84Å; N458-I460 WeakPolarHBondContact OD1-CD1 2.6Å; I460-N1149 PolarHBondContact O-ND2 3.37Å | |||
| 461 | T | 28.4 | Very low | 28.1 | Very low | 69 Ų | 69 | 113.5 Ų | 113.5 | 42% | 0.423 | 64% | 0.636 | S | S | . | * | -158.8 | 168.1 | 71.3 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | N1149 D1150 | T461-N1149 PolarHBondContact OG1-ND2 3.14Å; T461-D1150 WeakPolarHBondContact CB-OD1 3.46Å; T461-D1150 WeakPolarHBondContact CG2-OD2 3.45Å; T461-D1150 PolarHBondContact OG1-OD1 3.01Å; T461-D1150 PolarHBondContact OG1-OD2 3.05Å | |||
| 462 | S | 28.9 | Very low | 28.2 | Very low | 35 Ų | 35 | 113 Ų | 113 | 25% | 0.245 | 63% | 0.631 | C | S | . | * | cis | -144.4 | 134.7 | -9.5 | 21.6 | 0 | 0 | 0 | 0 | 107.2 | D1150 N1152 | S462-D1150 PolarHBondContact OG-OD1 3.03Å; S462-N1152 WeakPolarHBondContact CB-ND2 3.32Å; S462-N1152 PolarHBondContact O-ND2 3.47Å; S462-N1152 PolarHBondContact OG-ND2 3.32Å | ||
| 463 | S | 31.2 | Very low | 28.4 | Very low | 72 Ų | 72 | 117.5 Ų | 117.5 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | 40.8 | 139 | 89.8 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | N1152 | S463-N1152 PolarHBondContact O-ND2 2.88Š| |||
| 464 | V | 28.7 | Very low | 28.3 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 64% | 0.642 | 64% | 0.638 | S | S | * | * | -154 | 126.8 | 58.3 | 169.6 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 465 | D | 27.7 | Very low | 28.5 | Very low | 131 Ų | 131 | 113.3 Ų | 113.3 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | 60.1 | 149.5 | 79.6 | -84.3 | -63.5 | 0 | 0 | 0 | 113.2 | |||||
| 466 | S | 26.7 | Very low | 28.2 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | cis | -154.8 | -165 | -14.8 | -126.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 467 | A | 27.2 | Very low | 28.3 | Very low | 69 Ų | 69 | 116.9 Ų | 116.9 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | cis | -162.6 | 170 | 17.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 468 | N | 25.4 | Very low | 28.1 | Very low | 141 Ų | 141 | 117.7 Ų | 117.7 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | 49.9 | 130 | 134.3 | -60.9 | -6 | 0 | 0 | 0 | 119.9 | ||||
| 469 | N | 27.6 | Very low | 28.3 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | cis | -170.5 | 145.8 | 43.2 | -115.7 | -14.7 | 0 | 0 | 0 | 113.3 | ||||
| 470 | H | 29.5 | Very low | 28 | Very low | 144 Ų | 144 | 117.8 Ų | 117.8 | 67% | 0.667 | 66% | 0.658 | S | S | * | * | trans | 67.4 | 155.1 | 146.1 | -65.5 | 30.7 | 0 | 0 | 0 | 117.5 | ||||
| 471 | Q | 29.8 | Very low | 27.7 | Very low | 156 Ų | 156 | 120.2 Ų | 120.2 | 73% | 0.729 | 67% | 0.672 | S | S | * | * | cis | -155 | 141.4 | -3.5 | -129.5 | 159.4 | -23.2 | 0 | 0 | 112.8 | ||||
| 472 | H | 27.8 | Very low | 27.6 | Very low | 160 Ų | 160 | 120.5 Ų | 120.5 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | trans | 23.7 | 113.9 | 146.3 | -69.8 | -114.2 | 0 | 0 | 0 | 122.7 | ||||
| 473 | H | 30.4 | Very low | 27.6 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | 173 | 132.3 | 115.5 | -106.4 | -84.3 | 0 | 0 | 0 | 108.8 | |||||
| 474 | V | 23.6 | Very low | 27.3 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | cis | 82.7 | 85 | 20.4 | -167.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 475 | A | 28.8 | Very low | 27.2 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | 171.9 | 117.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 476 | E | 22.9 | Very low | 27.1 | Very low | 167 Ų | 167 | 125.8 Ų | 125.8 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | cis | 58.4 | 106.8 | 26.2 | -164.9 | 175.2 | -122 | 0 | 0 | 114 | ||||
| 477 | I | 28.2 | Very low | 27 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -170.2 | 140 | 149.1 | -101.1 | 151.9 | 0 | 0 | 0 | 109 | ||||
| 478 | L | 23.9 | Very low | 27 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | -90.9 | -145.8 | 177.8 | -67.2 | 93.8 | 0 | 0 | 0 | 110.7 | ||||
| 479 | P | 34.3 | Very low | 27 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | -124.8 | -151.6 | -92.4 | 36.9 | -18.8 | 0 | 0 | 0 | 112.8 | |||||
| 480 | V | 24.7 | Very low | 26.9 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | trans | 77 | 108.6 | 148.4 | 162.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 481 | N | 27 | Very low | 26.7 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | 176.8 | 132.7 | 112.7 | -89 | -53.4 | 0 | 0 | 0 | 108.5 | |||||
| 482 | A | 25.6 | Very low | 26.6 | Very low | 75 Ų | 75 | 123.1 Ų | 123.1 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | cis | 86.2 | 88.1 | 24.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 483 | A | 29.5 | Very low | 26.4 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -155.8 | 111.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 484 | I | 24.1 | Very low | 26.2 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | cis | 67.7 | 86.3 | 37.7 | -44.9 | 178.4 | 0 | 0 | 0 | 112.8 | ||||
| 485 | C | 26 | Very low | 26.3 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | -152.2 | 117.1 | 129.5 | -93.1 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 486 | S | 26 | Very low | 26.1 | Very low | 92 Ų | 92 | 116.6 Ų | 116.6 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | 70 | 95.7 | 98.8 | -53 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 487 | S | 24.5 | Very low | 26.2 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | 57.2 | 125.1 | 89.4 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 488 | S | 26.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | cis | -166.8 | 172.8 | 31.2 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 489 | N | 25.5 | Very low | 25.9 | Very low | 143 Ų | 143 | 112.1 Ų | 112.1 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | trans | 65.1 | 118.1 | 148.5 | -68.6 | -1.2 | 0 | 0 | 0 | 122.4 | ||||
| 490 | S | 26.9 | Very low | 25.4 | Very low | 101 Ų | 101 | 111.7 Ų | 111.7 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | 73 | 110.4 | 128.2 | 67.6 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 491 | N | 24.8 | Very low | 25.4 | Very low | 143 Ų | 143 | 113.5 Ų | 113.5 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | 56.8 | 92.2 | 122.1 | -62.6 | -3 | 0 | 0 | 0 | 119.6 | |||||
| 492 | S | 26.6 | Very low | 25.3 | Very low | 79 Ų | 79 | 112.4 Ų | 112.4 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | 83.8 | 148.7 | 108.9 | 78.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 493 | N | 24.7 | Very low | 25.2 | Very low | 66 Ų | 66 | 115.3 Ų | 115.3 | 35% | 0.353 | 70% | 0.7 | S | S | . | * | trans | 84.8 | 121.9 | 140 | -73.6 | -13.4 | 0 | 0 | 0 | 121.3 | Q981 | N493-Q981 VanDerWaalsContact ND2-CD 3.29Å; N493-Q981 PolarHBondContact ND2-OE1 3.47Å; N493-Q981 WeakPolarHBondContact OD1-CG 3.45Å; N493-Q981 PolarHBondContact OD1-OE1 3.09Å | ||
| 494 | L | 25.3 | Very low | 24.9 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 59% | 0.592 | 70% | 0.7 | S | S | * | * | trans | 70.7 | 144.5 | 138.5 | -59.8 | 169.9 | 0 | 0 | 0 | 117 | ||||
| 495 | Q | 26.2 | Very low | 25 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | cis | -160.7 | 160.5 | -22.6 | -145.9 | 168.8 | 12.9 | 0 | 0 | 109.1 | ||||
| 496 | S | 24 | Very low | 25.2 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | trans | 28.2 | 98.8 | 153.4 | 57.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 497 | I | 25.1 | Very low | 25.1 | Very low | 158 Ų | 158 | 121.3 Ų | 121.3 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | -137.5 | 96 | 146.1 | -60.2 | -179.9 | 0 | 0 | 0 | 104.9 | ||||
| 498 | T | 23.5 | Very low | 25.2 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | 49.3 | 114.6 | 75 | 65.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 499 | S | 23.8 | Very low | 25.3 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | 81 | 145.7 | 168.7 | 80 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 500 | S | 23.4 | Very low | 25.2 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | 68.2 | 98.8 | 148.9 | -53.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 501 | I | 25.2 | Very low | 25.3 | Very low | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | 22.3 | 121.5 | 125.3 | -58.5 | 166.1 | 0 | 0 | 0 | 116.5 | |||||
| 502 | P | 23.8 | Very low | 25.3 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | -126.7 | 130.8 | 110.9 | 1.7 | 19 | 0 | 0 | 0 | 114.3 | |||||
| 503 | L | 23.2 | Very low | 25.4 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | -72.3 | 157.1 | 148.4 | -87.3 | 160.1 | 0 | 0 | 0 | 109.5 | ||||
| 504 | N | 23.9 | Very low | 25.4 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 62.7 | 104.1 | 167.9 | -54.7 | -29.6 | 0 | 0 | 0 | 117.6 | ||||
| 505 | S | 25.6 | Very low | 25.5 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | -171.6 | 97.1 | 127 | -172 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 506 | L | 29.8 | Very low | 25.3 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -175.2 | 69 | 138.1 | -103.2 | 160.8 | 0 | 0 | 0 | 110.7 | ||||
| 507 | N | 24.9 | Very low | 25.4 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -58.3 | 138.4 | 155.1 | -84.8 | -31.7 | 0 | 0 | 0 | 109 | ||||
| 508 | N | 27.2 | Very low | 25.5 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 174.9 | 74.7 | 135.6 | -89.6 | -25 | 0 | 0 | 0 | 113.7 | ||||
| 509 | K | 28.2 | Very low | 25.7 | Very low | 209 Ų | 209 | 141.3 Ų | 141.3 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | -179.3 | 111.7 | 113.4 | -100.5 | 176.6 | 179 | -179.7 | 0 | 112 | |||||
| 510 | S | 23.2 | Very low | 25.8 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -76 | 132.1 | 164.3 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 511 | T | 29 | Very low | 25.9 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -146.9 | 117.5 | 144 | 18.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 512 | E | 24.3 | Very low | 25.9 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -72.1 | 139.5 | 171 | -56.7 | 177.2 | 105.5 | 0 | 0 | 110 | ||||
| 513 | S | 28.5 | Very low | 25.9 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -146.5 | 101.4 | 152.3 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 514 | K | 25.3 | Very low | 26 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | trans | -58 | 135.2 | 165.2 | -60.2 | 159.1 | -176.9 | 164.1 | 0 | 108.3 | ||||
| 515 | L | 26.9 | Very low | 26 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -164.4 | 139.2 | 134.8 | -108.4 | 161.9 | 0 | 0 | 0 | 112.6 | ||||
| 516 | S | 23.5 | Very low | 26 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -75.4 | 168.1 | -172.9 | -46.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 517 | S | 25.1 | Very low | 25.8 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 56.8 | 105.1 | 146.9 | 58.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 518 | S | 26.2 | Very low | 25.9 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -153 | 115.3 | 136.4 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 519 | L | 28 | Very low | 25.9 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | trans | -108 | 78.1 | 172.5 | -167.8 | 100.8 | 0 | 0 | 0 | 108.8 | ||||
| 520 | H | 26.7 | Very low | 26 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -134.8 | 89.1 | -174.2 | -103.1 | -95.1 | 0 | 0 | 0 | 115.1 | ||||
| 521 | K | 24.4 | Very low | 26.2 | Very low | 185 Ų | 185 | 132.5 Ų | 132.5 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | 34.1 | 105.8 | 121.7 | -171.6 | -175.2 | -176.2 | -173.9 | 0 | 116.7 | |||||
| 522 | S | 26.1 | Very low | 26.3 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | -141.3 | 81.5 | 161.4 | -78.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 523 | T | 24.1 | Very low | 26.5 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -81.7 | 126.6 | 152 | -52.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 524 | M | 24.6 | Very low | 26.7 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | 171.7 | 158.8 | 140.3 | -98.1 | -54.8 | 173.4 | 0 | 0 | 115 | ||||
| 525 | T | 25.1 | Very low | 26.8 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | trans | 52.1 | 115.5 | 148.4 | 53 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 526 | N | 25.3 | Very low | 26.8 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 46% | 0.46 | 73% | 0.728 | S | S | . | * | 39.5 | 102.3 | 103 | -61.1 | 40.8 | 0 | 0 | 0 | 119.9 | S528 E1166 N1167 | N526-S528 PolarHBondContact O-N 2.96Å; N526-E1166 PolarHBondContact ND2-O 3.39Å; N526-N1167 WeakPolarHBondContact CA-O 3.47Å; N526-N1167 VanDerWaalsContact CB-O 3.29Å; N526-N1167 WeakPolarHBondContact CB-O 3.39Å; N526-N1167 PolarHBondContact ND2-O 3.15Å; N526-N1167 PolarHBondContact OD1-O 3.5Å | |||
| 527 | S | 26 | Very low | 27 | Very low | 53 Ų | 53 | 130.1 Ų | 130.1 | 37% | 0.371 | 73% | 0.731 | S | S | . | * | trans | -73.3 | 114.4 | 146.5 | 81.8 | 0 | 0 | 0 | 0 | 110.7 | N1167 L1168 | S527-N1167 PolarHBondContact O-ND2 3.05Å; S527-L1168 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 528 | S | 26.9 | Very low | 27.1 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | -80.6 | 155.4 | 115.1 | 5.2 | 0 | 0 | 0 | 0 | 109.1 | N526 E1166 | N526-S528 PolarHBondContact O-N 2.96Å; S528-E1166 WeakPolarHBondContact CB-OE2 3.09Å; S528-E1166 PolarHBondContact OG-OE2 2.88Å | |||
| 529 | V | 26.2 | Very low | 27.2 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | trans | -75.2 | 135.5 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 530 | N | 29.8 | Very low | 27.3 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | -159 | 113.9 | 141.1 | -109.5 | -18.7 | 0 | 0 | 0 | 111.7 | ||||
| 531 | N | 27.2 | Very low | 27.3 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -71.6 | 133.8 | 157 | -75.5 | -20.5 | 0 | 0 | 0 | 108.2 | ||||
| 532 | N | 32.6 | Very low | 27.9 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | trans | -156.2 | 147.8 | 141.1 | -108.1 | -35.5 | 0 | 0 | 0 | 111 | ||||
| 533 | N | 28.7 | Very low | 28 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -86.8 | 175.8 | -170.5 | -64.9 | -41.2 | 0 | 0 | 0 | 112.6 | ||||
| 534 | N | 32.3 | Very low | 28.1 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | 93.1 | 86.8 | 156.6 | -51.1 | -33.2 | 0 | 0 | 0 | 118.8 | ||||
| 535 | N | 27.9 | Very low | 28.3 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | 65.9 | 148.1 | 105.4 | -155.8 | 16.1 | 0 | 0 | 0 | 121 | |||||
| 536 | V | 26.9 | Very low | 28.3 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | trans | 80.8 | 101 | 163.1 | -165.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 537 | N | 26.5 | Very low | 28.4 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | 51.4 | 106.7 | 135.5 | -58.9 | -5.9 | 0 | 0 | 0 | 124.1 | ||||
| 538 | S | 27.8 | Very low | 28.4 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | 89.8 | 144.1 | 108.3 | 82.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 539 | T | 28.7 | Very low | 28.4 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | 95.7 | 92 | 143.4 | -45.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 540 | I | 29.1 | Very low | 28.5 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 30.7 | 121.8 | 130.6 | -37.2 | 171.3 | 0 | 0 | 0 | 119.7 | ||||
| 541 | I | 28.2 | Very low | 28.4 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | 175.8 | 133.1 | 118.3 | -88 | 160.8 | 0 | 0 | 0 | 109.7 | |||||
| 542 | P | 35.6 | Very low | 28.2 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -110 | 158.4 | 175.8 | 39.5 | -31.9 | 0 | 0 | 0 | 113.9 | ||||
| 543 | D | 28 | Very low | 27.9 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -155.8 | 170.8 | 159.5 | -137.1 | -37.6 | 0 | 0 | 0 | 114.2 | ||||
| 544 | N | 27.7 | Very low | 27.7 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -61 | 169.9 | -173.6 | -68.3 | -86 | 0 | 0 | 0 | 114.4 | ||||
| 545 | K | 27.6 | Very low | 27.4 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | -170.7 | 179.2 | 40.2 | -152.9 | 163.1 | -175.9 | 174.8 | 0 | 113.3 | ||||
| 546 | E | 26.4 | Very low | 27.4 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | trans | -79.6 | 151.9 | -179 | -50.6 | 148.2 | 118.6 | 0 | 0 | 114.4 | ||||
| 547 | N | 26.7 | Very low | 27.4 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | 176.9 | 135.9 | 109.4 | -100.7 | -65.1 | 0 | 0 | 0 | 117.9 | |||||
| 548 | S | 26 | Very low | 27.7 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | 63 | 143 | 130.6 | -164.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 549 | T | 26.3 | Very low | 27.7 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 115.5 | 133.1 | 135.6 | -20.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 550 | H | 27.7 | Very low | 27.6 | Very low | 177 Ų | 177 | 145 Ų | 145 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -84 | 152 | -174.7 | -58.5 | -113.7 | 0 | 0 | 0 | 114 | ||||
| 551 | Q | 29.5 | Very low | 27.8 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 96% | 0.963 | 79% | 0.785 | S | S | * | * | trans | -160.1 | -175.2 | 130.5 | -113.8 | 174.7 | 72.6 | 0 | 0 | 113.5 | ||||
| 552 | C | 21.6 | Very low | 28.2 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -126.8 | 142.3 | -138.2 | -174.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 553 | K | 26.4 | Very low | 28.4 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 67.5 | 154.9 | 172.2 | -65.6 | 159.4 | -178.5 | 177.3 | 0 | 115.1 | ||||
| 554 | T | 24.6 | Very low | 28.9 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -149.7 | 158.2 | 22.4 | -35.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 555 | S | 25.5 | Very low | 30.4 | Very low | 92 Ų | 92 | 141 Ų | 141 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | 63.3 | 115.8 | 147.5 | 51.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 556 | I | 28.5 | Very low | 31.7 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | 83.6 | 137 | 130.6 | -62.5 | 167.8 | 0 | 0 | 0 | 118.9 | ||||
| 557 | N | 26.5 | Very low | 33.1 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 74.1 | 155.7 | 176.7 | -63.3 | -26.4 | 0 | 0 | 0 | 117.6 | ||||
| 558 | Q | 32.5 | Very low | 34.5 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | 66.3 | 108.7 | -178 | -54.2 | -175.7 | 8.9 | 0 | 0 | 116.8 | ||||
| 559 | L | 28.4 | Very low | 35.9 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 96% | 0.963 | 72% | 0.721 | S | S | * | * | trans | -144.9 | 68.3 | 156.2 | -164.3 | 72.1 | 0 | 0 | 0 | 110 | ||||
| 560 | G | 27.3 | Very low | 37.6 | Very low | 65 Ų | 65 | 132.1 Ų | 132.1 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | trans | -101.6 | 156.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 561 | D | 32.5 | Very low | 38.9 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | trans | 48 | 89.6 | 163.5 | -56.2 | -20.4 | 0 | 0 | 0 | 118.1 | ||||
| 562 | L | 35.8 | Very low | 39.9 | Very low | 172 Ų | 172 | 119.1 Ų | 119.1 | 90% | 0.901 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 122.6 | 162.3 | -141.2 | 78.4 | 0 | 0 | 0 | 109.3 | ||
| 563 | P | 40 | Very low | 42 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 71% | 0.714 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 142.5 | -174.8 | 27.8 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 564 | L | 40.1 | Very low | 44 | Very low | 113 Ų | 113 | 117 Ų | 117 | 59% | 0.592 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 137.7 | 175.9 | -79.5 | 114.8 | 0 | 0 | 0 | 111.7 | I568 Q569 | L564-I568 HydrophobicContact CD2-CG2 3.98Å; L564-Q569 PolarHBondContact O-NE2 3.03Å |
| 565 | P | 57.8 | Low | 45.8 | Very low | 66 Ų | 66 | 117.5 Ų | 117.5 | 43% | 0.429 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -51.1 | 138.2 | 174.8 | -29 | 34.5 | 0 | 0 | 0 | 113.6 | S567 I568 Q569 | P565-S567 PolarHBondContact O-N 3.43Å; P565-S567 VanDerWaalsContact O-N 3.1Å; P565-I568 HydrophobicContact CB-CG1 4.41Å; P565-I568 HydrophobicContact CG-CD1 4.33Å; P565-I568 PolarHBondContact O-N 2.97Å; P565-Q569 PolarHBondContact O-N 3.16Å |
| 566 | K | 55.5 | Low | 47.7 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 74% | 0.735 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -55 | -30.7 | -179.5 | -72.1 | -178.6 | 177.4 | 176.2 | 0 | 113.6 | Q569 L570 | K566-Q569 PolarHBondContact O-N 3.21Å; K566-L570 WeakPolarHBondContact O-CB 3.22Å; K566-L570 WeakPolarHBondContact O-CG 3.38Å; K566-L570 PolarHBondContact O-N 2.94Å |
| 567 | S | 56.4 | Low | 49.5 | Very low | 68 Ų | 68 | 113.2 Ų | 113.2 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.6 | -40.5 | 174.5 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | P565 A571 | P565-S567 PolarHBondContact O-N 3.43Å; P565-S567 VanDerWaalsContact O-N 3.1Å; S567-A571 WeakPolarHBondContact O-CB 3.23Å; S567-A571 PolarHBondContact O-N 3.33Å |
| 568 | I | 56 | Low | 51 | Low | 92 Ų | 92 | 108.9 Ų | 108.9 | 47% | 0.472 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.6 | -38.3 | 176.7 | -57.7 | -177.4 | 0 | 0 | 0 | 110.2 | L564 P565 A571 A572 | L564-I568 HydrophobicContact CD2-CG2 3.98Å; P565-I568 HydrophobicContact CB-CG1 4.41Å; P565-I568 HydrophobicContact CG-CD1 4.33Å; P565-I568 PolarHBondContact O-N 2.97Å; I568-A571 PolarHBondContact O-N 3.41Å; I568-A572 WeakPolarHBondContact O-CB 3.12Å; I568-A572 PolarHBondContact O-N 3.27Å |
| 569 | Q | 55.8 | Low | 52.5 | Low | 95 Ų | 95 | 104.4 Ų | 104.4 | 44% | 0.444 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.5 | -45.3 | 174.8 | -57.8 | -179 | 14.8 | 0 | 0 | 111.6 | L564 P565 K566 A572 I573 | L564-Q569 PolarHBondContact O-NE2 3.03Å; P565-Q569 PolarHBondContact O-N 3.16Å; K566-Q569 PolarHBondContact O-N 3.21Å; Q569-A572 PolarHBondContact O-N 3.47Å; Q569-I573 VanDerWaalsContact O-CG1 3.31Å; Q569-I573 WeakPolarHBondContact O-CG1 3.43Å; Q569-I573 PolarHBondContact O-N 3.39Å |
| 570 | L | 61.9 | Low | 54.5 | Low | 105 Ų | 105 | 100.9 Ų | 100.9 | 55% | 0.55 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.2 | -42.2 | 176 | -75.7 | 165.1 | 0 | 0 | 0 | 112.4 | K566 I573 H574 | K566-L570 WeakPolarHBondContact O-CB 3.22Å; K566-L570 WeakPolarHBondContact O-CG 3.38Å; K566-L570 PolarHBondContact O-N 2.94Å; L570-I573 PolarHBondContact O-N 2.98Å; L570-H574 PolarHBondContact O-CD2 3.06Å; L570-H574 PolarHBondContact O-N 2.87Å |
| 571 | A | 53.4 | Low | 56.4 | Low | 58 Ų | 58 | 103.7 Ų | 103.7 | 48% | 0.479 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.3 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S567 I568 I573 H574 F575 | S567-A571 WeakPolarHBondContact O-CB 3.23Å; S567-A571 PolarHBondContact O-N 3.33Å; I568-A571 PolarHBondContact O-N 3.41Å; A571-I573 PolarHBondContact O-N 3.02Å; A571-H574 PolarHBondContact O-N 2.93Å; A571-F575 WeakPolarHBondContact O-CB 3.38Å; A571-F575 PolarHBondContact O-N 2.83Å |
| 572 | A | 51.5 | Low | 57.6 | Low | 52 Ų | 52 | 102.9 Ų | 102.9 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I568 Q569 T576 | I568-A572 WeakPolarHBondContact O-CB 3.12Å; I568-A572 PolarHBondContact O-N 3.27Å; Q569-A572 PolarHBondContact O-N 3.47Å; A572-T576 WeakPolarHBondContact O-CB 3.49Å; A572-T576 PolarHBondContact O-N 3.22Å; A572-T576 PolarHBondContact O-OG1 2.83Å |
| 573 | I | 66.4 | Low | 58.8 | Low | 103 Ų | 103 | 97.8 Ų | 97.8 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 175.1 | -69.1 | 163.5 | 0 | 0 | 0 | 110.7 | Q569 L570 A571 F575 T576 S577 | Q569-I573 VanDerWaalsContact O-CG1 3.31Å; Q569-I573 WeakPolarHBondContact O-CG1 3.43Å; Q569-I573 PolarHBondContact O-N 3.39Å; L570-I573 PolarHBondContact O-N 2.98Å; A571-I573 PolarHBondContact O-N 3.02Å; I573-F575 VanDerWaalsContact C-N 3.34Å; I573-F575 PolarHBondContact O-N 2.96Å; I573-T576 PolarHBondContact O-N 3.48Å; I573-S577 PolarHBondContact O-N 3.16Å; I573-S577 PolarHBondContact O-OG 3.13Å |
| 574 | H | 68.6 | Low | 59.9 | Low | 141 Ų | 141 | 96.1 Ų | 96.1 | 65% | 0.653 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.8 | -41.9 | 177.7 | -90.9 | -88.6 | 0 | 0 | 0 | 112.8 | L570 A571 S577 A578 | L570-H574 PolarHBondContact O-CD2 3.06Å; L570-H574 PolarHBondContact O-N 2.87Å; A571-H574 PolarHBondContact O-N 2.93Å; H574-S577 PolarHBondContact O-N 2.79Å; H574-A578 PolarHBondContact O-N 3.43Å |
| 575 | F | 61.8 | Low | 60.7 | Low | 135 Ų | 135 | 93.4 Ų | 93.4 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 176.8 | -175.7 | -106.7 | 0 | 0 | 0 | 112.3 | A571 I573 A578 L579 | A571-F575 WeakPolarHBondContact O-CB 3.38Å; A571-F575 PolarHBondContact O-N 2.83Å; I573-F575 VanDerWaalsContact C-N 3.34Å; I573-F575 PolarHBondContact O-N 2.96Å; F575-A578 PolarHBondContact O-N 2.85Å; F575-L579 HydrophobicContact CD1-CD1 3.97Å; F575-L579 HydrophobicContact CE1-CD1 3.5Å; F575-L579 VanDerWaalsContact CE1-CD1 3.5Å; F575-L579 HydrophobicContact CE1-CG 4.36Å; F575-L579 HydrophobicContact CZ-CD1 3.9Å; F575-L579 HydrophobicContact CZ-CG 4.4Å; F575-L579 PolarHBondContact O-N 2.8Å; F575-L579 VanDerWaalsContact O-N 3.08Å |
| 576 | T | 64.5 | Low | 60.6 | Low | 86 Ų | 86 | 91.8 Ų | 91.8 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | A572 I573 A578 L579 Q580 | A572-T576 WeakPolarHBondContact O-CB 3.49Å; A572-T576 PolarHBondContact O-N 3.22Å; A572-T576 PolarHBondContact O-OG1 2.83Å; I573-T576 PolarHBondContact O-N 3.48Å; T576-A578 VanDerWaalsContact C-N 3.31Å; T576-A578 PolarHBondContact O-N 3.21Å; T576-L579 PolarHBondContact O-N 3.46Å; T576-Q580 PolarHBondContact O-N 3.25Å |
| 577 | S | 66.8 | Low | 61 | Low | 65 Ų | 65 | 89.1 Ų | 89.1 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 176.5 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | I573 H574 L581 | I573-S577 PolarHBondContact O-N 3.16Å; I573-S577 PolarHBondContact O-OG 3.13Å; H574-S577 PolarHBondContact O-N 2.79Å; S577-L581 WeakPolarHBondContact O-CG 3.46Å; S577-L581 PolarHBondContact O-N 3Å; S577-L581 VanDerWaalsContact O-N 3.09Å |
| 578 | A | 58.8 | Low | 61.4 | Low | 57 Ų | 57 | 90.9 Ų | 90.9 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | H574 F575 T576 Q580 L581 E582 | H574-A578 PolarHBondContact O-N 3.43Å; F575-A578 PolarHBondContact O-N 2.85Å; T576-A578 VanDerWaalsContact C-N 3.31Å; T576-A578 PolarHBondContact O-N 3.21Å; A578-Q580 VanDerWaalsContact C-N 3.34Å; A578-Q580 PolarHBondContact O-N 2.57Å; A578-L581 PolarHBondContact O-N 3.37Å; A578-E582 PolarHBondContact O-N 2.72Å |
| 579 | L | 62.8 | Low | 61.6 | Low | 96 Ų | 96 | 89.4 Ų | 89.4 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 174.9 | -73.7 | 174.3 | 0 | 0 | 0 | 112.5 | F575 T576 S583 | F575-L579 HydrophobicContact CD1-CD1 3.97Å; F575-L579 HydrophobicContact CE1-CD1 3.5Å; F575-L579 VanDerWaalsContact CE1-CD1 3.5Å; F575-L579 HydrophobicContact CE1-CG 4.36Å; F575-L579 HydrophobicContact CZ-CD1 3.9Å; F575-L579 HydrophobicContact CZ-CG 4.4Å; F575-L579 PolarHBondContact O-N 2.8Å; F575-L579 VanDerWaalsContact O-N 3.08Å; T576-L579 PolarHBondContact O-N 3.46Å; L579-S583 WeakPolarHBondContact O-CB 3.4Å; L579-S583 PolarHBondContact O-N 2.96Å; L579-S583 PolarHBondContact O-OG 2.97Å |
| 580 | Q | 71.1 | Confident | 61.7 | Low | 109 Ų | 109 | 91 Ų | 91 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -53.6 | 174.6 | -174.1 | 69.3 | 46.5 | 0 | 0 | 110.4 | T576 A578 E582 S583 E584 | T576-Q580 PolarHBondContact O-N 3.25Å; A578-Q580 VanDerWaalsContact C-N 3.34Å; A578-Q580 PolarHBondContact O-N 2.57Å; Q580-E582 PolarHBondContact O-N 2.87Å; Q580-S583 PolarHBondContact O-N 3.11Å; Q580-S583 VanDerWaalsContact O-N 3.16Å; Q580-S583 PolarHBondContact O-OG 3.33Å; Q580-E584 PolarHBondContact NE2-OE2 2.94Å; Q580-E584 VanDerWaalsContact NE2-OE2 3.1Å; Q580-E584 WeakPolarHBondContact O-CB 3.11Å; Q580-E584 PolarHBondContact O-N 3.35Å |
| 581 | L | 67.4 | Low | 61.7 | Low | 124 Ų | 124 | 89.8 Ų | 89.8 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.1 | -43.1 | -179.6 | -76 | 167 | 0 | 0 | 0 | 112.9 | S577 A578 S583 E584 A585 | S577-L581 WeakPolarHBondContact O-CG 3.46Å; S577-L581 PolarHBondContact O-N 3Å; S577-L581 VanDerWaalsContact O-N 3.09Å; A578-L581 PolarHBondContact O-N 3.37Å; L581-S583 VanDerWaalsContact C-N 3.33Å; L581-S583 PolarHBondContact O-N 2.71Å; L581-E584 WeakPolarHBondContact O-CB 3.47Å; L581-E584 PolarHBondContact O-N 3.44Å; L581-A585 WeakPolarHBondContact O-CB 3.33Å; L581-A585 PolarHBondContact O-N 3.4Å |
| 582 | E | 57.8 | Low | 62 | Low | 145 Ų | 145 | 92.1 Ų | 92.1 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.9 | -39.1 | 177.3 | -166.1 | 66 | -161.7 | 0 | 0 | 111.5 | A578 Q580 G586 | A578-E582 PolarHBondContact O-N 2.72Å; Q580-E582 PolarHBondContact O-N 2.87Å; E582-G586 PolarHBondContact O-N 2.92Å |
| 583 | S | 61.3 | Low | 62.5 | Low | 64 Ų | 64 | 92.9 Ų | 92.9 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -33.7 | 175.5 | 77.3 | 0 | 0 | 0 | 0 | 113.3 | L579 Q580 L581 R587 | L579-S583 WeakPolarHBondContact O-CB 3.4Å; L579-S583 PolarHBondContact O-N 2.96Å; L579-S583 PolarHBondContact O-OG 2.97Å; Q580-S583 PolarHBondContact O-N 3.11Å; Q580-S583 VanDerWaalsContact O-N 3.16Å; Q580-S583 PolarHBondContact O-OG 3.33Å; L581-S583 VanDerWaalsContact C-N 3.33Å; L581-S583 PolarHBondContact O-N 2.71Å; S583-R587 WeakPolarHBondContact O-CB 3.2Å; S583-R587 PolarHBondContact O-N 3.44Å |
| 584 | E | 62.3 | Low | 62.2 | Low | 75 Ų | 75 | 93.1 Ų | 93.1 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 175.4 | -148.3 | 81.6 | -160.6 | 0 | 0 | 110.1 | Q580 L581 R587 H588 | Q580-E584 PolarHBondContact NE2-OE2 2.94Å; Q580-E584 VanDerWaalsContact NE2-OE2 3.1Å; Q580-E584 WeakPolarHBondContact O-CB 3.11Å; Q580-E584 PolarHBondContact O-N 3.35Å; L581-E584 WeakPolarHBondContact O-CB 3.47Å; L581-E584 PolarHBondContact O-N 3.44Å; E584-R587 PolarHBondContact O-N 3.07Å; E584-R587 IonicContact OE1-CZ 2.75Å; E584-R587 IonicContact OE1-NH2 3.71Å; E584-R587 PolarHBondContact OE1-NH2 3.04Å; E584-R587 IonicContact OE2-NH2 3.34Å; E584-R587 PolarHBondContact OE2-NH2 2.75Å; E584-H588 PolarHBondContact O-N 3.38Å |
| 585 | A | 57.2 | Low | 61.8 | Low | 57 Ų | 57 | 89.1 Ų | 89.1 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L581 R587 H588 A589 | L581-A585 WeakPolarHBondContact O-CB 3.33Å; L581-A585 PolarHBondContact O-N 3.4Å; A585-R587 PolarHBondContact O-N 3.27Å; A585-H588 PolarHBondContact O-N 3.07Å; A585-A589 PolarHBondContact O-N 3.4Å |
| 586 | G | 55.9 | Low | 61.7 | Low | 31 Ų | 31 | 86.9 Ų | 86.9 | 32% | 0.32 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E582 A589 W590 | E582-G586 PolarHBondContact O-N 2.92Å; G586-A589 PolarHBondContact O-N 2.8Å; G586-W590 PolarHBondContact O-N 3.05Å |
| 587 | R | 64 | Low | 61.4 | Low | 113 Ų | 113 | 87.7 Ų | 87.7 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 174.5 | 172.8 | 163.6 | 51.1 | 86.6 | -0.1 | 111.9 | S583 E584 A585 A589 W590 E591 | S583-R587 WeakPolarHBondContact O-CB 3.2Å; S583-R587 PolarHBondContact O-N 3.44Å; E584-R587 PolarHBondContact O-N 3.07Å; E584-R587 IonicContact OE1-CZ 2.75Å; E584-R587 IonicContact OE1-NH2 3.71Å; E584-R587 PolarHBondContact OE1-NH2 3.04Å; E584-R587 IonicContact OE2-NH2 3.34Å; E584-R587 PolarHBondContact OE2-NH2 2.75Å; A585-R587 PolarHBondContact O-N 3.27Å; R587-A589 VanDerWaalsContact C-N 3.32Å; R587-A589 PolarHBondContact O-N 3.36Å; R587-W590 PolarHBondContact O-N 3.09Å; R587-E591 HydrophobicContact CG-CG 4.25Å; R587-E591 VanDerWaalsContact CG-OE1 3.28Å; R587-E591 WeakPolarHBondContact CG-OE1 3.27Å; R587-E591 IonicContact NH1-OE1 4Å; R587-E591 WeakPolarHBondContact O-CB 3.44Å; R587-E591 WeakPolarHBondContact O-CG 3.17Å; R587-E591 PolarHBondContact O-N 2.71Å |
| 588 | H | 63.8 | Low | 61 | Low | 105 Ų | 105 | 90.7 Ų | 90.7 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -34.4 | 176.6 | -95.2 | -32.6 | 0 | 0 | 0 | 113.4 | E584 A585 E591 N592 | E584-H588 PolarHBondContact O-N 3.38Å; A585-H588 PolarHBondContact O-N 3.07Å; H588-E591 IonicContact CE1-OE2 2.66Å; H588-E591 IonicContact ND1-OE2 2.73Å; H588-E591 PolarHBondContact ND1-OE2 3.42Å; H588-N592 WeakPolarHBondContact O-CB 3.34Å; H588-N592 PolarHBondContact O-N 3.16Å; H588-N592 PolarHBondContact O-ND2 3.18Å; H588-N592 VanDerWaalsContact O-ND2 3.15Å |
| 589 | A | 59.7 | Low | 60.8 | Low | 61 Ų | 61 | 92.3 Ų | 92.3 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A585 G586 R587 L593 | A585-A589 PolarHBondContact O-N 3.4Å; G586-A589 PolarHBondContact O-N 2.8Å; R587-A589 VanDerWaalsContact C-N 3.32Å; R587-A589 PolarHBondContact O-N 3.36Å; A589-L593 WeakPolarHBondContact O-CB 3.49Å; A589-L593 PolarHBondContact O-N 3.15Å |
| 590 | W | 58.2 | Low | 59.8 | Low | 129 Ų | 129 | 91 Ų | 91 | 49% | 0.489 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 174.4 | -79.3 | 107.8 | 0 | 0 | 0 | 112.9 | G586 R587 N592 L593 F594 M629 | G586-W590 PolarHBondContact O-N 3.05Å; R587-W590 PolarHBondContact O-N 3.09Å; W590-N592 VanDerWaalsContact C-N 3.33Å; W590-N592 PolarHBondContact O-N 2.91Å; W590-L593 HydrophobicContact CE3-CD2 3.97Å; W590-L593 HydrophobicContact CZ3-CD2 3.84Å; W590-L593 PolarHBondContact O-N 3.34Å; W590-F594 HydrophobicContact CB-CD2 4.5Å; W590-F594 HydrophobicContact CE3-CD2 4.35Å; W590-F594 AromaticContact CE3-CE2 3.76Å; W590-F594 HydrophobicContact CE3-CE2 3.76Å; W590-F594 HydrophobicContact CE3-CZ 4.4Å; W590-F594 HydrophobicContact CZ3-CE2 4.41Å; W590-F594 VanDerWaalsContact O-CD2 3.23Å; W590-F594 WeakPolarHBondContact O-CD2 3.46Å; W590-F594 PolarHBondContact O-N 2.97Å; W590-M629 HydrophobicContact CH2-SD 3.78Å; W590-M629 HydrophobicContact CZ3-SD 4.27Å |
| 591 | E | 63.6 | Low | 58.5 | Low | 80 Ų | 80 | 90.1 Ų | 90.1 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.5 | -76.5 | 170.7 | -176.5 | 0 | 0 | 111.5 | R587 H588 S595 | R587-E591 HydrophobicContact CG-CG 4.25Å; R587-E591 VanDerWaalsContact CG-OE1 3.28Å; R587-E591 WeakPolarHBondContact CG-OE1 3.27Å; R587-E591 IonicContact NH1-OE1 4Å; R587-E591 WeakPolarHBondContact O-CB 3.44Å; R587-E591 WeakPolarHBondContact O-CG 3.17Å; R587-E591 PolarHBondContact O-N 2.71Å; H588-E591 IonicContact CE1-OE2 2.66Å; H588-E591 IonicContact ND1-OE2 2.73Å; H588-E591 PolarHBondContact ND1-OE2 3.42Å; E591-S595 VanDerWaalsContact O-CB 3.31Å; E591-S595 WeakPolarHBondContact O-CB 3.5Å; E591-S595 PolarHBondContact O-N 3.06Å; E591-S595 PolarHBondContact O-OG 2.63Å |
| 592 | N | 59.4 | Low | 57.4 | Low | 106 Ų | 106 | 89.1 Ų | 89.1 | 57% | 0.567 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 174.2 | -79.1 | -39.4 | 0 | 0 | 0 | 112.1 | H588 W590 S595 V596 | H588-N592 WeakPolarHBondContact O-CB 3.34Å; H588-N592 PolarHBondContact O-N 3.16Å; H588-N592 PolarHBondContact O-ND2 3.18Å; H588-N592 VanDerWaalsContact O-ND2 3.15Å; W590-N592 VanDerWaalsContact C-N 3.33Å; W590-N592 PolarHBondContact O-N 2.91Å; N592-S595 WeakPolarHBondContact O-CB 3.49Å; N592-S595 PolarHBondContact O-N 3Å; N592-V596 WeakPolarHBondContact O-CG2 3.22Å; N592-V596 PolarHBondContact O-N 3.38Å |
| 593 | L | 61.7 | Low | 56.4 | Low | 68 Ų | 68 | 89 Ų | 89 | 36% | 0.356 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 177.7 | -176.1 | 64.8 | 0 | 0 | 0 | 111.8 | A589 W590 V596 L597 | A589-L593 WeakPolarHBondContact O-CB 3.49Å; A589-L593 PolarHBondContact O-N 3.15Å; W590-L593 HydrophobicContact CE3-CD2 3.97Å; W590-L593 HydrophobicContact CZ3-CD2 3.84Å; W590-L593 PolarHBondContact O-N 3.34Å; L593-V596 PolarHBondContact O-N 2.94Å; L593-L597 HydrophobicContact CD1-CD1 4.45Å; L593-L597 HydrophobicContact CG-CD1 4.07Å; L593-L597 WeakPolarHBondContact O-CB 3.41Å; L593-L597 VanDerWaalsContact O-CG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.3Å; L593-L597 PolarHBondContact O-N 3.1Å |
| 594 | F | 59.8 | Low | 55.5 | Low | 108 Ų | 108 | 94.4 Ų | 94.4 | 47% | 0.474 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 174.5 | -80.2 | -65.6 | 0 | 0 | 0 | 112.3 | W590 V596 L597 I598 | W590-F594 HydrophobicContact CB-CD2 4.5Å; W590-F594 HydrophobicContact CE3-CD2 4.35Å; W590-F594 AromaticContact CE3-CE2 3.76Å; W590-F594 HydrophobicContact CE3-CE2 3.76Å; W590-F594 HydrophobicContact CE3-CZ 4.4Å; W590-F594 HydrophobicContact CZ3-CE2 4.41Å; W590-F594 VanDerWaalsContact O-CD2 3.23Å; W590-F594 WeakPolarHBondContact O-CD2 3.46Å; W590-F594 PolarHBondContact O-N 2.97Å; F594-V596 VanDerWaalsContact C-N 3.34Å; F594-V596 PolarHBondContact O-N 2.96Å; F594-L597 PolarHBondContact O-N 3.37Å; F594-I598 HydrophobicContact CB-CD1 4.3Å; F594-I598 VanDerWaalsContact O-CB 3.29Å; F594-I598 WeakPolarHBondContact O-CB 3.21Å; F594-I598 WeakPolarHBondContact O-CG1 3.33Å; F594-I598 PolarHBondContact O-N 3.45Å |
| 595 | S | 60.1 | Low | 54 | Low | 58 Ų | 58 | 100.8 Ų | 100.8 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 175.3 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | E591 N592 N599 | E591-S595 VanDerWaalsContact O-CB 3.31Å; E591-S595 WeakPolarHBondContact O-CB 3.5Å; E591-S595 PolarHBondContact O-N 3.06Å; E591-S595 PolarHBondContact O-OG 2.63Å; N592-S595 WeakPolarHBondContact O-CB 3.49Å; N592-S595 PolarHBondContact O-N 3Å; S595-N599 WeakPolarHBondContact O-CB 3.33Å; S595-N599 PolarHBondContact O-N 2.67Å; S595-N599 VanDerWaalsContact O-N 3.09Å |
| 596 | V | 60.6 | Low | 53 | Low | 87 Ų | 87 | 102.2 Ų | 102.2 | 53% | 0.527 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | N592 L593 F594 I598 G600 | N592-V596 WeakPolarHBondContact O-CG2 3.22Å; N592-V596 PolarHBondContact O-N 3.38Å; L593-V596 PolarHBondContact O-N 2.94Å; F594-V596 VanDerWaalsContact C-N 3.34Å; F594-V596 PolarHBondContact O-N 2.96Å; V596-I598 PolarHBondContact O-N 2.78Å; V596-G600 PolarHBondContact O-N 3.37Å |
| 597 | L | 56.8 | Low | 52 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.1 | -32.2 | -179.7 | -73.4 | 169 | 0 | 0 | 0 | 114 | L593 F594 | L593-L597 HydrophobicContact CD1-CD1 4.45Å; L593-L597 HydrophobicContact CG-CD1 4.07Å; L593-L597 WeakPolarHBondContact O-CB 3.41Å; L593-L597 VanDerWaalsContact O-CG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.3Å; L593-L597 PolarHBondContact O-N 3.1Å; F594-L597 PolarHBondContact O-N 3.37Å |
| 598 | I | 58.8 | Low | 50.8 | Low | 128 Ų | 128 | 111.2 Ų | 111.2 | 66% | 0.656 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -86.9 | -43.7 | -176.9 | -68.1 | 167.3 | 0 | 0 | 0 | 111.6 | F594 V596 | F594-I598 HydrophobicContact CB-CD1 4.3Å; F594-I598 VanDerWaalsContact O-CB 3.29Å; F594-I598 WeakPolarHBondContact O-CB 3.21Å; F594-I598 WeakPolarHBondContact O-CG1 3.33Å; F594-I598 PolarHBondContact O-N 3.45Å; V596-I598 PolarHBondContact O-N 2.78Å |
| 599 | N | 54.3 | Low | 49.4 | Very low | 91 Ų | 91 | 109.8 Ų | 109.8 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -83.7 | -27.1 | -171.8 | -65.6 | -14.1 | 0 | 0 | 0 | 113 | S595 T601 | S595-N599 WeakPolarHBondContact O-CB 3.33Å; S595-N599 PolarHBondContact O-N 2.67Å; S595-N599 VanDerWaalsContact O-N 3.09Å; N599-T601 PolarHBondContact O-N 2.88Å |
| 600 | G | 42.7 | Very low | 48.5 | Very low | 69 Ų | 69 | 111.8 Ų | 111.8 | 71% | 0.711 | 59% | 0.592 | S | S | * | * | trans | 67.2 | -10.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | V596 | V596-G600 PolarHBondContact O-N 3.37Š| ||
| 601 | T | 43.9 | Very low | 47.6 | Very low | 90 Ų | 90 | 107.4 Ų | 107.4 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -127.6 | 131.1 | 176.7 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | N599 D603 | N599-T601 PolarHBondContact O-N 2.88Å; T601-D603 PolarHBondContact O-N 2.98Å |
| 602 | I | 44 | Very low | 46.3 | Very low | 104 Ų | 104 | 106.8 Ų | 106.8 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | trans | -89.9 | 88.4 | 170.7 | -56.5 | -177.4 | 0 | 0 | 0 | 108.1 | K604 L612 | I602-K604 PolarHBondContact O-N 3.19Å; I602-L612 HydrophobicContact CD1-CD1 3.86Å; I602-L612 HydrophobicContact CD1-CD2 3.86Å; I602-L612 HydrophobicContact CD1-CG 4.46Å | ||
| 603 | D | 36.2 | Very low | 45.7 | Very low | 141 Ų | 141 | 107.2 Ų | 107.2 | 75% | 0.754 | 59% | 0.588 | S | S | * | * | trans | -74.1 | 63.1 | 176.7 | -83.4 | -34.8 | 0 | 0 | 0 | 112.8 | T601 | T601-D603 PolarHBondContact O-N 2.98Š| ||
| 604 | K | 42.2 | Very low | 45 | Very low | 178 Ų | 178 | 107.1 Ų | 107.1 | 77% | 0.774 | 59% | 0.587 | S | S | * | * | trans | -165.5 | 119.1 | 154.1 | -100.5 | 134.8 | -168.3 | 171.5 | 0 | 110.8 | I602 S606 | I602-K604 PolarHBondContact O-N 3.19Å; K604-S606 PolarHBondContact O-N 2.91Å | ||
| 605 | K | 31 | Very low | 44.2 | Very low | 209 Ų | 209 | 106.6 Ų | 106.6 | 91% | 0.909 | 59% | 0.589 | S | S | * | * | trans | -72 | 106.3 | 169.4 | -68.3 | 179.5 | 177.7 | 178.7 | 0 | 110.3 | ||||
| 606 | S | 36.4 | Very low | 43.4 | Very low | 88 Ų | 88 | 110.2 Ų | 110.2 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | trans | -126.6 | 116.9 | 161.2 | 51.6 | 0 | 0 | 0 | 0 | 108.3 | K604 E608 | K604-S606 PolarHBondContact O-N 2.91Å; S606-E608 PolarHBondContact O-N 3.11Å | ||
| 607 | N | 35 | Very low | 42.7 | Very low | 156 Ų | 156 | 109.6 Ų | 109.6 | 83% | 0.834 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 37.3 | -157 | -61.5 | -16.4 | 0 | 0 | 0 | 115.5 | ||
| 608 | E | 37.7 | Very low | 42.2 | Very low | 177 Ų | 177 | 112.7 Ų | 112.7 | 83% | 0.827 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | 3.4 | -171.7 | -65.1 | -175.5 | 130 | 0 | 0 | 114.4 | S606 I610 | S606-E608 PolarHBondContact O-N 3.11Å; E608-I610 VanDerWaalsContact C-N 3.26Å; E608-I610 PolarHBondContact O-N 2.9Å |
| 609 | S | 36 | Very low | 41.6 | Very low | 74 Ų | 74 | 109.9 Ų | 109.9 | 52% | 0.517 | 59% | 0.594 | S | S | . | * | trans | -79.5 | 52.6 | -172.1 | 65.5 | 0 | 0 | 0 | 0 | 115.4 | G611 L612 | S609-G611 PolarHBondContact O-N 3.29Å; S609-L612 PolarHBondContact O-N 3.32Å | ||
| 610 | I | 39.7 | Very low | 41.4 | Very low | 103 Ų | 103 | 113.9 Ų | 113.9 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | -17.2 | 172.2 | -72.1 | 173.5 | 0 | 0 | 0 | 112.4 | E608 A919 | E608-I610 VanDerWaalsContact C-N 3.26Å; E608-I610 PolarHBondContact O-N 2.9Å; I610-A919 HydrophobicContact CG2-CB 3.84Å |
| 611 | G | 39.1 | Very low | 41.7 | Very low | 38 Ų | 38 | 114.6 Ų | 114.6 | 39% | 0.392 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.5 | -16.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | S609 I614 I615 | S609-G611 PolarHBondContact O-N 3.29Å; G611-I614 PolarHBondContact O-N 3.13Å; G611-I615 WeakPolarHBondContact O-CG1 3.35Å; G611-I615 PolarHBondContact O-N 2.95Å |
| 612 | L | 37.2 | Very low | 42 | Very low | 66 Ų | 66 | 113.9 Ų | 113.9 | 35% | 0.346 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.2 | -47.5 | -170.7 | -122.8 | 85.1 | 0 | 0 | 0 | 113 | I602 S609 I614 I615 E616 | I602-L612 HydrophobicContact CD1-CD1 3.86Å; I602-L612 HydrophobicContact CD1-CD2 3.86Å; I602-L612 HydrophobicContact CD1-CG 4.46Å; S609-L612 PolarHBondContact O-N 3.32Å; L612-I614 PolarHBondContact O-N 3.47Å; L612-I615 CarbonylContact O-C 3.54Å; L612-I615 WeakPolarHBondContact O-CA 3.4Å; L612-I615 WeakPolarHBondContact O-CB 3.35Å; L612-I615 PolarHBondContact O-N 3.46Å; L612-E616 PolarHBondContact O-N 2.75Å |
| 613 | D | 46.5 | Very low | 42.6 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 62% | 0.615 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -57.8 | -35 | 177.2 | -55 | -15.2 | 0 | 0 | 0 | 111.5 | I615 A617 | D613-I615 VanDerWaalsContact C-N 3.32Å; D613-A617 WeakPolarHBondContact O-CB 3.3Å; D613-A617 PolarHBondContact O-N 2.88Å |
| 614 | I | 47.6 | Very low | 43.6 | Very low | 66 Ų | 66 | 117.5 Ų | 117.5 | 34% | 0.338 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69 | -32 | 176.4 | -60.6 | 176.3 | 0 | 0 | 0 | 111 | G611 L612 R618 | G611-I614 PolarHBondContact O-N 3.13Å; L612-I614 PolarHBondContact O-N 3.47Å; I614-R618 VanDerWaalsContact O-CB 3.29Å; I614-R618 WeakPolarHBondContact O-CB 3.39Å; I614-R618 VanDerWaalsContact O-CD 3.26Å; I614-R618 WeakPolarHBondContact O-CD 3.32Å; I614-R618 WeakPolarHBondContact O-CG 3.23Å; I614-R618 PolarHBondContact O-N 3.16Å |
| 615 | I | 43.1 | Very low | 44 | Very low | 97 Ų | 97 | 112.9 Ų | 112.9 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.9 | -45.8 | 176.9 | -69.8 | 165.6 | 0 | 0 | 0 | 110.4 | G611 L612 D613 R618 L619 | G611-I615 WeakPolarHBondContact O-CG1 3.35Å; G611-I615 PolarHBondContact O-N 2.95Å; L612-I615 CarbonylContact O-C 3.54Å; L612-I615 WeakPolarHBondContact O-CA 3.4Å; L612-I615 WeakPolarHBondContact O-CB 3.35Å; L612-I615 PolarHBondContact O-N 3.46Å; D613-I615 VanDerWaalsContact C-N 3.32Å; I615-R618 PolarHBondContact O-N 3.36Å; I615-L619 HydrophobicContact CG2-CD1 3.75Å; I615-L619 HydrophobicContact CG2-CG 4.26Å; I615-L619 WeakPolarHBondContact O-CB 3.44Å; I615-L619 VanDerWaalsContact O-CG 3.32Å; I615-L619 WeakPolarHBondContact O-CG 3.34Å; I615-L619 PolarHBondContact O-N 3.01Å |
| 616 | E | 42.5 | Very low | 45.6 | Very low | 134 Ų | 134 | 108 Ų | 108 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.3 | -45.2 | 175.1 | -68.4 | -161.4 | 137.3 | 0 | 0 | 112 | L612 R618 L619 H620 | L612-E616 PolarHBondContact O-N 2.75Å; E616-R618 PolarHBondContact O-N 2.92Å; E616-L619 PolarHBondContact O-N 2.76Å; E616-H620 PolarHBondContact O-N 3.08Å; E616-H620 VanDerWaalsContact O-N 3.13Å |
| 617 | A | 45.4 | Very low | 47.1 | Very low | 74 Ų | 74 | 109.7 Ų | 109.7 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.3 | -24.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D613 | D613-A617 WeakPolarHBondContact O-CB 3.3Å; D613-A617 PolarHBondContact O-N 2.88Å |
| 618 | R | 46.7 | Very low | 48.3 | Very low | 169 Ų | 169 | 104.4 Ų | 104.4 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -86.9 | -32.7 | 173.7 | -74.1 | 172.3 | -174.6 | -166.8 | 3.2 | 112.9 | I614 I615 E616 H620 | I614-R618 VanDerWaalsContact O-CB 3.29Å; I614-R618 WeakPolarHBondContact O-CB 3.39Å; I614-R618 VanDerWaalsContact O-CD 3.26Å; I614-R618 WeakPolarHBondContact O-CD 3.32Å; I614-R618 WeakPolarHBondContact O-CG 3.23Å; I614-R618 PolarHBondContact O-N 3.16Å; I615-R618 PolarHBondContact O-N 3.36Å; E616-R618 PolarHBondContact O-N 2.92Å; R618-H620 PolarHBondContact O-N 2.73Å |
| 619 | L | 47.2 | Very low | 49.7 | Very low | 69 Ų | 69 | 97.8 Ų | 97.8 | 36% | 0.361 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -18.5 | 173.6 | -77.4 | 170 | 0 | 0 | 0 | 112.6 | I615 E616 N621 V622 | I615-L619 HydrophobicContact CG2-CD1 3.75Å; I615-L619 HydrophobicContact CG2-CG 4.26Å; I615-L619 WeakPolarHBondContact O-CB 3.44Å; I615-L619 VanDerWaalsContact O-CG 3.32Å; I615-L619 WeakPolarHBondContact O-CG 3.34Å; I615-L619 PolarHBondContact O-N 3.01Å; E616-L619 PolarHBondContact O-N 2.76Å; L619-N621 CarbonylContact O-C 3.6Å; L619-N621 PolarHBondContact O-N 3.37Å; L619-V622 WeakPolarHBondContact O-CG2 3.24Å; L619-V622 PolarHBondContact O-N 3.17Å; L619-V622 VanDerWaalsContact O-N 3.11Å |
| 620 | H | 48.7 | Very low | 51.2 | Low | 175 Ų | 175 | 96.7 Ų | 96.7 | 81% | 0.81 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -4.6 | 174.8 | -134 | -52.8 | 0 | 0 | 0 | 115.1 | E616 R618 | E616-H620 PolarHBondContact O-N 3.08Å; E616-H620 VanDerWaalsContact O-N 3.13Å; R618-H620 PolarHBondContact O-N 2.73Å |
| 621 | N | 50 | Low | 52.7 | Low | 83 Ų | 83 | 96.1 Ų | 96.1 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 67.2 | 165.5 | -161.6 | -34 | 0 | 0 | 0 | 111.2 | L619 D623 R624 F625 | L619-N621 CarbonylContact O-C 3.6Å; L619-N621 PolarHBondContact O-N 3.37Å; N621-D623 PolarHBondContact O-N 3.25Å; N621-R624 HydrophobicContact CB-CB 4.13Å; N621-R624 WeakPolarHBondContact O-CB 3.48Å; N621-R624 PolarHBondContact O-N 3.04Å; N621-R624 VanDerWaalsContact OD1-CB 3.29Å; N621-R624 WeakPolarHBondContact OD1-CB 3.31Å; N621-R624 PolarHBondContact OD1-N 2.59Å; N621-R624 VanDerWaalsContact OD1-N 3.15Å; N621-F625 PolarHBondContact O-N 2.79Å |
| 622 | V | 50.4 | Low | 54.2 | Low | 76 Ų | 76 | 98.1 Ų | 98.1 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -49.6 | -41.2 | 178.6 | 179 | 0 | 0 | 0 | 0 | 112.4 | L619 R624 F625 F626 | L619-V622 WeakPolarHBondContact O-CG2 3.24Å; L619-V622 PolarHBondContact O-N 3.17Å; L619-V622 VanDerWaalsContact O-N 3.11Å; V622-R624 VanDerWaalsContact C-N 3.3Å; V622-R624 PolarHBondContact O-N 3.14Å; V622-F625 PolarHBondContact O-N 2.94Å; V622-F626 HydrophobicContact CG1-CD2 3.56Å; V622-F626 HydrophobicContact CG1-CE2 3.4Å; V622-F626 VanDerWaalsContact CG1-CE2 3.4Å; V622-F626 WeakPolarHBondContact O-CD2 3.38Å; V622-F626 PolarHBondContact O-N 3.25Å |
| 623 | D | 55.9 | Low | 56 | Low | 134 Ų | 134 | 98.8 Ų | 98.8 | 72% | 0.717 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.5 | -38.9 | 175.7 | -72.6 | -54.7 | 0 | 0 | 0 | 112.8 | N621 K627 | N621-D623 PolarHBondContact O-N 3.25Å; D623-K627 WeakPolarHBondContact O-CB 3.28Å; D623-K627 PolarHBondContact O-N 3.17Å |
| 624 | R | 56.9 | Low | 57.3 | Low | 186 Ų | 186 | 95 Ų | 95 | 70% | 0.702 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.7 | -32.5 | 178.9 | -162.7 | 177.2 | -164.4 | -177.4 | 4.9 | 112 | N621 V622 A628 | N621-R624 HydrophobicContact CB-CB 4.13Å; N621-R624 WeakPolarHBondContact O-CB 3.48Å; N621-R624 PolarHBondContact O-N 3.04Å; N621-R624 VanDerWaalsContact OD1-CB 3.29Å; N621-R624 WeakPolarHBondContact OD1-CB 3.31Å; N621-R624 PolarHBondContact OD1-N 2.59Å; N621-R624 VanDerWaalsContact OD1-N 3.15Å; V622-R624 VanDerWaalsContact C-N 3.3Å; V622-R624 PolarHBondContact O-N 3.14Å; R624-A628 WeakPolarHBondContact O-CB 3.26Å; R624-A628 PolarHBondContact O-N 2.72Å |
| 625 | F | 51.6 | Low | 58.3 | Low | 81 Ų | 81 | 98.1 Ų | 98.1 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69 | -49 | 171.9 | 178.3 | -110.3 | 0 | 0 | 0 | 111.5 | N621 V622 K627 A628 M629 | N621-F625 PolarHBondContact O-N 2.79Å; V622-F625 PolarHBondContact O-N 2.94Å; F625-K627 VanDerWaalsContact C-N 3.28Å; F625-K627 PolarHBondContact O-N 2.58Å; F625-A628 PolarHBondContact O-N 3.43Å; F625-M629 HydrophobicContact CD1-CE 3.83Å; F625-M629 HydrophobicContact CD1-SD 4.31Å; F625-M629 HydrophobicContact CE1-CE 3.4Å; F625-M629 HydrophobicContact CE1-CG 4.16Å; F625-M629 HydrophobicContact CE1-SD 3.5Å; F625-M629 WeakPolarHBondContact CE1-SD 3.46Å; F625-M629 HydrophobicContact CE2-CG 4.12Å; F625-M629 HydrophobicContact CE2-SD 4.25Å; F625-M629 HydrophobicContact CZ-CE 4.03Å; F625-M629 HydrophobicContact CZ-CG 3.92Å; F625-M629 HydrophobicContact CZ-SD 3.45Å; F625-M629 WeakPolarHBondContact CZ-SD 3.45Å; F625-M629 PolarHBondContact O-N 2.92Å |
| 626 | F | 63.5 | Low | 59.7 | Low | 107 Ų | 107 | 99 Ų | 99 | 47% | 0.469 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 174.2 | -79.2 | -60.9 | 0 | 0 | 0 | 112.5 | V622 M629 N630 | V622-F626 HydrophobicContact CG1-CD2 3.56Å; V622-F626 HydrophobicContact CG1-CE2 3.4Å; V622-F626 VanDerWaalsContact CG1-CE2 3.4Å; V622-F626 WeakPolarHBondContact O-CD2 3.38Å; V622-F626 PolarHBondContact O-N 3.25Å; F626-M629 HydrophobicContact CD1-CE 3.34Å; F626-M629 HydrophobicContact CE1-CE 3.54Å; F626-M629 HydrophobicContact CG-CE 4.31Å; F626-N630 WeakPolarHBondContact O-CB 3.13Å; F626-N630 PolarHBondContact O-N 3.35Å; F626-N630 PolarHBondContact O-ND2 3.07Å |
| 627 | K | 67.8 | Low | 61.3 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 173.9 | -171.3 | 172.4 | -175.9 | -65.8 | 0 | 111.9 | D623 F625 N630 E631 | D623-K627 WeakPolarHBondContact O-CB 3.28Å; D623-K627 PolarHBondContact O-N 3.17Å; F625-K627 VanDerWaalsContact C-N 3.28Å; F625-K627 PolarHBondContact O-N 2.58Å; K627-N630 PolarHBondContact O-N 2.96Å; K627-E631 IonicContact NZ-OE1 2.71Å; K627-E631 PolarHBondContact NZ-OE1 3.15Å; K627-E631 WeakPolarHBondContact O-CG 3.37Å; K627-E631 PolarHBondContact O-N 2.79Å |
| 628 | A | 61.1 | Low | 62.7 | Low | 44 Ų | 44 | 96.2 Ų | 96.2 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R624 F625 E631 V632 | R624-A628 WeakPolarHBondContact O-CB 3.26Å; R624-A628 PolarHBondContact O-N 2.72Å; F625-A628 PolarHBondContact O-N 3.43Å; A628-E631 PolarHBondContact O-N 2.8Å; A628-V632 WeakPolarHBondContact O-CG2 3.08Å; A628-V632 PolarHBondContact O-N 3.33Å |
| 629 | M | 65.9 | Low | 63.8 | Low | 38 Ų | 38 | 90.3 Ų | 90.3 | 19% | 0.187 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 174.7 | -72.2 | -160.9 | -60 | 0 | 0 | 112.1 | W590 F625 F626 E631 V632 I633 | W590-M629 HydrophobicContact CH2-SD 3.78Å; W590-M629 HydrophobicContact CZ3-SD 4.27Å; F625-M629 HydrophobicContact CD1-CE 3.83Å; F625-M629 HydrophobicContact CD1-SD 4.31Å; F625-M629 HydrophobicContact CE1-CE 3.4Å; F625-M629 HydrophobicContact CE1-CG 4.16Å; F625-M629 HydrophobicContact CE1-SD 3.5Å; F625-M629 WeakPolarHBondContact CE1-SD 3.46Å; F625-M629 HydrophobicContact CE2-CG 4.12Å; F625-M629 HydrophobicContact CE2-SD 4.25Å; F625-M629 HydrophobicContact CZ-CE 4.03Å; F625-M629 HydrophobicContact CZ-CG 3.92Å; F625-M629 HydrophobicContact CZ-SD 3.45Å; F625-M629 WeakPolarHBondContact CZ-SD 3.45Å; F625-M629 PolarHBondContact O-N 2.92Å; F626-M629 HydrophobicContact CD1-CE 3.34Å; F626-M629 HydrophobicContact CE1-CE 3.54Å; F626-M629 HydrophobicContact CG-CE 4.31Å; M629-E631 PolarHBondContact O-N 2.83Å; M629-V632 PolarHBondContact O-N 3.42Å; M629-I633 WeakPolarHBondContact O-CB 3.28Å; M629-I633 WeakPolarHBondContact O-CD1 3.42Å; M629-I633 WeakPolarHBondContact O-CG1 3.28Å; M629-I633 PolarHBondContact O-N 2.94Å |
| 630 | N | 68.6 | Low | 65 | Low | 51 Ų | 51 | 92.2 Ų | 92.2 | 27% | 0.273 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 174.5 | -82.9 | -73.7 | 0 | 0 | 0 | 111 | F626 K627 V632 I633 V634 I894 | F626-N630 WeakPolarHBondContact O-CB 3.13Å; F626-N630 PolarHBondContact O-N 3.35Å; F626-N630 PolarHBondContact O-ND2 3.07Å; K627-N630 PolarHBondContact O-N 2.96Å; N630-V632 PolarHBondContact O-N 3.29Å; N630-I633 PolarHBondContact O-N 2.94Å; N630-V634 PolarHBondContact O-N 2.92Å; N630-I894 HydrophobicContact CB-CD1 3.91Å; N630-I894 HydrophobicContact CB-CG1 4.29Å; N630-I894 VanDerWaalsContact O-CD1 3.22Å; N630-I894 WeakPolarHBondContact O-CD1 3.36Å |
| 631 | E | 71.3 | Confident | 66.1 | Low | 92 Ų | 92 | 87 Ų | 87 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 178.8 | -77.1 | 168 | -174.1 | 0 | 0 | 111.5 | K627 A628 M629 V634 E635 I894 | K627-E631 IonicContact NZ-OE1 2.71Å; K627-E631 PolarHBondContact NZ-OE1 3.15Å; K627-E631 WeakPolarHBondContact O-CG 3.37Å; K627-E631 PolarHBondContact O-N 2.79Å; A628-E631 PolarHBondContact O-N 2.8Å; M629-E631 PolarHBondContact O-N 2.83Å; E631-V634 PolarHBondContact O-N 3.24Å; E631-E635 PolarHBondContact O-N 3.11Å; E631-I894 HydrophobicContact CG-CD1 4.1Å |
| 632 | V | 70.7 | Confident | 67 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | A628 M629 N630 V634 E635 L636 | A628-V632 WeakPolarHBondContact O-CG2 3.08Å; A628-V632 PolarHBondContact O-N 3.33Å; M629-V632 PolarHBondContact O-N 3.42Å; N630-V632 PolarHBondContact O-N 3.29Å; V632-V634 VanDerWaalsContact C-N 3.27Å; V632-V634 PolarHBondContact O-N 3.35Å; V632-E635 PolarHBondContact O-N 3.41Å; V632-L636 WeakPolarHBondContact O-CB 3.3Å; V632-L636 PolarHBondContact O-N 2.9Å |
| 633 | I | 74.8 | Confident | 67.9 | Low | 80 Ų | 80 | 94.4 Ų | 94.4 | 41% | 0.41 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 179 | -74.8 | 164.5 | 0 | 0 | 0 | 111.3 | M629 N630 T637 | M629-I633 WeakPolarHBondContact O-CB 3.28Å; M629-I633 WeakPolarHBondContact O-CD1 3.42Å; M629-I633 WeakPolarHBondContact O-CG1 3.28Å; M629-I633 PolarHBondContact O-N 2.94Å; N630-I633 PolarHBondContact O-N 2.94Å; I633-T637 WeakPolarHBondContact O-CB 3.02Å; I633-T637 PolarHBondContact O-N 3.18Å; I633-T637 PolarHBondContact O-OG1 2.98Å |
| 634 | V | 73 | Confident | 68.8 | Low | 36 Ų | 36 | 91.7 Ų | 91.7 | 22% | 0.218 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -80 | -35.3 | -179.4 | 170.4 | 0 | 0 | 0 | 0 | 112.4 | N630 E631 V632 L636 T637 N638 I894 | N630-V634 PolarHBondContact O-N 2.92Å; E631-V634 PolarHBondContact O-N 3.24Å; V632-V634 VanDerWaalsContact C-N 3.27Å; V632-V634 PolarHBondContact O-N 3.35Å; V634-L636 VanDerWaalsContact C-N 3.31Å; V634-L636 PolarHBondContact O-N 2.99Å; V634-T637 PolarHBondContact O-N 3.04Å; V634-N638 WeakPolarHBondContact O-CB 3.47Å; V634-N638 PolarHBondContact O-N 2.85Å; V634-N638 PolarHBondContact O-ND2 2.98Å; V634-I894 HydrophobicContact CB-CB 4.41Å; V634-I894 HydrophobicContact CB-CD1 3.93Å; V634-I894 HydrophobicContact CB-CG1 4.36Å; V634-I894 HydrophobicContact CG1-CB 4.34Å; V634-I894 HydrophobicContact CG1-CG2 4.4Å; V634-I894 HydrophobicContact CG2-CB 3.9Å; V634-I894 HydrophobicContact CG2-CD1 3.74Å; V634-I894 HydrophobicContact CG2-CG1 3.72Å |
| 635 | E | 69.8 | Low | 69.4 | Low | 131 Ų | 131 | 85.7 Ų | 85.7 | 61% | 0.612 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 172 | -162.6 | 154.5 | -156.6 | 0 | 0 | 111 | E631 V632 N638 A639 | E631-E635 PolarHBondContact O-N 3.11Å; V632-E635 PolarHBondContact O-N 3.41Å; E635-N638 PolarHBondContact O-N 3.34Å; E635-A639 PolarHBondContact O-N 3.42Å |
| 636 | L | 72 | Confident | 70 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 61% | 0.607 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 171.3 | -155.9 | 90.2 | 0 | 0 | 0 | 112.7 | V632 V634 A639 L640 | V632-L636 WeakPolarHBondContact O-CB 3.3Å; V632-L636 PolarHBondContact O-N 2.9Å; V634-L636 VanDerWaalsContact C-N 3.31Å; V634-L636 PolarHBondContact O-N 2.99Å; L636-A639 PolarHBondContact O-N 3.26Å; L636-L640 WeakPolarHBondContact O-CB 3.44Å; L636-L640 PolarHBondContact O-N 3.5Å |
| 637 | T | 75.2 | Confident | 70.4 | Confident | 64 Ų | 64 | 87.5 Ų | 87.5 | 39% | 0.393 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | I633 V634 L640 N641 | I633-T637 WeakPolarHBondContact O-CB 3.02Å; I633-T637 PolarHBondContact O-N 3.18Å; I633-T637 PolarHBondContact O-OG1 2.98Å; V634-T637 PolarHBondContact O-N 3.04Å; T637-L640 PolarHBondContact O-N 3.44Å; T637-N641 VanDerWaalsContact O-CG 3.31Å; T637-N641 PolarHBondContact O-N 3.18Å; T637-N641 PolarHBondContact O-ND2 2.93Å; T637-N641 VanDerWaalsContact O-ND2 3.17Å |
| 638 | N | 76.4 | Confident | 70.7 | Confident | 85 Ų | 85 | 84.9 Ų | 84.9 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 175.5 | -68.5 | -19.8 | 0 | 0 | 0 | 110.9 | V634 E635 L640 N641 E642 | V634-N638 WeakPolarHBondContact O-CB 3.47Å; V634-N638 PolarHBondContact O-N 2.85Å; V634-N638 PolarHBondContact O-ND2 2.98Å; E635-N638 PolarHBondContact O-N 3.34Å; N638-L640 VanDerWaalsContact C-N 3.27Å; N638-L640 PolarHBondContact O-N 3.02Å; N638-N641 PolarHBondContact O-N 2.92Å; N638-E642 WeakPolarHBondContact O-CG 3.15Å; N638-E642 PolarHBondContact O-N 3.22Å |
| 639 | A | 69.6 | Low | 71.1 | Confident | 45 Ų | 45 | 86.6 Ų | 86.6 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.6 | -31.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E635 L636 R643 | E635-A639 PolarHBondContact O-N 3.42Å; L636-A639 PolarHBondContact O-N 3.26Å; A639-R643 WeakPolarHBondContact O-CG 3.35Å; A639-R643 PolarHBondContact O-N 3.5Å; A639-R643 VanDerWaalsContact O-N 3.16Å |
| 640 | L | 70.9 | Confident | 71 | Confident | 109 Ų | 109 | 88.6 Ų | 88.6 | 57% | 0.571 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.6 | -40.3 | 171.7 | -97.9 | 165.3 | 0 | 0 | 0 | 112.5 | L636 T637 N638 K644 | L636-L640 WeakPolarHBondContact O-CB 3.44Å; L636-L640 PolarHBondContact O-N 3.5Å; T637-L640 PolarHBondContact O-N 3.44Å; N638-L640 VanDerWaalsContact C-N 3.27Å; N638-L640 PolarHBondContact O-N 3.02Å; L640-K644 WeakPolarHBondContact O-CB 3.28Å; L640-K644 PolarHBondContact O-N 3.38Å; L640-K644 VanDerWaalsContact O-N 3.11Å |
| 641 | N | 71.7 | Confident | 71.2 | Confident | 66 Ų | 66 | 90.6 Ų | 90.6 | 35% | 0.353 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 176.7 | -69.9 | -33.1 | 0 | 0 | 0 | 111.9 | T637 N638 K644 E645 | T637-N641 VanDerWaalsContact O-CG 3.31Å; T637-N641 PolarHBondContact O-N 3.18Å; T637-N641 PolarHBondContact O-ND2 2.93Å; T637-N641 VanDerWaalsContact O-ND2 3.17Å; N638-N641 PolarHBondContact O-N 2.92Å; N641-K644 WeakPolarHBondContact O-CB 3.25Å; N641-K644 PolarHBondContact O-N 3.06Å; N641-K644 VanDerWaalsContact O-N 3.16Å; N641-E645 PolarHBondContact O-N 2.69Å |
| 642 | E | 69.6 | Low | 71.2 | Confident | 132 Ų | 132 | 90.3 Ų | 90.3 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.9 | -48.6 | 175.7 | -71.6 | 175.9 | 176.5 | 0 | 0 | 111.5 | N638 K644 E645 D646 | N638-E642 WeakPolarHBondContact O-CG 3.15Å; N638-E642 PolarHBondContact O-N 3.22Å; E642-K644 PolarHBondContact O-N 3.36Å; E642-E645 PolarHBondContact O-N 3.4Å; E642-D646 PolarHBondContact O-N 2.98Å |
| 643 | R | 70.5 | Confident | 70.9 | Confident | 183 Ų | 183 | 93.3 Ų | 93.3 | 69% | 0.691 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.4 | -31.5 | 174.1 | -77.4 | -177.5 | 177.1 | 177.9 | 2 | 113.3 | A639 L647 | A639-R643 WeakPolarHBondContact O-CG 3.35Å; A639-R643 PolarHBondContact O-N 3.5Å; A639-R643 VanDerWaalsContact O-N 3.16Å; R643-L647 WeakPolarHBondContact O-CB 3.19Å; R643-L647 PolarHBondContact O-N 2.91Å |
| 644 | K | 73.9 | Confident | 70.4 | Confident | 76 Ų | 76 | 90.5 Ų | 90.5 | 33% | 0.33 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.7 | -42.2 | 177.7 | -171 | 173.3 | -174.6 | 164.8 | 0 | 111.2 | L640 N641 E642 L647 T648 L1177 | L640-K644 WeakPolarHBondContact O-CB 3.28Å; L640-K644 PolarHBondContact O-N 3.38Å; L640-K644 VanDerWaalsContact O-N 3.11Å; N641-K644 WeakPolarHBondContact O-CB 3.25Å; N641-K644 PolarHBondContact O-N 3.06Å; N641-K644 VanDerWaalsContact O-N 3.16Å; E642-K644 PolarHBondContact O-N 3.36Å; K644-L647 PolarHBondContact O-N 2.87Å; K644-T648 WeakPolarHBondContact O-CB 3.37Å; K644-T648 PolarHBondContact O-N 3.35Å; K644-T648 PolarHBondContact O-OG1 3.24Å; K644-L1177 PolarHBondContact NZ-O 3.33Å |
| 645 | E | 69.3 | Low | 70 | Confident | 61 Ų | 61 | 91.4 Ų | 91.4 | 29% | 0.285 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 173.7 | -173.3 | 166.2 | 177.6 | 0 | 0 | 111.1 | N641 E642 L647 T648 N649 A1181 | N641-E645 PolarHBondContact O-N 2.69Å; E642-E645 PolarHBondContact O-N 3.4Å; E645-L647 PolarHBondContact O-N 3.29Å; E645-T648 PolarHBondContact O-N 3.06Å; E645-N649 WeakPolarHBondContact O-CB 3.23Å; E645-N649 VanDerWaalsContact O-CG 3.24Å; E645-N649 PolarHBondContact O-N 3.4Å; E645-N649 PolarHBondContact O-ND2 3.16Å; E645-N649 VanDerWaalsContact O-ND2 3.14Å; E645-A1181 HydrophobicContact CG-CB 4.13Å; E645-A1181 WeakPolarHBondContact OE1-CB 3.39Å; E645-A1181 WeakPolarHBondContact OE2-CB 3.44Å |
| 646 | D | 65 | Low | 69.5 | Low | 116 Ų | 116 | 92.4 Ų | 92.4 | 62% | 0.62 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.3 | -46.3 | 174.5 | -89.6 | -16.4 | 0 | 0 | 0 | 112.9 | E642 N649 S650 | E642-D646 PolarHBondContact O-N 2.98Å; D646-N649 PolarHBondContact O-N 2.94Å; D646-S650 WeakPolarHBondContact O-CB 3.38Å; D646-S650 PolarHBondContact O-N 3.11Å |
| 647 | L | 72.1 | Confident | 68.9 | Low | 110 Ų | 110 | 90.9 Ų | 90.9 | 58% | 0.576 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 178.7 | -177.5 | 61.3 | 0 | 0 | 0 | 111.6 | R643 K644 E645 S650 I651 | R643-L647 WeakPolarHBondContact O-CB 3.19Å; R643-L647 PolarHBondContact O-N 2.91Å; K644-L647 PolarHBondContact O-N 2.87Å; E645-L647 PolarHBondContact O-N 3.29Å; L647-S650 PolarHBondContact O-N 3.04Å; L647-I651 HydrophobicContact CD1-CD1 4.3Å; L647-I651 HydrophobicContact CG-CD1 4.12Å; L647-I651 VanDerWaalsContact O-CG1 3.32Å; L647-I651 WeakPolarHBondContact O-CG1 3.34Å; L647-I651 PolarHBondContact O-N 3.45Å |
| 648 | T | 72.5 | Confident | 68.3 | Low | 68 Ų | 68 | 94.2 Ų | 94.2 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.2 | -63 | 0 | 0 | 0 | 0 | 111.7 | K644 E645 I651 N652 | K644-T648 WeakPolarHBondContact O-CB 3.37Å; K644-T648 PolarHBondContact O-N 3.35Å; K644-T648 PolarHBondContact O-OG1 3.24Å; E645-T648 PolarHBondContact O-N 3.06Å; T648-I651 PolarHBondContact O-N 2.91Å; T648-N652 WeakPolarHBondContact O-CB 3.39Å; T648-N652 PolarHBondContact O-N 3.05Å; T648-N652 PolarHBondContact O-ND2 3.46Å |
| 649 | N | 70.3 | Confident | 67.4 | Low | 81 Ų | 81 | 97.5 Ų | 97.5 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.6 | -75.1 | -32.3 | 0 | 0 | 0 | 112.1 | E645 D646 N652 F653 | E645-N649 WeakPolarHBondContact O-CB 3.23Å; E645-N649 VanDerWaalsContact O-CG 3.24Å; E645-N649 PolarHBondContact O-N 3.4Å; E645-N649 PolarHBondContact O-ND2 3.16Å; E645-N649 VanDerWaalsContact O-ND2 3.14Å; D646-N649 PolarHBondContact O-N 2.94Å; N649-N652 PolarHBondContact O-N 2.96Å; N649-F653 WeakPolarHBondContact O-CB 3.41Å; N649-F653 PolarHBondContact O-N 3.42Å |
| 650 | S | 64.5 | Low | 66.5 | Low | 79 Ų | 79 | 97 Ų | 97 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 174.6 | -173 | 0 | 0 | 0 | 0 | 112.4 | D646 L647 F653 G654 | D646-S650 WeakPolarHBondContact O-CB 3.38Å; D646-S650 PolarHBondContact O-N 3.11Å; L647-S650 PolarHBondContact O-N 3.04Å; S650-F653 PolarHBondContact O-N 3.23Å; S650-G654 PolarHBondContact O-N 3.16Å |
| 651 | I | 72.9 | Confident | 65.6 | Low | 94 Ų | 94 | 95.3 Ų | 95.3 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 175.4 | -68.4 | 165.3 | 0 | 0 | 0 | 110.9 | L647 T648 F653 G654 E655 | L647-I651 HydrophobicContact CD1-CD1 4.3Å; L647-I651 HydrophobicContact CG-CD1 4.12Å; L647-I651 VanDerWaalsContact O-CG1 3.32Å; L647-I651 WeakPolarHBondContact O-CG1 3.34Å; L647-I651 PolarHBondContact O-N 3.45Å; T648-I651 PolarHBondContact O-N 2.91Å; I651-F653 VanDerWaalsContact C-N 3.32Å; I651-F653 PolarHBondContact O-N 2.98Å; I651-G654 PolarHBondContact O-N 3.19Å; I651-E655 WeakPolarHBondContact O-CB 3.22Å; I651-E655 PolarHBondContact O-N 3.02Å |
| 652 | N | 70 | Confident | 64.6 | Low | 86 Ų | 86 | 101.3 Ų | 101.3 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 177.8 | -78.6 | -31.5 | 0 | 0 | 0 | 112.8 | T648 N649 E655 R656 | T648-N652 WeakPolarHBondContact O-CB 3.39Å; T648-N652 PolarHBondContact O-N 3.05Å; T648-N652 PolarHBondContact O-ND2 3.46Å; N649-N652 PolarHBondContact O-N 2.96Å; N652-E655 WeakPolarHBondContact O-CB 2.99Å; N652-R656 WeakPolarHBondContact O-CB 3.45Å; N652-R656 WeakPolarHBondContact O-CG 3.15Å; N652-R656 PolarHBondContact O-N 2.99Å |
| 653 | F | 65.1 | Low | 63.5 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 62% | 0.618 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.2 | -45.2 | 172.5 | -179 | -100.1 | 0 | 0 | 0 | 111.6 | N649 S650 I651 E655 R656 L657 | N649-F653 WeakPolarHBondContact O-CB 3.41Å; N649-F653 PolarHBondContact O-N 3.42Å; S650-F653 PolarHBondContact O-N 3.23Å; I651-F653 VanDerWaalsContact C-N 3.32Å; I651-F653 PolarHBondContact O-N 2.98Å; F653-E655 VanDerWaalsContact C-N 3.31Å; F653-E655 PolarHBondContact O-N 2.86Å; F653-R656 PolarHBondContact O-N 3.36Å; F653-L657 HydrophobicContact CE1-CD2 4.42Å; F653-L657 VanDerWaalsContact O-CB 3.29Å; F653-L657 WeakPolarHBondContact O-CB 3.01Å; F653-L657 PolarHBondContact O-N 3.47Å |
| 654 | G | 64.6 | Low | 62.2 | Low | 21 Ų | 21 | 95.2 Ų | 95.2 | 22% | 0.216 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S650 I651 R658 | S650-G654 PolarHBondContact O-N 3.16Å; I651-G654 PolarHBondContact O-N 3.19Å; G654-R658 WeakPolarHBondContact O-CB 3.48Å; G654-R658 PolarHBondContact O-N 3.39Å |
| 655 | E | 63.1 | Low | 60.9 | Low | 56 Ų | 56 | 95 Ų | 95 | 26% | 0.262 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -54.5 | 170.4 | -92.5 | -63.7 | 118.7 | 0 | 0 | 112.4 | I651 N652 F653 L657 R658 R659 | I651-E655 WeakPolarHBondContact O-CB 3.22Å; I651-E655 PolarHBondContact O-N 3.02Å; N652-E655 WeakPolarHBondContact O-CB 2.99Å; F653-E655 VanDerWaalsContact C-N 3.31Å; F653-E655 PolarHBondContact O-N 2.86Å; E655-L657 VanDerWaalsContact C-N 3.28Å; E655-L657 PolarHBondContact O-N 2.9Å; E655-R658 PolarHBondContact O-N 2.94Å; E655-R658 IonicContact OE1-CZ 3.22Å; E655-R658 IonicContact OE1-NH1 3.81Å; E655-R658 PolarHBondContact OE1-NH1 3.31Å; E655-R658 IonicContact OE1-NH2 2.77Å; E655-R659 PolarHBondContact O-N 3.4Å; E655-R659 IonicContact OE2-CZ 2.85Å; E655-R659 IonicContact OE2-NE 2.96Å; E655-R659 PolarHBondContact OE2-NE 3.34Å; E655-R659 IonicContact OE2-NH2 3.29Å; E655-R659 PolarHBondContact OE2-NH2 3.42Å |
| 656 | R | 61.4 | Low | 59.7 | Low | 151 Ų | 151 | 97.9 Ų | 97.9 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.8 | -41.5 | 176.9 | -78.8 | -179.3 | 168.6 | -177.9 | -4.1 | 110.9 | E372 N652 F653 R659 A660 | E372-R656 IonicContact OE2-CZ 2.81Å; E372-R656 IonicContact OE2-NH1 3.28Å; E372-R656 PolarHBondContact OE2-NH1 3.1Å; E372-R656 VanDerWaalsContact OE2-NH1 3.08Å; E372-R656 IonicContact OE2-NH2 2.75Å; E372-R656 PolarHBondContact OE2-NH2 2.79Å; N652-R656 WeakPolarHBondContact O-CB 3.45Å; N652-R656 WeakPolarHBondContact O-CG 3.15Å; N652-R656 PolarHBondContact O-N 2.99Å; F653-R656 PolarHBondContact O-N 3.36Å; R656-R659 PolarHBondContact O-N 2.79Å; R656-A660 WeakPolarHBondContact O-CB 3.27Å; R656-A660 PolarHBondContact O-N 3.39Å |
| 657 | L | 58.7 | Low | 58.2 | Low | 85 Ų | 85 | 95.3 Ų | 95.3 | 45% | 0.445 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 178 | -169.8 | 68.9 | 0 | 0 | 0 | 112.5 | F653 E655 A660 L661 | F653-L657 HydrophobicContact CE1-CD2 4.42Å; F653-L657 VanDerWaalsContact O-CB 3.29Å; F653-L657 WeakPolarHBondContact O-CB 3.01Å; F653-L657 PolarHBondContact O-N 3.47Å; E655-L657 VanDerWaalsContact C-N 3.28Å; E655-L657 PolarHBondContact O-N 2.9Å; L657-A660 PolarHBondContact O-N 2.87Å; L657-L661 HydrophobicContact CG-CD1 4.13Å; L657-L661 WeakPolarHBondContact O-CB 3.19Å; L657-L661 WeakPolarHBondContact O-CG 3.48Å; L657-L661 PolarHBondContact O-N 3.28Å |
| 658 | R | 62.3 | Low | 56.8 | Low | 134 Ų | 134 | 97.2 Ų | 97.2 | 51% | 0.506 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 175.2 | -87.7 | -173.6 | -88.3 | 100.4 | -0.8 | 112.3 | G654 E655 R662 | G654-R658 WeakPolarHBondContact O-CB 3.48Å; G654-R658 PolarHBondContact O-N 3.39Å; E655-R658 PolarHBondContact O-N 2.94Å; E655-R658 IonicContact OE1-CZ 3.22Å; E655-R658 IonicContact OE1-NH1 3.81Å; E655-R658 PolarHBondContact OE1-NH1 3.31Å; E655-R658 IonicContact OE1-NH2 2.77Å; R658-R662 WeakPolarHBondContact O-CG 3.48Å; R658-R662 PolarHBondContact O-N 3.31Å |
| 659 | R | 58.2 | Low | 55.3 | Low | 154 Ų | 154 | 99.5 Ų | 99.5 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 173.1 | -88.3 | 179.6 | -106.3 | 179.4 | -6.2 | 112.1 | E655 R656 R662 L663 | E655-R659 PolarHBondContact O-N 3.4Å; E655-R659 IonicContact OE2-CZ 2.85Å; E655-R659 IonicContact OE2-NE 2.96Å; E655-R659 PolarHBondContact OE2-NE 3.34Å; E655-R659 IonicContact OE2-NH2 3.29Å; E655-R659 PolarHBondContact OE2-NH2 3.42Å; R656-R659 PolarHBondContact O-N 2.79Å; R659-R662 PolarHBondContact O-N 2.93Å; R659-L663 WeakPolarHBondContact O-CG 3.16Å; R659-L663 PolarHBondContact O-N 2.67Å |
| 660 | A | 50.6 | Low | 53.6 | Low | 34 Ų | 34 | 98.2 Ų | 98.2 | 28% | 0.281 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R656 L657 R662 L663 Y664 | R656-A660 WeakPolarHBondContact O-CB 3.27Å; R656-A660 PolarHBondContact O-N 3.39Å; L657-A660 PolarHBondContact O-N 2.87Å; A660-R662 VanDerWaalsContact C-N 3.34Å; A660-R662 PolarHBondContact O-N 3.33Å; A660-L663 PolarHBondContact O-N 3.36Å; A660-L663 VanDerWaalsContact O-N 3.13Å; A660-Y664 HydrophobicContact CB-CD2 4.4Å; A660-Y664 HydrophobicContact CB-CE2 4.3Å; A660-Y664 WeakPolarHBondContact O-CD2 3.43Å; A660-Y664 PolarHBondContact O-N 3.41Å |
| 661 | L | 50.9 | Low | 52.5 | Low | 73 Ų | 73 | 103.8 Ų | 103.8 | 38% | 0.382 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 179.3 | -72.3 | 169.6 | 0 | 0 | 0 | 113 | L657 Y664 A665 | L657-L661 HydrophobicContact CG-CD1 4.13Å; L657-L661 WeakPolarHBondContact O-CB 3.19Å; L657-L661 WeakPolarHBondContact O-CG 3.48Å; L657-L661 PolarHBondContact O-N 3.28Å; L661-Y664 PolarHBondContact O-N 2.86Å; L661-A665 PolarHBondContact O-N 3.21Å; L661-A665 VanDerWaalsContact O-N 3.15Å |
| 662 | R | 51.5 | Low | 50.9 | Low | 192 Ų | 192 | 102.8 Ų | 102.8 | 73% | 0.725 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 172.1 | -77.5 | -179.4 | 175.5 | 173.2 | -0.7 | 112.4 | R658 R659 A660 A665 | R658-R662 WeakPolarHBondContact O-CG 3.48Å; R658-R662 PolarHBondContact O-N 3.31Å; R659-R662 PolarHBondContact O-N 2.93Å; A660-R662 VanDerWaalsContact C-N 3.34Å; A660-R662 PolarHBondContact O-N 3.33Å; R662-A665 PolarHBondContact O-N 2.84Å |
| 663 | L | 45.6 | Very low | 49.4 | Very low | 49 Ų | 49 | 101.9 Ų | 101.9 | 26% | 0.257 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 174.9 | -69.5 | 168.9 | 0 | 0 | 0 | 112.2 | R659 A660 A665 N666 I867 | R659-L663 WeakPolarHBondContact O-CG 3.16Å; R659-L663 PolarHBondContact O-N 2.67Å; A660-L663 PolarHBondContact O-N 3.36Å; A660-L663 VanDerWaalsContact O-N 3.13Å; L663-A665 VanDerWaalsContact C-N 3.26Å; L663-A665 PolarHBondContact O-N 2.96Å; L663-N666 PolarHBondContact O-N 2.95Å; L663-I867 HydrophobicContact CD2-CB 4.11Å; L663-I867 HydrophobicContact CD2-CD1 3.73Å; L663-I867 HydrophobicContact CD2-CG1 3.86Å |
| 664 | Y | 43.5 | Very low | 48.2 | Very low | 138 Ų | 138 | 98.4 Ų | 98.4 | 54% | 0.541 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.5 | -17.5 | 175.4 | -76.8 | -59.8 | 0 | 0 | 0 | 114.3 | A660 L661 F670 L780 | A660-Y664 HydrophobicContact CB-CD2 4.4Å; A660-Y664 HydrophobicContact CB-CE2 4.3Å; A660-Y664 WeakPolarHBondContact O-CD2 3.43Å; A660-Y664 PolarHBondContact O-N 3.41Å; L661-Y664 PolarHBondContact O-N 2.86Å; Y664-F670 AromaticContact CD1-CE2 3.98Å; Y664-F670 HydrophobicContact CD1-CE2 3.98Å; Y664-F670 HydrophobicContact CD1-CZ 4.12Å; Y664-F670 HydrophobicContact CE1-CE2 4.35Å; Y664-F670 HydrophobicContact CE1-CZ 4.13Å; Y664-L780 HydrophobicContact CD1-CD2 4.27Å |
| 665 | A | 46.4 | Very low | 47 | Very low | 73 Ų | 73 | 101 Ų | 101 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L661 R662 L663 G667 | L661-A665 PolarHBondContact O-N 3.21Å; L661-A665 VanDerWaalsContact O-N 3.15Å; R662-A665 PolarHBondContact O-N 2.84Å; L663-A665 VanDerWaalsContact C-N 3.26Å; L663-A665 PolarHBondContact O-N 2.96Å; A665-G667 PolarHBondContact O-N 3.31Å; A665-G667 VanDerWaalsContact O-N 3.15Å |
| 666 | N | 45.2 | Very low | 46 | Very low | 121 Ų | 121 | 104.1 Ų | 104.1 | 65% | 0.647 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -90.3 | 72.1 | -171.2 | -73.8 | -0.5 | 0 | 0 | 0 | 113.3 | L663 D668 | L663-N666 PolarHBondContact O-N 2.95Å; N666-D668 PolarHBondContact O-N 3.28Å |
| 667 | G | 33.3 | Very low | 45.3 | Very low | 61 Ų | 61 | 100.2 Ų | 100.2 | 63% | 0.629 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 68.9 | -81.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | A665 | A665-G667 PolarHBondContact O-N 3.31Å; A665-G667 VanDerWaalsContact O-N 3.15Å |
| 668 | D | 41.3 | Very low | 45.1 | Very low | 150 Ų | 150 | 99.9 Ų | 99.9 | 80% | 0.802 | 52% | 0.52 | S | S | * | . | S | Bend | -102.5 | -7.6 | -128.6 | -62.2 | -35.9 | 0 | 0 | 0 | 116.9 | N666 | N666-D668 PolarHBondContact O-N 3.28Š| |
| 669 | W | 42.3 | Very low | 44.8 | Very low | 117 Ų | 117 | 98.8 Ų | 98.8 | 44% | 0.443 | 53% | 0.53 | S | S | . | . | trans | -100.6 | -5.5 | -166 | -75.7 | 9.4 | 0 | 0 | 0 | 116.5 | H671 T672 L863 P865 | W669-H671 PolarHBondContact O-N 3.42Å; W669-T672 PolarHBondContact O-N 2.92Å; W669-L863 HydrophobicContact CH2-CB 3.63Å; W669-L863 HydrophobicContact CZ2-CB 4.26Å; W669-L863 HydrophobicContact CZ3-CB 3.85Å; W669-L863 VanDerWaalsContact CZ3-O 3.23Å; W669-L863 WeakPolarHBondContact CZ3-O 3.34Å; W669-P865 HydrophobicContact CE3-CB 4.44Å; W669-P865 HydrophobicContact CE3-CG 4.36Å; W669-P865 HydrophobicContact CH2-CB 4.2Å; W669-P865 HydrophobicContact CZ3-CB 3.75Å; W669-P865 HydrophobicContact CZ3-CG 4.01Å | ||
| 670 | F | 33.7 | Very low | 44.4 | Very low | 53 Ų | 53 | 96.8 Ų | 96.8 | 23% | 0.232 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -75.5 | -18.5 | -165.6 | -99.1 | -81.2 | 0 | 0 | 0 | 117.3 | Y664 T672 L780 | Y664-F670 AromaticContact CD1-CE2 3.98Å; Y664-F670 HydrophobicContact CD1-CE2 3.98Å; Y664-F670 HydrophobicContact CD1-CZ 4.12Å; Y664-F670 HydrophobicContact CE1-CE2 4.35Å; Y664-F670 HydrophobicContact CE1-CZ 4.13Å; F670-T672 VanDerWaalsContact C-N 3.25Å; F670-T672 PolarHBondContact O-N 3.37Å; F670-L780 HydrophobicContact CD1-CB 3.99Å; F670-L780 HydrophobicContact CD1-CD2 4.44Å; F670-L780 WeakPolarHBondContact CD1-O 3.43Å; F670-L780 HydrophobicContact CD2-CD2 3.83Å; F670-L780 HydrophobicContact CE1-CB 3.84Å; F670-L780 HydrophobicContact CE1-CD2 3.95Å; F670-L780 HydrophobicContact CE1-CG 4.39Å; F670-L780 HydrophobicContact CE2-CD2 3.27Å; F670-L780 HydrophobicContact CE2-CG 4.45Å; F670-L780 HydrophobicContact CG-CB 4.42Å; F670-L780 HydrophobicContact CG-CD2 4.4Å; F670-L780 HydrophobicContact CZ-CB 4.17Å; F670-L780 HydrophobicContact CZ-CD2 3.35Å; F670-L780 HydrophobicContact CZ-CG 4.22Å |
| 671 | H | 41.1 | Very low | 44.6 | Very low | 196 Ų | 196 | 98 Ų | 98 | 91% | 0.907 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.9 | -14.7 | 176.7 | -80.3 | -65 | 0 | 0 | 0 | 114.3 | W669 | W669-H671 PolarHBondContact O-N 3.42Å |
| 672 | T | 40.6 | Very low | 44.8 | Very low | 74 Ų | 74 | 96.6 Ų | 96.6 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -96.5 | -24 | -171.4 | -47.4 | 0 | 0 | 0 | 0 | 113.8 | W669 F670 | W669-T672 PolarHBondContact O-N 2.92Å; F670-T672 VanDerWaalsContact C-N 3.25Å; F670-T672 PolarHBondContact O-N 3.37Å |
| 673 | I | 38.9 | Very low | 45.4 | Very low | 67 Ų | 67 | 94 Ų | 94 | 34% | 0.344 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -92.5 | -26.5 | -166 | -59.1 | 177 | 0 | 0 | 0 | 113 | G675 H676 | I673-G675 PolarHBondContact O-N 2.92Å; I673-H676 PolarHBondContact O-N 3.47Å |
| 674 | S | 39.1 | Very low | 46.2 | Very low | 67 Ų | 67 | 96.2 Ų | 96.2 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -6.8 | -173.1 | -58.1 | 0 | 0 | 0 | 0 | 116 | ||
| 675 | G | 38.7 | Very low | 46.9 | Very low | 75 Ų | 75 | 92.7 Ų | 92.7 | 77% | 0.773 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -0.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I673 | I673-G675 PolarHBondContact O-N 2.92Š|
| 676 | H | 43 | Very low | 47.7 | Very low | 122 Ų | 122 | 93 Ų | 93 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | trans | -131.5 | 13.1 | -167.6 | -101 | -29.3 | 0 | 0 | 0 | 116 | I673 | I673-H676 PolarHBondContact O-N 3.47Š| ||
| 677 | L | 46.9 | Very low | 48.7 | Very low | 70 Ų | 70 | 91.1 Ų | 91.1 | 37% | 0.366 | 50% | 0.502 | S | S | . | . | trans | -65.2 | 136.4 | 169.2 | -65.5 | 168.8 | 0 | 0 | 0 | 110.4 | T681 S682 | L677-T681 HydrophobicContact CD2-CG2 3.86Å; L677-S682 WeakPolarHBondContact CB-OG 3.39Å | ||
| 678 | D | 54.1 | Low | 50.3 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | trans | -71 | 161.4 | 173.7 | 106.9 | 90.8 | 0 | 0 | 0 | 111.1 | E680 T681 S682 | D678-E680 VanDerWaalsContact C-N 3.32Å; D678-E680 PolarHBondContact O-N 3.13Å; D678-E680 PolarHBondContact OD1-N 3.05Å; D678-T681 PolarHBondContact O-N 3.04Å; D678-T681 WeakPolarHBondContact OD2-CB 3.12Å; D678-T681 PolarHBondContact OD2-N 3.4Å; D678-T681 PolarHBondContact OD2-OG1 3.36Å; D678-S682 VanDerWaalsContact O-CB 3.31Å; D678-S682 WeakPolarHBondContact O-CB 3.33Å; D678-S682 PolarHBondContact O-N 3.15Å; D678-S682 PolarHBondContact O-OG 3.34Å | ||
| 679 | P | 55.6 | Low | 51.4 | Low | 110 Ų | 110 | 89 Ų | 89 | 71% | 0.714 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -53.9 | -39.9 | 176.8 | -27.7 | 36.2 | 0 | 0 | 0 | 114.8 | R683 | P679-R683 WeakPolarHBondContact O-CB 3.35Å; P679-R683 PolarHBondContact O-N 2.91Å |
| 680 | E | 49.3 | Very low | 52.6 | Low | 112 Ų | 112 | 92.6 Ų | 92.6 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.6 | -42.3 | -178.7 | -172.1 | 159.2 | -122 | 0 | 0 | 112.2 | D678 S682 R683 L684 | D678-E680 VanDerWaalsContact C-N 3.32Å; D678-E680 PolarHBondContact O-N 3.13Å; D678-E680 PolarHBondContact OD1-N 3.05Å; E680-S682 VanDerWaalsContact C-N 3.29Å; E680-S682 PolarHBondContact O-N 3.43Å; E680-R683 WeakPolarHBondContact O-CB 3.31Å; E680-R683 PolarHBondContact O-N 2.83Å; E680-R683 VanDerWaalsContact O-N 3.1Å; E680-R683 IonicContact OE1-NH2 2.78Å; E680-L684 HydrophobicContact CG-CD1 4.29Å; E680-L684 WeakPolarHBondContact O-CG 3.44Å; E680-L684 PolarHBondContact O-N 3.1Å |
| 681 | T | 56 | Low | 54.2 | Low | 61 Ų | 61 | 98.8 Ų | 98.8 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 171.3 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | L677 D678 R683 L684 F685 | L677-T681 HydrophobicContact CD2-CG2 3.86Å; D678-T681 PolarHBondContact O-N 3.04Å; D678-T681 WeakPolarHBondContact OD2-CB 3.12Å; D678-T681 PolarHBondContact OD2-N 3.4Å; D678-T681 PolarHBondContact OD2-OG1 3.36Å; T681-R683 VanDerWaalsContact C-N 3.32Å; T681-R683 PolarHBondContact O-N 3.44Å; T681-L684 PolarHBondContact O-N 2.96Å; T681-F685 WeakPolarHBondContact O-CB 3.45Å; T681-F685 PolarHBondContact O-N 2.76Å |
| 682 | S | 53.7 | Low | 55.4 | Low | 43 Ų | 43 | 90.3 Ų | 90.3 | 30% | 0.301 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | L677 D678 E680 S686 | L677-S682 WeakPolarHBondContact CB-OG 3.39Å; D678-S682 VanDerWaalsContact O-CB 3.31Å; D678-S682 WeakPolarHBondContact O-CB 3.33Å; D678-S682 PolarHBondContact O-N 3.15Å; D678-S682 PolarHBondContact O-OG 3.34Å; E680-S682 VanDerWaalsContact C-N 3.29Å; E680-S682 PolarHBondContact O-N 3.43Å; S682-S686 VanDerWaalsContact O-CB 3.32Å; S682-S686 WeakPolarHBondContact O-CB 3.29Å; S682-S686 PolarHBondContact O-N 2.88Å; S682-S686 PolarHBondContact O-OG 2.87Å |
| 683 | R | 65.1 | Low | 56.7 | Low | 136 Ų | 136 | 94.4 Ų | 94.4 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 174.9 | -167.5 | 179.7 | 78 | 119.1 | -3.4 | 111.5 | P679 E680 T681 S686 Q687 | P679-R683 WeakPolarHBondContact O-CB 3.35Å; P679-R683 PolarHBondContact O-N 2.91Å; E680-R683 WeakPolarHBondContact O-CB 3.31Å; E680-R683 PolarHBondContact O-N 2.83Å; E680-R683 VanDerWaalsContact O-N 3.1Å; E680-R683 IonicContact OE1-NH2 2.78Å; T681-R683 VanDerWaalsContact C-N 3.32Å; T681-R683 PolarHBondContact O-N 3.44Å; R683-S686 PolarHBondContact O-N 2.89Å; R683-Q687 WeakPolarHBondContact O-CG 3.44Å; R683-Q687 PolarHBondContact O-N 3.4Å |
| 684 | L | 62 | Low | 58.2 | Low | 97 Ų | 97 | 97 Ų | 97 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 174.9 | -76.4 | 165.3 | 0 | 0 | 0 | 111.4 | E680 T681 S686 Q687 L688 | E680-L684 HydrophobicContact CG-CD1 4.29Å; E680-L684 WeakPolarHBondContact O-CG 3.44Å; E680-L684 PolarHBondContact O-N 3.1Å; T681-L684 PolarHBondContact O-N 2.96Å; L684-S686 VanDerWaalsContact C-N 3.32Å; L684-S686 PolarHBondContact O-N 3.38Å; L684-Q687 PolarHBondContact O-N 2.89Å; L684-L688 WeakPolarHBondContact O-CB 3.37Å; L684-L688 PolarHBondContact O-N 3.18Å |
| 685 | F | 58.8 | Low | 59.5 | Low | 64 Ų | 64 | 96 Ų | 96 | 28% | 0.281 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.3 | -139 | -90.7 | 0 | 0 | 0 | 111.9 | T681 L688 K689 L777 L782 | T681-F685 WeakPolarHBondContact O-CB 3.45Å; T681-F685 PolarHBondContact O-N 2.76Å; F685-L688 PolarHBondContact O-N 3.34Å; F685-K689 VanDerWaalsContact O-CB 3.29Å; F685-K689 WeakPolarHBondContact O-CB 3.22Å; F685-K689 PolarHBondContact O-N 3.41Å; F685-L777 HydrophobicContact CE1-CD2 3.43Å; F685-L777 VanDerWaalsContact CE1-CD2 3.43Å; F685-L777 HydrophobicContact CZ-CD2 3.39Å; F685-L782 HydrophobicContact CD1-CD1 4.29Å; F685-L782 HydrophobicContact CE1-CB 4.4Å; F685-L782 HydrophobicContact CE1-CD1 3.4Å; F685-L782 HydrophobicContact CE2-CD1 4.35Å; F685-L782 HydrophobicContact CZ-CD1 3.43Å; F685-L782 VanDerWaalsContact CZ-CD1 3.43Å |
| 686 | S | 62.3 | Low | 61 | Low | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 174.2 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | S682 R683 L684 R690 | S682-S686 VanDerWaalsContact O-CB 3.32Å; S682-S686 WeakPolarHBondContact O-CB 3.29Å; S682-S686 PolarHBondContact O-N 2.88Å; S682-S686 PolarHBondContact O-OG 2.87Å; R683-S686 PolarHBondContact O-N 2.89Å; L684-S686 VanDerWaalsContact C-N 3.32Å; L684-S686 PolarHBondContact O-N 3.38Å; S686-R690 WeakPolarHBondContact O-CB 3.44Å; S686-R690 PolarHBondContact O-N 3.37Å |
| 687 | Q | 67.2 | Low | 62.4 | Low | 82 Ų | 82 | 94 Ų | 94 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 173.4 | -75.9 | 179.9 | -2.7 | 0 | 0 | 111.8 | R683 L684 R690 R691 | R683-Q687 WeakPolarHBondContact O-CG 3.44Å; R683-Q687 PolarHBondContact O-N 3.4Å; L684-Q687 PolarHBondContact O-N 2.89Å; Q687-R690 PolarHBondContact O-N 3.43Å; Q687-R691 WeakPolarHBondContact O-CB 3.22Å; Q687-R691 WeakPolarHBondContact O-CG 3.43Å; Q687-R691 PolarHBondContact O-N 2.99Å |
| 688 | L | 66.4 | Low | 63.6 | Low | 91 Ų | 91 | 92.3 Ų | 92.3 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -47 | 176.4 | -173.9 | 66 | 0 | 0 | 0 | 111.1 | L684 F685 R690 R691 A692 | L684-L688 WeakPolarHBondContact O-CB 3.37Å; L684-L688 PolarHBondContact O-N 3.18Å; F685-L688 PolarHBondContact O-N 3.34Å; L688-R690 VanDerWaalsContact C-N 3.27Å; L688-R690 PolarHBondContact O-N 3.13Å; L688-R691 PolarHBondContact O-N 3.34Å; L688-A692 WeakPolarHBondContact O-CB 3.35Å; L688-A692 PolarHBondContact O-N 2.87Å |
| 689 | K | 63.8 | Low | 64.6 | Low | 76 Ų | 76 | 89.6 Ų | 89.6 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -30.8 | 176.6 | -166.8 | 166.9 | -174.2 | 169.3 | 0 | 112.9 | F685 R693 L782 | F685-K689 VanDerWaalsContact O-CB 3.29Å; F685-K689 WeakPolarHBondContact O-CB 3.22Å; F685-K689 PolarHBondContact O-N 3.41Å; K689-R693 PolarHBondContact O-N 2.8Å; K689-L782 PolarHBondContact NZ-O 2.96Å |
| 690 | R | 69.2 | Low | 65.4 | Low | 192 Ų | 192 | 90.9 Ų | 90.9 | 73% | 0.725 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -77.3 | -39.1 | 173.8 | -162.3 | 173.4 | -170.5 | 170.1 | 2.2 | 112.2 | S686 Q687 L688 L694 | S686-R690 WeakPolarHBondContact O-CB 3.44Å; S686-R690 PolarHBondContact O-N 3.37Å; Q687-R690 PolarHBondContact O-N 3.43Å; L688-R690 VanDerWaalsContact C-N 3.27Å; L688-R690 PolarHBondContact O-N 3.13Å; R690-L694 WeakPolarHBondContact O-CG 3.45Å; R690-L694 PolarHBondContact O-N 3.21Å; R690-L694 VanDerWaalsContact O-N 3.13Å |
| 691 | R | 67.5 | Low | 66.7 | Low | 184 Ų | 184 | 90.2 Ų | 90.2 | 69% | 0.694 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67 | -41.1 | 174.5 | -77.4 | -178.3 | 173.7 | -171.7 | -2.2 | 112.4 | Q687 L688 R693 L694 A695 | Q687-R691 WeakPolarHBondContact O-CB 3.22Å; Q687-R691 WeakPolarHBondContact O-CG 3.43Å; Q687-R691 PolarHBondContact O-N 2.99Å; L688-R691 PolarHBondContact O-N 3.34Å; R691-R693 PolarHBondContact O-N 3.46Å; R691-L694 PolarHBondContact O-N 2.97Å; R691-A695 PolarHBondContact O-N 3Å |
| 692 | A | 64.4 | Low | 67.5 | Low | 18 Ų | 18 | 90.2 Ų | 90.2 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L688 L694 A695 E696 | L688-A692 WeakPolarHBondContact O-CB 3.35Å; L688-A692 PolarHBondContact O-N 2.87Å; A692-L694 VanDerWaalsContact C-N 3.35Å; A692-L694 PolarHBondContact O-N 3.07Å; A692-A695 PolarHBondContact O-N 3.43Å; A692-E696 VanDerWaalsContact O-CB 3.29Å; A692-E696 WeakPolarHBondContact O-CB 3.46Å; A692-E696 PolarHBondContact O-N 3.43Å |
| 693 | R | 68.8 | Low | 68.6 | Low | 160 Ų | 160 | 90.7 Ų | 90.7 | 60% | 0.604 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.1 | -33.2 | 175.5 | -76.7 | 177.9 | 169.5 | 177.7 | -5.4 | 114.4 | K689 R691 A697 | K689-R693 PolarHBondContact O-N 2.8Å; R691-R693 PolarHBondContact O-N 3.46Å; R693-A697 WeakPolarHBondContact O-CB 3.34Å; R693-A697 PolarHBondContact O-N 2.84Å |
| 694 | L | 70.2 | Confident | 69.2 | Low | 122 Ų | 122 | 87.9 Ų | 87.9 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.1 | -37.2 | 175.3 | -74.5 | 165.9 | 0 | 0 | 0 | 111.6 | R690 R691 A692 G698 | R690-L694 WeakPolarHBondContact O-CG 3.45Å; R690-L694 PolarHBondContact O-N 3.21Å; R690-L694 VanDerWaalsContact O-N 3.13Å; R691-L694 PolarHBondContact O-N 2.97Å; A692-L694 VanDerWaalsContact C-N 3.35Å; A692-L694 PolarHBondContact O-N 3.07Å; L694-G698 PolarHBondContact O-N 2.87Å |
| 695 | A | 66.9 | Low | 69.8 | Low | 44 Ų | 44 | 86 Ų | 86 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.2 | -38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R691 A692 G698 L699 I770 | R691-A695 PolarHBondContact O-N 3Å; A692-A695 PolarHBondContact O-N 3.43Å; A695-G698 PolarHBondContact O-N 3.33Å; A695-L699 WeakPolarHBondContact O-CB 3.47Å; A695-L699 WeakPolarHBondContact O-CG 3.5Å; A695-L699 PolarHBondContact O-N 3.15Å; A695-I770 HydrophobicContact CB-CD1 3.59Å |
| 696 | E | 69.7 | Low | 70.6 | Confident | 98 Ų | 98 | 84 Ų | 84 | 46% | 0.458 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 171.7 | -178.3 | -179.2 | -156.9 | 0 | 0 | 111.2 | A692 Y700 | A692-E696 VanDerWaalsContact O-CB 3.29Å; A692-E696 WeakPolarHBondContact O-CB 3.46Å; A692-E696 PolarHBondContact O-N 3.43Å; E696-Y700 PolarHBondContact O-N 2.93Å |
| 697 | A | 73.2 | Confident | 71.2 | Confident | 58 Ų | 58 | 86.7 Ų | 86.7 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R693 L699 Y700 D701 | R693-A697 WeakPolarHBondContact O-CB 3.34Å; R693-A697 PolarHBondContact O-N 2.84Å; A697-L699 PolarHBondContact O-N 3.11Å; A697-Y700 WeakPolarHBondContact O-CB 3.39Å; A697-Y700 PolarHBondContact O-N 3.04Å; A697-Y700 VanDerWaalsContact O-N 3.14Å; A697-D701 PolarHBondContact O-N 3.48Å; A697-D701 VanDerWaalsContact O-N 3.07Å |
| 698 | G | 71 | Confident | 71.6 | Confident | 34 Ų | 34 | 85.9 Ų | 85.9 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | L694 A695 Y700 L702 | L694-G698 PolarHBondContact O-N 2.87Å; A695-G698 PolarHBondContact O-N 3.33Å; G698-Y700 VanDerWaalsContact C-N 3.34Å; G698-L702 WeakPolarHBondContact O-CB 3.36Å; G698-L702 PolarHBondContact O-N 3.33Å |
| 699 | L | 75.2 | Confident | 71.9 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.8 | -32.8 | 172.5 | -75.4 | 164.9 | 0 | 0 | 0 | 112.2 | A695 A697 L702 E703 I763 E766 I770 | A695-L699 WeakPolarHBondContact O-CB 3.47Å; A695-L699 WeakPolarHBondContact O-CG 3.5Å; A695-L699 PolarHBondContact O-N 3.15Å; A697-L699 PolarHBondContact O-N 3.11Å; L699-L702 PolarHBondContact O-N 3.27Å; L699-E703 PolarHBondContact O-N 2.89Å; L699-I763 HydrophobicContact CD2-CB 4.35Å; L699-I763 HydrophobicContact CD2-CG1 4.17Å; L699-I763 HydrophobicContact CD2-CG2 4.08Å; L699-E766 HydrophobicContact CD1-CB 4.1Å; L699-E766 HydrophobicContact CD2-CB 4.24Å; L699-I770 HydrophobicContact CD1-CD1 3.54Å; L699-I770 HydrophobicContact CD1-CG1 4.47Å |
| 700 | Y | 73.5 | Confident | 72.2 | Confident | 136 Ų | 136 | 81.9 Ų | 81.9 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 175.1 | -143 | -64.2 | 0 | 0 | 0 | 111.5 | E696 A697 G698 E703 N704 | E696-Y700 PolarHBondContact O-N 2.93Å; A697-Y700 WeakPolarHBondContact O-CB 3.39Å; A697-Y700 PolarHBondContact O-N 3.04Å; A697-Y700 VanDerWaalsContact O-N 3.14Å; G698-Y700 VanDerWaalsContact C-N 3.34Å; Y700-E703 PolarHBondContact O-N 2.75Å; Y700-N704 VanDerWaalsContact O-CG 3.3Å; Y700-N704 PolarHBondContact O-N 3.47Å; Y700-N704 PolarHBondContact O-ND2 3.2Å |
| 701 | D | 75.6 | Confident | 72.5 | Confident | 98 Ų | 98 | 76.9 Ų | 76.9 | 52% | 0.524 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 173.5 | -109.5 | 2.1 | 0 | 0 | 0 | 112.2 | A697 N704 Q705 | A697-D701 PolarHBondContact O-N 3.48Å; A697-D701 VanDerWaalsContact O-N 3.07Å; D701-N704 PolarHBondContact O-N 3Å; D701-Q705 WeakPolarHBondContact O-CB 3.32Å; D701-Q705 VanDerWaalsContact O-CG 3.26Å; D701-Q705 WeakPolarHBondContact O-CG 3.32Å; D701-Q705 PolarHBondContact O-N 2.93Å |
| 702 | L | 73.7 | Confident | 72.7 | Confident | 61 Ų | 61 | 73.6 Ų | 73.6 | 32% | 0.319 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 174.5 | -98.8 | 154.5 | 0 | 0 | 0 | 112.8 | G698 L699 I706 I763 L1830 | G698-L702 WeakPolarHBondContact O-CB 3.36Å; G698-L702 PolarHBondContact O-N 3.33Å; L699-L702 PolarHBondContact O-N 3.27Å; L702-I706 WeakPolarHBondContact O-CG1 3.36Å; L702-I706 PolarHBondContact O-N 3.19Å; L702-I763 HydrophobicContact CB-CD1 3.92Å; L702-I763 HydrophobicContact CB-CG1 4.44Å; L702-I763 HydrophobicContact CD2-CD1 4.18Å; L702-L1830 HydrophobicContact CD2-CD1 3.6Å; L702-L1830 HydrophobicContact CD2-CD2 4Å; L702-L1830 HydrophobicContact CD2-CG 4.47Å |
| 703 | E | 75.8 | Confident | 72.9 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.4 | -49.3 | 172.8 | -76.9 | -172.4 | 172.5 | 0 | 0 | 111.8 | L699 Y700 Q705 I706 E707 I763 R767 | L699-E703 PolarHBondContact O-N 2.89Å; Y700-E703 PolarHBondContact O-N 2.75Å; E703-Q705 PolarHBondContact O-N 3.23Å; E703-I706 PolarHBondContact O-N 2.93Å; E703-I706 VanDerWaalsContact O-N 3.07Å; E703-E707 WeakPolarHBondContact O-CB 3.41Å; E703-E707 PolarHBondContact O-N 2.93Å; E703-I763 HydrophobicContact CG-CG2 3.6Å; E703-R767 VanDerWaalsContact CD-CZ 3.4Å; E703-R767 IonicContact OE1-CZ 3.08Å; E703-R767 VanDerWaalsContact OE1-CZ 3.22Å; E703-R767 IonicContact OE1-NE 3.33Å; E703-R767 IonicContact OE1-NH1 2.72Å; E703-R767 PolarHBondContact OE1-NH1 3.4Å; E703-R767 IonicContact OE1-NH2 2.59Å; E703-R767 IonicContact OE2-CZ 3.4Å; E703-R767 IonicContact OE2-NE 3.58Å; E703-R767 IonicContact OE2-NH1 3.46Å; E703-R767 PolarHBondContact OE2-NH1 2.8Å; E703-R767 IonicContact OE2-NH2 2.73Å; E703-R767 PolarHBondContact OE2-NH2 2.77Å |
| 704 | N | 77.4 | Confident | 72.8 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.9 | -41.2 | 176 | -70.9 | -23.2 | 0 | 0 | 0 | 111.5 | Y700 D701 S708 | Y700-N704 VanDerWaalsContact O-CG 3.3Å; Y700-N704 PolarHBondContact O-N 3.47Å; Y700-N704 PolarHBondContact O-ND2 3.2Å; D701-N704 PolarHBondContact O-N 3Å; N704-S708 VanDerWaalsContact O-CB 3.31Å; N704-S708 WeakPolarHBondContact O-CB 3.4Å; N704-S708 PolarHBondContact O-N 3.48Å |
| 705 | Q | 75.7 | Confident | 72.9 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.1 | -35.4 | 178.4 | -73.2 | 175.8 | 47 | 0 | 0 | 113.3 | D701 E703 L709 L1830 | D701-Q705 WeakPolarHBondContact O-CB 3.32Å; D701-Q705 VanDerWaalsContact O-CG 3.26Å; D701-Q705 WeakPolarHBondContact O-CG 3.32Å; D701-Q705 PolarHBondContact O-N 2.93Å; E703-Q705 PolarHBondContact O-N 3.23Å; Q705-L709 PolarHBondContact O-N 2.99Å; Q705-L1830 HydrophobicContact CB-CD1 3.89Å |
| 706 | I | 74.7 | Confident | 72.8 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -74.4 | -35.9 | 174.8 | -73.3 | -173.3 | 0 | 0 | 0 | 111.8 | L702 E703 S708 L709 S710 I756 N759 I763 | L702-I706 WeakPolarHBondContact O-CG1 3.36Å; L702-I706 PolarHBondContact O-N 3.19Å; E703-I706 PolarHBondContact O-N 2.93Å; E703-I706 VanDerWaalsContact O-N 3.07Å; I706-S708 VanDerWaalsContact C-N 3.35Å; I706-L709 PolarHBondContact O-N 3.3Å; I706-S710 WeakPolarHBondContact O-CB 3.34Å; I706-S710 PolarHBondContact O-N 3.29Å; I706-I756 HydrophobicContact CG2-CG2 4.19Å; I706-N759 HydrophobicContact CD1-CB 3.58Å; I706-I763 HydrophobicContact CD1-CD1 3.5Å; I706-I763 VanDerWaalsContact CD1-CD1 3.5Å; I706-I763 HydrophobicContact CG1-CD1 4.44Å |
| 707 | E | 75.3 | Confident | 72.4 | Confident | 134 Ų | 134 | 66.9 Ų | 66.9 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68 | -37.4 | 174.9 | -166.5 | 159.6 | -144.8 | 0 | 0 | 110.9 | E703 T711 | E703-E707 WeakPolarHBondContact O-CB 3.41Å; E703-E707 PolarHBondContact O-N 2.93Å; E707-T711 WeakPolarHBondContact O-CG2 3.46Å; E707-T711 PolarHBondContact O-N 3.09Å; E707-T711 PolarHBondContact O-OG1 2.86Å |
| 708 | S | 76.4 | Confident | 71.7 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -53.6 | 167 | -169.4 | 0 | 0 | 0 | 0 | 112.1 | N704 I706 S710 T711 E712 | N704-S708 VanDerWaalsContact O-CB 3.31Å; N704-S708 WeakPolarHBondContact O-CB 3.4Å; N704-S708 PolarHBondContact O-N 3.48Å; I706-S708 VanDerWaalsContact C-N 3.35Å; S708-S710 VanDerWaalsContact C-N 3.3Å; S708-S710 PolarHBondContact O-N 3.21Å; S708-T711 PolarHBondContact O-N 3.46Å; S708-T711 PolarHBondContact O-OG1 2.85Å; S708-E712 WeakPolarHBondContact O-CB 3.41Å; S708-E712 PolarHBondContact O-N 3.38Å |
| 709 | L | 72.7 | Confident | 71.2 | Confident | 49 Ų | 49 | 71.5 Ų | 71.5 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 179.3 | -111 | 91.1 | 0 | 0 | 0 | 112.4 | Q705 I706 E712 L713 | Q705-L709 PolarHBondContact O-N 2.99Å; I706-L709 PolarHBondContact O-N 3.3Å; L709-E712 PolarHBondContact O-N 3.17Å; L709-L713 WeakPolarHBondContact O-CB 3.29Å; L709-L713 PolarHBondContact O-N 3.43Å |
| 710 | S | 69 | Low | 70.3 | Confident | 35 Ų | 35 | 74.2 Ų | 74.2 | 25% | 0.245 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.3 | -35.8 | -179.5 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | I706 S708 N714 | I706-S710 WeakPolarHBondContact O-CB 3.34Å; I706-S710 PolarHBondContact O-N 3.29Å; S708-S710 VanDerWaalsContact C-N 3.3Å; S708-S710 PolarHBondContact O-N 3.21Å; S710-N714 WeakPolarHBondContact O-CB 3.48Å; S710-N714 PolarHBondContact O-N 3.18Å; S710-N714 PolarHBondContact O-ND2 3.42Å |
| 711 | T | 75.7 | Confident | 69.2 | Low | 86 Ų | 86 | 72.7 Ų | 72.7 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.1 | -37.9 | 173.5 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | E707 S708 N714 T715 | E707-T711 WeakPolarHBondContact O-CG2 3.46Å; E707-T711 PolarHBondContact O-N 3.09Å; E707-T711 PolarHBondContact O-OG1 2.86Å; S708-T711 PolarHBondContact O-N 3.46Å; S708-T711 PolarHBondContact O-OG1 2.85Å; T711-N714 PolarHBondContact O-N 3.44Å; T711-T715 PolarHBondContact O-N 2.77Å; T711-T715 VanDerWaalsContact O-N 3.08Å; T711-T715 PolarHBondContact O-OG1 3.09Å |
| 712 | E | 72.4 | Confident | 67.9 | Low | 116 Ų | 116 | 73.8 Ų | 73.8 | 54% | 0.542 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 174.1 | -171.9 | 175 | -178.4 | 0 | 0 | 112.8 | S708 L709 T715 T716 | S708-E712 WeakPolarHBondContact O-CB 3.41Å; S708-E712 PolarHBondContact O-N 3.38Å; L709-E712 PolarHBondContact O-N 3.17Å; E712-T715 PolarHBondContact O-OG1 3.2Å; E712-T716 WeakPolarHBondContact O-CB 3.39Å; E712-T716 PolarHBondContact O-N 3.04Å; E712-T716 PolarHBondContact O-OG1 3.41Å |
| 713 | L | 68.1 | Low | 66.8 | Low | 31 Ų | 31 | 75.5 Ų | 75.5 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.8 | -36.8 | 174.9 | -89 | 153.2 | 0 | 0 | 0 | 112.7 | L709 T715 T716 V717 I752 I756 | L709-L713 WeakPolarHBondContact O-CB 3.29Å; L709-L713 PolarHBondContact O-N 3.43Å; L713-T715 PolarHBondContact O-N 3.04Å; L713-T716 PolarHBondContact O-N 3.06Å; L713-V717 WeakPolarHBondContact O-CB 3.48Å; L713-V717 VanDerWaalsContact O-CG2 3.32Å; L713-V717 WeakPolarHBondContact O-CG2 3.11Å; L713-V717 PolarHBondContact O-N 2.84Å; L713-I752 HydrophobicContact CD1-CG2 3.42Å; L713-I752 VanDerWaalsContact CD1-CG2 3.42Å; L713-I752 HydrophobicContact CD2-CG2 3.96Å; L713-I752 HydrophobicContact CG-CG2 4.35Å; L713-I756 HydrophobicContact CD1-CD1 3.43Å; L713-I756 VanDerWaalsContact CD1-CD1 3.43Å |
| 714 | N | 67.5 | Low | 65.1 | Low | 82 Ų | 82 | 77.1 Ų | 77.1 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.1 | -86.7 | -64.7 | 0 | 0 | 0 | 112.1 | S710 T711 Q718 | S710-N714 WeakPolarHBondContact O-CB 3.48Å; S710-N714 PolarHBondContact O-N 3.18Å; S710-N714 PolarHBondContact O-ND2 3.42Å; T711-N714 PolarHBondContact O-N 3.44Å; N714-Q718 WeakPolarHBondContact O-CB 3.43Å; N714-Q718 VanDerWaalsContact O-CG 3.3Å; N714-Q718 WeakPolarHBondContact O-CG 3.45Å; N714-Q718 PolarHBondContact O-N 3.22Å |
| 715 | T | 71.7 | Confident | 63.2 | Low | 86 Ų | 86 | 77 Ų | 77 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 174.8 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | T711 E712 L713 S719 | T711-T715 PolarHBondContact O-N 2.77Å; T711-T715 VanDerWaalsContact O-N 3.08Å; T711-T715 PolarHBondContact O-OG1 3.09Å; E712-T715 PolarHBondContact O-OG1 3.2Å; L713-T715 PolarHBondContact O-N 3.04Å; T715-S719 WeakPolarHBondContact O-CB 3.32Å; T715-S719 PolarHBondContact O-N 2.83Å; T715-S719 PolarHBondContact O-OG 3.27Å |
| 716 | T | 65.6 | Low | 61.8 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 33% | 0.325 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 173.8 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | E712 L713 S719 K720 | E712-T716 WeakPolarHBondContact O-CB 3.39Å; E712-T716 PolarHBondContact O-N 3.04Å; E712-T716 PolarHBondContact O-OG1 3.41Å; L713-T716 PolarHBondContact O-N 3.06Å; T716-S719 WeakPolarHBondContact CA-OG 3.35Å; T716-S719 PolarHBondContact O-OG 3.13Å; T716-S719 VanDerWaalsContact O-OG 3.06Å; T716-K720 HydrophobicContact CG2-CD 4.43Å; T716-K720 WeakPolarHBondContact O-CB 3.39Å; T716-K720 VanDerWaalsContact O-CG 3.3Å; T716-K720 WeakPolarHBondContact O-CG 3.03Å; T716-K720 PolarHBondContact O-N 3.49Å |
| 717 | V | 60.4 | Low | 60.2 | Low | 49 Ų | 49 | 84 Ų | 84 | 30% | 0.297 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 176.6 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | L713 N721 | L713-V717 WeakPolarHBondContact O-CB 3.48Å; L713-V717 VanDerWaalsContact O-CG2 3.32Å; L713-V717 WeakPolarHBondContact O-CG2 3.11Å; L713-V717 PolarHBondContact O-N 2.84Å; V717-N721 WeakPolarHBondContact O-CB 3.39Å; V717-N721 PolarHBondContact O-N 3.19Å; V717-N721 VanDerWaalsContact O-N 3.08Å; V717-N721 PolarHBondContact O-ND2 2.75Å |
| 718 | Q | 59.2 | Low | 58.5 | Low | 126 Ų | 126 | 84.2 Ų | 84.2 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 174.8 | -74.7 | -179.8 | 7 | 0 | 0 | 112.1 | N714 N721 I722 | N714-Q718 WeakPolarHBondContact O-CB 3.43Å; N714-Q718 VanDerWaalsContact O-CG 3.3Å; N714-Q718 WeakPolarHBondContact O-CG 3.45Å; N714-Q718 PolarHBondContact O-N 3.22Å; Q718-N721 PolarHBondContact O-N 3.35Å; Q718-I722 WeakPolarHBondContact O-CG1 3.4Å; Q718-I722 PolarHBondContact O-N 3.34Å |
| 719 | S | 59.8 | Low | 56.6 | Low | 62 Ų | 62 | 89.5 Ų | 89.5 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 177.8 | 52 | 0 | 0 | 0 | 0 | 113.2 | T715 T716 N721 I722 V723 | T715-S719 WeakPolarHBondContact O-CB 3.32Å; T715-S719 PolarHBondContact O-N 2.83Å; T715-S719 PolarHBondContact O-OG 3.27Å; T716-S719 WeakPolarHBondContact CA-OG 3.35Å; T716-S719 PolarHBondContact O-OG 3.13Å; T716-S719 VanDerWaalsContact O-OG 3.06Å; S719-N721 VanDerWaalsContact C-N 3.3Å; S719-N721 PolarHBondContact O-N 2.92Å; S719-I722 PolarHBondContact O-N 2.89Å; S719-V723 PolarHBondContact O-N 3.25Å; S719-V723 VanDerWaalsContact O-N 3.12Å |
| 720 | K | 56.3 | Low | 54.8 | Low | 80 Ų | 80 | 92.7 Ų | 92.7 | 35% | 0.348 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -53.3 | -44.6 | 170 | -81.9 | 173 | 171.5 | 179.9 | 0 | 112.3 | T716 V723 T724 D749 | T716-K720 HydrophobicContact CG2-CD 4.43Å; T716-K720 WeakPolarHBondContact O-CB 3.39Å; T716-K720 VanDerWaalsContact O-CG 3.3Å; T716-K720 WeakPolarHBondContact O-CG 3.03Å; T716-K720 PolarHBondContact O-N 3.49Å; K720-V723 PolarHBondContact O-N 2.86Å; K720-T724 WeakPolarHBondContact O-CB 3.45Å; K720-T724 PolarHBondContact O-N 2.68Å; K720-T724 PolarHBondContact O-OG1 3.14Å; K720-D749 IonicContact NZ-OD1 2.71Å; K720-D749 PolarHBondContact NZ-OD1 3.4Å; K720-D749 IonicContact NZ-OD2 2.71Å; K720-D749 PolarHBondContact NZ-OD2 3.29Å |
| 721 | N | 50.3 | Low | 53 | Low | 104 Ų | 104 | 96.9 Ų | 96.9 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.3 | -36.2 | -178.7 | -75.9 | -27.4 | 0 | 0 | 0 | 112.8 | V717 Q718 S719 A725 | V717-N721 WeakPolarHBondContact O-CB 3.39Å; V717-N721 PolarHBondContact O-N 3.19Å; V717-N721 VanDerWaalsContact O-N 3.08Å; V717-N721 PolarHBondContact O-ND2 2.75Å; Q718-N721 PolarHBondContact O-N 3.35Å; S719-N721 VanDerWaalsContact C-N 3.3Å; S719-N721 PolarHBondContact O-N 2.92Å; N721-A725 PolarHBondContact O-N 3Å |
| 722 | I | 49.1 | Very low | 51.1 | Low | 120 Ų | 120 | 98.3 Ų | 98.3 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67 | -43.7 | 176 | -67.5 | 164.2 | 0 | 0 | 0 | 111.3 | Q718 S719 A725 T726 | Q718-I722 WeakPolarHBondContact O-CG1 3.4Å; Q718-I722 PolarHBondContact O-N 3.34Å; S719-I722 PolarHBondContact O-N 2.89Å; I722-A725 PolarHBondContact O-N 2.9Å; I722-T726 PolarHBondContact O-OG1 2.88Å |
| 723 | V | 49 | Very low | 49.1 | Very low | 98 Ų | 98 | 100.3 Ų | 100.3 | 59% | 0.594 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.9 | -45.7 | 177.2 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | S719 K720 A725 T726 | S719-V723 PolarHBondContact O-N 3.25Å; S719-V723 VanDerWaalsContact O-N 3.12Å; K720-V723 PolarHBondContact O-N 2.86Å; V723-A725 VanDerWaalsContact C-N 3.25Å; V723-A725 PolarHBondContact O-N 3.2Å; V723-T726 PolarHBondContact O-N 3.46Å |
| 724 | T | 41.9 | Very low | 47.5 | Very low | 87 Ų | 87 | 106.3 Ų | 106.3 | 53% | 0.534 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63 | -30.1 | -176.5 | -53.3 | 0 | 0 | 0 | 0 | 112.8 | K720 T726 I728 | K720-T724 WeakPolarHBondContact O-CB 3.45Å; K720-T724 PolarHBondContact O-N 2.68Å; K720-T724 PolarHBondContact O-OG1 3.14Å; T724-T726 PolarHBondContact O-N 2.85Å; T724-I728 WeakPolarHBondContact O-CD1 3.5Å |
| 725 | A | 37.5 | Very low | 45.7 | Very low | 76 Ų | 76 | 110 Ų | 110 | 63% | 0.628 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -19 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N721 I722 V723 | N721-A725 PolarHBondContact O-N 3Å; I722-A725 PolarHBondContact O-N 2.9Å; V723-A725 VanDerWaalsContact C-N 3.25Å; V723-A725 PolarHBondContact O-N 3.2Å |
| 726 | T | 45 | Very low | 43.6 | Very low | 111 Ų | 111 | 117.8 Ų | 117.8 | 68% | 0.681 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -19.2 | -166.8 | -52.6 | 0 | 0 | 0 | 0 | 113.7 | I722 V723 T724 | I722-T726 PolarHBondContact O-OG1 2.88Å; V723-T726 PolarHBondContact O-N 3.46Å; T724-T726 PolarHBondContact O-N 2.85Å |
| 727 | T | 42.4 | Very low | 41.9 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -99.4 | -3.3 | -167.3 | -43.5 | 0 | 0 | 0 | 0 | 114.8 | M729 | T727-M729 PolarHBondContact O-N 3.17Š|
| 728 | I | 38.7 | Very low | 40.4 | Very low | 137 Ų | 137 | 130 Ų | 130 | 70% | 0.703 | 69% | 0.693 | S | S | * | * | trans | -84.2 | -5.8 | -163.9 | -60.8 | 176.6 | 0 | 0 | 0 | 114 | T724 S730 | T724-I728 WeakPolarHBondContact O-CD1 3.5Å; I728-S730 PolarHBondContact O-N 2.69Å | ||
| 729 | M | 36.4 | Very low | 39 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | trans | -101.1 | 53.5 | -171.2 | -59.1 | -155.9 | -56.1 | 0 | 0 | 115.8 | T727 | T727-M729 PolarHBondContact O-N 3.17Š| ||
| 730 | S | 33.9 | Very low | 37.7 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -158.6 | 116.1 | 167.4 | -85.5 | 0 | 0 | 0 | 0 | 116 | I728 | I728-S730 PolarHBondContact O-N 2.69Š|
| 731 | S | 32.9 | Very low | 36.5 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | 46.3 | 127.1 | 153.3 | -106.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 732 | P | 35.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -104.4 | 128.1 | 172.1 | 36.3 | -28.1 | 0 | 0 | 0 | 113.8 | ||||
| 733 | N | 30.8 | Very low | 35 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -177.7 | 166.2 | 139.2 | -111.3 | -69 | 0 | 0 | 0 | 113.5 | ||||
| 734 | Q | 33.1 | Very low | 34.4 | Very low | 156 Ų | 156 | 145 Ų | 145 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | trans | 72.5 | 140.5 | 168.7 | -62.4 | -161.5 | 19.4 | 0 | 0 | 120.4 | ||||
| 735 | Q | 29.1 | Very low | 34.3 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | 64.4 | 71.7 | 147.1 | -65.3 | -178.3 | 63.1 | 0 | 0 | 121.3 | K737 | Q735-K737 PolarHBondContact O-N 2.87Š| ||
| 736 | R | 28 | Very low | 34.5 | Very low | 251 Ų | 251 | 144.9 Ų | 144.9 | 95% | 0.947 | 75% | 0.746 | S | S | * | * | S | Bend | 45.4 | 49 | 103.9 | -156.8 | -168.8 | -173.7 | 175 | 3.2 | 118.7 | |||
| 737 | K | 29.7 | Very low | 34.5 | Very low | 195 Ų | 195 | 144.4 Ų | 144.4 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -157.8 | -32.8 | 154.4 | -120.3 | 169 | -175.3 | -178.3 | 0 | 118.9 | Q735 | Q735-K737 PolarHBondContact O-N 2.87Š| ||
| 738 | E | 29.9 | Very low | 34.8 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | trans | -96.9 | 4.5 | -155.6 | -58.6 | -169.6 | 148.9 | 0 | 0 | 117.7 | L740 L741 | E738-L740 PolarHBondContact O-N 3.26Å; E738-L741 PolarHBondContact O-N 3.02Å | ||
| 739 | K | 29.8 | Very low | 35.6 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 18.5 | -175.4 | -147.9 | 174.8 | -175.1 | 174.3 | 0 | 115.3 | ||
| 740 | L | 32.1 | Very low | 36.7 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -22.5 | 179.3 | -167.8 | 63.4 | 0 | 0 | 0 | 112.9 | E738 | E738-L740 PolarHBondContact O-N 3.26Š|
| 741 | L | 31.2 | Very low | 38 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -90.5 | -23 | -166.1 | -77.1 | 162 | 0 | 0 | 0 | 115.8 | E738 | E738-L741 PolarHBondContact O-N 3.02Š|
| 742 | T | 33.5 | Very low | 39.6 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -101.2 | 1.6 | -171.5 | 40.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 743 | R | 34.1 | Very low | 41 | Very low | 207 Ų | 207 | 126.2 Ų | 126.2 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -97.8 | -13.3 | -179.1 | -152.1 | 173.2 | -169.4 | 171.7 | 3.8 | 114.8 | ||
| 744 | N | 35.7 | Very low | 42.7 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -84.7 | -42.5 | -173.6 | -63.9 | -1.6 | 0 | 0 | 0 | 112.3 | V746 N747 D748 | N744-V746 VanDerWaalsContact C-N 3.29Å; N744-V746 PolarHBondContact O-N 3.03Å; N744-V746 VanDerWaalsContact O-N 3.15Å; N744-N747 PolarHBondContact O-N 3.01Å; N744-D748 PolarHBondContact O-N 2.83Å |
| 745 | S | 40.6 | Very low | 44.4 | Very low | 57 Ų | 57 | 121.9 Ų | 121.9 | 40% | 0.399 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -57.4 | -34.3 | -173.5 | 53.8 | 0 | 0 | 0 | 0 | 115.1 | D748 D749 | S745-D748 PolarHBondContact O-N 3.04Å; S745-D749 PolarHBondContact O-N 2.94Å |
| 746 | V | 41.3 | Very low | 46.6 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.1 | -29.7 | -179 | -174.8 | 0 | 0 | 0 | 0 | 112 | N744 | N744-V746 VanDerWaalsContact C-N 3.29Å; N744-V746 PolarHBondContact O-N 3.03Å; N744-V746 VanDerWaalsContact O-N 3.15Å |
| 747 | N | 45 | Very low | 48.6 | Very low | 100 Ų | 100 | 107.5 Ų | 107.5 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -76.7 | -36.6 | 175.7 | -78.5 | -2.8 | 0 | 0 | 0 | 111.3 | N744 S750 N751 | N744-N747 PolarHBondContact O-N 3.01Å; N747-S750 PolarHBondContact O-N 3.21Å; N747-S750 PolarHBondContact O-OG 2.94Å; N747-N751 PolarHBondContact O-N 3.27Å; N747-N751 VanDerWaalsContact O-N 3.14Å; N747-N751 PolarHBondContact O-ND2 3.43Å |
| 748 | D | 50 | Low | 50.5 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | -178.5 | -64.9 | -31.4 | 0 | 0 | 0 | 111.6 | N744 S745 S750 N751 I752 | N744-D748 PolarHBondContact O-N 2.83Å; S745-D748 PolarHBondContact O-N 3.04Å; D748-S750 PolarHBondContact O-N 3.15Å; D748-S750 VanDerWaalsContact O-N 3.15Å; D748-N751 PolarHBondContact O-N 3.06Å; D748-I752 VanDerWaalsContact O-CG1 3.27Å; D748-I752 WeakPolarHBondContact O-CG1 3.46Å; D748-I752 PolarHBondContact O-N 3.32Å |
| 749 | D | 55.3 | Low | 52.5 | Low | 36 Ų | 36 | 95.8 Ų | 95.8 | 19% | 0.193 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -56.2 | -33.8 | 176.2 | -69.9 | -30.1 | 0 | 0 | 0 | 111.9 | K720 S745 M753 | K720-D749 IonicContact NZ-OD1 2.71Å; K720-D749 PolarHBondContact NZ-OD1 3.4Å; K720-D749 IonicContact NZ-OD2 2.71Å; K720-D749 PolarHBondContact NZ-OD2 3.29Å; S745-D749 PolarHBondContact O-N 2.94Å; D749-M753 PolarHBondContact O-N 2.95Å |
| 750 | S | 59.7 | Low | 54.6 | Low | 58 Ų | 58 | 87.5 Ų | 87.5 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.8 | -35 | 176.6 | 83.9 | 0 | 0 | 0 | 0 | 113.9 | N747 D748 R754 | N747-S750 PolarHBondContact O-N 3.21Å; N747-S750 PolarHBondContact O-OG 2.94Å; D748-S750 PolarHBondContact O-N 3.15Å; D748-S750 VanDerWaalsContact O-N 3.15Å; S750-R754 WeakPolarHBondContact O-CB 3.39Å; S750-R754 PolarHBondContact O-N 2.88Å; S750-R754 VanDerWaalsContact O-N 3.09Å |
| 751 | N | 60.1 | Low | 56.5 | Low | 74 Ų | 74 | 85 Ų | 85 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -76.5 | -34.1 | 176.4 | -74.2 | -42.1 | 0 | 0 | 0 | 111.4 | N747 D748 R754 T755 | N747-N751 PolarHBondContact O-N 3.27Å; N747-N751 VanDerWaalsContact O-N 3.14Å; N747-N751 PolarHBondContact O-ND2 3.43Å; D748-N751 PolarHBondContact O-N 3.06Å; N751-R754 PolarHBondContact O-N 3.27Å; N751-R754 PolarHBondContact OD1-NH1 3.41Å; N751-R754 VanDerWaalsContact OD1-NH1 3.1Å; N751-T755 WeakPolarHBondContact O-CB 3.43Å; N751-T755 PolarHBondContact O-N 3.16Å; N751-T755 PolarHBondContact O-OG1 3.47Å |
| 752 | I | 66.1 | Low | 58.4 | Low | 66 Ų | 66 | 82.6 Ų | 82.6 | 34% | 0.338 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.5 | -50 | 172.5 | -68.7 | 164.7 | 0 | 0 | 0 | 109.9 | L713 D748 R754 T755 I756 | L713-I752 HydrophobicContact CD1-CG2 3.42Å; L713-I752 VanDerWaalsContact CD1-CG2 3.42Å; L713-I752 HydrophobicContact CD2-CG2 3.96Å; L713-I752 HydrophobicContact CG-CG2 4.35Å; D748-I752 VanDerWaalsContact O-CG1 3.27Å; D748-I752 WeakPolarHBondContact O-CG1 3.46Å; D748-I752 PolarHBondContact O-N 3.32Å; I752-R754 PolarHBondContact O-N 2.9Å; I752-T755 WeakPolarHBondContact O-CA 3.43Å; I752-T755 WeakPolarHBondContact O-CB 3.36Å; I752-T755 PolarHBondContact O-N 3.03Å; I752-I756 HydrophobicContact CG2-CD1 4.26Å; I752-I756 PolarHBondContact O-N 3.41Å |
| 753 | M | 66.8 | Low | 60.3 | Low | 82 Ų | 82 | 77.9 Ų | 77.9 | 40% | 0.404 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 174.9 | -83 | -60.8 | -59.1 | 0 | 0 | 112.7 | D749 T755 I756 D757 | D749-M753 PolarHBondContact O-N 2.95Å; M753-T755 PolarHBondContact O-N 3.41Å; M753-I756 PolarHBondContact O-N 3.42Å; M753-I756 VanDerWaalsContact O-N 3.16Å; M753-D757 PolarHBondContact O-N 2.67Å |
| 754 | R | 66.6 | Low | 62.2 | Low | 157 Ų | 157 | 75.7 Ų | 75.7 | 59% | 0.592 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.3 | -34.1 | 174.4 | -179 | -178.1 | -72.3 | 136.9 | -4.5 | 112.5 | S750 N751 I752 T758 | S750-R754 WeakPolarHBondContact O-CB 3.39Å; S750-R754 PolarHBondContact O-N 2.88Å; S750-R754 VanDerWaalsContact O-N 3.09Å; N751-R754 PolarHBondContact O-N 3.27Å; N751-R754 PolarHBondContact OD1-NH1 3.41Å; N751-R754 VanDerWaalsContact OD1-NH1 3.1Å; I752-R754 PolarHBondContact O-N 2.9Å; R754-T758 WeakPolarHBondContact O-CB 3.46Å; R754-T758 PolarHBondContact O-N 2.74Å; R754-T758 PolarHBondContact O-OG1 3.08Å |
| 755 | T | 68.4 | Low | 63.7 | Low | 68 Ų | 68 | 73.5 Ų | 73.5 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.6 | -41 | 177.5 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | N751 I752 M753 T758 N759 | N751-T755 WeakPolarHBondContact O-CB 3.43Å; N751-T755 PolarHBondContact O-N 3.16Å; N751-T755 PolarHBondContact O-OG1 3.47Å; I752-T755 WeakPolarHBondContact O-CA 3.43Å; I752-T755 WeakPolarHBondContact O-CB 3.36Å; I752-T755 PolarHBondContact O-N 3.03Å; M753-T755 PolarHBondContact O-N 3.41Å; T755-T758 PolarHBondContact O-N 2.94Å; T755-N759 VanDerWaalsContact O-CG 3.3Å; T755-N759 PolarHBondContact O-N 3.47Å; T755-N759 PolarHBondContact O-ND2 2.71Å |
| 756 | I | 75.2 | Confident | 65 | Low | 17 Ų | 17 | 74.3 Ų | 74.3 | 9% | 0.087 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 173.5 | -71.7 | 173.2 | 0 | 0 | 0 | 111 | I706 L713 I752 M753 T758 N759 A760 | I706-I756 HydrophobicContact CG2-CG2 4.19Å; L713-I756 HydrophobicContact CD1-CD1 3.43Å; L713-I756 VanDerWaalsContact CD1-CD1 3.43Å; I752-I756 HydrophobicContact CG2-CD1 4.26Å; I752-I756 PolarHBondContact O-N 3.41Å; M753-I756 PolarHBondContact O-N 3.42Å; M753-I756 VanDerWaalsContact O-N 3.16Å; I756-T758 VanDerWaalsContact C-N 3.27Å; I756-T758 PolarHBondContact O-N 3.31Å; I756-N759 PolarHBondContact O-N 3.37Å; I756-A760 WeakPolarHBondContact O-CB 3.37Å; I756-A760 PolarHBondContact O-N 2.96Å |
| 757 | D | 70.1 | Confident | 66.5 | Low | 91 Ų | 91 | 73.6 Ų | 73.6 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.5 | -41.8 | 174 | -85 | -32.8 | 0 | 0 | 0 | 111.9 | M753 N761 | M753-D757 PolarHBondContact O-N 2.67Å; D757-N761 WeakPolarHBondContact O-CB 3.29Å; D757-N761 PolarHBondContact O-N 3.23Å; D757-N761 PolarHBondContact O-ND2 3.23Å |
| 758 | T | 70.1 | Confident | 67.6 | Low | 74 Ų | 74 | 70.9 Ų | 70.9 | 45% | 0.454 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 179.3 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | R754 T755 I756 N761 L762 | R754-T758 WeakPolarHBondContact O-CB 3.46Å; R754-T758 PolarHBondContact O-N 2.74Å; R754-T758 PolarHBondContact O-OG1 3.08Å; T755-T758 PolarHBondContact O-N 2.94Å; I756-T758 VanDerWaalsContact C-N 3.27Å; I756-T758 PolarHBondContact O-N 3.31Å; T758-N761 PolarHBondContact O-N 3.48Å; T758-L762 HydrophobicContact CG2-CD1 4.27Å; T758-L762 WeakPolarHBondContact O-CG 3.15Å; T758-L762 PolarHBondContact O-N 2.81Å |
| 759 | N | 71.8 | Confident | 68.6 | Low | 37 Ų | 37 | 73.7 Ų | 73.7 | 20% | 0.198 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 178.6 | -68.9 | -19.3 | 0 | 0 | 0 | 112.2 | I706 T755 I756 N761 L762 I763 | I706-N759 HydrophobicContact CD1-CB 3.58Å; T755-N759 VanDerWaalsContact O-CG 3.3Å; T755-N759 PolarHBondContact O-N 3.47Å; T755-N759 PolarHBondContact O-ND2 2.71Å; I756-N759 PolarHBondContact O-N 3.37Å; N759-N761 VanDerWaalsContact C-N 3.32Å; N759-N761 PolarHBondContact O-N 3.33Å; N759-L762 PolarHBondContact O-N 3.28Å; N759-I763 WeakPolarHBondContact O-CG1 3.33Å; N759-I763 PolarHBondContact O-N 3.11Å |
| 760 | A | 73.6 | Confident | 69.3 | Low | 29 Ų | 29 | 72.8 Ų | 72.8 | 24% | 0.24 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I756 R764 | I756-A760 WeakPolarHBondContact O-CB 3.37Å; I756-A760 PolarHBondContact O-N 2.96Å; A760-R764 WeakPolarHBondContact O-CB 3.29Å; A760-R764 PolarHBondContact O-N 3.17Å |
| 761 | N | 71.7 | Confident | 69.7 | Low | 86 Ų | 86 | 74.6 Ų | 74.6 | 46% | 0.46 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 174.2 | -78.1 | -66.5 | 0 | 0 | 0 | 113 | D757 T758 N759 R764 A765 | D757-N761 WeakPolarHBondContact O-CB 3.29Å; D757-N761 PolarHBondContact O-N 3.23Å; D757-N761 PolarHBondContact O-ND2 3.23Å; T758-N761 PolarHBondContact O-N 3.48Å; N759-N761 VanDerWaalsContact C-N 3.32Å; N759-N761 PolarHBondContact O-N 3.33Å; N761-R764 PolarHBondContact OD1-NH1 2.66Å; N761-R764 VanDerWaalsContact OD1-NH1 3.11Å; N761-A765 WeakPolarHBondContact O-CB 3.14Å; N761-A765 PolarHBondContact O-N 3.46Å |
| 762 | L | 71.3 | Confident | 70.1 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 48% | 0.482 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 173.9 | -75.8 | 166.9 | 0 | 0 | 0 | 112 | T758 N759 A765 E766 | T758-L762 HydrophobicContact CG2-CD1 4.27Å; T758-L762 WeakPolarHBondContact O-CG 3.15Å; T758-L762 PolarHBondContact O-N 2.81Å; N759-L762 PolarHBondContact O-N 3.28Å; L762-A765 WeakPolarHBondContact O-CB 3.48Å; L762-A765 PolarHBondContact O-N 2.63Å; L762-E766 PolarHBondContact O-N 3.14Å |
| 763 | I | 73.2 | Confident | 70 | Confident | 13 Ų | 13 | 76.5 Ų | 76.5 | 7% | 0.067 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 175.4 | -73.2 | 165 | 0 | 0 | 0 | 110.6 | L699 L702 E703 I706 N759 A765 E766 R767 | L699-I763 HydrophobicContact CD2-CB 4.35Å; L699-I763 HydrophobicContact CD2-CG1 4.17Å; L699-I763 HydrophobicContact CD2-CG2 4.08Å; L702-I763 HydrophobicContact CB-CD1 3.92Å; L702-I763 HydrophobicContact CB-CG1 4.44Å; L702-I763 HydrophobicContact CD2-CD1 4.18Å; E703-I763 HydrophobicContact CG-CG2 3.6Å; I706-I763 HydrophobicContact CD1-CD1 3.5Å; I706-I763 VanDerWaalsContact CD1-CD1 3.5Å; I706-I763 HydrophobicContact CG1-CD1 4.44Å; N759-I763 WeakPolarHBondContact O-CG1 3.33Å; N759-I763 PolarHBondContact O-N 3.11Å; I763-A765 PolarHBondContact O-N 2.93Å; I763-E766 PolarHBondContact O-N 3.25Å; I763-R767 WeakPolarHBondContact O-CB 3.32Å; I763-R767 PolarHBondContact O-N 3.04Å |
| 764 | R | 74.1 | Confident | 69.8 | Low | 162 Ų | 162 | 74.1 Ų | 74.1 | 61% | 0.611 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.9 | -36.7 | 176.9 | -170.2 | -177.8 | -64.5 | 143.3 | -2.1 | 112.4 | A760 N761 G768 | A760-R764 WeakPolarHBondContact O-CB 3.29Å; A760-R764 PolarHBondContact O-N 3.17Å; N761-R764 PolarHBondContact OD1-NH1 2.66Å; N761-R764 VanDerWaalsContact OD1-NH1 3.11Å; R764-G768 PolarHBondContact O-N 2.75Å; R764-G768 VanDerWaalsContact O-N 3.13Å |
| 765 | A | 67 | Low | 69.7 | Low | 55 Ų | 55 | 71.2 Ų | 71.2 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.5 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N761 L762 I763 R769 | N761-A765 WeakPolarHBondContact O-CB 3.14Å; N761-A765 PolarHBondContact O-N 3.46Å; L762-A765 WeakPolarHBondContact O-CB 3.48Å; L762-A765 PolarHBondContact O-N 2.63Å; I763-A765 PolarHBondContact O-N 2.93Å; A765-R769 PolarHBondContact O-N 3.1Å; A765-R769 VanDerWaalsContact O-N 3.14Å |
| 766 | E | 68.7 | Low | 69.2 | Low | 75 Ų | 75 | 70 Ų | 70 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.5 | -32.9 | 174.6 | -82.2 | -69.3 | -179.5 | 0 | 0 | 112.5 | L699 L762 I763 R769 I770 | L699-E766 HydrophobicContact CD1-CB 4.1Å; L699-E766 HydrophobicContact CD2-CB 4.24Å; L762-E766 PolarHBondContact O-N 3.14Å; I763-E766 PolarHBondContact O-N 3.25Å; E766-R769 VanDerWaalsContact CD-NE 3.34Å; E766-R769 CarbonylContact O-C 3.58Å; E766-R769 WeakPolarHBondContact O-CB 3.21Å; E766-R769 PolarHBondContact O-N 2.84Å; E766-R769 VanDerWaalsContact O-N 3.11Å; E766-R769 IonicContact OE1-CZ 3.79Å; E766-R769 VanDerWaalsContact OE1-CZ 3.24Å; E766-R769 IonicContact OE1-NE 3.7Å; E766-R769 PolarHBondContact OE1-NE 3.46Å; E766-R769 IonicContact OE1-NH2 3.89Å; E766-R769 PolarHBondContact OE1-NH2 3.02Å; E766-R769 IonicContact OE2-CZ 3.06Å; E766-R769 IonicContact OE2-NE 2.66Å; E766-R769 PolarHBondContact OE2-NE 3.13Å; E766-R769 IonicContact OE2-NH2 2.64Å; E766-R769 PolarHBondContact OE2-NH2 2.71Å; E766-I770 WeakPolarHBondContact O-CG1 3.26Å; E766-I770 PolarHBondContact O-N 3.19Å |
| 767 | R | 71.7 | Confident | 68.5 | Low | 89 Ų | 89 | 70.6 Ų | 70.6 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.1 | -52.1 | 172.8 | -134.9 | -177.6 | -167.1 | 168.1 | 13.2 | 111 | E703 I763 R769 I770 D771 | E703-R767 VanDerWaalsContact CD-CZ 3.4Å; E703-R767 IonicContact OE1-CZ 3.08Å; E703-R767 VanDerWaalsContact OE1-CZ 3.22Å; E703-R767 IonicContact OE1-NE 3.33Å; E703-R767 IonicContact OE1-NH1 2.72Å; E703-R767 PolarHBondContact OE1-NH1 3.4Å; E703-R767 IonicContact OE1-NH2 2.59Å; E703-R767 IonicContact OE2-CZ 3.4Å; E703-R767 IonicContact OE2-NE 3.58Å; E703-R767 IonicContact OE2-NH1 3.46Å; E703-R767 PolarHBondContact OE2-NH1 2.8Å; E703-R767 IonicContact OE2-NH2 2.73Å; E703-R767 PolarHBondContact OE2-NH2 2.77Å; I763-R767 WeakPolarHBondContact O-CB 3.32Å; I763-R767 PolarHBondContact O-N 3.04Å; R767-R769 PolarHBondContact O-N 3.43Å; R767-R769 VanDerWaalsContact O-N 3.17Å; R767-I770 PolarHBondContact O-N 2.78Å; R767-I770 VanDerWaalsContact O-N 3.1Å; R767-D771 WeakPolarHBondContact O-CB 3.09Å; R767-D771 PolarHBondContact O-N 3.33Å |
| 768 | G | 69.1 | Low | 68 | Low | 43 Ų | 43 | 72.5 Ų | 72.5 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -28.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R764 F772 | R764-G768 PolarHBondContact O-N 2.75Å; R764-G768 VanDerWaalsContact O-N 3.13Å; G768-F772 WeakPolarHBondContact O-CB 3.47Å; G768-F772 PolarHBondContact O-N 2.82Å |
| 769 | R | 70.4 | Confident | 67.4 | Low | 143 Ų | 143 | 77.6 Ų | 77.6 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -77.3 | -37.6 | 175.8 | -155.2 | 174.4 | 67.2 | 119.6 | 0.3 | 112.7 | A765 E766 R767 I773 | A765-R769 PolarHBondContact O-N 3.1Å; A765-R769 VanDerWaalsContact O-N 3.14Å; E766-R769 VanDerWaalsContact CD-NE 3.34Å; E766-R769 CarbonylContact O-C 3.58Å; E766-R769 WeakPolarHBondContact O-CB 3.21Å; E766-R769 PolarHBondContact O-N 2.84Å; E766-R769 VanDerWaalsContact O-N 3.11Å; E766-R769 IonicContact OE1-CZ 3.79Å; E766-R769 VanDerWaalsContact OE1-CZ 3.24Å; E766-R769 IonicContact OE1-NE 3.7Å; E766-R769 PolarHBondContact OE1-NE 3.46Å; E766-R769 IonicContact OE1-NH2 3.89Å; E766-R769 PolarHBondContact OE1-NH2 3.02Å; E766-R769 IonicContact OE2-CZ 3.06Å; E766-R769 IonicContact OE2-NE 2.66Å; E766-R769 PolarHBondContact OE2-NE 3.13Å; E766-R769 IonicContact OE2-NH2 2.64Å; E766-R769 PolarHBondContact OE2-NH2 2.71Å; R767-R769 PolarHBondContact O-N 3.43Å; R767-R769 VanDerWaalsContact O-N 3.17Å; R769-I773 WeakPolarHBondContact O-CD1 3.42Å; R769-I773 VanDerWaalsContact O-CG1 3.28Å; R769-I773 WeakPolarHBondContact O-CG1 3.09Å; R769-I773 PolarHBondContact O-N 3.05Å; R769-I773 VanDerWaalsContact O-N 3.13Å |
| 770 | I | 69.7 | Low | 66.1 | Low | 17 Ų | 17 | 77.2 Ų | 77.2 | 9% | 0.087 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 171.1 | -67.7 | -175.3 | 0 | 0 | 0 | 110.6 | A695 L699 E766 R767 F772 I773 V774 | A695-I770 HydrophobicContact CB-CD1 3.59Å; L699-I770 HydrophobicContact CD1-CD1 3.54Å; L699-I770 HydrophobicContact CD1-CG1 4.47Å; E766-I770 WeakPolarHBondContact O-CG1 3.26Å; E766-I770 PolarHBondContact O-N 3.19Å; R767-I770 PolarHBondContact O-N 2.78Å; R767-I770 VanDerWaalsContact O-N 3.1Å; I770-F772 VanDerWaalsContact C-N 3.31Å; I770-F772 PolarHBondContact O-N 2.87Å; I770-I773 CarbonylContact O-C 3.58Å; I770-I773 WeakPolarHBondContact O-CA 3.08Å; I770-I773 WeakPolarHBondContact O-CB 3.42Å; I770-I773 PolarHBondContact O-N 3.1Å; I770-V774 HydrophobicContact CG2-CG2 3.96Å; I770-V774 WeakPolarHBondContact O-CB 3.29Å; I770-V774 WeakPolarHBondContact O-CG2 3.31Å; I770-V774 PolarHBondContact O-N 3.45Å |
| 771 | D | 68.9 | Low | 64.5 | Low | 96 Ų | 96 | 78.4 Ų | 78.4 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 176.3 | -76.4 | -42.7 | 0 | 0 | 0 | 111 | R767 I773 V774 E775 | R767-D771 WeakPolarHBondContact O-CB 3.09Å; R767-D771 PolarHBondContact O-N 3.33Å; D771-I773 VanDerWaalsContact C-N 3.34Å; D771-I773 PolarHBondContact O-N 2.94Å; D771-V774 PolarHBondContact O-N 3.47Å; D771-E775 VanDerWaalsContact O-CB 3.3Å; D771-E775 WeakPolarHBondContact O-CB 3.45Å; D771-E775 PolarHBondContact O-N 3.38Å |
| 772 | F | 67.6 | Low | 63 | Low | 115 Ų | 115 | 76.4 Ų | 76.4 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 172.5 | -178.9 | -99.4 | 0 | 0 | 0 | 112.4 | G768 I770 N776 | G768-F772 WeakPolarHBondContact O-CB 3.47Å; G768-F772 PolarHBondContact O-N 2.82Å; I770-F772 VanDerWaalsContact C-N 3.31Å; I770-F772 PolarHBondContact O-N 2.87Å; F772-N776 WeakPolarHBondContact CE1-ND2 3.44Å; F772-N776 WeakPolarHBondContact CE2-ND2 3.5Å; F772-N776 VanDerWaalsContact CZ-ND2 3.34Å; F772-N776 WeakPolarHBondContact CZ-ND2 3.39Å; F772-N776 WeakPolarHBondContact O-CB 3.23Å; F772-N776 PolarHBondContact O-N 3.03Å; F772-N776 VanDerWaalsContact O-N 3.09Å; F772-N776 PolarHBondContact O-ND2 3.4Å |
| 773 | I | 64.3 | Low | 61.2 | Low | 65 Ų | 65 | 75.1 Ų | 75.1 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 176.4 | -69.6 | 163.9 | 0 | 0 | 0 | 111.2 | R769 I770 D771 L777 | R769-I773 WeakPolarHBondContact O-CD1 3.42Å; R769-I773 VanDerWaalsContact O-CG1 3.28Å; R769-I773 WeakPolarHBondContact O-CG1 3.09Å; R769-I773 PolarHBondContact O-N 3.05Å; R769-I773 VanDerWaalsContact O-N 3.13Å; I770-I773 CarbonylContact O-C 3.58Å; I770-I773 WeakPolarHBondContact O-CA 3.08Å; I770-I773 WeakPolarHBondContact O-CB 3.42Å; I770-I773 PolarHBondContact O-N 3.1Å; D771-I773 VanDerWaalsContact C-N 3.34Å; D771-I773 PolarHBondContact O-N 2.94Å; I773-L777 HydrophobicContact CG2-CD1 3.87Å; I773-L777 WeakPolarHBondContact O-CB 3.28Å; I773-L777 WeakPolarHBondContact O-CG 3.49Å; I773-L777 PolarHBondContact O-N 3.05Å |
| 774 | V | 62.9 | Low | 59.1 | Low | 33 Ų | 33 | 79.2 Ų | 79.2 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.8 | -38 | -178.1 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | I770 D771 L777 K778 | I770-V774 HydrophobicContact CG2-CG2 3.96Å; I770-V774 WeakPolarHBondContact O-CB 3.29Å; I770-V774 WeakPolarHBondContact O-CG2 3.31Å; I770-V774 PolarHBondContact O-N 3.45Å; D771-V774 PolarHBondContact O-N 3.47Å; V774-L777 PolarHBondContact O-N 3.32Å; V774-K778 HydrophobicContact CG1-CD 4.38Å; V774-K778 WeakPolarHBondContact O-CG 3.43Å; V774-K778 PolarHBondContact O-N 3.09Å |
| 775 | E | 63 | Low | 57 | Low | 95 Ų | 95 | 79.1 Ų | 79.1 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 176.2 | -158.9 | -163.4 | 141.5 | 0 | 0 | 110.9 | D771 K778 R779 | D771-E775 VanDerWaalsContact O-CB 3.3Å; D771-E775 WeakPolarHBondContact O-CB 3.45Å; D771-E775 PolarHBondContact O-N 3.38Å; E775-K778 WeakPolarHBondContact O-CB 3.46Å; E775-K778 PolarHBondContact O-N 3.03Å; E775-R779 WeakPolarHBondContact O-CG 3.34Å; E775-R779 PolarHBondContact O-N 3.22Å; E775-R779 IonicContact OE1-CZ 3.8Å; E775-R779 IonicContact OE1-NE 2.78Å; E775-R779 PolarHBondContact OE1-NE 2.94Å; E775-R779 IonicContact OE1-NH2 2.97Å; E775-R779 PolarHBondContact OE1-NH2 3.39Å |
| 776 | N | 59 | Low | 55.1 | Low | 44 Ų | 44 | 85.8 Ų | 85.8 | 24% | 0.235 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 168.4 | -79.2 | -67.6 | 0 | 0 | 0 | 110.5 | F772 K778 R779 L780 | F772-N776 WeakPolarHBondContact CE1-ND2 3.44Å; F772-N776 WeakPolarHBondContact CE2-ND2 3.5Å; F772-N776 VanDerWaalsContact CZ-ND2 3.34Å; F772-N776 WeakPolarHBondContact CZ-ND2 3.39Å; F772-N776 WeakPolarHBondContact O-CB 3.23Å; F772-N776 PolarHBondContact O-N 3.03Å; F772-N776 VanDerWaalsContact O-N 3.09Å; F772-N776 PolarHBondContact O-ND2 3.4Å; N776-K778 PolarHBondContact O-N 2.97Å; N776-K778 VanDerWaalsContact O-N 3.11Å; N776-R779 PolarHBondContact O-N 3.46Å; N776-L780 WeakPolarHBondContact O-CB 3.48Å; N776-L780 WeakPolarHBondContact O-CG 3.35Å; N776-L780 PolarHBondContact O-N 3.06Å |
| 777 | L | 59.5 | Low | 53.1 | Low | 29 Ų | 29 | 87 Ų | 87 | 15% | 0.152 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58 | -26.9 | 176.3 | -74.2 | 168.3 | 0 | 0 | 0 | 114.4 | F685 I773 V774 L782 | F685-L777 HydrophobicContact CE1-CD2 3.43Å; F685-L777 VanDerWaalsContact CE1-CD2 3.43Å; F685-L777 HydrophobicContact CZ-CD2 3.39Å; I773-L777 HydrophobicContact CG2-CD1 3.87Å; I773-L777 WeakPolarHBondContact O-CB 3.28Å; I773-L777 WeakPolarHBondContact O-CG 3.49Å; I773-L777 PolarHBondContact O-N 3.05Å; V774-L777 PolarHBondContact O-N 3.32Å; L777-L782 PolarHBondContact O-N 3.42Å |
| 778 | K | 61 | Low | 51 | Low | 130 Ų | 130 | 90.2 Ų | 90.2 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -75.4 | -48.2 | 170.4 | -74.6 | 168.4 | -178.5 | 168.8 | 0 | 111.9 | V774 E775 N776 L780 G781 | V774-K778 HydrophobicContact CG1-CD 4.38Å; V774-K778 WeakPolarHBondContact O-CG 3.43Å; V774-K778 PolarHBondContact O-N 3.09Å; E775-K778 WeakPolarHBondContact O-CB 3.46Å; E775-K778 PolarHBondContact O-N 3.03Å; N776-K778 PolarHBondContact O-N 2.97Å; N776-K778 VanDerWaalsContact O-N 3.11Å; K778-L780 PolarHBondContact O-N 2.99Å; K778-G781 PolarHBondContact O-N 2.95Å |
| 779 | R | 57.5 | Low | 49 | Very low | 182 Ų | 182 | 93 Ų | 93 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.1 | -34.5 | 177.3 | -71.8 | 174.7 | -179.3 | -136.8 | 5 | 112.3 | E775 N776 G781 | E775-R779 WeakPolarHBondContact O-CG 3.34Å; E775-R779 PolarHBondContact O-N 3.22Å; E775-R779 IonicContact OE1-CZ 3.8Å; E775-R779 IonicContact OE1-NE 2.78Å; E775-R779 PolarHBondContact OE1-NE 2.94Å; E775-R779 IonicContact OE1-NH2 2.97Å; E775-R779 PolarHBondContact OE1-NH2 3.39Å; N776-R779 PolarHBondContact O-N 3.46Å; R779-G781 PolarHBondContact O-N 3.49Å |
| 780 | L | 44.7 | Very low | 46.9 | Very low | 28 Ų | 28 | 97.4 Ų | 97.4 | 15% | 0.147 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 8.3 | 175.4 | -56.5 | 166.3 | 0 | 0 | 0 | 113.2 | Y664 F670 N776 K778 L782 | Y664-L780 HydrophobicContact CD1-CD2 4.27Å; F670-L780 HydrophobicContact CD1-CB 3.99Å; F670-L780 HydrophobicContact CD1-CD2 4.44Å; F670-L780 WeakPolarHBondContact CD1-O 3.43Å; F670-L780 HydrophobicContact CD2-CD2 3.83Å; F670-L780 HydrophobicContact CE1-CB 3.84Å; F670-L780 HydrophobicContact CE1-CD2 3.95Å; F670-L780 HydrophobicContact CE1-CG 4.39Å; F670-L780 HydrophobicContact CE2-CD2 3.27Å; F670-L780 HydrophobicContact CE2-CG 4.45Å; F670-L780 HydrophobicContact CG-CB 4.42Å; F670-L780 HydrophobicContact CG-CD2 4.4Å; F670-L780 HydrophobicContact CZ-CB 4.17Å; F670-L780 HydrophobicContact CZ-CD2 3.35Å; F670-L780 HydrophobicContact CZ-CG 4.22Å; N776-L780 WeakPolarHBondContact O-CB 3.48Å; N776-L780 WeakPolarHBondContact O-CG 3.35Å; N776-L780 PolarHBondContact O-N 3.06Å; K778-L780 PolarHBondContact O-N 2.99Å; L780-L782 VanDerWaalsContact C-N 3.28Å; L780-L782 PolarHBondContact O-N 3.4Å |
| 781 | G | 38.6 | Very low | 44.9 | Very low | 54 Ų | 54 | 102.5 Ų | 102.5 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 5.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | K778 R779 S783 | K778-G781 PolarHBondContact O-N 2.95Å; R779-G781 PolarHBondContact O-N 3.49Å; G781-S783 VanDerWaalsContact C-N 3.26Å; G781-S783 PolarHBondContact O-N 2.91Å |
| 782 | L | 40.2 | Very low | 42.9 | Very low | 45 Ų | 45 | 105 Ų | 105 | 24% | 0.236 | 55% | 0.545 | C | S | . | . | trans | -92.3 | 27.3 | -173.2 | -63.4 | 170.8 | 0 | 0 | 0 | 113.5 | F685 K689 L777 L780 | F685-L782 HydrophobicContact CD1-CD1 4.29Å; F685-L782 HydrophobicContact CE1-CB 4.4Å; F685-L782 HydrophobicContact CE1-CD1 3.4Å; F685-L782 HydrophobicContact CE2-CD1 4.35Å; F685-L782 HydrophobicContact CZ-CD1 3.43Å; F685-L782 VanDerWaalsContact CZ-CD1 3.43Å; K689-L782 PolarHBondContact NZ-O 2.96Å; L777-L782 PolarHBondContact O-N 3.42Å; L780-L782 VanDerWaalsContact C-N 3.28Å; L780-L782 PolarHBondContact O-N 3.4Å | ||
| 783 | S | 34.3 | Very low | 41 | Very low | 64 Ų | 64 | 107.4 Ų | 107.4 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -97.7 | 136.1 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | G781 M785 | G781-S783 VanDerWaalsContact C-N 3.26Å; G781-S783 PolarHBondContact O-N 2.91Å; S783-M785 PolarHBondContact O-N 2.84Å |
| 784 | P | 29.6 | Very low | 39.4 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | trans | -69.3 | 96.9 | 172.2 | 29.9 | -33.1 | 0 | 0 | 0 | 109.6 | K786 | P784-K786 PolarHBondContact O-N 3.33Å; P784-K786 VanDerWaalsContact O-N 3.14Å | ||
| 785 | M | 28.4 | Very low | 37.8 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 78% | 0.783 | 61% | 0.613 | S | S | * | * | trans | -66.1 | 110.2 | 177.9 | -171.1 | 170.3 | -178.5 | 0 | 0 | 109.8 | S783 C787 | S783-M785 PolarHBondContact O-N 2.84Å; M785-C787 PolarHBondContact O-N 3.26Å | ||
| 786 | K | 28.2 | Very low | 36.3 | Very low | 195 Ų | 195 | 128 Ų | 128 | 85% | 0.848 | 63% | 0.634 | S | S | * | * | trans | -66.1 | 96.7 | 164.2 | -73.8 | -174.8 | 176.1 | -175.6 | 0 | 108 | P784 | P784-K786 PolarHBondContact O-N 3.33Å; P784-K786 VanDerWaalsContact O-N 3.14Å | ||
| 787 | C | 26.3 | Very low | 34.8 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 68% | 0.676 | 66% | 0.66 | S | S | * | * | trans | -92.7 | 105.5 | 163.9 | -87.9 | 0 | 0 | 0 | 0 | 108.8 | M785 | M785-C787 PolarHBondContact O-N 3.26Š| ||
| 788 | D | 27.4 | Very low | 33.3 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 84% | 0.84 | 69% | 0.691 | S | S | * | * | trans | -62.6 | 148.5 | 170.2 | -77.1 | -64 | 0 | 0 | 0 | 111.5 | ||||
| 789 | S | 26.7 | Very low | 31.5 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | -88.6 | 132.8 | -168 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 790 | R | 27.7 | Very low | 30.1 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | trans | -167.5 | 160 | 146 | -119.5 | 161.5 | -80.6 | -158.7 | -1.2 | 115.1 | ||||
| 791 | C | 27.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | 71.1 | 98.7 | 164.1 | -63.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 792 | E | 27.1 | Very low | 28.8 | Very low | 149 Ų | 149 | 157.4 Ų | 157.4 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | -84.9 | 169.6 | 178.6 | -49 | -174.3 | 92 | 0 | 0 | 115.2 | ||||
| 793 | K | 26.4 | Very low | 28.3 | Very low | 164 Ų | 164 | 164.3 Ų | 164.3 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | 44.1 | 117 | 139.3 | -67.4 | 158.2 | -175.3 | 157 | 0 | 119.2 | ||||
| 794 | R | 31.8 | Very low | 28 | Very low | 258 Ų | 258 | 166.4 Ų | 166.4 | 97% | 0.974 | 80% | 0.802 | S | S | * | * | -150.6 | 148.1 | 119.7 | -104.8 | 160.9 | -162.2 | -160.6 | 2.8 | 110.1 | |||||
| 795 | K | 29 | Very low | 27.8 | Very low | 178 Ų | 178 | 169.8 Ų | 169.8 | 77% | 0.774 | 81% | 0.814 | S | S | * | * | trans | -123.8 | 137.6 | 172.8 | -73.6 | -177.7 | 178.7 | 178.7 | 0 | 107.7 | ||||
| 796 | E | 30.5 | Very low | 28.1 | Very low | 191 Ų | 191 | 169.9 Ų | 169.9 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -149.1 | 170.3 | 158.4 | -158.9 | 76.9 | -106.5 | 0 | 0 | 108.4 | ||||
| 797 | K | 27.9 | Very low | 27.8 | Very low | 180 Ų | 180 | 165.7 Ų | 165.7 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -113.4 | 151.4 | -173 | -52.8 | 162.6 | -175.3 | 167.4 | 0 | 110.2 | ||||
| 798 | Q | 27.3 | Very low | 27.9 | Very low | 173 Ų | 173 | 165.5 Ų | 165.5 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | 162.3 | 126.6 | 107.2 | -83.8 | -160 | 43.4 | 0 | 0 | 114.5 | |||||
| 799 | K | 24.9 | Very low | 27.9 | Very low | 195 Ų | 195 | 165.1 Ų | 165.1 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | 53 | 156.8 | 147 | -84.6 | -169.3 | 171.5 | -176.6 | 0 | 122.4 | ||||
| 800 | P | 28.4 | Very low | 27.9 | Very low | 124 Ų | 124 | 168.3 Ų | 168.3 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -102.3 | 158 | -167.1 | 39.6 | -34.6 | 0 | 0 | 0 | 114.1 | ||||
| 801 | M | 26.1 | Very low | 27.9 | Very low | 166 Ų | 166 | 161.7 Ų | 161.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -140.2 | 125.9 | 170.9 | -171.8 | 169.3 | 176.7 | 0 | 0 | 110.3 | ||||
| 802 | R | 29.8 | Very low | 27.8 | Very low | 246 Ų | 246 | 164.7 Ų | 164.7 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -77.3 | 121.6 | 168 | -85.1 | -179.8 | 170.2 | 165.3 | -5 | 109 | ||||
| 803 | K | 28.2 | Very low | 27.9 | Very low | 190 Ų | 190 | 164.8 Ų | 164.8 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -163 | 141.7 | 146.5 | -108.5 | 168.1 | -174.4 | -175.6 | 0 | 109.2 | ||||
| 804 | S | 29.7 | Very low | 27.9 | Very low | 107 Ų | 107 | 164.6 Ų | 164.6 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -75.7 | 149 | 171.7 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 805 | L | 25.3 | Very low | 27.7 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -170 | 145.9 | 144.5 | -106.1 | 158.9 | 0 | 0 | 0 | 110.9 | ||||
| 806 | N | 33.1 | Very low | 27.6 | Very low | 160 Ų | 160 | 155.2 Ų | 155.2 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -90.5 | 129.9 | 172 | -92.2 | -18.9 | 0 | 0 | 0 | 110.3 | ||||
| 807 | S | 22.8 | Very low | 27.6 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -173.6 | 135.2 | 151.4 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 808 | S | 28.4 | Very low | 28 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | cis | 108.3 | 143.6 | 13.6 | 75.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 809 | N | 26.9 | Very low | 28.3 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 81.4 | 113 | 157.4 | -57.4 | -11.5 | 0 | 0 | 0 | 121.1 | ||||
| 810 | I | 28.1 | Very low | 29 | Very low | 169 Ų | 169 | 139 Ų | 139 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | S | Bend | -128.7 | 128.2 | 128.2 | -58.8 | 176.6 | 0 | 0 | 0 | 103.8 | |||
| 811 | S | 27.3 | Very low | 29 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | -135.5 | 157 | 19.6 | 53.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 812 | F | 25.9 | Very low | 29.4 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | trans | -33.3 | 153.2 | 162.8 | -51.6 | -96.3 | 0 | 0 | 0 | 115.9 | ||||
| 813 | L | 28.2 | Very low | 29.5 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -155 | 143.9 | 46.7 | -109.9 | 105.3 | 0 | 0 | 0 | 115.9 | ||||
| 814 | K | 26.3 | Very low | 29.6 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | 42.7 | 126.5 | 142.1 | -80.5 | -176.5 | 152.9 | -80 | 0 | 125 | ||||
| 815 | D | 27.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 129 Ų | 129 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | 77.7 | 106.9 | 126 | -56.7 | -7.5 | 0 | 0 | 0 | 123.8 | |||||
| 816 | S | 28.4 | Very low | 30.3 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | 84.2 | 117 | 123.7 | -59.6 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 817 | G | 29.7 | Very low | 30.4 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 178.7 | 108.7 | 162 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 818 | P | 35.9 | Very low | 30.9 | Very low | 134 Ų | 134 | 128 Ų | 128 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -93.5 | 171.5 | -176.5 | 36.6 | -35.1 | 0 | 0 | 0 | 114.5 | ||||
| 819 | G | 34.5 | Very low | 31.3 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -78.8 | -151.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 820 | P | 39 | Very low | 31.7 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -146 | -154 | 28 | 45.2 | -24.6 | 0 | 0 | 0 | 115.7 | ||||
| 821 | S | 29.3 | Very low | 31.9 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 80 | 141.2 | 163.7 | 70.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 822 | G | 33.7 | Very low | 32.3 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | 156.7 | 31.4 | -179 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 823 | D | 31.1 | Very low | 32.9 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -32.7 | 144.9 | -179.6 | -63.6 | 18.5 | 0 | 0 | 0 | 119.9 | ||||
| 824 | N | 31.6 | Very low | 33.3 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 64.9 | 145 | 150.8 | -49.5 | -22.6 | 0 | 0 | 0 | 117.9 | ||||
| 825 | D | 36.2 | Very low | 33.9 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | cis | -141.4 | -178.6 | 27.7 | -110.8 | -47.1 | 0 | 0 | 0 | 114.5 | ||||
| 826 | V | 33.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 131 Ų | 131 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | -96.6 | 143.4 | -171.4 | 173.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 827 | D | 34.2 | Very low | 35.4 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | -159.5 | 116.9 | 138.5 | -118.5 | -20.3 | 0 | 0 | 0 | 112.9 | ||||
| 828 | D | 33 | Very low | 36.3 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | -87.6 | 115.9 | 176.2 | -98.7 | -52.6 | 0 | 0 | 0 | 110.4 | ||||
| 829 | N | 36.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | -148.2 | -11.6 | 173.3 | -98.7 | -66.2 | 0 | 0 | 0 | 117.6 | L831 | N829-L831 VanDerWaalsContact C-N 3.26Å; N829-L831 PolarHBondContact O-N 2.94Å; N829-L831 VanDerWaalsContact O-N 3.12Å | ||
| 830 | D | 36.4 | Very low | 37.9 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 90% | 0.904 | 71% | 0.708 | S | S | * | * | trans | -87.4 | 24.8 | -170.4 | -132.3 | -4.2 | 0 | 0 | 0 | 114.6 | M832 | D830-M832 PolarHBondContact O-N 3.1Š| ||
| 831 | L | 32.4 | Very low | 38.7 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 84% | 0.843 | 70% | 0.702 | S | S | * | * | trans | -94.2 | 32.1 | -172.9 | -160.8 | 74.2 | 0 | 0 | 0 | 114.6 | N829 | N829-L831 VanDerWaalsContact C-N 3.26Å; N829-L831 PolarHBondContact O-N 2.94Å; N829-L831 VanDerWaalsContact O-N 3.12Å | ||
| 832 | M | 34.6 | Very low | 40.1 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 87% | 0.872 | 69% | 0.688 | S | S | * | * | trans | -149 | 72 | 168.5 | -86 | -55 | 179.8 | 0 | 0 | 113.5 | D830 P834 | D830-M832 PolarHBondContact O-N 3.1Å; M832-P834 WeakPolarHBondContact O-CD 3.47Å | ||
| 833 | N | 39.9 | Very low | 41.1 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 50% | 0.497 | 67% | 0.667 | S | S | . | * | trans | -104.6 | 99.9 | 159.8 | -169.9 | -27.2 | 0 | 0 | 0 | 110.8 | Y835 R836 S837 | N833-Y835 PolarHBondContact O-N 3.13Å; N833-Y835 WeakPolarHBondContact OD1-CB 3.2Å; N833-Y835 PolarHBondContact OD1-N 2.84Å; N833-R836 HydrophobicContact CB-CB 4.28Å; N833-R836 PolarHBondContact O-N 3.05Å; N833-S837 PolarHBondContact O-N 3.22Å | ||
| 834 | P | 37 | Very low | 42.4 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 53% | 0.526 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -64.5 | -22.8 | -176.6 | 25.2 | -33.8 | 0 | 0 | 0 | 113.7 | M832 R836 S837 M838 | M832-P834 WeakPolarHBondContact O-CD 3.47Å; P834-R836 VanDerWaalsContact C-N 3.32Å; P834-S837 WeakPolarHBondContact CA-OG 3.3Å; P834-S837 PolarHBondContact O-OG 3.28Å; P834-M838 WeakPolarHBondContact O-CB 3.41Å; P834-M838 PolarHBondContact O-N 3.23Å |
| 835 | Y | 37.7 | Very low | 43.2 | Very low | 176 Ų | 176 | 125 Ų | 125 | 69% | 0.69 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67 | -34.1 | 171.6 | -85.9 | -91.1 | 0 | 0 | 0 | 112 | N833 L839 | N833-Y835 PolarHBondContact O-N 3.13Å; N833-Y835 WeakPolarHBondContact OD1-CB 3.2Å; N833-Y835 PolarHBondContact OD1-N 2.84Å; Y835-L839 VanDerWaalsContact O-CB 3.3Å; Y835-L839 WeakPolarHBondContact O-CB 3.33Å; Y835-L839 WeakPolarHBondContact O-CD1 3.48Å; Y835-L839 VanDerWaalsContact O-CG 3.23Å; Y835-L839 WeakPolarHBondContact O-CG 3.31Å; Y835-L839 PolarHBondContact O-N 2.88Å |
| 836 | R | 42.9 | Very low | 43.6 | Very low | 186 Ų | 186 | 120.5 Ų | 120.5 | 70% | 0.702 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.6 | -40.8 | -176.7 | -153.4 | 178.6 | -167.1 | -168.9 | 4.8 | 111.5 | N833 P834 I840 | N833-R836 HydrophobicContact CB-CB 4.28Å; N833-R836 PolarHBondContact O-N 3.05Å; P834-R836 VanDerWaalsContact C-N 3.32Å; R836-I840 WeakPolarHBondContact O-CB 3.38Å; R836-I840 WeakPolarHBondContact O-CD1 3.44Å; R836-I840 VanDerWaalsContact O-CG1 3.25Å; R836-I840 WeakPolarHBondContact O-CG1 3.34Å; R836-I840 PolarHBondContact O-N 2.84Å |
| 837 | S | 43.8 | Very low | 44.2 | Very low | 69 Ų | 69 | 120.8 Ų | 120.8 | 48% | 0.483 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.9 | -42.6 | 170.6 | 47 | 0 | 0 | 0 | 0 | 111.7 | N833 P834 L839 I840 E841 | N833-S837 PolarHBondContact O-N 3.22Å; P834-S837 WeakPolarHBondContact CA-OG 3.3Å; P834-S837 PolarHBondContact O-OG 3.28Å; S837-L839 PolarHBondContact O-N 3.46Å; S837-I840 PolarHBondContact O-N 2.95Å; S837-E841 VanDerWaalsContact O-CB 3.29Å; S837-E841 WeakPolarHBondContact O-CB 3.5Å; S837-E841 PolarHBondContact O-N 3.19Å |
| 838 | M | 49.5 | Very low | 44.9 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 61% | 0.606 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.4 | -37 | 176 | -171.4 | -174.2 | -61 | 0 | 0 | 112.7 | P834 R842 | P834-M838 WeakPolarHBondContact O-CB 3.41Å; P834-M838 PolarHBondContact O-N 3.23Å; M838-R842 WeakPolarHBondContact O-CB 3.43Å; M838-R842 PolarHBondContact O-N 3.23Å |
| 839 | L | 46.1 | Very low | 45.3 | Very low | 91 Ų | 91 | 120 Ų | 120 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.4 | -46.2 | 172.4 | -80 | 166.7 | 0 | 0 | 0 | 111.9 | Y835 S837 E841 R842 D843 | Y835-L839 VanDerWaalsContact O-CB 3.3Å; Y835-L839 WeakPolarHBondContact O-CB 3.33Å; Y835-L839 WeakPolarHBondContact O-CD1 3.48Å; Y835-L839 VanDerWaalsContact O-CG 3.23Å; Y835-L839 WeakPolarHBondContact O-CG 3.31Å; Y835-L839 PolarHBondContact O-N 2.88Å; S837-L839 PolarHBondContact O-N 3.46Å; L839-E841 VanDerWaalsContact C-N 3.34Å; L839-E841 PolarHBondContact O-N 3.42Å; L839-R842 PolarHBondContact O-N 2.87Å; L839-D843 WeakPolarHBondContact O-CB 3.36Å; L839-D843 PolarHBondContact O-N 3.33Å |
| 840 | I | 56.8 | Low | 45.3 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 48% | 0.482 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64 | -39.8 | 177.5 | -69.4 | 165.6 | 0 | 0 | 0 | 111 | R836 S837 D843 Q844 | R836-I840 WeakPolarHBondContact O-CB 3.38Å; R836-I840 WeakPolarHBondContact O-CD1 3.44Å; R836-I840 VanDerWaalsContact O-CG1 3.25Å; R836-I840 WeakPolarHBondContact O-CG1 3.34Å; R836-I840 PolarHBondContact O-N 2.84Å; S837-I840 PolarHBondContact O-N 2.95Å; I840-D843 PolarHBondContact O-N 3.45Å; I840-Q844 VanDerWaalsContact O-CB 3.31Å; I840-Q844 WeakPolarHBondContact O-CB 3.45Å; I840-Q844 VanDerWaalsContact O-CG 3.3Å; I840-Q844 WeakPolarHBondContact O-CG 3.4Å; I840-Q844 PolarHBondContact O-N 3Å |
| 841 | E | 56 | Low | 45.5 | Very low | 143 Ų | 143 | 114.9 Ų | 114.9 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.4 | -39.4 | 177.7 | -173.7 | 165.9 | -131.2 | 0 | 0 | 111.8 | S837 L839 Q844 A845 | S837-E841 VanDerWaalsContact O-CB 3.29Å; S837-E841 WeakPolarHBondContact O-CB 3.5Å; S837-E841 PolarHBondContact O-N 3.19Å; L839-E841 VanDerWaalsContact C-N 3.34Å; L839-E841 PolarHBondContact O-N 3.42Å; E841-Q844 PolarHBondContact O-N 3.2Å; E841-A845 WeakPolarHBondContact O-CB 3.43Å; E841-A845 PolarHBondContact O-N 3.36Å |
| 842 | R | 60.3 | Low | 45.6 | Very low | 141 Ų | 141 | 114 Ų | 114 | 53% | 0.532 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.3 | -45.7 | 171.4 | -170.1 | -156.5 | 77.7 | 142.8 | 2.9 | 111.1 | M838 L839 A845 L846 | M838-R842 WeakPolarHBondContact O-CB 3.43Å; M838-R842 PolarHBondContact O-N 3.23Å; L839-R842 PolarHBondContact O-N 2.87Å; R842-A845 PolarHBondContact O-N 3.04Å; R842-L846 HydrophobicContact CG-CD1 4.25Å; R842-L846 WeakPolarHBondContact O-CB 3.4Å; R842-L846 VanDerWaalsContact O-CG 3.27Å; R842-L846 WeakPolarHBondContact O-CG 3.36Å; R842-L846 PolarHBondContact O-N 2.95Å |
| 843 | D | 53.9 | Low | 45.4 | Very low | 71 Ų | 71 | 113.5 Ų | 113.5 | 38% | 0.38 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -74.1 | -31.9 | -178.1 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | L839 I840 L847 | L839-D843 WeakPolarHBondContact O-CB 3.36Å; L839-D843 PolarHBondContact O-N 3.33Å; I840-D843 PolarHBondContact O-N 3.45Å; D843-L847 WeakPolarHBondContact O-CB 3.39Å; D843-L847 WeakPolarHBondContact O-CG 3.29Å; D843-L847 PolarHBondContact O-N 3.11Å |
| 844 | Q | 58.2 | Low | 44.9 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.5 | -36.7 | 166.4 | -77.9 | -171.4 | 46.6 | 0 | 0 | 112.8 | I840 E841 L847 R848 | I840-Q844 VanDerWaalsContact O-CB 3.31Å; I840-Q844 WeakPolarHBondContact O-CB 3.45Å; I840-Q844 VanDerWaalsContact O-CG 3.3Å; I840-Q844 WeakPolarHBondContact O-CG 3.4Å; I840-Q844 PolarHBondContact O-N 3Å; E841-Q844 PolarHBondContact O-N 3.2Å; Q844-L847 PolarHBondContact O-N 3.02Å; Q844-R848 WeakPolarHBondContact O-CB 3.28Å; Q844-R848 VanDerWaalsContact O-CG 3.27Å; Q844-R848 WeakPolarHBondContact O-CG 3.35Å; Q844-R848 PolarHBondContact O-N 3.07Å |
| 845 | A | 49.5 | Very low | 44.4 | Very low | 41 Ų | 41 | 120.7 Ų | 120.7 | 34% | 0.339 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.4 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E841 R842 R848 L849 | E841-A845 WeakPolarHBondContact O-CB 3.43Å; E841-A845 PolarHBondContact O-N 3.36Å; R842-A845 PolarHBondContact O-N 3.04Å; A845-R848 PolarHBondContact O-N 3.43Å; A845-L849 WeakPolarHBondContact O-CD1 3.2Å; A845-L849 PolarHBondContact O-N 2.73Å |
| 846 | L | 43.3 | Very low | 43.8 | Very low | 64 Ų | 64 | 117 Ų | 117 | 34% | 0.335 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.6 | -47 | 171.1 | -70.3 | 166.2 | 0 | 0 | 0 | 110.8 | R842 R848 L849 F850 | R842-L846 HydrophobicContact CG-CD1 4.25Å; R842-L846 WeakPolarHBondContact O-CB 3.4Å; R842-L846 VanDerWaalsContact O-CG 3.27Å; R842-L846 WeakPolarHBondContact O-CG 3.36Å; R842-L846 PolarHBondContact O-N 2.95Å; L846-R848 VanDerWaalsContact C-N 3.32Å; L846-R848 PolarHBondContact O-N 3.04Å; L846-L849 PolarHBondContact O-N 3.14Å; L846-F850 HydrophobicContact CB-CD2 4.38Å; L846-F850 HydrophobicContact CB-CE2 4.24Å; L846-F850 HydrophobicContact CD2-CE2 3.95Å; L846-F850 WeakPolarHBondContact O-CD2 3.49Å; L846-F850 PolarHBondContact O-N 3.39Å |
| 847 | L | 45.4 | Very low | 43 | Very low | 122 Ų | 122 | 113.9 Ų | 113.9 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.7 | -37.9 | 174.3 | -81.7 | 163.1 | 0 | 0 | 0 | 112.8 | D843 Q844 S851 | D843-L847 WeakPolarHBondContact O-CB 3.39Å; D843-L847 WeakPolarHBondContact O-CG 3.29Å; D843-L847 PolarHBondContact O-N 3.11Å; Q844-L847 PolarHBondContact O-N 3.02Å; L847-S851 WeakPolarHBondContact O-CB 3.39Å; L847-S851 PolarHBondContact O-N 2.93Å; L847-S851 PolarHBondContact O-OG 2.77Å |
| 848 | R | 49.9 | Very low | 42.1 | Very low | 172 Ų | 172 | 117.6 Ų | 117.6 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.5 | -33.3 | 175.5 | -73.3 | 174.8 | -169 | 174.9 | 8.8 | 113.3 | Q844 A845 L846 S851 | Q844-R848 WeakPolarHBondContact O-CB 3.28Å; Q844-R848 VanDerWaalsContact O-CG 3.27Å; Q844-R848 WeakPolarHBondContact O-CG 3.35Å; Q844-R848 PolarHBondContact O-N 3.07Å; A845-R848 PolarHBondContact O-N 3.43Å; L846-R848 VanDerWaalsContact C-N 3.32Å; L846-R848 PolarHBondContact O-N 3.04Å; R848-S851 PolarHBondContact O-OG 2.66Å |
| 849 | L | 40.2 | Very low | 40.9 | Very low | 110 Ų | 110 | 120 Ų | 120 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -49.1 | 170.1 | -98.2 | 93.2 | 0 | 0 | 0 | 110 | A845 L846 Y853 | A845-L849 WeakPolarHBondContact O-CD1 3.2Å; A845-L849 PolarHBondContact O-N 2.73Å; L846-L849 PolarHBondContact O-N 3.14Å; L849-Y853 WeakPolarHBondContact O-CD2 3.19Å |
| 850 | F | 38.3 | Very low | 40 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 53% | 0.531 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -81 | -23.2 | -175.1 | -62.1 | -54.9 | 0 | 0 | 0 | 114.3 | L846 N852 Y853 | L846-F850 HydrophobicContact CB-CD2 4.38Å; L846-F850 HydrophobicContact CB-CE2 4.24Å; L846-F850 HydrophobicContact CD2-CE2 3.95Å; L846-F850 WeakPolarHBondContact O-CD2 3.49Å; L846-F850 PolarHBondContact O-N 3.39Å; F850-N852 PolarHBondContact O-N 3.07Å; F850-Y853 PolarHBondContact O-N 2.71Å |
| 851 | S | 39.4 | Very low | 38.4 | Very low | 85 Ų | 85 | 118 Ų | 118 | 59% | 0.594 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -22.9 | -179.6 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | L847 R848 | L847-S851 WeakPolarHBondContact O-CB 3.39Å; L847-S851 PolarHBondContact O-N 2.93Å; L847-S851 PolarHBondContact O-OG 2.77Å; R848-S851 PolarHBondContact O-OG 2.66Å |
| 852 | N | 35.4 | Very low | 37 | Very low | 142 Ų | 142 | 119.2 Ų | 119.2 | 76% | 0.759 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -12.9 | 177.6 | -69.1 | -48.6 | 0 | 0 | 0 | 113.3 | F850 K854 | F850-N852 PolarHBondContact O-N 3.07Å; N852-K854 PolarHBondContact O-N 3.05Å |
| 853 | Y | 29.7 | Very low | 35.4 | Very low | 167 Ų | 167 | 117.7 Ų | 117.7 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | trans | -82.8 | 105.1 | 173.4 | -89.6 | -90.2 | 0 | 0 | 0 | 110.3 | L849 F850 L855 | L849-Y853 WeakPolarHBondContact O-CD2 3.19Å; F850-Y853 PolarHBondContact O-N 2.71Å; Y853-L855 PolarHBondContact O-N 3.45Å | ||
| 854 | K | 30.6 | Very low | 34 | Very low | 211 Ų | 211 | 119.6 Ų | 119.6 | 92% | 0.917 | 61% | 0.611 | S | S | * | * | trans | -72.2 | 60.3 | 169.6 | -162.7 | 179.4 | -175.5 | -179.5 | 0 | 110.7 | N852 | N852-K854 PolarHBondContact O-N 3.05Š| ||
| 855 | L | 26.4 | Very low | 32.5 | Very low | 113 Ų | 113 | 118 Ų | 118 | 59% | 0.592 | 61% | 0.609 | S | S | * | * | trans | -51.5 | 135.5 | 174.9 | -83.3 | 153.8 | 0 | 0 | 0 | 109.4 | Y853 V857 | Y853-L855 PolarHBondContact O-N 3.45Å; L855-V857 PolarHBondContact O-N 2.93Å; L855-V857 VanDerWaalsContact O-N 3.13Å | ||
| 856 | P | 24.6 | Very low | 31.5 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | trans | -63.2 | 119.5 | 175 | 26.5 | -32.6 | 0 | 0 | 0 | 108.6 | I858 | P856-I858 PolarHBondContact O-N 3.26Š| ||
| 857 | V | 25.7 | Very low | 30.7 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 72% | 0.721 | 65% | 0.646 | S | S | * | * | trans | -71.6 | 81.8 | 174 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | L855 Y859 | L855-V857 PolarHBondContact O-N 2.93Å; L855-V857 VanDerWaalsContact O-N 3.13Å; V857-Y859 HydrophobicContact CG1-CD2 4.37Å; V857-Y859 HydrophobicContact CG1-CE2 4.31Å; V857-Y859 PolarHBondContact O-N 2.76Å; V857-Y859 VanDerWaalsContact O-N 3.1Å | ||
| 858 | I | 25.2 | Very low | 29.9 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 75% | 0.754 | 65% | 0.651 | S | S | * | * | trans | -69.7 | 100.9 | 164.7 | -59.4 | 175.5 | 0 | 0 | 0 | 105.6 | P856 | P856-I858 PolarHBondContact O-N 3.26Š| ||
| 859 | Y | 23.6 | Very low | 29 | Very low | 173 Ų | 173 | 123.1 Ų | 123.1 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | trans | -53.7 | 137.9 | 171.3 | -75.9 | -98.6 | 0 | 0 | 0 | 109.4 | V857 S861 | V857-Y859 HydrophobicContact CG1-CD2 4.37Å; V857-Y859 HydrophobicContact CG1-CE2 4.31Å; V857-Y859 PolarHBondContact O-N 2.76Å; V857-Y859 VanDerWaalsContact O-N 3.1Å; Y859-S861 PolarHBondContact O-N 3.33Å | ||
| 860 | P | 26.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | trans | -74.3 | 66.5 | -177.1 | 30.8 | -36 | 0 | 0 | 0 | 111.8 | L863 | P860-L863 HydrophobicContact CB-CD1 4.26Š| ||
| 861 | S | 23.9 | Very low | 27.8 | Very low | 40 Ų | 40 | 124.1 Ų | 124.1 | 28% | 0.28 | 68% | 0.681 | S | S | . | * | trans | -103.5 | 17.2 | -168.6 | -55.3 | 0 | 0 | 0 | 0 | 114.2 | Y859 | Y859-S861 PolarHBondContact O-N 3.33Š| ||
| 862 | K | 26.5 | Very low | 27.2 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 73% | 0.726 | 69% | 0.692 | S | S | * | * | trans | -143.4 | 49.4 | 169.6 | -73.6 | -159.1 | 175 | -170.4 | 0 | 112.6 | ||||
| 863 | L | 26.5 | Very low | 26.7 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 57% | 0.571 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -82 | 123.5 | 160.4 | -82 | 155 | 0 | 0 | 0 | 108.8 | W669 P860 | W669-L863 HydrophobicContact CH2-CB 3.63Å; W669-L863 HydrophobicContact CZ2-CB 4.26Å; W669-L863 HydrophobicContact CZ3-CB 3.85Å; W669-L863 VanDerWaalsContact CZ3-O 3.23Å; W669-L863 WeakPolarHBondContact CZ3-O 3.34Å; P860-L863 HydrophobicContact CB-CD1 4.26Å |
| 864 | C | 24.9 | Very low | 26.6 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 75% | 0.75 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 131.9 | 168.1 | -71.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 865 | P | 26.8 | Very low | 26.3 | Very low | 59 Ų | 59 | 122.5 Ų | 122.5 | 38% | 0.383 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -83.8 | 124.9 | -172.2 | 32.1 | -30.9 | 0 | 0 | 0 | 111.1 | W669 | W669-P865 HydrophobicContact CE3-CB 4.44Å; W669-P865 HydrophobicContact CE3-CG 4.36Å; W669-P865 HydrophobicContact CH2-CB 4.2Å; W669-P865 HydrophobicContact CZ3-CB 3.75Å; W669-P865 HydrophobicContact CZ3-CG 4.01Å |
| 866 | S | 29.1 | Very low | 26.2 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -139.5 | 76.5 | 163.7 | 41.9 | 0 | 0 | 0 | 0 | 108.8 | S868 | S866-S868 PolarHBondContact O-N 2.86Š| ||
| 867 | I | 26.4 | Very low | 26.3 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 65% | 0.646 | 70% | 0.697 | S | S | * | * | trans | -74 | 120 | -178.4 | -55.4 | 176.7 | 0 | 0 | 0 | 109.2 | L663 | L663-I867 HydrophobicContact CD2-CB 4.11Å; L663-I867 HydrophobicContact CD2-CD1 3.73Å; L663-I867 HydrophobicContact CD2-CG1 3.86Å | ||
| 868 | S | 28 | Very low | 26.3 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -131.4 | 107.6 | 154.6 | -173.2 | 0 | 0 | 0 | 0 | 106 | S866 | S866-S868 PolarHBondContact O-N 2.86Š| ||
| 869 | L | 30.2 | Very low | 26.4 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 83% | 0.832 | 70% | 0.703 | S | S | * | * | trans | -100.8 | 118.9 | 176.4 | -167.5 | 76 | 0 | 0 | 0 | 107.9 | ||||
| 870 | E | 26.9 | Very low | 26.4 | Very low | 181 Ų | 181 | 124.8 Ų | 124.8 | 85% | 0.846 | 70% | 0.701 | S | S | * | * | trans | -96 | 157.6 | 173 | -71.5 | 177.1 | 108.2 | 0 | 0 | 110.9 | ||||
| 871 | G | 27.5 | Very low | 26.5 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | 96.5 | 148.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 872 | E | 26.7 | Very low | 26.5 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | cis | -164.3 | 138.5 | -9.7 | -152.1 | -176 | 164.9 | 0 | 0 | 106.6 | ||||
| 873 | T | 25.5 | Very low | 26.5 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | 165.7 | 149.3 | 93.4 | 38.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 874 | V | 26.3 | Very low | 26.7 | Very low | 119 Ų | 119 | 132 Ų | 132 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | 48.2 | 126.4 | 128.6 | 179.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 875 | K | 24.6 | Very low | 26.8 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 73% | 0.726 | 74% | 0.744 | S | S | * | * | cis | -167 | 174.7 | 14.1 | -122.8 | 173.2 | -178.5 | -175.6 | 0 | 111.9 | ||||
| 876 | D | 24.5 | Very low | 26.8 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | trans | 28.5 | 135 | 147.4 | -45.9 | -26.1 | 0 | 0 | 0 | 119.5 | ||||
| 877 | Q | 26.5 | Very low | 26.7 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | cis | -163.8 | 178.8 | 39.1 | -146.9 | 164.2 | 63 | 0 | 0 | 112.6 | ||||
| 878 | S | 25 | Very low | 26.7 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -97 | 152.2 | -168 | 56.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 879 | Q | 27.5 | Very low | 26.6 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | -169.3 | 168.7 | 122.9 | -107.1 | 164.5 | -11.5 | 0 | 0 | 113.9 | |||||
| 880 | S | 25.1 | Very low | 26.4 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -103.8 | 166.2 | -166 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 881 | F | 27.6 | Very low | 26.5 | Very low | 203 Ų | 203 | 135.2 Ų | 135.2 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | -167.6 | 176.9 | 119.1 | -102 | -64.6 | 0 | 0 | 0 | 111.4 | |||||
| 882 | S | 25.1 | Very low | 26.5 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | -129.5 | 170.3 | -149.2 | 68.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 883 | D | 26.6 | Very low | 26.6 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 58.1 | 126.1 | 155.4 | -55.4 | -55.2 | 0 | 0 | 0 | 122.1 | ||||
| 884 | V | 30.9 | Very low | 26.6 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 90% | 0.897 | 73% | 0.73 | S | S | * | * | -160.6 | 147.4 | 117.1 | 138.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 885 | Q | 27 | Very low | 26.7 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -99.7 | 149.9 | -167.8 | -72.1 | -175.6 | -9.1 | 0 | 0 | 115.7 | ||||
| 886 | S | 26.6 | Very low | 26.9 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | 43.6 | 118 | 134.5 | -54.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 887 | A | 26.4 | Very low | 27 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 79% | 0.793 | 73% | 0.733 | S | S | * | * | -171 | 117.2 | 118.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 888 | T | 25.7 | Very low | 26.9 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | 76.9 | 96.6 | 58.5 | -55.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 889 | L | 26.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | trans | -157 | 123.7 | 145 | -95 | 163.7 | 0 | 0 | 0 | 105.4 | ||||
| 890 | N | 26.7 | Very low | 27.1 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | cis | 61.8 | 134.2 | 48 | -76.5 | -23.1 | 0 | 0 | 0 | 113.8 | ||||
| 891 | H | 28.8 | Very low | 27 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | cis | -170.6 | 132.6 | -12.7 | -149.9 | 96.3 | 0 | 0 | 0 | 108.6 | ||||
| 892 | S | 27.9 | Very low | 27.1 | Very low | 77 Ų | 77 | 124 Ų | 124 | 54% | 0.538 | 73% | 0.731 | S | S | . | * | trans | -159.9 | 140.7 | 165.1 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 893 | Q | 28.4 | Very low | 27.1 | Very low | 163 Ų | 163 | 128 Ų | 128 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -110.4 | 148.7 | -179.5 | -59.4 | 170.1 | -6.7 | 0 | 0 | 109.9 | ||||
| 894 | I | 24.9 | Very low | 27.2 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 43% | 0.431 | 74% | 0.744 | S | S | . | * | trans | -129.3 | 155.1 | 154.7 | -79.2 | -160.1 | 0 | 0 | 0 | 111.8 | N630 E631 V634 | N630-I894 HydrophobicContact CB-CD1 3.91Å; N630-I894 HydrophobicContact CB-CG1 4.29Å; N630-I894 VanDerWaalsContact O-CD1 3.22Å; N630-I894 WeakPolarHBondContact O-CD1 3.36Å; E631-I894 HydrophobicContact CG-CD1 4.1Å; V634-I894 HydrophobicContact CB-CB 4.41Å; V634-I894 HydrophobicContact CB-CD1 3.93Å; V634-I894 HydrophobicContact CB-CG1 4.36Å; V634-I894 HydrophobicContact CG1-CB 4.34Å; V634-I894 HydrophobicContact CG1-CG2 4.4Å; V634-I894 HydrophobicContact CG2-CB 3.9Å; V634-I894 HydrophobicContact CG2-CD1 3.74Å; V634-I894 HydrophobicContact CG2-CG1 3.72Å | ||
| 895 | K | 28.4 | Very low | 27 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | trans | -120.2 | 145.7 | -160.9 | -176 | 175.8 | -178.3 | 174.5 | 0 | 110.3 | ||||
| 896 | T | 30.4 | Very low | 27.4 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 64% | 0.644 | 71% | 0.71 | S | S | * | * | trans | -65.5 | 142.7 | -173.1 | 55.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 897 | T | 25.5 | Very low | 27.7 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -150.2 | 123.8 | 150.4 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 898 | S | 25.2 | Very low | 28 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | 39.3 | 134.1 | 145.4 | 59.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 899 | S | 31.1 | Very low | 28.3 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | trans | -54.5 | 155.4 | 162.7 | -42.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 900 | P | 24.9 | Very low | 28.6 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | -139.6 | 165.4 | 106.6 | 39.3 | -29.3 | 0 | 0 | 0 | 113.9 | |||||
| 901 | G | 23.5 | Very low | 28.7 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | trans | -85.5 | 149 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 902 | N | 29.3 | Very low | 28.7 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | trans | 49.2 | 101.7 | 170.7 | -88.1 | -15.8 | 0 | 0 | 0 | 117.6 | ||||
| 903 | M | 25.9 | Very low | 28.7 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 85% | 0.852 | 70% | 0.695 | S | S | * | * | -174.9 | 118.5 | 124.8 | -104.4 | 170.4 | -72.8 | 0 | 0 | 114.6 | |||||
| 904 | K | 26.8 | Very low | 28.6 | Very low | 175 Ų | 175 | 124 Ų | 124 | 76% | 0.761 | 69% | 0.685 | S | S | * | * | trans | 56.3 | 132.5 | 145.8 | -60.4 | -177.5 | 179.1 | -177.3 | 0 | 120.9 | S906 | K904-S906 PolarHBondContact O-N 3.23Š| ||
| 905 | N | 28.6 | Very low | 28.6 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 59% | 0.594 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -72.4 | 79.7 | 169.9 | -60.2 | -6.4 | 0 | 0 | 0 | 111 | F1191 | N905-F1191 WeakPolarHBondContact ND2-CZ 3.44Š|
| 906 | S | 35.4 | Very low | 28.5 | Very low | 51 Ų | 51 | 120.8 Ų | 120.8 | 36% | 0.357 | 70% | 0.703 | S | S | . | * | trans | -149.2 | 29.8 | -179.7 | 74.2 | 0 | 0 | 0 | 0 | 114.7 | K904 Q910 | K904-S906 PolarHBondContact O-N 3.23Å; S906-Q910 WeakPolarHBondContact O-CG 3.29Å | ||
| 907 | K | 32.4 | Very low | 28.2 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -110.3 | -34.4 | 179.3 | -87.8 | -170.6 | 171 | -173.4 | 0 | 115.2 | E909 Q910 L911 | K907-E909 VanDerWaalsContact C-N 3.27Å; K907-E909 PolarHBondContact O-N 3.07Å; K907-Q910 WeakPolarHBondContact O-CB 3.38Å; K907-Q910 PolarHBondContact O-N 3.04Å; K907-L911 PolarHBondContact O-N 3.22Å |
| 908 | L | 31.5 | Very low | 28.2 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -63.6 | -37.3 | 170.5 | -81.1 | 163 | 0 | 0 | 0 | 111.1 | Q910 L911 L912 | L908-Q910 PolarHBondContact O-N 2.82Å; L908-L911 PolarHBondContact O-N 3.38Å; L908-L912 WeakPolarHBondContact O-CD1 3.34Å; L908-L912 PolarHBondContact O-N 3.45Å |
| 909 | E | 33.6 | Very low | 28.2 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.9 | -17 | 170.4 | -64 | 179.4 | 159.1 | 0 | 0 | 113.6 | K907 V913 | K907-E909 VanDerWaalsContact C-N 3.27Å; K907-E909 PolarHBondContact O-N 3.07Å; E909-V913 WeakPolarHBondContact O-CB 3.48Å; E909-V913 WeakPolarHBondContact O-CG2 3.44Å; E909-V913 PolarHBondContact O-N 2.96Å |
| 910 | Q | 31.6 | Very low | 27.9 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 61% | 0.607 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -90.5 | -11 | 174.6 | -69.2 | -179.3 | -11.9 | 0 | 0 | 113.4 | S906 K907 L908 | S906-Q910 WeakPolarHBondContact O-CG 3.29Å; K907-Q910 WeakPolarHBondContact O-CB 3.38Å; K907-Q910 PolarHBondContact O-N 3.04Å; L908-Q910 PolarHBondContact O-N 2.82Å |
| 911 | L | 28.6 | Very low | 27.9 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -97.4 | -27.1 | 169.1 | -83.2 | 163.6 | 0 | 0 | 0 | 112.4 | K907 L908 V913 | K907-L911 PolarHBondContact O-N 3.22Å; L908-L911 PolarHBondContact O-N 3.38Å; L911-V913 VanDerWaalsContact C-N 3.31Å |
| 912 | L | 28.5 | Very low | 28 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 72% | 0.723 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -77.1 | -12.1 | 169.1 | -86.6 | 83.6 | 0 | 0 | 0 | 113.9 | L908 V914 | L908-L912 WeakPolarHBondContact O-CD1 3.34Å; L908-L912 PolarHBondContact O-N 3.45Å; L912-V914 VanDerWaalsContact C-N 3.29Å; L912-V914 PolarHBondContact O-N 3.02Å |
| 913 | V | 29 | Very low | 27.8 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -94.3 | 43.6 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | E909 L911 | E909-V913 WeakPolarHBondContact O-CB 3.48Å; E909-V913 WeakPolarHBondContact O-CG2 3.44Å; E909-V913 PolarHBondContact O-N 2.96Å; L911-V913 VanDerWaalsContact C-N 3.31Å |
| 914 | V | 26.5 | Very low | 27.7 | Very low | 91 Ų | 91 | 124 Ų | 124 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -139.3 | 48.7 | 165.3 | -159.9 | 0 | 0 | 0 | 0 | 111 | L912 | L912-V914 VanDerWaalsContact C-N 3.29Å; L912-V914 PolarHBondContact O-N 3.02Å |
| 915 | S | 24.6 | Very low | 27.5 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -152 | 112.3 | 165.9 | -79 | 0 | 0 | 0 | 0 | 109.6 | ||
| 916 | G | 25.3 | Very low | 27.3 | Very low | 70 Ų | 70 | 120.8 Ų | 120.8 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | trans | 86.8 | 132.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 917 | E | 25.5 | Very low | 26.8 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | cis | -146.2 | 142.8 | -11.2 | -89.7 | -168.8 | 106.8 | 0 | 0 | 110.8 | ||||
| 918 | I | 24.9 | Very low | 26.4 | Very low | 149 Ų | 149 | 122.5 Ų | 122.5 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | trans | 58.5 | 137.1 | 144 | -58.3 | 169.3 | 0 | 0 | 0 | 118.9 | ||||
| 919 | A | 24 | Very low | 26 | Very low | 36 Ų | 36 | 123.8 Ų | 123.8 | 30% | 0.298 | 70% | 0.704 | S | S | . | * | trans | -90.1 | 164.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | I610 | I610-A919 HydrophobicContact CG2-CB 3.84Š| ||
| 920 | S | 26.4 | Very low | 26.3 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -131.8 | 91.2 | 153.7 | -70.9 | 0 | 0 | 0 | 0 | 108.3 | T922 | S920-T922 PolarHBondContact O-N 3.4Š| ||
| 921 | N | 23.1 | Very low | 26.1 | Very low | 123 Ų | 123 | 123 Ų | 123 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | -73.7 | 122.9 | 174.7 | -68 | -11.8 | 0 | 0 | 0 | 109.2 | ||||
| 922 | T | 26.6 | Very low | 26 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | trans | -140.5 | 98.7 | 159.1 | -58.2 | 0 | 0 | 0 | 0 | 107.7 | S920 | S920-T922 PolarHBondContact O-N 3.4Š| ||
| 923 | E | 24.5 | Very low | 25.9 | Very low | 179 Ų | 179 | 124.1 Ų | 124.1 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | trans | -59.6 | 148.5 | 163.6 | -53.7 | 172 | 104.8 | 0 | 0 | 109.5 | ||||
| 924 | V | 23.7 | Very low | 25.6 | Very low | 140 Ų | 140 | 124 Ų | 124 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | trans | -174.6 | 128.1 | 131.4 | 139.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 925 | S | 23.2 | Very low | 25.5 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | 31.3 | 103.8 | 151.9 | -153.2 | 0 | 0 | 0 | 0 | 120.4 | I927 | S925-I927 PolarHBondContact O-N 3.1Š| ||
| 926 | V | 24.5 | Very low | 25.5 | Very low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | 15 | 107.7 | 107.4 | -175.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 927 | I | 24.1 | Very low | 25.5 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | trans | -144.2 | 126.7 | 146.6 | -60.3 | -173.3 | 0 | 0 | 0 | 109.2 | S925 | S925-I927 PolarHBondContact O-N 3.1Š| ||
| 928 | P | 25.2 | Very low | 25.5 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | trans | -101 | 170.4 | 173.9 | 38 | -34.2 | 0 | 0 | 0 | 114.3 | ||||
| 929 | K | 22.4 | Very low | 25.6 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | 102.1 | 136.8 | 166.6 | -58.7 | -176.5 | 177.8 | -176.9 | 0 | 117.3 | K941 | K929-K941 PolarHBondContact NZ-O 3.25Š| ||
| 930 | T | 40 | Very low | 25.6 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 83% | 0.828 | 74% | 0.744 | S | S | * | * | trans | -73.4 | 169.1 | 174.4 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 931 | P | 27.5 | Very low | 25.7 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | -152.3 | 157.4 | 119.4 | 37.8 | -21.6 | 0 | 0 | 0 | 118.9 | |||||
| 932 | S | 25.9 | Very low | 25.7 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | 75 | 151.4 | 145.8 | 76.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 933 | K | 26.9 | Very low | 25.6 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | cis | -153 | 159.9 | -9.6 | -123.8 | 169.7 | 176.8 | -177.8 | 0 | 107.1 | ||||
| 934 | P | 22.4 | Very low | 25.6 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | S | Bend | cis | -63.4 | 155.8 | 21.7 | -25.6 | 38.1 | 0 | 0 | 0 | 114.5 | ||
| 935 | S | 25.7 | Very low | 25.6 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 57% | 0.573 | 72% | 0.723 | S | S | * | * | cis | 61.5 | 116.3 | 42.4 | 69 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 936 | T | 24.7 | Very low | 25.6 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 72% | 0.721 | S | S | * | * | cis | -131.3 | 146.3 | 40.8 | -67.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 937 | E | 23.3 | Very low | 25.6 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | trans | 68.7 | 131.9 | 164 | -80.3 | -164.1 | 143.9 | 0 | 0 | 124.3 | ||||
| 938 | K | 26.7 | Very low | 25.5 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | trans | 68.4 | 105.6 | 140.5 | -68.2 | 165 | -178.6 | 149.7 | 0 | 121.5 | ||||
| 939 | S | 26.5 | Very low | 25.5 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | 71.3 | 134.6 | 134.1 | -157.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 940 | V | 24.9 | Very low | 25.9 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | cis | 160.2 | 153.5 | -23.7 | 145.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 941 | K | 27 | Very low | 25.1 | Very low | 169 Ų | 169 | 127.6 Ų | 127.6 | 74% | 0.735 | 73% | 0.726 | S | S | * | * | trans | 77.1 | 111.4 | 171.9 | -78.9 | 167.2 | 179.7 | -179.2 | 0 | 119.2 | K929 | K929-K941 PolarHBondContact NZ-O 3.25Š| ||
| 942 | V | 23.9 | Very low | 25 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | 48.6 | 159.3 | 83.2 | -174.9 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 943 | V | 25 | Very low | 25 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | 86.3 | 136.1 | 179.6 | -170.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 944 | N | 24.1 | Very low | 24.9 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | cis | 164.2 | 165.2 | -38.5 | -90.6 | 5.3 | 0 | 0 | 0 | 106.4 | ||||
| 945 | K | 23.7 | Very low | 25.4 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | trans | 74.7 | 120.2 | 153.9 | -85.2 | -162 | 172.2 | -167.3 | 0 | 120.6 | ||||
| 946 | T | 23.9 | Very low | 25.8 | Very low | 96 Ų | 96 | 128 Ų | 128 | 59% | 0.589 | 74% | 0.742 | S | S | * | * | 90.3 | 118.4 | 112.6 | -62 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 947 | E | 23.4 | Very low | 25.9 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | 65.6 | 158.6 | 145.8 | -70.6 | 155.2 | -157.9 | 0 | 0 | 123.1 | ||||
| 948 | A | 22.8 | Very low | 26.4 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | 69.4 | 102.8 | 152 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 949 | V | 24.1 | Very low | 26.7 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | 2.4 | 138.8 | 109.6 | -176.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 950 | P | 31.2 | Very low | 26.8 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | cis | -136.3 | -174.1 | -14.1 | 39.7 | -21.3 | 0 | 0 | 0 | 115.7 | ||||
| 951 | S | 24.1 | Very low | 27 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 83.1 | 149.3 | 142.1 | 73.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 952 | S | 24.5 | Very low | 27.2 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | 72.4 | 101.5 | 159.4 | 45.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 953 | V | 26.3 | Very low | 27.4 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | 38.4 | 116.4 | 125.2 | -166 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 954 | S | 25.2 | Very low | 27.7 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | -178.9 | 132.5 | 113.4 | -76.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 955 | T | 32 | Very low | 27.8 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -81.3 | -179.2 | 162.2 | 41.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 956 | P | 33.9 | Very low | 28.2 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | cis | -130.9 | -177.7 | 14.8 | 36.3 | -11.5 | 0 | 0 | 0 | 113.8 | ||||
| 957 | L | 27.5 | Very low | 28.5 | Very low | 170 Ų | 170 | 120.9 Ų | 120.9 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | -156 | 162.5 | 64.9 | -83.7 | 162.5 | 0 | 0 | 0 | 114 | |||||
| 958 | S | 33.1 | Very low | 28.9 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -129.4 | -155.2 | -179.6 | -145.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 959 | P | 33.9 | Very low | 29.2 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 62% | 0.623 | 75% | 0.748 | S | S | * | * | cis | -137.2 | -175.7 | -11.8 | 29.9 | -5.4 | 0 | 0 | 0 | 114.6 | ||||
| 960 | N | 28.2 | Very low | 29.6 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | 173.6 | 149.2 | 118.1 | -87.8 | -20.9 | 0 | 0 | 0 | 113.2 | |||||
| 961 | T | 30.2 | Very low | 29.5 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -160.5 | 157.3 | -167.1 | -41.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 962 | P | 30 | Very low | 29.6 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -128.1 | 145 | 137.9 | 34.7 | -23.2 | 0 | 0 | 0 | 112.1 | ||||
| 963 | T | 29.4 | Very low | 29.8 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | cis | 84.6 | 118.7 | 27.4 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 964 | S | 30.1 | Very low | 29.8 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -167.7 | 159.3 | -9.6 | 49.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 965 | V | 26.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 128 Ų | 128 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | -107.3 | 138.4 | 165.5 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | T967 | V965-T967 HydrophobicContact CG1-CG2 4.33Š| ||
| 966 | I | 31.6 | Very low | 29.5 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -98.4 | 106.2 | 174.4 | -57.9 | 177.5 | 0 | 0 | 0 | 110.4 | ||||
| 967 | T | 30.2 | Very low | 29.2 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | trans | -129.3 | 93.5 | 159.9 | 52.5 | 0 | 0 | 0 | 0 | 109.2 | V965 K969 | V965-T967 HydrophobicContact CG1-CG2 4.33Å; T967-K969 PolarHBondContact O-N 2.96Å; T967-K969 VanDerWaalsContact O-N 3.14Å | ||
| 968 | S | 30.9 | Very low | 29.1 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -76 | 96.9 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 969 | K | 29.3 | Very low | 28.7 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 125.2 | 164.6 | -170.5 | 178.8 | -175.1 | 179.7 | 0 | 108 | T967 | T967-K969 PolarHBondContact O-N 2.96Å; T967-K969 VanDerWaalsContact O-N 3.14Å |
| 970 | P | 32.4 | Very low | 28.3 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 140 | 173.6 | 27.2 | -33 | 0 | 0 | 0 | 109.8 | ||
| 971 | S | 30.6 | Very low | 28.2 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 142.9 | -172.7 | 49 | 0 | 0 | 0 | 0 | 112.9 | I973 | S971-I973 PolarHBondContact O-N 3.06Š|
| 972 | N | 26.3 | Very low | 27.9 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 90% | 0.904 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128.5 | 165 | -85.8 | -30.8 | 0 | 0 | 0 | 111.1 | ||
| 973 | I | 28.9 | Very low | 27.7 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | -131.6 | 137.1 | 151 | -62.3 | -176.2 | 0 | 0 | 0 | 106.2 | S971 | S971-I973 PolarHBondContact O-N 3.06Š| ||
| 974 | A | 24.8 | Very low | 27.5 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -79.2 | 168.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 975 | F | 26.4 | Very low | 27.3 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 84% | 0.842 | 72% | 0.721 | S | S | * | * | -173.7 | 107.5 | 114 | -95.2 | -64.5 | 0 | 0 | 0 | 112.7 | |||||
| 976 | N | 25.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | 56.4 | 169 | 127.1 | -148.5 | 3.5 | 0 | 0 | 0 | 122.2 | |||||
| 977 | L | 26.7 | Very low | 27.1 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | trans | 84.5 | 88.3 | 159.1 | -65.9 | 158 | 0 | 0 | 0 | 120.5 | ||||
| 978 | T | 26.9 | Very low | 26.9 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | 68.3 | 132.1 | 126.5 | -2.9 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 979 | R | 23.5 | Very low | 26.7 | Very low | 212 Ų | 212 | 129.3 Ų | 129.3 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -74.8 | 154.4 | 160.3 | 160.3 | -171 | -70.1 | 170 | -3.8 | 111.5 | ||
| 980 | N | 24.8 | Very low | 26.6 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 60% | 0.604 | 72% | 0.716 | S | S | * | * | trans | 73.9 | 120.6 | 176.8 | -55.8 | -25.3 | 0 | 0 | 0 | 116.1 | ||||
| 981 | Q | 26.4 | Very low | 26.3 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 54% | 0.542 | 72% | 0.717 | S | S | . | * | 176.4 | 133.6 | 105.3 | -94.3 | 171.6 | 80.7 | 0 | 0 | 115.4 | N493 | N493-Q981 VanDerWaalsContact ND2-CD 3.29Å; N493-Q981 PolarHBondContact ND2-OE1 3.47Å; N493-Q981 WeakPolarHBondContact OD1-CG 3.45Å; N493-Q981 PolarHBondContact OD1-OE1 3.09Å | |||
| 982 | I | 25.4 | Very low | 26.1 | Very low | 100 Ų | 100 | 127 Ų | 127 | 51% | 0.513 | 71% | 0.714 | S | S | . | * | 54.6 | 98.1 | 129.4 | -55.7 | 172.4 | 0 | 0 | 0 | 119.4 | |||||
| 983 | A | 24.5 | Very low | 26.2 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | 60.7 | 174.4 | 120.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 984 | N | 25.7 | Very low | 25.9 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | 71.7 | 97.4 | 164.1 | -57.9 | -17.6 | 0 | 0 | 0 | 118.2 | ||||
| 985 | S | 25.4 | Very low | 25.8 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | trans | -34.3 | 160.8 | 130.7 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 986 | P | 29 | Very low | 25.9 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 69% | 0.688 | 71% | 0.705 | S | S | * | * | cis | -163.9 | -175.1 | 46.2 | 48.2 | -26.1 | 0 | 0 | 0 | 120.2 | ||||
| 987 | T | 25.1 | Very low | 25.8 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | 64.4 | 157.2 | 148.8 | -26.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 988 | V | 26.7 | Very low | 25.8 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 67% | 0.673 | 70% | 0.695 | S | S | * | * | trans | 72 | 113.5 | 161.3 | -174.4 | 0 | 0 | 0 | 0 | 115.3 | P990 | V988-P990 HydrophobicContact CG1-CG 4.2Š| ||
| 989 | S | 26.7 | Very low | 25.8 | Very low | 117 Ų | 117 | 118 Ų | 118 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | cis | 58.1 | 94.5 | 3.4 | -61.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 990 | P | 27.7 | Very low | 26 | Very low | 106 Ų | 106 | 113.4 Ų | 113.4 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | -110 | 148.6 | 117.5 | -9.5 | 30.1 | 0 | 0 | 0 | 110.7 | V988 | V988-P990 HydrophobicContact CG1-CG 4.2Š| |||
| 991 | L | 26.2 | Very low | 26.1 | Very low | 154 Ų | 154 | 115.4 Ų | 115.4 | 81% | 0.806 | 70% | 0.698 | S | S | * | * | 67.4 | 134.9 | 72.8 | -134 | 71.3 | 0 | 0 | 0 | 110.1 | |||||
| 992 | V | 26.3 | Very low | 26.2 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 66% | 0.655 | 70% | 0.704 | S | S | * | * | cis | -151.4 | 141.1 | 36.6 | -171.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 993 | N | 27.8 | Very low | 26.3 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | trans | 40.7 | 135.3 | 153.2 | -58.1 | 5.1 | 0 | 0 | 0 | 120.2 | ||||
| 994 | S | 21.8 | Very low | 26.5 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | cis | 54.3 | 90.8 | 21.9 | -72.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 995 | A | 24 | Very low | 26.7 | Very low | 88 Ų | 88 | 118.5 Ų | 118.5 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | 81.8 | 154.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 996 | P | 27.2 | Very low | 26.7 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | cis | -136.2 | -162.9 | -13.2 | 22.4 | 4.4 | 0 | 0 | 0 | 113.8 | ||||
| 997 | V | 24.9 | Very low | 26.5 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | 83.8 | 91.4 | 153.1 | -169.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 998 | S | 25.1 | Very low | 26.6 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 53% | 0.531 | 70% | 0.702 | S | S | . | * | trans | 54.6 | 149.7 | 132.7 | 81.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 999 | N | 26.9 | Very low | 26.5 | Very low | 135 Ų | 135 | 117 Ų | 117 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | trans | 71.6 | 147.5 | 151.4 | -63 | -12.2 | 0 | 0 | 0 | 117.4 | ||||
| 1000 | V | 27.6 | Very low | 26.4 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | cis | -162.7 | 146.2 | -24.8 | 113 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1001 | K | 28.1 | Very low | 26.3 | Very low | 155 Ų | 155 | 120.1 Ų | 120.1 | 67% | 0.674 | 68% | 0.679 | S | S | * | * | trans | 59.4 | 139.5 | 158.5 | -83.3 | 165.2 | 144.7 | -93.8 | 0 | 123.5 | ||||
| 1002 | E | 28.7 | Very low | 26.4 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | trans | 80.4 | 122.2 | 131.2 | -73.3 | 163.3 | 156.5 | 0 | 0 | 125.4 | ||||
| 1003 | S | 27.8 | Very low | 26.3 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | 82.5 | 140.8 | 136 | 58.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1004 | D | 28.2 | Very low | 26.3 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -53 | 166.5 | 159.4 | -70.2 | -72.7 | 0 | 0 | 0 | 113.3 | ||||
| 1005 | P | 30.3 | Very low | 26.4 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | cis | -147.6 | 178.7 | 23.4 | 44.1 | -24.2 | 0 | 0 | 0 | 118.6 | ||||
| 1006 | K | 25.5 | Very low | 26.5 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 73% | 0.73 | 68% | 0.678 | S | S | * | * | trans | 37.7 | 75.4 | 141.2 | -63.4 | 177.8 | 178.8 | -179.2 | 0 | 121.4 | ||||
| 1007 | T | 24.5 | Very low | 26.5 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 55% | 0.546 | 68% | 0.676 | S | S | . | * | trans | 60.4 | 160.5 | 130 | -25.5 | 0 | 0 | 0 | 0 | 121.9 | S1301 V1302 T1303 | T1007-S1301 CarbonylContact O-C 3.53Å; T1007-S1301 WeakPolarHBondContact O-CA 3.26Å; T1007-V1302 CarbonylContact C-O 3.49Å; T1007-V1302 WeakPolarHBondContact CG2-O 3.42Å; T1007-V1302 PolarHBondContact O-N 2.82Å; T1007-T1303 VanDerWaalsContact CG2-O 3.22Å; T1007-T1303 WeakPolarHBondContact CG2-O 3.42Å | ||
| 1008 | T | 25.8 | Very low | 26.6 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | trans | -155.9 | 139.6 | 171.7 | -73.2 | 0 | 0 | 0 | 0 | 116.6 | G1300 S1301 V1302 | T1008-G1300 PolarHBondContact OG1-O 2.71Å; T1008-S1301 WeakPolarHBondContact OG1-CB 3.37Å; T1008-S1301 PolarHBondContact OG1-OG 3.44Å; T1008-V1302 CarbonylContact C-O 3.57Å; T1008-V1302 WeakPolarHBondContact CA-O 3.31Å; T1008-V1302 PolarHBondContact N-O 3.05Å | ||
| 1009 | T | 24.5 | Very low | 26.6 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 39% | 0.387 | 69% | 0.691 | S | S | . | * | trans | -122.6 | 143.5 | 148.3 | 45.9 | 0 | 0 | 0 | 0 | 112.6 | V1302 T1303 | T1009-V1302 PolarHBondContact N-O 2.9Å; T1009-T1303 WeakPolarHBondContact CB-OG1 3.45Å; T1009-T1303 WeakPolarHBondContact CG2-OG1 3.43Å; T1009-T1303 PolarHBondContact N-OG1 3.16Å; T1009-T1303 PolarHBondContact OG1-OG1 3.46Å | ||
| 1010 | F | 25.8 | Very low | 26.7 | Very low | 170 Ų | 170 | 128 Ų | 128 | 75% | 0.746 | 69% | 0.691 | S | S | * | * | trans | -162.7 | 118.4 | 135.3 | -102.2 | -80.8 | 0 | 0 | 0 | 103.9 | ||||
| 1011 | Q | 25.9 | Very low | 26.7 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | 63 | 107.8 | 59.7 | -160.8 | -153.2 | 54.3 | 0 | 0 | 114.1 | S1576 | Q1011-S1576 PolarHBondContact NE2-OG 2.73Å; Q1011-S1576 VanDerWaalsContact NE2-OG 3.09Å | |||
| 1012 | Q | 26.8 | Very low | 26.6 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | 164.1 | 149 | 152.3 | -92.8 | 173.8 | 35.8 | 0 | 0 | 107.6 | ||||
| 1013 | S | 25.9 | Very low | 26.6 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | cis | -166.8 | -175 | -24.1 | -80.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1014 | F | 26.2 | Very low | 26.8 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 83% | 0.829 | 70% | 0.695 | S | S | * | * | cis | -149.6 | -165.4 | 10.9 | -72.1 | -84.1 | 0 | 0 | 0 | 108.1 | ||||
| 1015 | S | 25.5 | Very low | 26.6 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | -170.4 | 165 | -68.6 | -161.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1016 | L | 25.9 | Very low | 26.4 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | trans | 66.1 | 143.4 | 177.6 | -77.3 | 64.3 | 0 | 0 | 0 | 117.4 | ||||
| 1017 | G | 26.9 | Very low | 26.4 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | cis | 155.8 | 174.4 | -13 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1018 | I | 27.1 | Very low | 26.7 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | 71.4 | 129.9 | 152.9 | -62.1 | 168.4 | 0 | 0 | 0 | 116.2 | ||||
| 1019 | K | 25.3 | Very low | 26.8 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | cis | -157.1 | 169.5 | -4.6 | -115.2 | 179.9 | -175.3 | 178 | 0 | 110.1 | ||||
| 1020 | P | 29.2 | Very low | 26.8 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | -105.9 | 177.8 | -174.7 | 41.9 | -35.5 | 0 | 0 | 0 | 114.8 | ||||
| 1021 | I | 27 | Very low | 26.8 | Very low | 149 Ų | 149 | 136 Ų | 136 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | trans | -178.8 | 113.4 | 147.5 | -96.1 | 150 | 0 | 0 | 0 | 107.7 | ||||
| 1022 | Q | 26.3 | Very low | 26.8 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | 59.4 | 109.4 | 94.7 | -83.3 | -177.9 | -33.2 | 0 | 0 | 114.7 | |||||
| 1023 | Q | 27.5 | Very low | 26.8 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | 82.2 | 165.2 | 82.8 | -82.7 | -170 | -29.6 | 0 | 0 | 113.1 | |||||
| 1024 | P | 32.6 | Very low | 26.8 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | -134.6 | 176.5 | -63.3 | 39.4 | -22.8 | 0 | 0 | 0 | 112.5 | |||||
| 1025 | L | 24.8 | Very low | 26.8 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -159.6 | 161.5 | 145.7 | -141.4 | 60.1 | 0 | 0 | 0 | 115.3 | ||||
| 1026 | F | 24.8 | Very low | 26.8 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | -67.8 | 172.7 | 174.6 | -71.8 | -96.8 | 0 | 0 | 0 | 111.6 | ||||
| 1027 | T | 26.3 | Very low | 26.8 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | cis | -162.6 | 159.4 | 48.9 | -40.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1028 | Q | 29.8 | Very low | 26.7 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -69.6 | 171 | 172.6 | -140.7 | 173.8 | 18.1 | 0 | 0 | 112.1 | ||||
| 1029 | P | 27.7 | Very low | 26.7 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | -151.4 | 161 | 89.9 | 39.3 | -21.4 | 0 | 0 | 0 | 118 | |||||
| 1030 | N | 25.2 | Very low | 26.7 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | trans | 20.8 | 140.5 | 152.7 | -65.1 | -9.8 | 0 | 0 | 0 | 123 | ||||
| 1031 | V | 26.9 | Very low | 26.5 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | cis | 83.9 | 112.9 | 21.7 | -174.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 1032 | T | 24.9 | Very low | 26.5 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 83% | 0.828 | 73% | 0.731 | S | S | * | * | trans | -172.5 | 147 | 138.9 | 28.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1033 | S | 26.5 | Very low | 26.4 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | cis | -167.8 | 164.9 | -9.2 | 46.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1034 | A | 25.9 | Very low | 26.3 | Very low | 77 Ų | 77 | 123.2 Ų | 123.2 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | cis | -148.2 | 133.3 | 18.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1035 | F | 26.6 | Very low | 25.9 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 77% | 0.772 | 73% | 0.729 | S | S | * | * | 68.6 | 146.7 | 99.1 | -65.5 | -67.2 | 0 | 0 | 0 | 115.3 | V1037 | F1035-V1037 HydrophobicContact CD1-CG2 4.43Š| |||
| 1036 | T | 25.6 | Very low | 26 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | cis | -147.2 | 125.5 | 21 | -20.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1037 | V | 25.2 | Very low | 26.1 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | 50.7 | 123.4 | 125 | -179.1 | 0 | 0 | 0 | 0 | 118.9 | F1035 | F1035-V1037 HydrophobicContact CD1-CG2 4.43Š| |||
| 1038 | S | 24.9 | Very low | 26 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | cis | 87.8 | 131.5 | 22.6 | 92.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1039 | S | 27.1 | Very low | 25.8 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -152.7 | 119.2 | 166.1 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1040 | T | 26.2 | Very low | 25.7 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 80% | 0.798 | 70% | 0.702 | S | S | * | * | trans | -13.5 | 132.7 | 154.3 | 49 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1041 | A | 24.8 | Very low | 25.7 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | cis | 70.8 | 112 | 44 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1042 | N | 26.2 | Very low | 25.6 | Very low | 142 Ų | 142 | 113.2 Ų | 113.2 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | -177.8 | 125.5 | 127.8 | -95.6 | -22.9 | 0 | 0 | 0 | 115 | |||||
| 1043 | N | 25.6 | Very low | 25.6 | Very low | 139 Ų | 139 | 112.9 Ų | 112.9 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | trans | 64.5 | 152.8 | 135.4 | -62.4 | -18.2 | 0 | 0 | 0 | 125.6 | ||||
| 1044 | S | 25.5 | Very low | 25.6 | Very low | 104 Ų | 104 | 116.2 Ų | 116.2 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | 76.5 | 83.2 | 147.8 | 36.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1045 | S | 24.2 | Very low | 25.4 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | 63.1 | 142.7 | 113.5 | 65.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1046 | N | 25.7 | Very low | 25.4 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | 75.3 | 152.1 | 168.4 | -49.4 | -34 | 0 | 0 | 0 | 114.4 | ||||
| 1047 | L | 27.6 | Very low | 25.3 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | cis | -143.7 | 159.6 | 2.4 | -158.6 | 73 | 0 | 0 | 0 | 112.1 | ||||
| 1048 | F | 24.4 | Very low | 25.3 | Very low | 182 Ų | 182 | 118.6 Ų | 118.6 | 80% | 0.798 | 67% | 0.673 | S | S | * | * | trans | -49.9 | 162.3 | 171.4 | -94.7 | -78 | 0 | 0 | 0 | 120.6 | ||||
| 1049 | V | 25.5 | Very low | 25.6 | Very low | 87 Ų | 87 | 120.6 Ų | 120.6 | 53% | 0.527 | 68% | 0.684 | S | S | . | * | trans | 87 | 119.8 | 139.8 | 161.8 | 0 | 0 | 0 | 0 | 120 | A1440 T1441 | V1049-A1440 CarbonylContact C-O 3.59Å; V1049-T1441 VanDerWaalsContact C-CB 3.44Å; V1049-T1441 PolarHBondContact N-O 2.94Å; V1049-T1441 VanDerWaalsContact O-CB 3.27Å; V1049-T1441 WeakPolarHBondContact O-CB 3.49Å; V1049-T1441 PolarHBondContact O-OG1 3.37Å | ||
| 1050 | N | 25.2 | Very low | 25.5 | Very low | 82 Ų | 82 | 119 Ų | 119 | 44% | 0.439 | 67% | 0.673 | S | S | . | * | trans | 128.1 | 129.1 | 149 | -87.7 | -22.6 | 0 | 0 | 0 | 123.8 | A1440 T1441 | N1050-A1440 VanDerWaalsContact C-N 3.28Å; N1050-A1440 PolarHBondContact N-O 3.36Å; N1050-A1440 CarbonylContact O-C 3.56Å; N1050-T1441 WeakPolarHBondContact CA-OG1 3.5Å; N1050-T1441 WeakPolarHBondContact CB-OG1 3.38Å; N1050-T1441 PolarHBondContact N-OG1 2.93Å; N1050-T1441 PolarHBondContact O-N 3.08Å; N1050-T1441 PolarHBondContact O-OG1 2.96Å | ||
| 1051 | S | 24.4 | Very low | 25.5 | Very low | 56 Ų | 56 | 118.2 Ų | 118.2 | 39% | 0.392 | 67% | 0.673 | S | S | . | * | trans | 56.7 | 115.9 | 144.9 | -55.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1052 | T | 25.2 | Very low | 25.5 | Very low | 85 Ų | 85 | 118.9 Ų | 118.9 | 52% | 0.521 | 67% | 0.672 | S | S | . | * | trans | 70 | 171.9 | 131.2 | 67.7 | 0 | 0 | 0 | 0 | 118.1 | T1438 | T1052-T1438 HydrophobicContact CG2-CG2 4.23Š| ||
| 1053 | L | 26 | Very low | 25.5 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | cis | -153.5 | 123.8 | 9 | -163.6 | 64.1 | 0 | 0 | 0 | 105.7 | K1055 | L1053-K1055 HydrophobicContact CD1-CB 4.49Å; L1053-K1055 HydrophobicContact CD1-CD 4.48Å; L1053-K1055 HydrophobicContact CD2-CB 4.48Å; L1053-K1055 HydrophobicContact CG-CB 4.15Å | ||
| 1054 | F | 25.1 | Very low | 25.6 | Very low | 171 Ų | 171 | 119 Ų | 119 | 75% | 0.75 | 68% | 0.677 | S | S | * | * | cis | 48.8 | 66.5 | 38.4 | -125.9 | -48.5 | 0 | 0 | 0 | 115.1 | T1437 | F1054-T1437 HydrophobicContact CD2-CG2 4.1Å; F1054-T1437 HydrophobicContact CE2-CG2 3.98Å | ||
| 1055 | K | 22.1 | Very low | 25.7 | Very low | 175 Ų | 175 | 119.4 Ų | 119.4 | 76% | 0.761 | 68% | 0.678 | S | S | * | * | trans | 174.3 | 167 | 157.5 | -101.4 | 178.8 | -176.7 | -178.4 | 0 | 109.8 | L1053 | L1053-K1055 HydrophobicContact CD1-CB 4.49Å; L1053-K1055 HydrophobicContact CD1-CD 4.48Å; L1053-K1055 HydrophobicContact CD2-CB 4.48Å; L1053-K1055 HydrophobicContact CG-CB 4.15Å | ||
| 1056 | P | 26.3 | Very low | 25.8 | Very low | 102 Ų | 102 | 118 Ų | 118 | 66% | 0.662 | 66% | 0.662 | S | S | * | * | cis | -134.4 | -175 | -30.5 | 37.1 | -20.5 | 0 | 0 | 0 | 112.5 | ||||
| 1057 | Q | 24.9 | Very low | 25.8 | Very low | 182 Ų | 182 | 115.8 Ų | 115.8 | 85% | 0.85 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -60.9 | 144.3 | 148 | -65.9 | 160.3 | -76.7 | 0 | 0 | 110.4 | ||
| 1058 | S | 24.5 | Very low | 25.7 | Very low | 72 Ų | 72 | 116.1 Ų | 116.1 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | trans | 67.2 | 128.3 | 164.3 | 77.8 | 0 | 0 | 0 | 0 | 118.6 | S1060 | S1058-S1060 PolarHBondContact O-N 2.83Å; S1058-S1060 WeakPolarHBondContact OG-CB 3.43Å; S1058-S1060 PolarHBondContact OG-N 3Å; S1058-S1060 PolarHBondContact OG-OG 2.81Å | ||
| 1059 | P | 31.8 | Very low | 25.7 | Very low | 142 Ų | 142 | 112.2 Ų | 112.2 | 92% | 0.922 | 66% | 0.656 | S | S | * | * | trans | -76.8 | 78.5 | 134.4 | 33 | -29 | 0 | 0 | 0 | 108 | ||||
| 1060 | S | 25.1 | Very low | 25.7 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 57% | 0.573 | 67% | 0.672 | S | S | * | * | trans | -79.2 | 135.7 | 171.7 | 40.1 | 0 | 0 | 0 | 0 | 109.8 | S1058 | S1058-S1060 PolarHBondContact O-N 2.83Å; S1058-S1060 WeakPolarHBondContact OG-CB 3.43Å; S1058-S1060 PolarHBondContact OG-N 3Å; S1058-S1060 PolarHBondContact OG-OG 2.81Å | ||
| 1061 | S | 25.1 | Very low | 25.8 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | trans | 64.2 | 146.7 | 176.6 | 74.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1062 | S | 25.1 | Very low | 26 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | cis | -167.8 | 129.1 | -17.9 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1063 | T | 27 | Very low | 26.2 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 93% | 0.926 | 71% | 0.714 | S | S | * | * | trans | -145.8 | 104.1 | 143.2 | 20.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1064 | L | 28 | Very low | 26.2 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | trans | -69.7 | 161.2 | 167.4 | -69.7 | 159.7 | 0 | 0 | 0 | 109.3 | I1066 | L1064-I1066 HydrophobicContact CB-CD1 4.45Å; L1064-I1066 HydrophobicContact CB-CG1 4.06Å; L1064-I1066 HydrophobicContact CD1-CG1 4.45Å | ||
| 1065 | P | 27.7 | Very low | 26.3 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | -84.5 | 142.1 | 59.7 | -23.8 | 38.1 | 0 | 0 | 0 | 114.1 | |||||
| 1066 | I | 25.2 | Very low | 26.6 | Very low | 66 Ų | 66 | 114.8 Ų | 114.8 | 34% | 0.338 | 73% | 0.728 | S | S | . | * | 60.5 | 88.7 | 54.3 | -60.5 | 159.4 | 0 | 0 | 0 | 107.1 | L1064 T1553 | L1064-I1066 HydrophobicContact CB-CD1 4.45Å; L1064-I1066 HydrophobicContact CB-CG1 4.06Å; L1064-I1066 HydrophobicContact CD1-CG1 4.45Å; I1066-T1553 HydrophobicContact CD1-CG2 4.25Å | |||
| 1067 | A | 25 | Very low | 26.6 | Very low | 86 Ų | 86 | 114 Ų | 114 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | 74.6 | 167 | 89.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1068 | N | 25.4 | Very low | 26.8 | Very low | 134 Ų | 134 | 114.1 Ų | 114.1 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | cis | -163.7 | 172.4 | 25.1 | -157.7 | 3.7 | 0 | 0 | 0 | 111.3 | ||||
| 1069 | T | 26 | Very low | 27 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | trans | 66.8 | 131.7 | 156.1 | 34.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1070 | F | 24.7 | Very low | 26.8 | Very low | 197 Ų | 197 | 114.4 Ų | 114.4 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | 60.3 | 142.9 | 81 | -75.4 | -133.1 | 0 | 0 | 0 | 113.2 | |||||
| 1071 | S | 27.6 | Very low | 27 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | cis | -171.3 | 145.8 | -2.6 | 44.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1072 | G | 28.8 | Very low | 27.5 | Very low | 87 Ų | 87 | 114.8 Ų | 114.8 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | trans | 75.5 | 162.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1073 | G | 28.4 | Very low | 27.4 | Very low | 60 Ų | 60 | 119.8 Ų | 119.8 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | cis | 163.2 | 146.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1074 | T | 27.1 | Very low | 27.4 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | 66.7 | 143.8 | -175.3 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1075 | S | 27.7 | Very low | 27.2 | Very low | 100 Ų | 100 | 119 Ų | 119 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | cis | -162.1 | 145.5 | -3.8 | 41.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1076 | V | 27.6 | Very low | 27.2 | Very low | 146 Ų | 146 | 120 Ų | 120 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | 61.7 | 128 | 153.5 | 173.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1077 | A | 26.6 | Very low | 27.3 | Very low | 84 Ų | 84 | 123.1 Ų | 123.1 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | cis | -158.1 | 170.1 | -11.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1078 | Q | 29.3 | Very low | 27.3 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | cis | -153.3 | 136.5 | 17.2 | -150.9 | 163.3 | 7.3 | 0 | 0 | 109.7 | ||||
| 1079 | S | 28.7 | Very low | 27.3 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 5.7 | 140.8 | 159 | 145.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1080 | S | 27.4 | Very low | 27.3 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | 176.7 | 155 | -27.7 | 31.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1081 | A | 29.2 | Very low | 27.5 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -93.1 | -153.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1082 | P | 34.6 | Very low | 27.5 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -142 | -164 | -0.9 | 43.5 | -22.2 | 0 | 0 | 0 | 115.8 | ||||
| 1083 | F | 23.7 | Very low | 27.8 | Very low | 204 Ų | 204 | 129.7 Ų | 129.7 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -50.6 | 145.2 | 168 | -57.1 | -105.5 | 0 | 0 | 0 | 115.3 | ||||
| 1084 | V | 27.4 | Very low | 27.8 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | -141.9 | 147.4 | 148.7 | -176.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1085 | V | 24.2 | Very low | 27.8 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -81.2 | 136.9 | 179.6 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1086 | N | 27.2 | Very low | 27.8 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 172.2 | 128.7 | 132.2 | -95.7 | -46.1 | 0 | 0 | 0 | 116.1 | ||||
| 1087 | N | 25.8 | Very low | 27.9 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | 48.3 | 132.6 | 130.9 | -82.2 | -20.8 | 0 | 0 | 0 | 124.9 | ||||
| 1088 | F | 25.6 | Very low | 27.9 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 79% | 0.789 | 78% | 0.781 | S | S | * | * | trans | 75.5 | 127.9 | 147 | -80.3 | -67.9 | 0 | 0 | 0 | 123.3 | ||||
| 1089 | K | 26.5 | Very low | 27.8 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | 59.6 | 114.8 | 144.2 | -85.8 | -178.9 | 174.7 | -175.7 | 0 | 122.5 | ||||
| 1090 | V | 25.7 | Very low | 27.8 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | 32.7 | 112.7 | 116.2 | -174.8 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1091 | S | 28.4 | Very low | 27.9 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | -172.2 | 139.4 | 128.4 | 56.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1092 | S | 27.4 | Very low | 27.8 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -18.1 | 168.4 | 160.2 | -54.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 1093 | P | 35 | Very low | 27.6 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -95 | 174.4 | -168.4 | 39.3 | -37.8 | 0 | 0 | 0 | 115.9 | ||||
| 1094 | G | 28.1 | Very low | 27.9 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -160.8 | 166.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1095 | F | 26.9 | Very low | 28.1 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 90% | 0.899 | 75% | 0.748 | S | S | * | * | trans | -127 | 166 | -167.6 | -110 | -91.2 | 0 | 0 | 0 | 113 | ||||
| 1096 | Q | 28.7 | Very low | 28.6 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | 95.1 | 126.8 | 136.2 | -112.6 | -174.9 | 46 | 0 | 0 | 124 | ||||
| 1097 | K | 28.7 | Very low | 28.9 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 73% | 0.726 | 75% | 0.747 | S | S | * | * | 103.9 | 158.7 | 118.1 | -124.6 | -176 | -170.8 | 177.9 | 0 | 121.9 | |||||
| 1098 | S | 28.3 | Very low | 29.2 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | 81.8 | 138.3 | 156.4 | 79.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1099 | E | 27.4 | Very low | 29.6 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | cis | -163 | 163.3 | -7.4 | -136.2 | 157.6 | -129 | 0 | 0 | 115.9 | ||||
| 1100 | S | 28.3 | Very low | 30 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | 75.8 | 158.7 | 152.4 | 96.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1101 | T | 29 | Very low | 30.5 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | cis | -157.5 | 125.6 | 12.4 | -82 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1102 | I | 28.2 | Very low | 30.6 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 59.4 | 137.9 | 143.9 | -72.5 | 176.7 | 0 | 0 | 0 | 119.9 | ||||
| 1103 | T | 29.6 | Very low | 30.9 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | cis | -160.6 | 149.8 | 4.9 | 11.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1104 | T | 29.6 | Very low | 30.5 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | trans | 34.4 | 147.5 | 142.7 | 56.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 1105 | N | 32.7 | Very low | 30.8 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | cis | -150.1 | 147.4 | 38.1 | -104.1 | -43.2 | 0 | 0 | 0 | 114.4 | ||||
| 1106 | N | 33.5 | Very low | 30.8 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | 53.6 | 133.7 | 150.6 | -54.4 | -14.5 | 0 | 0 | 0 | 119.7 | ||||
| 1107 | S | 33.8 | Very low | 30.8 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | cis | -174.1 | 163.7 | -2 | -86.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1108 | T | 32.7 | Very low | 30.9 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | cis | -161.1 | 144.4 | -7.3 | 23.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1109 | I | 34 | Very low | 31 | Very low | 141 Ų | 141 | 123.7 Ų | 123.7 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | 70.7 | 125.4 | 58.7 | -55.6 | 166.2 | 0 | 0 | 0 | 110.2 | |||||
| 1110 | T | 34.1 | Very low | 30.9 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | -166.4 | 171.6 | 69 | -19.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1111 | P | 36.9 | Very low | 31 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | -147 | 179.5 | -84.8 | 48.3 | -30.8 | 0 | 0 | 0 | 118.9 | |||||
| 1112 | V | 30.1 | Very low | 30.9 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 67.5 | 145.6 | 133.6 | 149.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1113 | T | 32.6 | Very low | 31 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | cis | -148.5 | 165.8 | 42.1 | -33.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1114 | T | 28.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | -129.1 | 172 | 178.1 | -32.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1115 | I | 32.8 | Very low | 31 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | trans | 179.3 | 112.6 | 137.2 | -92.6 | 152.1 | 0 | 0 | 0 | 113.8 | ||||
| 1116 | N | 28.2 | Very low | 30.7 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | 34.9 | 133.9 | 135.4 | -65.4 | 25.7 | 0 | 0 | 0 | 126.8 | ||||
| 1117 | E | 28.7 | Very low | 30.4 | Very low | 152 Ų | 152 | 128 Ų | 128 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | 114.2 | 126.4 | 112.9 | -93.2 | 170.9 | -116.6 | 0 | 0 | 125.2 | |||||
| 1118 | T | 30.7 | Very low | 29.9 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | 67.9 | 150.3 | 149.5 | 63.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1119 | G | 30.2 | Very low | 29.7 | Very low | 80 Ų | 80 | 128.4 Ų | 128.4 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 141.6 | 95.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1120 | L | 25.4 | Very low | 29.4 | Very low | 172 Ų | 172 | 126.3 Ų | 126.3 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | trans | -83.9 | 177.3 | 178.7 | -74 | 158.6 | 0 | 0 | 0 | 113.6 | ||||
| 1121 | I | 30.7 | Very low | 29.1 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 100 | 111.7 | 154.4 | -50.1 | -178.5 | 0 | 0 | 0 | 118.3 | ||||
| 1122 | N | 27.2 | Very low | 29.1 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | -8.8 | 137.8 | 152.7 | -65.5 | -59.5 | 0 | 0 | 0 | 119.7 | ||||
| 1123 | S | 29.6 | Very low | 29 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | 165.1 | 130.4 | 102.8 | -70 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1124 | N | 26.3 | Very low | 28.8 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | -67.3 | 161 | 151.3 | -80.9 | -16 | 0 | 0 | 0 | 109.3 | ||||
| 1125 | P | 32.4 | Very low | 28.8 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | cis | -153 | -171.9 | 35.1 | 38.8 | -14.5 | 0 | 0 | 0 | 118.4 | ||||
| 1126 | V | 26.7 | Very low | 28.8 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | trans | 78.5 | 117.2 | 135 | 143.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1127 | I | 26.5 | Very low | 28.8 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 63.8 | 143 | 136.2 | -61.5 | 179.9 | 0 | 0 | 0 | 119.5 | ||||
| 1128 | S | 24.7 | Very low | 28.7 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | cis | -173.4 | 171.8 | -21.8 | -87.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1129 | T | 26.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 74.1 | 116.5 | 147.1 | 35.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1130 | S | 28 | Very low | 28.5 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | 76.5 | 109.3 | 129 | 66.8 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1131 | N | 29.2 | Very low | 28.6 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | 52 | 158.8 | 111.3 | -69.2 | 9.5 | 0 | 0 | 0 | 122.2 | |||||
| 1132 | P | 37 | Very low | 28.6 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -141.4 | -167.5 | -28.4 | 33.4 | -10.9 | 0 | 0 | 0 | 114.6 | ||||
| 1133 | L | 26.8 | Very low | 28.5 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 71% | 0.707 | 76% | 0.761 | S | S | * | * | trans | 110.8 | 135.3 | 147.1 | -71.6 | 160.9 | 0 | 0 | 0 | 122.5 | ||||
| 1134 | F | 27.8 | Very low | 28.4 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 75% | 0.746 | 76% | 0.76 | S | S | * | * | trans | 75.4 | 143 | 158.3 | -70 | -61.6 | 0 | 0 | 0 | 122.9 | ||||
| 1135 | S | 28.9 | Very low | 28.6 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -97.7 | 171.8 | -175.2 | -32.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1136 | P | 32.6 | Very low | 28.4 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | -149.2 | -155.8 | 77.7 | 41.1 | -20.3 | 0 | 0 | 0 | 115 | |||||
| 1137 | S | 28.1 | Very low | 28.7 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -101.5 | 178.3 | -163.3 | -50.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1138 | V | 27.3 | Very low | 29 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | 110.8 | 101.9 | 153 | -172.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1139 | I | 28 | Very low | 29.2 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | trans | 30.6 | 132.6 | 130.4 | -49.3 | 168.8 | 0 | 0 | 0 | 120.3 | K1141 | I1139-K1141 HydrophobicContact CG2-CB 4.44Š| ||
| 1140 | P | 29.4 | Very low | 29.3 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -113.1 | 155.5 | 138.3 | 36.6 | -30.1 | 0 | 0 | 0 | 113.4 | ||||
| 1141 | K | 26.4 | Very low | 29.3 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | trans | -140.3 | 139.9 | -173.9 | -171 | -171 | -177.4 | -174.3 | 0 | 110.7 | I1139 | I1139-K1141 HydrophobicContact CG2-CB 4.44Š| ||
| 1142 | P | 30.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | -87.7 | 173.6 | 171 | -11.3 | 29.7 | 0 | 0 | 0 | 114.8 | ||||
| 1143 | I | 25.5 | Very low | 28.7 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | -151.3 | 166.9 | -177.7 | 23.2 | 170 | 0 | 0 | 0 | 108.7 | ||||
| 1144 | V | 27.3 | Very low | 28.7 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | cis | -118.3 | -142.7 | 13.8 | -135.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1145 | T | 30.5 | Very low | 28.6 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | cis | -153.2 | -176.6 | 6.2 | -26.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1146 | N | 28.4 | Very low | 28.5 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -145.2 | 175.4 | 166.4 | -135.8 | 2.9 | 0 | 0 | 0 | 107.4 | ||||
| 1147 | P | 33.3 | Very low | 28.1 | Very low | 102 Ų | 102 | 123 Ų | 123 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | cis | -148.8 | -174.9 | 36.8 | 41.9 | -19.1 | 0 | 0 | 0 | 118.9 | ||||
| 1148 | S | 31.2 | Very low | 28.1 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | trans | 66.8 | 112.3 | 147.2 | 58.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1149 | N | 29.6 | Very low | 28.2 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 52% | 0.519 | 71% | 0.713 | S | S | . | * | 40.7 | 147.6 | 106.9 | -64.1 | 47 | 0 | 0 | 0 | 119.8 | I460 T461 | I460-N1149 PolarHBondContact O-ND2 3.37Å; T461-N1149 PolarHBondContact OG1-ND2 3.14Å | |||
| 1150 | D | 28.3 | Very low | 28.2 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 43% | 0.428 | 71% | 0.71 | S | S | . | * | cis | -165.9 | -179 | 22.9 | -138.3 | -48.6 | 0 | 0 | 0 | 114.5 | T461 S462 | T461-D1150 WeakPolarHBondContact CB-OD1 3.46Å; T461-D1150 WeakPolarHBondContact CG2-OD2 3.45Å; T461-D1150 PolarHBondContact OG1-OD1 3.01Å; T461-D1150 PolarHBondContact OG1-OD2 3.05Å; S462-D1150 PolarHBondContact OG-OD1 3.03Å | ||
| 1151 | F | 28 | Very low | 28.2 | Very low | 183 Ų | 183 | 127 Ų | 127 | 80% | 0.803 | 70% | 0.701 | S | S | * | * | trans | 80.5 | 168.7 | 162.3 | -72.8 | -66.5 | 0 | 0 | 0 | 122.5 | ||||
| 1152 | N | 29.4 | Very low | 28.4 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 49% | 0.487 | 69% | 0.693 | S | S | . | * | trans | -150.4 | 173.2 | -142.6 | -112.1 | -66.7 | 0 | 0 | 0 | 115.2 | S462 S463 | S462-N1152 WeakPolarHBondContact CB-ND2 3.32Å; S462-N1152 PolarHBondContact O-ND2 3.47Å; S462-N1152 PolarHBondContact OG-ND2 3.32Å; S463-N1152 PolarHBondContact O-ND2 2.88Å | ||
| 1153 | N | 26.1 | Very low | 28.1 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | 90.6 | 149.6 | 151.4 | -92 | -31.9 | 0 | 0 | 0 | 123.8 | ||||
| 1154 | A | 25.7 | Very low | 28.3 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | 72.6 | 142.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1155 | S | 25.8 | Very low | 28.3 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | cis | -158.5 | 153.3 | 0.1 | 64 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1156 | L | 25.7 | Very low | 28.1 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 82% | 0.817 | 66% | 0.662 | S | S | * | * | trans | 34.7 | 148.9 | 132.1 | -116.7 | 68.7 | 0 | 0 | 0 | 121 | ||||
| 1157 | C | 24.9 | Very low | 28 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 54% | 0.541 | 65% | 0.651 | S | S | . | * | cis | -176.2 | 130.7 | 33.5 | -159.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1158 | K | 27.3 | Very low | 27.7 | Very low | 189 Ų | 189 | 122.3 Ų | 122.3 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | trans | 61.5 | 161.1 | 154 | -64.2 | 166.1 | -167.1 | 167.6 | 0 | 118 | ||||
| 1159 | K | 29.4 | Very low | 27.8 | Very low | 173 Ų | 173 | 123 Ų | 123 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | cis | -147.2 | 132.3 | 10.9 | -154.8 | -179.8 | 175.9 | -172.7 | 0 | 108.4 | ||||
| 1160 | T | 28 | Very low | 27.6 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | 46.6 | 138.9 | 81.4 | 21.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1161 | D | 29.6 | Very low | 27.6 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 67% | 0.672 | S | S | * | * | cis | -141.4 | 176.5 | 11.7 | -54.9 | -84.5 | 0 | 0 | 0 | 109.8 | ||||
| 1162 | E | 30.4 | Very low | 27.5 | Very low | 133 Ų | 133 | 125 Ų | 125 | 62% | 0.621 | 68% | 0.675 | S | S | * | * | cis | -144.7 | -152.9 | 6.3 | -145.7 | -109.9 | 93.1 | 0 | 0 | 110.8 | K1164 | E1162-K1164 IonicContact OE1-NZ 2.75Å; E1162-K1164 PolarHBondContact OE1-NZ 2.69Å; E1162-K1164 IonicContact OE2-NZ 2.67Å; E1162-K1164 PolarHBondContact OE2-NZ 3.22Å | ||
| 1163 | I | 26.5 | Very low | 27.2 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | trans | -129 | 157.9 | -162.9 | -43.5 | 163.1 | 0 | 0 | 0 | 111.1 | ||||
| 1164 | K | 28.7 | Very low | 27.2 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | 153.2 | 122.4 | 130 | -80 | 154.2 | -169.9 | 116.7 | 0 | 112.3 | E1162 | E1162-K1164 IonicContact OE1-NZ 2.75Å; E1162-K1164 PolarHBondContact OE1-NZ 2.69Å; E1162-K1164 IonicContact OE2-NZ 2.67Å; E1162-K1164 PolarHBondContact OE2-NZ 3.22Å | |||
| 1165 | K | 26.7 | Very low | 27.1 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | 64.1 | 140.8 | 89.5 | -78.3 | -178.2 | 153.5 | -140.4 | 0 | 113.7 | |||||
| 1166 | E | 27 | Very low | 27.1 | Very low | 75 Ų | 75 | 128.1 Ų | 128.1 | 35% | 0.35 | 69% | 0.691 | S | S | . | * | cis | -154.9 | 168.1 | 15.3 | -138.2 | 155.9 | -129.9 | 0 | 0 | 112.9 | N526 S528 | N526-E1166 PolarHBondContact ND2-O 3.39Å; S528-E1166 WeakPolarHBondContact CB-OE2 3.09Å; S528-E1166 PolarHBondContact OG-OE2 2.88Å | ||
| 1167 | N | 26.1 | Very low | 27.2 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 57% | 0.567 | 69% | 0.69 | S | S | * | * | trans | -76.5 | 154.3 | -169.6 | -21.3 | -92.5 | 0 | 0 | 0 | 115.1 | N526 S527 | N526-N1167 WeakPolarHBondContact CA-O 3.47Å; N526-N1167 VanDerWaalsContact CB-O 3.29Å; N526-N1167 WeakPolarHBondContact CB-O 3.39Å; N526-N1167 PolarHBondContact ND2-O 3.15Å; N526-N1167 PolarHBondContact OD1-O 3.5Å; S527-N1167 PolarHBondContact O-ND2 3.05Å | ||
| 1168 | L | 27.2 | Very low | 27.4 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | -169.4 | 164.8 | 110 | -130.2 | 58.2 | 0 | 0 | 0 | 118 | S527 | S527-L1168 WeakPolarHBondContact OG-CD1 3.48Š| |||
| 1169 | V | 32.4 | Very low | 27.3 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 61% | 0.612 | 68% | 0.676 | S | S | * | * | trans | -117.8 | 152.2 | 162.4 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1170 | P | 27.2 | Very low | 27 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 81% | 0.805 | 66% | 0.662 | S | S | * | * | -128.4 | 133.2 | 122.9 | 34.9 | -30 | 0 | 0 | 0 | 112.1 | |||||
| 1171 | S | 26.9 | Very low | 26.8 | Very low | 110 Ų | 110 | 117.1 Ų | 117.1 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | trans | -79.2 | 136.7 | -177.4 | -49.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1172 | I | 27.1 | Very low | 26.7 | Very low | 167 Ų | 167 | 115.4 Ų | 115.4 | 86% | 0.856 | 64% | 0.642 | S | S | * | * | trans | -129.2 | 129.8 | 159.5 | -59.5 | -177.1 | 0 | 0 | 0 | 108.4 | ||||
| 1173 | S | 23.3 | Very low | 26.4 | Very low | 109 Ų | 109 | 113.2 Ų | 113.2 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -99 | 130.1 | -171.1 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1174 | S | 25.4 | Very low | 26.3 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | trans | -166.1 | 110.5 | 153.3 | 34.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1175 | V | 23.8 | Very low | 26.1 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | 51.4 | 86.9 | 70.7 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1176 | N | 26 | Very low | 25.9 | Very low | 156 Ų | 156 | 111.4 Ų | 111.4 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | trans | -172.7 | 107.3 | 138.5 | -98.8 | -42.1 | 0 | 0 | 0 | 113.2 | ||||
| 1177 | L | 28 | Very low | 25.8 | Very low | 152 Ų | 152 | 113.3 Ų | 113.3 | 80% | 0.796 | 67% | 0.674 | S | S | * | * | trans | -68.4 | -179.6 | 145.6 | -127.4 | 63.7 | 0 | 0 | 0 | 107.9 | K644 | K644-L1177 PolarHBondContact NZ-O 3.33Š| ||
| 1178 | P | 28.4 | Very low | 25.8 | Very low | 65 Ų | 65 | 113.9 Ų | 113.9 | 42% | 0.422 | 69% | 0.687 | S | S | . | * | cis | -138.8 | -154.3 | -0.5 | 35 | -10.5 | 0 | 0 | 0 | 113.3 | ||||
| 1179 | Q | 25.5 | Very low | 25.7 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | trans | 91.8 | 111.5 | 154 | -76.9 | 154.9 | -38.2 | 0 | 0 | 118.7 | ||||
| 1180 | T | 23.6 | Very low | 25.4 | Very low | 74 Ų | 74 | 114.7 Ų | 114.7 | 45% | 0.454 | 71% | 0.705 | S | S | . | * | trans | -68.7 | 129.9 | 158.7 | 37.2 | 0 | 0 | 0 | 0 | 111.4 | S413 | S413-T1180 PolarHBondContact N-OG1 2.91Š| ||
| 1181 | A | 23.3 | Very low | 25.4 | Very low | 43 Ų | 43 | 116.6 Ų | 116.6 | 36% | 0.355 | 70% | 0.701 | S | S | . | * | trans | -134 | 117.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E645 | E645-A1181 HydrophobicContact CG-CB 4.13Å; E645-A1181 WeakPolarHBondContact OE1-CB 3.39Å; E645-A1181 WeakPolarHBondContact OE2-CB 3.44Å | ||
| 1182 | T | 26.5 | Very low | 25.3 | Very low | 92 Ų | 92 | 115.2 Ų | 115.2 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | trans | -120.4 | 73.2 | 176.4 | -46.8 | 0 | 0 | 0 | 0 | 107.9 | K410 | K410-T1182 WeakPolarHBondContact CD-O 3.29Å; K410-T1182 WeakPolarHBondContact CE-O 3.04Å; K410-T1182 VanDerWaalsContact NZ-C 3.33Å; K410-T1182 PolarHBondContact NZ-O 3.05Å | ||
| 1183 | V | 25.1 | Very low | 25.2 | Very low | 87 Ų | 87 | 117.4 Ų | 117.4 | 53% | 0.527 | 70% | 0.695 | S | S | . | * | trans | -85.3 | 123.3 | -173.8 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | S1185 | V1183-S1185 WeakPolarHBondContact CG1-OG 3.44Š| ||
| 1184 | S | 23.7 | Very low | 25.3 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | trans | -103.8 | 93.3 | 171.4 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1185 | S | 25.4 | Very low | 25.5 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | trans | -148.3 | 146.6 | 173.2 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | V1183 | V1183-S1185 WeakPolarHBondContact CG1-OG 3.44Š| ||
| 1186 | K | 22.6 | Very low | 25.7 | Very low | 195 Ų | 195 | 119.3 Ų | 119.3 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | trans | -98.6 | 143.5 | 175.9 | -63.6 | 176 | 179 | 177.3 | 0 | 109.7 | ||||
| 1187 | S | 25.2 | Very low | 25.7 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | 60.5 | 152.3 | 173.2 | 37.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1188 | S | 25.5 | Very low | 25.5 | Very low | 118 Ų | 118 | 115.5 Ų | 115.5 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | cis | -156.1 | 143.6 | -1.2 | 35.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1189 | G | 25.2 | Very low | 25.4 | Very low | 77 Ų | 77 | 118 Ų | 118 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | trans | -99.5 | 178.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1190 | L | 26.1 | Very low | 25.3 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 69% | 0.686 | 71% | 0.712 | S | S | * | * | trans | -159.5 | 172.5 | 167.1 | -114 | 171 | 0 | 0 | 0 | 111 | ||||
| 1191 | F | 26.6 | Very low | 25.4 | Very low | 164 Ų | 164 | 119.5 Ų | 119.5 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | trans | 66.2 | 96.6 | -178 | -54.7 | -70.7 | 0 | 0 | 0 | 115.6 | N905 | N905-F1191 WeakPolarHBondContact ND2-CZ 3.44Š| ||
| 1192 | S | 24.8 | Very low | 25.7 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | cis | 105.2 | 114.3 | 16.1 | 86.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1193 | F | 25.3 | Very low | 25.6 | Very low | 212 Ų | 212 | 122.6 Ų | 122.6 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | trans | -133.2 | 158.7 | 142.8 | -98.1 | -83.6 | 0 | 0 | 0 | 109.3 | ||||
| 1194 | L | 26.5 | Very low | 25.8 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -87.6 | 176.1 | -157.6 | -89.5 | 70.1 | 0 | 0 | 0 | 114.2 | ||||
| 1195 | P | 27.9 | Very low | 25.9 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | cis | -136.9 | -165.7 | -18.8 | 27.4 | -3.5 | 0 | 0 | 0 | 114.6 | ||||
| 1196 | T | 28.7 | Very low | 26.2 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 91.2 | 142.2 | 161.8 | 70 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1197 | P | 26.2 | Very low | 26.5 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -133.1 | -172.7 | -138.9 | 38.2 | -17.3 | 0 | 0 | 0 | 116 | ||||
| 1198 | V | 24.1 | Very low | 26.4 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | trans | 61.2 | 141.2 | 170.9 | -109.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1199 | C | 25.2 | Very low | 26.5 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | -132.7 | 164.2 | 14.3 | -76.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1200 | S | 24.4 | Very low | 26.6 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -106.6 | 132.8 | 169 | -60 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1201 | S | 25 | Very low | 26.6 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -165 | 156.2 | 157.1 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1202 | S | 29.3 | Very low | 26.6 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -86.9 | 163.8 | -177.8 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1203 | G | 25.1 | Very low | 26.7 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -158.9 | 89.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1204 | I | 29.4 | Very low | 26.8 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 86% | 0.862 | 76% | 0.759 | S | S | * | * | trans | -79.1 | 133.6 | 152.6 | -58.7 | 172.1 | 0 | 0 | 0 | 106.2 | ||||
| 1205 | M | 24.8 | Very low | 26.9 | Very low | 180 Ų | 180 | 117.6 Ų | 117.6 | 89% | 0.887 | 73% | 0.733 | S | S | * | * | trans | -133.1 | 84.5 | -179.8 | -161.8 | -175.5 | -60.5 | 0 | 0 | 112.1 | ||||
| 1206 | F | 31.5 | Very low | 26.8 | Very low | 206 Ų | 206 | 116.5 Ų | 116.5 | 90% | 0.904 | 72% | 0.724 | S | S | * | * | trans | -80.5 | 151.5 | 142.8 | -93.5 | -90.1 | 0 | 0 | 0 | 108.1 | ||||
| 1207 | G | 28.9 | Very low | 26.8 | Very low | 75 Ų | 75 | 113 Ų | 113 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | 152.9 | 108.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1208 | S | 23.7 | Very low | 26.8 | Very low | 125 Ų | 125 | 112.2 Ų | 112.2 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -130 | 85.7 | 151 | 60.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 1209 | G | 27.7 | Very low | 27 | Very low | 70 Ų | 70 | 112.5 Ų | 112.5 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | trans | 80.6 | 150.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1210 | Q | 26.9 | Very low | 26.9 | Very low | 183 Ų | 183 | 109.3 Ų | 109.3 | 86% | 0.855 | 68% | 0.679 | S | S | * | * | cis | -163.3 | 145.3 | -14.9 | -148.6 | 168.4 | -8.2 | 0 | 0 | 109 | ||||
| 1211 | S | 25.4 | Very low | 26.9 | Very low | 102 Ų | 102 | 107.6 Ų | 107.6 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | 26.5 | 130.8 | 157.1 | 51.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1212 | Q | 27.5 | Very low | 26.8 | Very low | 122 Ų | 122 | 105.1 Ų | 105.1 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | cis | -168.5 | 178.2 | 9.9 | -98.5 | -148.7 | 105.7 | 0 | 0 | 109.6 | Q1507 T1508 | Q1212-Q1507 PolarHBondContact NE2-O 3.5Å; Q1212-T1508 CarbonylContact C-O 3.54Å | ||
| 1213 | N | 26.3 | Very low | 26.5 | Very low | 98 Ų | 98 | 103.6 Ų | 103.6 | 52% | 0.524 | 63% | 0.629 | S | S | . | * | cis | -174.7 | -30.6 | -34.8 | -173.2 | 21.3 | 0 | 0 | 0 | 114.9 | T1506 | N1213-T1506 CarbonylContact C-O 3.55Å; N1213-T1506 WeakPolarHBondContact CB-O 3.38Å; N1213-T1506 PolarHBondContact ND2-O 2.99Å; N1213-T1506 VanDerWaalsContact ND2-O 3.17Å | ||
| 1214 | I | 28.8 | Very low | 26.4 | Very low | 83 Ų | 83 | 104.3 Ų | 104.3 | 43% | 0.426 | 62% | 0.623 | S | S | . | * | trans | -80.5 | 134.3 | -144.8 | -150.1 | -160.9 | 0 | 0 | 0 | 123.1 | T1506 Q1507 T1508 | I1214-T1506 WeakPolarHBondContact CA-O 3.49Å; I1214-T1506 WeakPolarHBondContact CB-O 3.39Å; I1214-T1506 VanDerWaalsContact CG1-O 3.27Å; I1214-T1506 WeakPolarHBondContact CG1-O 3.4Å; I1214-T1506 PolarHBondContact N-O 3.26Å; I1214-Q1507 HydrophobicContact CD1-CG 4.13Å; I1214-T1508 VanDerWaalsContact CB-N 3.29Å | ||
| 1215 | S | 27.9 | Very low | 26.1 | Very low | 32 Ų | 32 | 99.7 Ų | 99.7 | 22% | 0.224 | 61% | 0.605 | C | S | . | * | trans | -45.1 | -166.3 | 138.1 | -55.1 | 0 | 0 | 0 | 0 | 116.1 | Q1503 A1505 | S1215-Q1503 VanDerWaalsContact CA-NE2 3.3Å; S1215-Q1503 PolarHBondContact OG-NE2 3.46Å; S1215-A1505 VanDerWaalsContact CB-N 3.27Å; S1215-A1505 PolarHBondContact OG-N 3.12Å; S1215-A1505 PolarHBondContact OG-O 2.85Å | ||
| 1216 | T | 26.7 | Very low | 26.1 | Very low | 79 Ų | 79 | 94.6 Ų | 94.6 | 49% | 0.485 | 59% | 0.587 | S | S | . | * | cis | -130 | 147 | -3.6 | -49.8 | 0 | 0 | 0 | 0 | 109.9 | Q1503 P1504 A1505 | T1216-Q1503 HydrophobicContact CG2-CB 4.37Å; T1216-P1504 HydrophobicContact CG2-CB 4.3Å; T1216-A1505 PolarHBondContact OG1-N 3.25Å | ||
| 1217 | A | 27.5 | Very low | 25.8 | Very low | 59 Ų | 59 | 91.4 Ų | 91.4 | 49% | 0.488 | 58% | 0.579 | S | S | . | * | trans | -40.9 | 162 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1218 | T | 26.6 | Very low | 26 | Very low | 95 Ų | 95 | 92.5 Ų | 92.5 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | -175.5 | 158.1 | 66 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | F1500 | T1218-F1500 HydrophobicContact CG2-CD1 3.62Å; T1218-F1500 HydrophobicContact CG2-CE1 3.19Å; T1218-F1500 HydrophobicContact CG2-CZ 3.83Å | |||
| 1219 | T | 28.5 | Very low | 26.5 | Very low | 124 Ų | 124 | 89.9 Ų | 89.9 | 76% | 0.761 | 56% | 0.557 | S | S | * | * | trans | 117.8 | 132.3 | 157.4 | 70.2 | 0 | 0 | 0 | 0 | 117.8 | F1500 | T1219-F1500 HydrophobicContact CG2-CE1 4.46Å; T1219-F1500 HydrophobicContact CG2-CZ 4.06Å | ||
| 1220 | N | 23.4 | Very low | 26.6 | Very low | 50 Ų | 50 | 93 Ų | 93 | 27% | 0.267 | 56% | 0.556 | S | S | . | * | trans | -102.4 | 163.2 | -170.2 | -72.7 | -112.6 | 0 | 0 | 0 | 110.8 | N1497 L1499 F1500 | N1220-N1497 WeakPolarHBondContact CA-OD1 3.42Å; N1220-N1497 HydrophobicContact CB-CB 4.1Å; N1220-N1497 WeakPolarHBondContact CB-OD1 3.3Å; N1220-N1497 PolarHBondContact OD1-OD1 2.74Å; N1220-L1499 HydrophobicContact CB-CD1 3.49Å; N1220-L1499 VanDerWaalsContact CB-CD1 3.49Å; N1220-L1499 VanDerWaalsContact CG-CD1 3.42Å; N1220-L1499 WeakPolarHBondContact ND2-CD1 3.45Å; N1220-F1500 WeakPolarHBondContact ND2-CD1 3.33Å; N1220-F1500 WeakPolarHBondContact ND2-CE1 3.46Å; N1220-F1500 WeakPolarHBondContact ND2-CZ 3.41Å | ||
| 1221 | T | 24.7 | Very low | 26.6 | Very low | 87 Ų | 87 | 92.8 Ų | 92.8 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | 173.6 | 166.9 | 118.2 | -68.1 | 0 | 0 | 0 | 0 | 110.8 | N1497 | T1221-N1497 VanDerWaalsContact C-ND2 3.26Å; T1221-N1497 PolarHBondContact N-OD1 3.03Å; T1221-N1497 VanDerWaalsContact N-OD1 3.16Å; T1221-N1497 PolarHBondContact O-ND2 2.76Å | |||
| 1222 | T | 22.3 | Very low | 26.7 | Very low | 69 Ų | 69 | 93.6 Ų | 93.6 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | trans | -63.1 | 157.2 | -156 | -52.2 | 0 | 0 | 0 | 0 | 118.3 | G1496 | T1222-G1496 WeakPolarHBondContact CA-O 3.32Å; T1222-G1496 VanDerWaalsContact CB-O 3.25Å; T1222-G1496 WeakPolarHBondContact CB-O 3.42Å; T1222-G1496 VanDerWaalsContact CG2-O 3.28Å; T1222-G1496 WeakPolarHBondContact CG2-O 3.3Å; T1222-G1496 PolarHBondContact OG1-O 3.06Å | ||
| 1223 | T | 22.7 | Very low | 26.6 | Very low | 96 Ų | 96 | 91 Ų | 91 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | trans | 65.5 | 115.1 | 166.4 | 33.7 | 0 | 0 | 0 | 0 | 119.9 | S1495 | T1223-S1495 VanDerWaalsContact C-OG 3.31Å; T1223-S1495 VanDerWaalsContact CA-O 3.3Å; T1223-S1495 WeakPolarHBondContact CA-O 3.41Å; T1223-S1495 VanDerWaalsContact CA-OG 3.28Å; T1223-S1495 WeakPolarHBondContact CA-OG 3.36Å; T1223-S1495 PolarHBondContact N-O 2.99Å; T1223-S1495 PolarHBondContact N-OG 3.48Å | ||
| 1224 | S | 22.1 | Very low | 26.8 | Very low | 88 Ų | 88 | 94.3 Ų | 94.3 | 62% | 0.615 | 58% | 0.575 | S | S | * | * | trans | 69 | 163.2 | 160 | 88.8 | 0 | 0 | 0 | 0 | 115 | I1494 S1495 | S1224-I1494 VanDerWaalsContact C-CG2 3.47Å; S1224-I1494 WeakPolarHBondContact CA-O 3.4Å; S1224-I1494 PolarHBondContact N-O 3.18Å; S1224-S1495 PolarHBondContact N-OG 2.79Å | ||
| 1225 | S | 23.9 | Very low | 26.8 | Very low | 70 Ų | 70 | 95.7 Ų | 95.7 | 49% | 0.49 | 59% | 0.589 | S | S | . | * | cis | -150.1 | -173.9 | -1.2 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | I1494 | S1225-I1494 VanDerWaalsContact O-CD1 3.24Å; S1225-I1494 WeakPolarHBondContact O-CD1 3.32Å | ||
| 1226 | S | 25.1 | Very low | 26.8 | Very low | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | trans | 76.7 | 121.1 | 147.6 | 71 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1227 | L | 26.1 | Very low | 26.6 | Very low | 139 Ų | 139 | 104.7 Ų | 104.7 | 73% | 0.728 | 63% | 0.631 | S | S | * | * | trans | 70.3 | 148.2 | 143.9 | -56.6 | 164.8 | 0 | 0 | 0 | 118.8 | ||||
| 1228 | S | 32.2 | Very low | 26.5 | Very low | 98 Ų | 98 | 106.7 Ų | 106.7 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | cis | -113.5 | 128.5 | -3.5 | 36.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1229 | S | 34 | Very low | 26.3 | Very low | 71 Ų | 71 | 107.6 Ų | 107.6 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | 77.7 | 141.9 | 52.6 | 83.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1230 | L | 29.2 | Very low | 26 | Very low | 135 Ų | 135 | 105 Ų | 105 | 71% | 0.707 | 63% | 0.63 | S | S | * | * | S | Bend | cis | -128.6 | 142.7 | 29.5 | -61.9 | 160.8 | 0 | 0 | 0 | 111.2 | ||
| 1231 | F | 28.2 | Very low | 26 | Very low | 179 Ų | 179 | 105.4 Ų | 105.4 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | cis | -136.9 | 165.6 | 6.6 | -101.4 | -67.7 | 0 | 0 | 0 | 113.1 | ||||
| 1232 | T | 27.9 | Very low | 26 | Very low | 118 Ų | 118 | 106.6 Ų | 106.6 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | trans | -85.8 | 174.2 | 176.3 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1233 | G | 25.3 | Very low | 26.2 | Very low | 68 Ų | 68 | 109.2 Ų | 109.2 | 70% | 0.701 | 65% | 0.646 | S | S | * | * | cis | 114.8 | 93.2 | -3.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1234 | I | 30.3 | Very low | 26.3 | Very low | 168 Ų | 168 | 110 Ų | 110 | 86% | 0.862 | 65% | 0.651 | S | S | * | * | trans | -143 | 143 | 168.9 | -60.6 | -175.9 | 0 | 0 | 0 | 109 | ||||
| 1235 | P | 28.5 | Very low | 26.5 | Very low | 111 Ų | 111 | 112.4 Ų | 112.4 | 72% | 0.721 | 66% | 0.657 | S | S | * | * | trans | -115.4 | -179.1 | -164.8 | 43.3 | -34.8 | 0 | 0 | 0 | 117 | ||||
| 1236 | L | 26.9 | Very low | 26.6 | Very low | 164 Ų | 164 | 112.5 Ų | 112.5 | 86% | 0.859 | 66% | 0.658 | S | S | * | * | trans | -3.7 | 142.5 | 154.6 | -61.4 | 159.2 | 0 | 0 | 0 | 117.2 | ||||
| 1237 | N | 24.2 | Very low | 26.7 | Very low | 136 Ų | 136 | 115.6 Ų | 115.6 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | -177.8 | 172.6 | 69.7 | -167.4 | 17 | 0 | 0 | 0 | 113.3 | |||||
| 1238 | T | 24.2 | Very low | 26.8 | Very low | 101 Ų | 101 | 114.7 Ų | 114.7 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | trans | 65.8 | 105.2 | 151.7 | 33.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1239 | T | 23.1 | Very low | 26.5 | Very low | 115 Ų | 115 | 115.4 Ų | 115.4 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | 66.4 | 101.5 | 108.4 | -52.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1240 | S | 22.9 | Very low | 26.2 | Very low | 68 Ų | 68 | 118 Ų | 118 | 48% | 0.476 | 68% | 0.682 | S | S | . | * | trans | 72.6 | 152.7 | 145.2 | -46.8 | 0 | 0 | 0 | 0 | 116.7 | S1468 | S1240-S1468 VanDerWaalsContact O-CA 3.25Å; S1240-S1468 WeakPolarHBondContact O-CA 3.36Å; S1240-S1468 PolarHBondContact O-N 3.36Å | ||
| 1241 | T | 23.3 | Very low | 25.9 | Very low | 59 Ų | 59 | 119.9 Ų | 119.9 | 36% | 0.362 | 69% | 0.69 | S | S | . | * | cis | -168.7 | -169.8 | -9 | 10.3 | 0 | 0 | 0 | 0 | 108.7 | Q1467 S1468 L1469 F1470 | T1241-Q1467 CarbonylContact O-C 3.19Å; T1241-S1468 CarbonylContact C-O 3.57Å; T1241-S1468 VanDerWaalsContact C-O 3.3Å; T1241-S1468 WeakPolarHBondContact CA-O 3.37Å; T1241-S1468 WeakPolarHBondContact CB-O 3.47Å; T1241-S1468 VanDerWaalsContact N-C 3.32Å; T1241-S1468 PolarHBondContact N-O 2.95Å; T1241-S1468 PolarHBondContact O-N 2.97Å; T1241-S1468 PolarHBondContact OG1-O 3.29Å; T1241-L1469 WeakPolarHBondContact OG1-CA 3.44Å; T1241-L1469 PolarHBondContact OG1-N 3.34Å; T1241-L1469 VanDerWaalsContact OG1-N 3.11Å; T1241-L1469 PolarHBondContact OG1-O 2.97Å; T1241-F1470 PolarHBondContact OG1-N 2.96Å | ||
| 1242 | I | 24.2 | Very low | 25.7 | Very low | 112 Ų | 112 | 116.7 Ų | 116.7 | 57% | 0.574 | 69% | 0.689 | S | S | * | * | trans | 3.4 | 125.3 | 144.3 | -31.4 | 147.2 | 0 | 0 | 0 | 114.5 | ||||
| 1243 | I | 25.3 | Very low | 25.5 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | -161.9 | 110.2 | 83.7 | -90.1 | 171.7 | 0 | 0 | 0 | 111.5 | |||||
| 1244 | T | 26 | Very low | 25.4 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | trans | 61 | 171.8 | 144 | 73.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1245 | N | 25.8 | Very low | 25 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | cis | -160.8 | 157.8 | -8 | -123 | 11.1 | 0 | 0 | 0 | 105.9 | ||||
| 1246 | S | 26.7 | Very low | 24.8 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 50% | 0.497 | 68% | 0.678 | S | S | . | * | cis | -151.1 | -168.3 | -3.4 | -46.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1247 | D | 26.7 | Very low | 24.7 | Very low | 138 Ų | 138 | 117.8 Ų | 117.8 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | trans | 42.9 | 128.4 | 131.9 | -53.5 | -25.3 | 0 | 0 | 0 | 120.1 | ||||
| 1248 | T | 27.8 | Very low | 24.8 | Very low | 121 Ų | 121 | 116.4 Ų | 116.4 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | cis | -157.4 | 165.5 | 17.9 | -2.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1249 | T | 25.5 | Very low | 24.9 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | trans | -27.6 | 163 | 152.3 | 61.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1250 | T | 27.9 | Very low | 25.4 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 77% | 0.767 | 68% | 0.677 | S | S | * | * | cis | -163.3 | 156.4 | 43 | -37.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1251 | M | 22.7 | Very low | 25.8 | Very low | 176 Ų | 176 | 122.2 Ų | 122.2 | 87% | 0.867 | 69% | 0.686 | S | S | * | * | trans | -63.8 | 135.2 | 164.5 | -66.9 | -162.3 | -171.8 | 0 | 0 | 112.7 | ||||
| 1252 | S | 24.3 | Very low | 26 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | -169.5 | 134.5 | 123 | 11.7 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1253 | N | 23.2 | Very low | 26.2 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | cis | 77.8 | 148.5 | 40.1 | -162.6 | 22.2 | 0 | 0 | 0 | 113.1 | ||||
| 1254 | V | 23.1 | Very low | 26.4 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | trans | 76.1 | 140.4 | 179.6 | -169.2 | 0 | 0 | 0 | 0 | 114.8 | F1256 | V1254-F1256 HydrophobicContact CG1-CD2 4.43Å; V1254-F1256 HydrophobicContact CG1-CE2 3.97Å | ||
| 1255 | T | 23.3 | Very low | 26.6 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 61% | 0.613 | 68% | 0.676 | S | S | * | * | cis | -178 | -171.4 | -36.5 | -84.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1256 | F | 23.6 | Very low | 26.5 | Very low | 164 Ų | 164 | 117.1 Ų | 117.1 | 72% | 0.719 | 67% | 0.666 | S | S | * | * | trans | 88.6 | 106.4 | 166.6 | -55.7 | -82.2 | 0 | 0 | 0 | 114.1 | V1254 | V1254-F1256 HydrophobicContact CG1-CD2 4.43Å; V1254-F1256 HydrophobicContact CG1-CE2 3.97Å | ||
| 1257 | N | 24.6 | Very low | 26.4 | Very low | 135 Ų | 135 | 121 Ų | 121 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | 66.4 | 131 | 71.1 | -63.9 | -33.5 | 0 | 0 | 0 | 110.8 | |||||
| 1258 | S | 27 | Very low | 26.2 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | cis | -143.5 | 162.5 | 22.8 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1259 | K | 27 | Very low | 25.8 | Very low | 186 Ų | 186 | 119.1 Ų | 119.1 | 81% | 0.809 | 68% | 0.677 | S | S | * | * | 53.7 | 145.4 | 60.6 | -110.7 | -170.1 | 177.3 | -177.7 | 0 | 112.2 | |||||
| 1260 | P | 33.1 | Very low | 25.6 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | cis | -139.6 | -165.6 | 14.1 | 35.7 | -9.5 | 0 | 0 | 0 | 114.7 | ||||
| 1261 | L | 30.2 | Very low | 25.3 | Very low | 125 Ų | 125 | 117 Ų | 117 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | 53.7 | 145.2 | 112 | -84.6 | 35 | 0 | 0 | 0 | 116.4 | |||||
| 1262 | F | 28.5 | Very low | 25.3 | Very low | 183 Ų | 183 | 114.6 Ų | 114.6 | 80% | 0.803 | 67% | 0.667 | S | S | * | * | cis | -132.8 | -177.8 | -4.9 | -81.7 | -77.2 | 0 | 0 | 0 | 106.8 | ||||
| 1263 | G | 29.1 | Very low | 25.2 | Very low | 41 Ų | 41 | 114.6 Ų | 114.6 | 42% | 0.423 | 66% | 0.661 | S | S | . | * | cis | -156.1 | -173.7 | 1.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q1620 | G1263-Q1620 CarbonylContact C-O 3.33Å; G1263-Q1620 WeakPolarHBondContact CA-O 3.43Å | ||
| 1264 | A | 28.6 | Very low | 25.2 | Very low | 57 Ų | 57 | 111.1 Ų | 111.1 | 47% | 0.471 | 65% | 0.653 | S | S | . | * | trans | -101.6 | -138 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1620 I1621 T1622 | A1264-Q1620 PolarHBondContact N-O 3.32Å; A1264-I1621 VanDerWaalsContact C-N 3.26Å; A1264-I1621 CarbonylContact O-C 3.47Å; A1264-I1621 WeakPolarHBondContact O-CA 3.47Å; A1264-I1621 PolarHBondContact O-N 3.06Å; A1264-T1622 PolarHBondContact O-N 3.18Å | ||
| 1265 | P | 29.3 | Very low | 25.3 | Very low | 54 Ų | 54 | 110.1 Ų | 110.1 | 35% | 0.351 | 65% | 0.651 | S | S | . | * | cis | -141.4 | -158 | 6.7 | 45.8 | -23.3 | 0 | 0 | 0 | 113.9 | I1621 | P1265-I1621 VanDerWaalsContact CD-N 3.25Å; P1265-I1621 HydrophobicContact CG-CG1 4.11Å | ||
| 1266 | N | 24.8 | Very low | 25.4 | Very low | 104 Ų | 104 | 110 Ų | 110 | 56% | 0.556 | 65% | 0.654 | S | S | * | * | 11.6 | 147.1 | 117.7 | -42.6 | -5.5 | 0 | 0 | 0 | 115.8 | |||||
| 1267 | M | 24 | Very low | 25.6 | Very low | 153 Ų | 153 | 108.1 Ų | 108.1 | 75% | 0.754 | 66% | 0.656 | S | S | * | * | cis | -147.9 | 139.5 | 36 | -143.8 | 118.7 | 152.9 | 0 | 0 | 110.4 | ||||
| 1268 | V | 22.4 | Very low | 25.6 | Very low | 110 Ų | 110 | 105.3 Ų | 105.3 | 67% | 0.667 | 65% | 0.646 | S | S | * | * | 45.8 | 91 | 126.6 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1269 | S | 20.5 | Very low | 25.6 | Very low | 110 Ų | 110 | 104.8 Ų | 104.8 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | 75.5 | -172.8 | 84.8 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1270 | A | 20.4 | Very low | 25.4 | Very low | 76 Ų | 76 | 101.9 Ų | 101.9 | 63% | 0.628 | 64% | 0.641 | S | S | * | * | trans | 69.1 | 123.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1271 | T | 21.5 | Very low | 24.9 | Very low | 116 Ų | 116 | 100.8 Ų | 100.8 | 71% | 0.712 | 65% | 0.647 | S | S | * | * | 54.7 | 72.1 | 61.5 | -44.5 | 0 | 0 | 0 | 0 | 109.8 | V1273 | T1271-V1273 HydrophobicContact CG2-CB 4.46Å; T1271-V1273 HydrophobicContact CG2-CG2 3.57Å | |||
| 1272 | T | 22.7 | Very low | 24.4 | Very low | 126 Ų | 126 | 98.4 Ų | 98.4 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | -135.1 | 120 | 93.6 | -74.2 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 1273 | V | 21.9 | Very low | 24.3 | Very low | 110 Ų | 110 | 97.1 Ų | 97.1 | 67% | 0.667 | 65% | 0.647 | S | S | * | * | 64.1 | 158 | 54.8 | -179.8 | 0 | 0 | 0 | 0 | 110 | T1271 | T1271-V1273 HydrophobicContact CG2-CB 4.46Å; T1271-V1273 HydrophobicContact CG2-CG2 3.57Å | |||
| 1274 | A | 23.9 | Very low | 23.8 | Very low | 71 Ų | 71 | 102 Ų | 102 | 59% | 0.587 | 66% | 0.661 | S | S | * | * | trans | 62.1 | 121.5 | -152.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1275 | S | 25.1 | Very low | 23.5 | Very low | 89 Ų | 89 | 106.7 Ų | 106.7 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | cis | 59.4 | 153.2 | 48.3 | 96.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1276 | S | 24.7 | Very low | 23.2 | Very low | 99 Ų | 99 | 110.5 Ų | 110.5 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | S | Bend | cis | -140.3 | 151.6 | 19.7 | -39.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1277 | T | 29 | Very low | 22.9 | Very low | 124 Ų | 124 | 114.6 Ų | 114.6 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | cis | -108.2 | 147.9 | 13.9 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1278 | C | 24.5 | Very low | 22.7 | Very low | 75 Ų | 75 | 110 Ų | 110 | 51% | 0.507 | 69% | 0.694 | S | S | . | * | 56.6 | 133.1 | 56.5 | -48.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1279 | S | 27.3 | Very low | 23.1 | Very low | 96 Ų | 96 | 111.6 Ų | 111.6 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | 44.2 | 136.7 | 67.7 | 104.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1280 | T | 23 | Very low | 23.4 | Very low | 125 Ų | 125 | 109.6 Ų | 109.6 | 77% | 0.767 | 68% | 0.682 | S | S | * | * | cis | -142 | 175.6 | 24.5 | -41.9 | 0 | 0 | 0 | 0 | 109.6 | A1282 | T1280-A1282 PolarHBondContact O-N 3.27Š| ||
| 1281 | G | 21.4 | Very low | 23.6 | Very low | 73 Ų | 73 | 112.6 Ų | 112.6 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | trans | -54.3 | 108.7 | 163 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1282 | A | 19.4 | Very low | 23.8 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | -106.6 | 133.3 | 116.6 | 0 | 0 | 0 | 0 | 0 | 104.7 | T1280 I1284 | T1280-A1282 PolarHBondContact O-N 3.27Å; A1282-I1284 HydrophobicContact CB-CG1 3.99Å; A1282-I1284 VanDerWaalsContact CB-N 3.34Å | |||
| 1283 | N | 27.6 | Very low | 24.4 | Very low | 157 Ų | 157 | 116.8 Ų | 116.8 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | cis | 43.9 | 32.6 | 33 | -70.9 | 3 | 0 | 0 | 0 | 112.4 | F1285 | N1283-F1285 PolarHBondContact O-N 3.06Š| ||
| 1284 | I | 18 | Very low | 25.8 | Very low | 142 Ų | 142 | 116.2 Ų | 116.2 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | trans | -73.6 | 119.2 | 139.9 | -63.1 | -174.7 | 0 | 0 | 0 | 104.7 | A1282 | A1282-I1284 HydrophobicContact CB-CG1 3.99Å; A1282-I1284 VanDerWaalsContact CB-N 3.34Å | ||
| 1285 | F | 21.5 | Very low | 26.8 | Very low | 156 Ų | 156 | 117.7 Ų | 117.7 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | trans | -13.1 | 136.7 | 163.9 | -77.5 | -96.5 | 0 | 0 | 0 | 115.4 | N1283 F1287 | N1283-F1285 PolarHBondContact O-N 3.06Å; F1285-F1287 PolarHBondContact O-N 2.71Å; F1285-F1287 VanDerWaalsContact O-N 3.16Å | ||
| 1286 | L | 22.7 | Very low | 27.4 | Very low | 134 Ų | 134 | 119 Ų | 119 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | 45.1 | 28.5 | 51.7 | -56 | 156.8 | 0 | 0 | 0 | 112.6 | G1288 | L1286-G1288 PolarHBondContact O-N 3.15Š| |||
| 1287 | F | 19.5 | Very low | 27.7 | Very low | 191 Ų | 191 | 120.6 Ų | 120.6 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | trans | -58.6 | 123.2 | 138.2 | -78.2 | -53.9 | 0 | 0 | 0 | 104.5 | F1285 | F1285-F1287 PolarHBondContact O-N 2.71Å; F1285-F1287 VanDerWaalsContact O-N 3.16Å | ||
| 1288 | G | 19.9 | Very low | 27.8 | Very low | 57 Ų | 57 | 121 Ų | 121 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | S | Bend | 90 | 61.8 | 73.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | L1286 | L1286-G1288 PolarHBondContact O-N 3.15Š| |
| 1289 | N | 31.8 | Very low | 28 | Very low | 142 Ų | 142 | 123.5 Ų | 123.5 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | cis | -108.8 | 129.4 | 22.2 | -93.6 | 6.1 | 0 | 0 | 0 | 116.8 | ||||
| 1290 | P | 26.1 | Very low | 28.1 | Very low | 68 Ų | 68 | 121.1 Ų | 121.1 | 44% | 0.442 | 71% | 0.708 | S | S | . | * | trans | -63.1 | 148.7 | 135.7 | 31.9 | -35.7 | 0 | 0 | 0 | 110.4 | ||||
| 1291 | N | 24.2 | Very low | 28.3 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 63.6 | 146.1 | 168.5 | -55 | -31.8 | 0 | 0 | 0 | 117.2 | ||
| 1292 | Q | 25.6 | Very low | 28.5 | Very low | 173 Ų | 173 | 119.6 Ų | 119.6 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | trans | 63.9 | 115.7 | 170.9 | -46.3 | -179.5 | 10.4 | 0 | 0 | 114.6 | ||||
| 1293 | L | 36 | Very low | 28.9 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | S | Bend | cis | -147.3 | 150.1 | -3.8 | -61.4 | 97.1 | 0 | 0 | 0 | 106.4 | ||
| 1294 | S | 49.9 | Very low | 28.8 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | cis | -169.9 | 134.6 | -2.4 | 43.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1295 | S | 46.6 | Very low | 29.2 | Very low | 102 Ų | 102 | 116 Ų | 116 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | trans | 49.5 | 137.7 | 145 | 59.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1296 | T | 37.3 | Very low | 29.8 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 72% | 0.718 | 67% | 0.667 | S | S | * | * | cis | -174.5 | 151.1 | -5.5 | 19.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1297 | N | 30.2 | Very low | 30.4 | Very low | 133 Ų | 133 | 110.6 Ų | 110.6 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | trans | 73.1 | 174.1 | 160.6 | -57.8 | -14.7 | 0 | 0 | 0 | 118.6 | ||||
| 1298 | N | 30.8 | Very low | 30.7 | Very low | 131 Ų | 131 | 103.9 Ų | 103.9 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | cis | -175.5 | 163.1 | -46.2 | -82.8 | -16.8 | 0 | 0 | 0 | 109.4 | ||||
| 1299 | T | 29.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 106.3 Ų | 106.3 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | cis | -174.5 | 137.9 | -35.2 | 39.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1300 | G | 30.1 | Very low | 31.4 | Very low | 46 Ų | 46 | 103.1 Ų | 103.1 | 47% | 0.474 | 63% | 0.627 | S | S | . | * | trans | 119 | 142.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 122 | T1008 | T1008-G1300 PolarHBondContact OG1-O 2.71Š| ||
| 1301 | S | 26 | Very low | 31.5 | Very low | 78 Ų | 78 | 105.5 Ų | 105.5 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | trans | 99.1 | -147.4 | 150.4 | -5.4 | 0 | 0 | 0 | 0 | 123.7 | T1007 T1008 | T1007-S1301 CarbonylContact O-C 3.53Å; T1007-S1301 WeakPolarHBondContact O-CA 3.26Å; T1008-S1301 WeakPolarHBondContact OG1-CB 3.37Å; T1008-S1301 PolarHBondContact OG1-OG 3.44Å | ||
| 1302 | V | 26.4 | Very low | 31.7 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 53% | 0.527 | 64% | 0.64 | S | S | . | * | trans | -157.5 | 173.5 | -146.1 | -138.6 | 0 | 0 | 0 | 0 | 116.1 | T1007 T1008 T1009 | T1007-V1302 CarbonylContact C-O 3.49Å; T1007-V1302 WeakPolarHBondContact CG2-O 3.42Å; T1007-V1302 PolarHBondContact O-N 2.82Å; T1008-V1302 CarbonylContact C-O 3.57Å; T1008-V1302 WeakPolarHBondContact CA-O 3.31Å; T1008-V1302 PolarHBondContact N-O 3.05Å; T1009-V1302 PolarHBondContact N-O 2.9Å | ||
| 1303 | T | 26.5 | Very low | 31.8 | Very low | 58 Ų | 58 | 100.9 Ų | 100.9 | 36% | 0.356 | 64% | 0.635 | S | S | . | * | trans | 64.3 | 138.9 | 157.1 | 55.9 | 0 | 0 | 0 | 0 | 124.2 | T1007 T1009 | T1007-T1303 VanDerWaalsContact CG2-O 3.22Å; T1007-T1303 WeakPolarHBondContact CG2-O 3.42Å; T1009-T1303 WeakPolarHBondContact CB-OG1 3.45Å; T1009-T1303 WeakPolarHBondContact CG2-OG1 3.43Å; T1009-T1303 PolarHBondContact N-OG1 3.16Å; T1009-T1303 PolarHBondContact OG1-OG1 3.46Å | ||
| 1304 | T | 26 | Very low | 31.5 | Very low | 109 Ų | 109 | 101.7 Ų | 101.7 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | trans | 59.2 | 126.2 | 140.2 | 55 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1305 | V | 27.6 | Very low | 30.5 | Very low | 131 Ų | 131 | 102.7 Ų | 102.7 | 79% | 0.794 | 64% | 0.635 | S | S | * | * | trans | 89.5 | 125.2 | 133.8 | 168.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1306 | S | 33.9 | Very low | 29.7 | Very low | 90 Ų | 90 | 101.5 Ų | 101.5 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | trans | 44.2 | 120.6 | 153.8 | -64.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1307 | P | 35 | Very low | 29.5 | Very low | 86 Ų | 86 | 102.4 Ų | 102.4 | 56% | 0.558 | 64% | 0.644 | S | S | * | * | trans | -73 | 136.2 | 152 | -17.1 | 33.4 | 0 | 0 | 0 | 114.2 | S1425 V1426 | P1307-S1425 WeakPolarHBondContact CA-O 3.36Å; P1307-V1426 HydrophobicContact CB-CG2 4.42Å | ||
| 1308 | A | 24.9 | Very low | 29.6 | Very low | 50 Ų | 50 | 101.1 Ų | 101.1 | 41% | 0.413 | 64% | 0.643 | S | S | . | * | -96.4 | -156.8 | 112.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S1423 S1425 V1426 | A1308-S1423 WeakPolarHBondContact CB-O 3.17Å; A1308-S1423 PolarHBondContact N-O 3.5Å; A1308-S1425 CarbonylContact O-C 3.42Å; A1308-S1425 WeakPolarHBondContact O-CA 3.27Å; A1308-V1426 PolarHBondContact O-N 3.24Å; A1308-V1426 VanDerWaalsContact O-N 3.11Å | |||
| 1309 | N | 30.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 102.2 Ų | 102.2 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | trans | -80.7 | -159.4 | -161.7 | -111.1 | -26.6 | 0 | 0 | 0 | 114.3 | N1424 S1425 | N1309-N1424 PolarHBondContact N-OD1 2.82Å; N1309-N1424 VanDerWaalsContact O-CA 3.32Å; N1309-N1424 WeakPolarHBondContact O-CA 3.42Å; N1309-N1424 WeakPolarHBondContact O-CB 3.31Å; N1309-N1424 PolarHBondContact O-OD1 3.5Å; N1309-S1425 WeakPolarHBondContact O-CA 3.34Å | ||
| 1310 | P | 36.4 | Very low | 29.7 | Very low | 74 Ų | 74 | 101.1 Ų | 101.1 | 48% | 0.481 | 65% | 0.645 | S | S | . | * | -137.3 | -164.2 | -54.5 | 40.8 | -24.5 | 0 | 0 | 0 | 114.7 | |||||
| 1311 | V | 28.9 | Very low | 29.8 | Very low | 119 Ų | 119 | 106 Ų | 106 | 72% | 0.721 | 65% | 0.653 | S | S | * | * | trans | 88.6 | 94.5 | 143.7 | 161.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1312 | I | 28.1 | Very low | 30 | Very low | 146 Ų | 146 | 106.2 Ų | 106.2 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | 51.2 | 126.9 | 119 | -55.9 | 164.5 | 0 | 0 | 0 | 122.8 | F1314 | I1312-F1314 HydrophobicContact CG2-CD2 3.96Å; I1312-F1314 HydrophobicContact CG2-CE2 4.12Å | |||
| 1313 | G | 28.2 | Very low | 30.3 | Very low | 68 Ų | 68 | 109.3 Ų | 109.3 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | 111.2 | 157 | 132.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1314 | F | 29 | Very low | 30.6 | Very low | 175 Ų | 175 | 109.7 Ų | 109.7 | 77% | 0.768 | 67% | 0.672 | S | S | * | * | cis | -170.8 | 163.8 | -14.3 | -128.5 | -68.2 | 0 | 0 | 0 | 111.3 | I1312 | I1312-F1314 HydrophobicContact CG2-CD2 3.96Å; I1312-F1314 HydrophobicContact CG2-CE2 4.12Å | ||
| 1315 | T | 29.4 | Very low | 30.8 | Very low | 119 Ų | 119 | 113.4 Ų | 113.4 | 73% | 0.73 | 68% | 0.679 | S | S | * | * | trans | 68.5 | 145.4 | 157.5 | 54.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1316 | G | 29 | Very low | 31 | Very low | 76 Ų | 76 | 113.3 Ų | 113.3 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | trans | 164.2 | 49 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1317 | T | 33.2 | Very low | 31 | Very low | 137 Ų | 137 | 117 Ų | 117 | 84% | 0.84 | 68% | 0.679 | S | S | * | * | trans | -89 | -168.8 | 171 | 54 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1318 | P | 33.7 | Very low | 30.8 | Very low | 105 Ų | 105 | 118 Ų | 118 | 68% | 0.682 | 68% | 0.683 | S | S | * | * | cis | -155 | -157.9 | 27.2 | 35.1 | -5.2 | 0 | 0 | 0 | 118.4 | ||||
| 1319 | I | 31.3 | Very low | 31.3 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | trans | 66 | 138.3 | 163.9 | 11 | 179.1 | 0 | 0 | 0 | 118 | ||||
| 1320 | S | 30.8 | Very low | 31.4 | Very low | 106 Ų | 106 | 120.8 Ų | 120.8 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | cis | -151.1 | -174.3 | 12.8 | -40.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1321 | K | 31.3 | Very low | 31.2 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | cis | -160.7 | 165.1 | -3.5 | -152.7 | -153.9 | 158.5 | -128.4 | 0 | 109.9 | E1323 | K1321-E1323 WeakPolarHBondContact CE-OE1 3.39Å; K1321-E1323 IonicContact NZ-OE1 2.95Å; K1321-E1323 PolarHBondContact NZ-OE1 3.3Å; K1321-E1323 IonicContact NZ-OE2 2.67Å; K1321-E1323 PolarHBondContact NZ-OE2 2.74Å | ||
| 1322 | S | 30.8 | Very low | 31.2 | Very low | 81 Ų | 81 | 121.5 Ų | 121.5 | 57% | 0.566 | 71% | 0.709 | S | S | * | * | trans | 51.3 | 143 | 142.2 | 62.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1323 | E | 32.1 | Very low | 31.2 | Very low | 153 Ų | 153 | 120.7 Ų | 120.7 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | cis | 179.6 | 155.8 | -14.5 | -104.7 | 125.5 | -126.5 | 0 | 0 | 105.3 | K1321 | K1321-E1323 WeakPolarHBondContact CE-OE1 3.39Å; K1321-E1323 IonicContact NZ-OE1 2.95Å; K1321-E1323 PolarHBondContact NZ-OE1 3.3Å; K1321-E1323 IonicContact NZ-OE2 2.67Å; K1321-E1323 PolarHBondContact NZ-OE2 2.74Å | ||
| 1324 | A | 32 | Very low | 31.3 | Very low | 66 Ų | 66 | 121.3 Ų | 121.3 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | cis | -167.4 | -179.3 | -17.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1325 | F | 30.7 | Very low | 31.4 | Very low | 186 Ų | 186 | 118.4 Ų | 118.4 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | 70.7 | 132.5 | 174.1 | -49.3 | -72.4 | 0 | 0 | 0 | 115.7 | ||||
| 1326 | N | 32.8 | Very low | 31.4 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | cis | -161 | 164.7 | 3.4 | -102.6 | -28.8 | 0 | 0 | 0 | 108.4 | ||||
| 1327 | K | 33.1 | Very low | 31.3 | Very low | 168 Ų | 168 | 124 Ų | 124 | 73% | 0.73 | 70% | 0.702 | S | S | * | * | cis | -151.4 | 131.6 | 2.1 | -128.4 | -159.4 | -177.3 | -177.7 | 0 | 111 | ||||
| 1328 | T | 31.3 | Very low | 31.1 | Very low | 105 Ų | 105 | 123 Ų | 123 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | trans | 22.8 | 151.7 | 133.8 | 58.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1329 | P | 35.3 | Very low | 31 | Very low | 98 Ų | 98 | 121 Ų | 121 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | cis | -151.4 | 161.8 | -23.5 | 40.9 | -21.6 | 0 | 0 | 0 | 118.9 | ||||
| 1330 | T | 31.8 | Very low | 30.9 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | 60.5 | 157.1 | 138.6 | 53.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1331 | T | 33.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | cis | -159.2 | 140.7 | 0.1 | 18.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 1332 | S | 27.7 | Very low | 30.7 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | cis | 69.4 | 148.2 | 45.2 | 79.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1333 | V | 29.2 | Very low | 30.5 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | cis | -150.8 | 179.1 | 13 | -136 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1334 | S | 28.8 | Very low | 30.2 | Very low | 81 Ų | 81 | 118 Ų | 118 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | trans | -82.1 | -179.2 | 165 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1335 | P | 31.9 | Very low | 30.2 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | -144.4 | -160.6 | 98.4 | 40.7 | -23 | 0 | 0 | 0 | 112.2 | |||||
| 1336 | L | 29.6 | Very low | 30 | Very low | 149 Ų | 149 | 113.4 Ų | 113.4 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | cis | -143.7 | -119.2 | 4.8 | -163.2 | 59.9 | 0 | 0 | 0 | 113.4 | ||||
| 1337 | F | 27.3 | Very low | 29.6 | Very low | 163 Ų | 163 | 112.3 Ų | 112.3 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | trans | -155.6 | 162.7 | -157.7 | -86.8 | -103.2 | 0 | 0 | 0 | 115.5 | ||||
| 1338 | S | 29.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 110.4 Ų | 110.4 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | trans | 73.5 | 151.1 | 161.8 | 72.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1339 | G | 30.5 | Very low | 29.1 | Very low | 63 Ų | 63 | 111.2 Ų | 111.2 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | cis | 171.3 | 160.3 | -10 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1340 | T | 30.6 | Very low | 28.8 | Very low | 135 Ų | 135 | 111.4 Ų | 111.4 | 83% | 0.828 | 71% | 0.706 | S | S | * | * | trans | 77.9 | 125.5 | 165 | 65.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1341 | A | 29 | Very low | 28.4 | Very low | 90 Ų | 90 | 111.2 Ų | 111.2 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | trans | 63.3 | 126.4 | 132.1 | 0 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 1342 | L | 27.5 | Very low | 28 | Very low | 161 Ų | 161 | 111.5 Ų | 111.5 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | 65.4 | 118 | 142.6 | -89.6 | 86.9 | 0 | 0 | 0 | 125.9 | ||||
| 1343 | S | 26.9 | Very low | 27.9 | Very low | 93 Ų | 93 | 114.9 Ų | 114.9 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | 74.4 | 127.4 | 133.2 | 66.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1344 | T | 26.2 | Very low | 27.7 | Very low | 103 Ų | 103 | 112.8 Ų | 112.8 | 63% | 0.632 | 72% | 0.715 | S | S | * | * | trans | 68.3 | 177.6 | 164.1 | 68.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1345 | P | 32.1 | Very low | 27.5 | Very low | 55 Ų | 55 | 113.9 Ų | 113.9 | 36% | 0.357 | 72% | 0.723 | S | S | . | * | -120.3 | -175.5 | -72.7 | 38.9 | -27 | 0 | 0 | 0 | 115.4 | F1420 S1421 V1422 | P1345-F1420 HydrophobicContact CB-CD1 3.9Å; P1345-F1420 HydrophobicContact CG-CD1 3.68Å; P1345-F1420 HydrophobicContact CG-CE1 3.9Å; P1345-S1421 WeakPolarHBondContact CB-OG 3.49Å; P1345-V1422 HydrophobicContact CB-CB 4.45Å | |||
| 1346 | V | 25.7 | Very low | 27.2 | Very low | 99 Ų | 99 | 114.2 Ų | 114.2 | 60% | 0.6 | 72% | 0.718 | S | S | * | * | trans | -31.1 | 125.5 | -174.3 | 179.1 | 0 | 0 | 0 | 0 | 117.1 | V1422 | V1346-V1422 HydrophobicContact CB-CG2 4.36Å; V1346-V1422 HydrophobicContact CG2-CB 4.29Å; V1346-V1422 HydrophobicContact CG2-CG2 3.89Å; V1346-V1422 VanDerWaalsContact N-CG2 3.3Å | ||
| 1347 | S | 25.6 | Very low | 27.1 | Very low | 107 Ų | 107 | 110.5 Ų | 110.5 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -167.1 | 154.2 | 142.5 | 37.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1348 | V | 28.8 | Very low | 27.1 | Very low | 129 Ų | 129 | 108 Ų | 108 | 78% | 0.782 | 69% | 0.693 | S | S | * | * | trans | -87.9 | 141.8 | 164.4 | 167.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1349 | P | 25.1 | Very low | 26.9 | Very low | 122 Ų | 122 | 108.5 Ų | 108.5 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | trans | -115 | 105.7 | 151.8 | 33.2 | -23.5 | 0 | 0 | 0 | 110.9 | ||||
| 1350 | S | 27.4 | Very low | 26.8 | Very low | 101 Ų | 101 | 110.3 Ų | 110.3 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | -80.4 | 179.9 | 151.6 | 53.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1351 | C | 25.1 | Very low | 26.6 | Very low | 118 Ų | 118 | 110 Ų | 110 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | trans | 71.8 | 162.2 | -176.7 | -125.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1352 | V | 25 | Very low | 26.7 | Very low | 118 Ų | 118 | 110.2 Ų | 110.2 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | cis | -137.9 | 155.8 | 12.2 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1353 | I | 24.8 | Very low | 26.7 | Very low | 166 Ų | 166 | 112.3 Ų | 112.3 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | trans | 146.5 | 125.9 | 145.5 | -77.5 | 154.8 | 0 | 0 | 0 | 107.9 | ||||
| 1354 | A | 24.5 | Very low | 26.7 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | cis | -168.2 | 152.4 | -19.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1355 | S | 24.2 | Very low | 26.7 | Very low | 104 Ų | 104 | 110.2 Ų | 110.2 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | cis | -153.9 | -148.4 | -1.6 | 43.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1356 | N | 26.1 | Very low | 26.3 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | cis | -166.8 | 156.2 | 4.5 | -144.2 | -18.2 | 0 | 0 | 0 | 110.5 | ||||
| 1357 | T | 26.9 | Very low | 26.3 | Very low | 72 Ų | 72 | 113 Ų | 113 | 44% | 0.442 | 73% | 0.725 | S | S | . | * | trans | 54.5 | 144.3 | 158.7 | 54.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1358 | H | 27.3 | Very low | 26.5 | Very low | 111 Ų | 111 | 113.2 Ų | 113.2 | 51% | 0.514 | 72% | 0.724 | S | S | . | * | cis | -159 | 139.5 | -0.1 | -124.7 | -150 | 0 | 0 | 0 | 109.1 | S435 S436 | S435-H1358 VanDerWaalsContact C-CE1 3.43Å; S435-H1358 PolarHBondContact O-CE1 2.93Å; S435-H1358 PolarHBondContact O-NE2 3.02Å; S436-H1358 WeakPolarHBondContact CA-NE2 3.13Å; S436-H1358 WeakPolarHBondContact CB-CE1 3.1Å; S436-H1358 WeakPolarHBondContact CB-NE2 3.39Å; S436-H1358 PolarHBondContact N-NE2 3.08Å; S436-H1358 PolarHBondContact O-CD2 3.18Å; S436-H1358 PolarHBondContact O-NE2 3.23Å; S436-H1358 PolarHBondContact OG-CE1 3.12Å; S436-H1358 PolarHBondContact OG-NE2 3.45Å | ||
| 1359 | M | 25.7 | Very low | 26.3 | Very low | 125 Ų | 125 | 113.7 Ų | 113.7 | 62% | 0.616 | 72% | 0.721 | S | S | * | * | 63.2 | 134.1 | 93.8 | -66.4 | -80.6 | -79.4 | 0 | 0 | 115 | |||||
| 1360 | S | 28 | Very low | 26.2 | Very low | 101 Ų | 101 | 113.5 Ų | 113.5 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | cis | -147.3 | 165.9 | 10.3 | -52 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1361 | T | 27.1 | Very low | 26.1 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 80% | 0.798 | 72% | 0.718 | S | S | * | * | trans | -81.5 | -161.5 | 155 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1362 | P | 31.5 | Very low | 26.2 | Very low | 93 Ų | 93 | 115.8 Ų | 115.8 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | cis | -139.8 | -164.5 | -3 | 25.6 | 2.8 | 0 | 0 | 0 | 115.5 | ||||
| 1363 | F | 26.3 | Very low | 26.4 | Very low | 205 Ų | 205 | 115.7 Ų | 115.7 | 90% | 0.899 | 72% | 0.718 | S | S | * | * | trans | 70.3 | 145.9 | 170.3 | -57.2 | -79.3 | 0 | 0 | 0 | 117.7 | ||||
| 1364 | G | 26.6 | Very low | 26.5 | Very low | 75 Ų | 75 | 111.9 Ų | 111.9 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | cis | 163.4 | 161.9 | -10 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1365 | G | 26.1 | Very low | 26.7 | Very low | 77 Ų | 77 | 113.1 Ų | 113.1 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | 96.2 | 99.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1366 | S | 24.7 | Very low | 27.4 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | 38.2 | 107.3 | 126.8 | -50.2 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1367 | A | 25.4 | Very low | 27.6 | Very low | 94 Ų | 94 | 115.2 Ų | 115.2 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | 64.8 | -174.3 | 123.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1368 | P | 30.5 | Very low | 27.7 | Very low | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | -127.6 | -158.2 | -69.1 | 34.1 | -15.9 | 0 | 0 | 0 | 114 | |||||
| 1369 | I | 23.7 | Very low | 27.7 | Very low | 140 Ų | 140 | 118.5 Ų | 118.5 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 93.8 | 95 | 152.5 | -69.1 | 162.7 | 0 | 0 | 0 | 121.5 | ||||
| 1370 | T | 23.9 | Very low | 27.8 | Very low | 118 Ų | 118 | 119 Ų | 119 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 69.7 | 154 | 131.3 | 68.5 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 1371 | T | 25.3 | Very low | 27.8 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | trans | 86.1 | 112.6 | 153.3 | -33.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1372 | I | 27.2 | Very low | 27.7 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | 74.7 | 128.5 | 53.4 | -60.2 | 175.3 | 0 | 0 | 0 | 111.3 | |||||
| 1373 | P | 29.2 | Very low | 27.4 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | -120.5 | 170.1 | 41.2 | 16 | 10.2 | 0 | 0 | 0 | 114.8 | ||||
| 1374 | A | 26.3 | Very low | 27.4 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | cis | 72.3 | 137 | 48.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1375 | S | 29.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | cis | -162.4 | -168.1 | 18.8 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1376 | P | 38.3 | Very low | 27.2 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | cis | -118.1 | -167.3 | -27.6 | 42.2 | -26.2 | 0 | 0 | 0 | 110.4 | ||||
| 1377 | M | 29.6 | Very low | 27.2 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | cis | -158.8 | 143.2 | 31.9 | -126.4 | 169.3 | 72.6 | 0 | 0 | 110.6 | ||||
| 1378 | F | 28.4 | Very low | 27.2 | Very low | 193 Ų | 193 | 124.6 Ų | 124.6 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 39.7 | 119.8 | 168.1 | -61.2 | -81.6 | 0 | 0 | 0 | 120.5 | ||||
| 1379 | G | 28.2 | Very low | 26.9 | Very low | 59 Ų | 59 | 123.9 Ų | 123.9 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | cis | 156.9 | 159.1 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1380 | T | 28.6 | Very low | 26.9 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | 66.9 | 151.8 | 156.5 | 65.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1381 | T | 26.9 | Very low | 27.1 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | cis | -176.3 | 149.9 | -23.7 | 36.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1382 | V | 26 | Very low | 27.1 | Very low | 107 Ų | 107 | 118.5 Ų | 118.5 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | cis | -160.8 | 150.8 | -19.1 | 42.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1383 | F | 24.6 | Very low | 27 | Very low | 209 Ų | 209 | 118.2 Ų | 118.2 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | trans | 63.9 | 167.3 | 156.1 | -64.3 | -167.4 | 0 | 0 | 0 | 116.9 | ||||
| 1384 | G | 25.6 | Very low | 26.7 | Very low | 66 Ų | 66 | 121.2 Ų | 121.2 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | cis | 146 | 151.4 | -13.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1385 | K | 23.8 | Very low | 26.8 | Very low | 223 Ų | 223 | 123.7 Ų | 123.7 | 97% | 0.97 | 76% | 0.76 | S | S | * | * | trans | 66.2 | 165.1 | 174.6 | -66.3 | -177.4 | 174.5 | 179.9 | 0 | 117.9 | ||||
| 1386 | G | 25.6 | Very low | 26.6 | Very low | 61 Ų | 61 | 121.3 Ų | 121.3 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | trans | 105 | 90.8 | 165 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1387 | T | 24.6 | Very low | 26.1 | Very low | 131 Ų | 131 | 122 Ų | 122 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | 65.6 | 129 | 64.4 | 72.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1388 | S | 24.6 | Very low | 25.9 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 62.9 | 122.6 | 140.4 | 64.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1389 | S | 24.1 | Very low | 26 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | 63 | 132.5 | 128.1 | 66.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1390 | S | 25.2 | Very low | 26 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 69.3 | 161.7 | 136.6 | 71.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1391 | G | 26.5 | Very low | 25.8 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | 83.7 | 155.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1392 | G | 25.1 | Very low | 25.8 | Very low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | cis | 72.4 | 147.7 | 10.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1393 | L | 25 | Very low | 25.7 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | cis | -161.1 | 137.9 | 4.6 | -142.6 | 90.7 | 0 | 0 | 0 | 107.9 | ||||
| 1394 | F | 24.1 | Very low | 25.7 | Very low | 180 Ų | 180 | 119.5 Ų | 119.5 | 79% | 0.789 | 75% | 0.748 | S | S | * | * | trans | 64.6 | 172.1 | 155.3 | -78.4 | -142.5 | 0 | 0 | 0 | 118.5 | ||||
| 1395 | T | 28.2 | Very low | 26.3 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | 49.4 | 113 | 165.6 | 50.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1396 | G | 26.3 | Very low | 26.5 | Very low | 61 Ų | 61 | 116.7 Ų | 116.7 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | cis | 110.7 | 161.6 | 9.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1397 | T | 26.3 | Very low | 26.6 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | trans | 67.1 | 145.7 | -176 | 70.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1398 | N | 26.2 | Very low | 26.8 | Very low | 136 Ų | 136 | 117 Ų | 117 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | cis | -156.6 | 161.6 | -4.2 | -118.6 | -10.2 | 0 | 0 | 0 | 111.6 | ||||
| 1399 | V | 29.6 | Very low | 26.9 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | 43.2 | 124.5 | 142.9 | -178.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 1400 | S | 28.6 | Very low | 27.1 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -161.8 | 156 | 12.3 | 41.8 | 0 | 0 | 0 | 0 | 108.5 | ||
| 1401 | S | 25.9 | Very low | 27.1 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -161.1 | 142.3 | 3.2 | 40.2 | 0 | 0 | 0 | 0 | 107.9 | ||
| 1402 | F | 24.9 | Very low | 27.2 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -144.7 | 129.4 | -2.6 | -122.2 | -76.3 | 0 | 0 | 0 | 107.6 | ||
| 1403 | Q | 24.2 | Very low | 27.3 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 46.4 | 123.5 | 160.4 | -73.8 | 175 | -76.4 | 0 | 0 | 119.9 | ||||
| 1404 | T | 25.6 | Very low | 27.5 | Very low | 112 Ų | 112 | 125 Ų | 125 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | cis | -159.3 | 134.8 | -6.3 | -16.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 1405 | T | 37.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | 48.6 | 124.5 | 64.9 | -2.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1406 | T | 27.8 | Very low | 27.4 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | cis | -153.8 | 120.5 | -0.2 | -1.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 1407 | S | 28.4 | Very low | 27.4 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | 91.4 | 124.4 | 75.8 | -64.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1408 | S | 29.1 | Very low | 27.2 | Very low | 103 Ų | 103 | 120.1 Ų | 120.1 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | 71 | 160.7 | 131.9 | 72.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1409 | S | 27.4 | Very low | 27 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | 83.6 | 151.1 | 143 | 91.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1410 | I | 26.8 | Very low | 26.7 | Very low | 142 Ų | 142 | 122 Ų | 122 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | cis | -162.9 | -179.2 | -18.4 | -118.5 | 167.8 | 0 | 0 | 0 | 107 | ||||
| 1411 | L | 26.4 | Very low | 26.5 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | trans | 72.5 | 148.9 | 178.5 | -51.3 | 124.1 | 0 | 0 | 0 | 114.1 | ||||
| 1412 | Q | 28.2 | Very low | 26.3 | Very low | 161 Ų | 161 | 118 Ų | 118 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | cis | -142.1 | 143.3 | -15.6 | -108 | 150.1 | -29.4 | 0 | 0 | 106.2 | ||||
| 1413 | S | 25.8 | Very low | 26.3 | Very low | 105 Ų | 105 | 113.1 Ų | 113.1 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | 67.6 | 143.8 | 66.8 | -130.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1414 | P | 30.4 | Very low | 26.3 | Very low | 119 Ų | 119 | 109.8 Ų | 109.8 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | -138.1 | 159.7 | -76 | 36.9 | -21.5 | 0 | 0 | 0 | 115.3 | |||||
| 1415 | G | 25.8 | Very low | 26.3 | Very low | 71 Ų | 71 | 107.8 Ų | 107.8 | 73% | 0.732 | 67% | 0.669 | S | S | * | * | trans | 78.2 | 167.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1416 | I | 24.3 | Very low | 25.6 | Very low | 180 Ų | 180 | 106.2 Ų | 106.2 | 92% | 0.923 | 66% | 0.659 | S | S | * | * | trans | 48.1 | 74 | 144.1 | -40.6 | 176.4 | 0 | 0 | 0 | 117.4 | ||||
| 1417 | A | 25.2 | Very low | 25.5 | Very low | 98 Ų | 98 | 106.5 Ų | 106.5 | 81% | 0.81 | 66% | 0.661 | S | S | * | * | -152.1 | 149.2 | 127.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1418 | G | 23 | Very low | 25.2 | Very low | 59 Ų | 59 | 107.7 Ų | 107.7 | 61% | 0.608 | 66% | 0.664 | S | S | * | * | cis | 121.2 | 112.6 | 2.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1419 | L | 22.9 | Very low | 25.2 | Very low | 144 Ų | 144 | 108 Ų | 108 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | trans | 71.4 | 156.2 | 156.6 | -54.6 | 152.1 | 0 | 0 | 0 | 117.6 | ||||
| 1420 | F | 22.5 | Very low | 25 | Very low | 156 Ų | 156 | 107.5 Ų | 107.5 | 68% | 0.684 | 66% | 0.66 | S | S | * | * | trans | 66.6 | 154 | 164.6 | -44.3 | -55.7 | 0 | 0 | 0 | 115.6 | P1345 | P1345-F1420 HydrophobicContact CB-CD1 3.9Å; P1345-F1420 HydrophobicContact CG-CD1 3.68Å; P1345-F1420 HydrophobicContact CG-CE1 3.9Å | ||
| 1421 | S | 23.7 | Very low | 24.9 | Very low | 62 Ų | 62 | 106.1 Ų | 106.1 | 43% | 0.434 | 66% | 0.663 | S | S | . | * | cis | -147.9 | 134.9 | -14.7 | -167.5 | 0 | 0 | 0 | 0 | 107.3 | P1345 | P1345-S1421 WeakPolarHBondContact CB-OG 3.49Š| ||
| 1422 | V | 22.9 | Very low | 24.8 | Very low | 62 Ų | 62 | 106.6 Ų | 106.6 | 38% | 0.376 | 67% | 0.666 | S | S | . | * | 16.7 | 126.4 | 103.2 | 153.6 | 0 | 0 | 0 | 0 | 115.7 | P1345 V1346 | P1345-V1422 HydrophobicContact CB-CB 4.45Å; V1346-V1422 HydrophobicContact CB-CG2 4.36Å; V1346-V1422 HydrophobicContact CG2-CB 4.29Å; V1346-V1422 HydrophobicContact CG2-CG2 3.89Å; V1346-V1422 VanDerWaalsContact N-CG2 3.3Å | |||
| 1423 | S | 24.4 | Very low | 24.7 | Very low | 75 Ų | 75 | 105 Ų | 105 | 52% | 0.524 | 67% | 0.667 | S | S | . | * | -162.7 | 126.8 | 118.3 | -82 | 0 | 0 | 0 | 0 | 113.1 | A1308 | A1308-S1423 WeakPolarHBondContact CB-O 3.17Å; A1308-S1423 PolarHBondContact N-O 3.5Å | |||
| 1424 | N | 24.5 | Very low | 24.7 | Very low | 91 Ų | 91 | 104.4 Ų | 104.4 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | trans | -36.5 | 133.3 | 142.6 | -69.4 | -13.5 | 0 | 0 | 0 | 110.5 | N1309 | N1309-N1424 PolarHBondContact N-OD1 2.82Å; N1309-N1424 VanDerWaalsContact O-CA 3.32Å; N1309-N1424 WeakPolarHBondContact O-CA 3.42Å; N1309-N1424 WeakPolarHBondContact O-CB 3.31Å; N1309-N1424 PolarHBondContact O-OD1 3.5Å | ||
| 1425 | S | 24.6 | Very low | 24.4 | Very low | 70 Ų | 70 | 104.7 Ų | 104.7 | 49% | 0.49 | 66% | 0.662 | S | S | . | * | -167.2 | 140.5 | 81.3 | 54.6 | 0 | 0 | 0 | 0 | 116.2 | P1307 A1308 N1309 | P1307-S1425 WeakPolarHBondContact CA-O 3.36Å; A1308-S1425 CarbonylContact O-C 3.42Å; A1308-S1425 WeakPolarHBondContact O-CA 3.27Å; N1309-S1425 WeakPolarHBondContact O-CA 3.34Å | |||
| 1426 | V | 23.8 | Very low | 24.4 | Very low | 81 Ų | 81 | 105.2 Ų | 105.2 | 49% | 0.491 | 66% | 0.66 | S | S | . | * | trans | -57.1 | 136.3 | 169.2 | 174.1 | 0 | 0 | 0 | 0 | 112.6 | P1307 A1308 | P1307-V1426 HydrophobicContact CB-CG2 4.42Å; A1308-V1426 PolarHBondContact O-N 3.24Å; A1308-V1426 VanDerWaalsContact O-N 3.11Å | ||
| 1427 | T | 24.9 | Very low | 24.5 | Very low | 123 Ų | 123 | 101.5 Ų | 101.5 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | trans | -165.2 | 124.6 | 141.2 | 7.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1428 | T | 23.6 | Very low | 24.6 | Very low | 120 Ų | 120 | 100.9 Ų | 100.9 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | trans | -79.2 | -175.8 | 146.7 | 50.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1429 | P | 27.1 | Very low | 24.7 | Very low | 108 Ų | 108 | 104 Ų | 104 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | cis | -132.9 | -169.3 | -3.8 | 28.8 | -4 | 0 | 0 | 0 | 113.9 | ||||
| 1430 | S | 24.1 | Very low | 24.8 | Very low | 93 Ų | 93 | 99.5 Ų | 99.5 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | trans | 44.6 | 107.8 | 141.1 | 63.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1431 | S | 25.8 | Very low | 25.1 | Very low | 113 Ų | 113 | 94.1 Ų | 94.1 | 79% | 0.79 | 60% | 0.597 | S | S | * | * | -158.7 | 131.7 | 90.8 | -6.7 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 1432 | L | 23.5 | Very low | 25.2 | Very low | 148 Ų | 148 | 96.1 Ų | 96.1 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | cis | 63.6 | 124.9 | 43.9 | -118.4 | 177.1 | 0 | 0 | 0 | 113 | ||||
| 1433 | T | 26.2 | Very low | 25.4 | Very low | 126 Ų | 126 | 97.7 Ų | 97.7 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | trans | 69.3 | 144 | 176.8 | 68.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1434 | S | 24.6 | Very low | 25.5 | Very low | 93 Ų | 93 | 98.4 Ų | 98.4 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | cis | -168.5 | 171.5 | -26.5 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1435 | T | 25.6 | Very low | 25.6 | Very low | 125 Ų | 125 | 99.8 Ų | 99.8 | 77% | 0.767 | 63% | 0.633 | S | S | * | * | trans | 53.5 | 106.7 | 144.7 | 49 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1436 | A | 25.9 | Very low | 25.8 | Very low | 83 Ų | 83 | 101.8 Ų | 101.8 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | 118.1 | 95.1 | 99.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1437 | T | 26.6 | Very low | 25.9 | Very low | 101 Ų | 101 | 103.5 Ų | 103.5 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | 57.6 | 135.1 | 116.4 | -22.1 | 0 | 0 | 0 | 0 | 123 | F1054 | F1054-T1437 HydrophobicContact CD2-CG2 4.1Å; F1054-T1437 HydrophobicContact CE2-CG2 3.98Å | |||
| 1438 | T | 25.8 | Very low | 26 | Very low | 86 Ų | 86 | 101.8 Ų | 101.8 | 53% | 0.528 | 65% | 0.651 | S | S | . | * | trans | 103.5 | 152.1 | 142 | -20.2 | 0 | 0 | 0 | 0 | 118.8 | T1052 | T1052-T1438 HydrophobicContact CG2-CG2 4.23Š| ||
| 1439 | I | 26.1 | Very low | 26.1 | Very low | 125 Ų | 125 | 106 Ų | 106 | 64% | 0.641 | 66% | 0.659 | S | S | * | * | trans | 111.3 | 142.5 | 178.5 | -63.9 | 174.5 | 0 | 0 | 0 | 113.2 | ||||
| 1440 | A | 25.6 | Very low | 26.1 | Very low | 48 Ų | 48 | 105.7 Ų | 105.7 | 40% | 0.397 | 66% | 0.66 | S | S | . | * | trans | -147.2 | -116.6 | -165 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1049 N1050 | V1049-A1440 CarbonylContact C-O 3.59Å; N1050-A1440 VanDerWaalsContact C-N 3.28Å; N1050-A1440 PolarHBondContact N-O 3.36Å; N1050-A1440 CarbonylContact O-C 3.56Å | ||
| 1441 | T | 26.9 | Very low | 26.3 | Very low | 44 Ų | 44 | 106.1 Ų | 106.1 | 27% | 0.27 | 66% | 0.663 | S | S | . | * | trans | 27.7 | 117.9 | -154.9 | 7.3 | 0 | 0 | 0 | 0 | 115.3 | V1049 N1050 | V1049-T1441 VanDerWaalsContact C-CB 3.44Å; V1049-T1441 PolarHBondContact N-O 2.94Å; V1049-T1441 VanDerWaalsContact O-CB 3.27Å; V1049-T1441 WeakPolarHBondContact O-CB 3.49Å; V1049-T1441 PolarHBondContact O-OG1 3.37Å; N1050-T1441 WeakPolarHBondContact CA-OG1 3.5Å; N1050-T1441 WeakPolarHBondContact CB-OG1 3.38Å; N1050-T1441 PolarHBondContact N-OG1 2.93Å; N1050-T1441 PolarHBondContact O-N 3.08Å; N1050-T1441 PolarHBondContact O-OG1 2.96Å | ||
| 1442 | T | 26.7 | Very low | 26.5 | Very low | 104 Ų | 104 | 105.1 Ų | 105.1 | 64% | 0.638 | 65% | 0.654 | S | S | * | * | cis | 66.8 | 154.6 | 30.5 | 88.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1443 | T | 28.3 | Very low | 26.6 | Very low | 95 Ų | 95 | 107.8 Ų | 107.8 | 58% | 0.583 | 66% | 0.66 | S | S | * | * | trans | 65.4 | 139.1 | 174.3 | 63.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1444 | S | 26.3 | Very low | 26.6 | Very low | 90 Ų | 90 | 104.6 Ų | 104.6 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | cis | -137.7 | 150.6 | 17.7 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1445 | V | 26.5 | Very low | 26.6 | Very low | 120 Ų | 120 | 105.5 Ų | 105.5 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | cis | 65.1 | 122.4 | 50 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1446 | T | 28.7 | Very low | 26.6 | Very low | 111 Ų | 111 | 104.8 Ų | 104.8 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | cis | -170.1 | 171.5 | -0.8 | 21.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1447 | S | 26.3 | Very low | 26.6 | Very low | 118 Ų | 118 | 106.8 Ų | 106.8 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | trans | -134.1 | 121.6 | 134 | 58.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1448 | S | 26 | Very low | 26.4 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | cis | 89.6 | 88.7 | 36.2 | -58.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1449 | F | 25.7 | Very low | 26.5 | Very low | 208 Ų | 208 | 111 Ų | 111 | 91% | 0.912 | 69% | 0.687 | S | S | * | * | trans | -174.6 | 146.5 | 151.9 | -89.8 | -73.1 | 0 | 0 | 0 | 107.3 | ||||
| 1450 | S | 28 | Very low | 26.5 | Very low | 102 Ų | 102 | 108.3 Ų | 108.3 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | cis | -162.9 | 155.6 | -36.2 | 49 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1451 | S | 26.7 | Very low | 26.4 | Very low | 103 Ų | 103 | 113.7 Ų | 113.7 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -64.1 | 177.6 | 156.4 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1452 | P | 31.5 | Very low | 26.3 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | cis | -144.2 | -171.8 | 17.6 | 29.1 | -1.7 | 0 | 0 | 0 | 116.4 | ||||
| 1453 | F | 25 | Very low | 26.2 | Very low | 204 Ų | 204 | 118.3 Ų | 118.3 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | trans | 63.3 | 163.3 | 168.5 | -54.2 | -66.6 | 0 | 0 | 0 | 116.4 | ||||
| 1454 | G | 25.9 | Very low | 26.3 | Very low | 58 Ų | 58 | 121.6 Ų | 121.6 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | cis | 146.9 | 109 | -14.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1455 | S | 25.1 | Very low | 26.4 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 65.4 | 155 | 164.5 | 76.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1456 | S | 24.5 | Very low | 26.3 | Very low | 110 Ų | 110 | 120.6 Ų | 120.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 72.9 | 155.4 | 157.7 | 91.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1457 | V | 25.9 | Very low | 26.1 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | cis | -157.1 | 176.4 | -18.6 | 117 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1458 | F | 23.9 | Very low | 26 | Very low | 197 Ų | 197 | 118.8 Ų | 118.8 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -34.3 | 156.4 | 167.9 | -71.5 | -112.3 | 0 | 0 | 0 | 117.3 | ||||
| 1459 | G | 26.4 | Very low | 25.9 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | trans | 113.7 | 118.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1460 | G | 25.8 | Very low | 25.8 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | cis | 104.4 | 109.9 | 13 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1461 | N | 24.2 | Very low | 25.7 | Very low | 160 Ų | 160 | 118.7 Ų | 118.7 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | trans | 61.3 | 116.2 | 171.4 | -53.9 | -18.8 | 0 | 0 | 0 | 117.4 | ||||
| 1462 | S | 24.4 | Very low | 25.6 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | 167.3 | 123 | 99.2 | 54.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1463 | V | 25.2 | Very low | 25.3 | Very low | 136 Ų | 136 | 120.5 Ų | 120.5 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | 102.5 | 117.6 | 83.8 | 163.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1464 | L | 30.8 | Very low | 25.3 | Very low | 164 Ų | 164 | 116.3 Ų | 116.3 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | trans | -61.4 | 147.1 | 162.1 | -91 | 66.5 | 0 | 0 | 0 | 110 | ||||
| 1465 | P | 27.5 | Very low | 25.3 | Very low | 123 Ų | 123 | 119 Ų | 119 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | -135.3 | -176.1 | 59.7 | 22.2 | 2.4 | 0 | 0 | 0 | 113.1 | |||||
| 1466 | G | 24.4 | Very low | 25.3 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | cis | 119.5 | 163.8 | 4.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1467 | Q | 24.9 | Very low | 25.4 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | trans | 73.5 | 107 | 163.9 | -63.8 | -84.3 | 15.3 | 0 | 0 | 120.7 | T1241 | T1241-Q1467 CarbonylContact O-C 3.19Š| ||
| 1468 | S | 23.6 | Very low | 25.3 | Very low | 34 Ų | 34 | 120.2 Ų | 120.2 | 24% | 0.238 | 71% | 0.71 | C | S | . | * | 103.8 | 152.2 | 110.9 | 80.2 | 0 | 0 | 0 | 0 | 123 | S1240 T1241 | S1240-S1468 VanDerWaalsContact O-CA 3.25Å; S1240-S1468 WeakPolarHBondContact O-CA 3.36Å; S1240-S1468 PolarHBondContact O-N 3.36Å; T1241-S1468 CarbonylContact C-O 3.57Å; T1241-S1468 VanDerWaalsContact C-O 3.3Å; T1241-S1468 WeakPolarHBondContact CA-O 3.37Å; T1241-S1468 WeakPolarHBondContact CB-O 3.47Å; T1241-S1468 VanDerWaalsContact N-C 3.32Å; T1241-S1468 PolarHBondContact N-O 2.95Å; T1241-S1468 PolarHBondContact O-N 2.97Å; T1241-S1468 PolarHBondContact OG1-O 3.29Å | |||
| 1469 | L | 23.5 | Very low | 25.3 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 50% | 0.503 | 71% | 0.708 | S | S | . | * | trans | 77.1 | 92.6 | 161.5 | -83.3 | 68.2 | 0 | 0 | 0 | 123.5 | T1241 | T1241-L1469 WeakPolarHBondContact OG1-CA 3.44Å; T1241-L1469 PolarHBondContact OG1-N 3.34Å; T1241-L1469 VanDerWaalsContact OG1-N 3.11Å; T1241-L1469 PolarHBondContact OG1-O 2.97Å | ||
| 1470 | F | 24.1 | Very low | 25.1 | Very low | 143 Ų | 143 | 118.7 Ų | 118.7 | 63% | 0.627 | 70% | 0.703 | S | S | * | * | trans | 74.8 | 159.6 | 131.7 | -57.3 | -34.8 | 0 | 0 | 0 | 120.8 | T1241 | T1241-F1470 PolarHBondContact OG1-N 2.96Š| ||
| 1471 | Q | 25.3 | Very low | 25 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | cis | -153.1 | 157 | -1 | -136.4 | 163.5 | -12.3 | 0 | 0 | 115.7 | ||||
| 1472 | N | 24.8 | Very low | 24.9 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | trans | 79.4 | 104.8 | 140.9 | -99.1 | 13.8 | 0 | 0 | 0 | 125.6 | ||||
| 1473 | T | 25.9 | Very low | 24.9 | Very low | 108 Ų | 108 | 120.9 Ų | 120.9 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | 93.1 | 121.3 | 120 | 30.4 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1474 | T | 25.5 | Very low | 24.9 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | 80.1 | 91.5 | 137.4 | 39.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1475 | T | 25.8 | Very low | 24.6 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | 79.8 | 131 | 111.1 | 51.5 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1476 | T | 25.7 | Very low | 24.5 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | trans | 85.3 | 113.1 | 135.5 | 45.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1477 | N | 25.5 | Very low | 24.5 | Very low | 145 Ų | 145 | 116.1 Ų | 116.1 | 78% | 0.775 | 70% | 0.704 | S | S | * | * | 66.2 | 143.9 | 129.3 | -52.2 | -7.9 | 0 | 0 | 0 | 119.1 | |||||
| 1478 | T | 25 | Very low | 24.6 | Very low | 122 Ų | 122 | 116.6 Ų | 116.6 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | cis | -148.9 | 130.1 | 18.6 | -45.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1479 | I | 22.3 | Very low | 24.6 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 82% | 0.821 | 74% | 0.741 | S | S | * | * | trans | 14.6 | 118.4 | 147.5 | -47.8 | 165.7 | 0 | 0 | 0 | 119.8 | ||||
| 1480 | A | 23.4 | Very low | 24.7 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | -165 | 117.2 | 122.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1481 | T | 23 | Very low | 24.7 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | trans | 0 | 124 | 171.1 | 43.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1482 | V | 23.3 | Very low | 24.6 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -120.1 | 174.6 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1483 | S | 23.6 | Very low | 24.6 | Very low | 94 Ų | 94 | 119.5 Ų | 119.5 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -93.9 | -171.9 | -159.8 | 58.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1484 | S | 24.6 | Very low | 24.6 | Very low | 98 Ų | 98 | 118.2 Ų | 118.2 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | 78 | 109.4 | 144 | 38.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1485 | S | 24.3 | Very low | 24.6 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | 28.6 | 121.3 | 131.7 | 59.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1486 | A | 25.8 | Very low | 24.6 | Very low | 104 Ų | 104 | 112.1 Ų | 112.1 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | 175.2 | 142.1 | 124.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1487 | G | 25.2 | Very low | 24.6 | Very low | 73 Ų | 73 | 110.1 Ų | 110.1 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | 62.2 | -175.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1488 | L | 26 | Very low | 24.7 | Very low | 167 Ų | 167 | 110.7 Ų | 110.7 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | cis | -156.1 | -173.7 | -31.2 | -147.5 | 110.1 | 0 | 0 | 0 | 109 | ||||
| 1489 | F | 23.7 | Very low | 24.7 | Very low | 203 Ų | 203 | 109.3 Ų | 109.3 | 89% | 0.89 | 69% | 0.688 | S | S | * | * | trans | -61.8 | 145 | 173.7 | -74.9 | -108.5 | 0 | 0 | 0 | 112.7 | ||||
| 1490 | G | 26 | Very low | 24.8 | Very low | 77 Ų | 77 | 106.9 Ų | 106.9 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | trans | -179.4 | 119.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1491 | T | 24.4 | Very low | 24.8 | Very low | 126 Ų | 126 | 106.5 Ų | 106.5 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | trans | -122.1 | 138.9 | -173.3 | -53.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1492 | L | 22.9 | Very low | 25.1 | Very low | 140 Ų | 140 | 105.4 Ų | 105.4 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | trans | 52.9 | 129.6 | 168.4 | -102.5 | 73.9 | 0 | 0 | 0 | 118.3 | ||||
| 1493 | A | 25.2 | Very low | 25.5 | Very low | 69 Ų | 69 | 103.4 Ų | 103.4 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | 165.7 | 119.3 | 99 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1494 | I | 26.2 | Very low | 25.7 | Very low | 81 Ų | 81 | 103.8 Ų | 103.8 | 42% | 0.415 | 66% | 0.656 | S | S | . | * | 65.3 | 98.7 | 128.3 | -56 | 169.6 | 0 | 0 | 0 | 119.1 | S1224 S1225 | S1224-I1494 VanDerWaalsContact C-CG2 3.47Å; S1224-I1494 WeakPolarHBondContact CA-O 3.4Å; S1224-I1494 PolarHBondContact N-O 3.18Å; S1225-I1494 VanDerWaalsContact O-CD1 3.24Å; S1225-I1494 WeakPolarHBondContact O-CD1 3.32Å | |||
| 1495 | S | 25.1 | Very low | 25.8 | Very low | 57 Ų | 57 | 101.3 Ų | 101.3 | 40% | 0.399 | 64% | 0.641 | S | S | . | * | trans | 75 | 148.4 | 136.4 | 92.3 | 0 | 0 | 0 | 0 | 120.4 | T1223 S1224 | T1223-S1495 VanDerWaalsContact C-OG 3.31Å; T1223-S1495 VanDerWaalsContact CA-O 3.3Å; T1223-S1495 WeakPolarHBondContact CA-O 3.41Å; T1223-S1495 VanDerWaalsContact CA-OG 3.28Å; T1223-S1495 WeakPolarHBondContact CA-OG 3.36Å; T1223-S1495 PolarHBondContact N-O 2.99Å; T1223-S1495 PolarHBondContact N-OG 3.48Å; S1224-S1495 PolarHBondContact N-OG 2.79Å | ||
| 1496 | G | 26.1 | Very low | 26 | Very low | 43 Ų | 43 | 99.6 Ų | 99.6 | 44% | 0.443 | 63% | 0.626 | S | S | . | * | cis | 139.5 | -154 | -13 | 0 | 0 | 0 | 0 | 0 | 115 | T1222 | T1222-G1496 WeakPolarHBondContact CA-O 3.32Å; T1222-G1496 VanDerWaalsContact CB-O 3.25Å; T1222-G1496 WeakPolarHBondContact CB-O 3.42Å; T1222-G1496 VanDerWaalsContact CG2-O 3.28Å; T1222-G1496 WeakPolarHBondContact CG2-O 3.3Å; T1222-G1496 PolarHBondContact OG1-O 3.06Å | ||
| 1497 | N | 25.9 | Very low | 26.1 | Very low | 67 Ų | 67 | 100 Ų | 100 | 36% | 0.358 | 61% | 0.61 | S | S | . | * | trans | 67.3 | 122.4 | 170.6 | -64.6 | -96.3 | 0 | 0 | 0 | 117.7 | N1220 T1221 | N1220-N1497 WeakPolarHBondContact CA-OD1 3.42Å; N1220-N1497 HydrophobicContact CB-CB 4.1Å; N1220-N1497 WeakPolarHBondContact CB-OD1 3.3Å; N1220-N1497 PolarHBondContact OD1-OD1 2.74Å; T1221-N1497 VanDerWaalsContact C-ND2 3.26Å; T1221-N1497 PolarHBondContact N-OD1 3.03Å; T1221-N1497 VanDerWaalsContact N-OD1 3.16Å; T1221-N1497 PolarHBondContact O-ND2 2.76Å | ||
| 1498 | K | 26.1 | Very low | 26.2 | Very low | 157 Ų | 157 | 99.7 Ų | 99.7 | 68% | 0.683 | 59% | 0.593 | S | S | * | * | 167.3 | 136.5 | 123.1 | -86.8 | -147 | 179.3 | -177.3 | 0 | 108.7 | |||||
| 1499 | L | 24.7 | Very low | 26.3 | Very low | 93 Ų | 93 | 96 Ų | 96 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | cis | -141.4 | 172.2 | -22.6 | -68.9 | -64.8 | 0 | 0 | 0 | 107.4 | N1220 | N1220-L1499 HydrophobicContact CB-CD1 3.49Å; N1220-L1499 VanDerWaalsContact CB-CD1 3.49Å; N1220-L1499 VanDerWaalsContact CG-CD1 3.42Å; N1220-L1499 WeakPolarHBondContact ND2-CD1 3.45Å | ||
| 1500 | F | 24.5 | Very low | 26.6 | Very low | 109 Ų | 109 | 88.9 Ų | 88.9 | 48% | 0.478 | 57% | 0.566 | S | S | . | * | trans | 11.9 | 137 | 153.7 | -44.4 | -46.5 | 0 | 0 | 0 | 120.9 | T1218 T1219 N1220 | T1218-F1500 HydrophobicContact CG2-CD1 3.62Å; T1218-F1500 HydrophobicContact CG2-CE1 3.19Å; T1218-F1500 HydrophobicContact CG2-CZ 3.83Å; T1219-F1500 HydrophobicContact CG2-CE1 4.46Å; T1219-F1500 HydrophobicContact CG2-CZ 4.06Å; N1220-F1500 WeakPolarHBondContact ND2-CD1 3.33Å; N1220-F1500 WeakPolarHBondContact ND2-CE1 3.46Å; N1220-F1500 WeakPolarHBondContact ND2-CZ 3.41Å | ||
| 1501 | G | 24.8 | Very low | 26.8 | Very low | 76 Ų | 76 | 93.6 Ų | 93.6 | 78% | 0.784 | 56% | 0.564 | S | S | * | * | cis | 95 | 123.8 | 3.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1502 | S | 28.3 | Very low | 27.1 | Very low | 122 Ų | 122 | 94.4 Ų | 94.4 | 85% | 0.853 | 56% | 0.563 | S | S | * | * | trans | -150 | 87.7 | 167.9 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1503 | Q | 31.3 | Very low | 27.3 | Very low | 102 Ų | 102 | 95.7 Ų | 95.7 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | trans | -67.9 | 167.9 | 160.1 | -158.2 | 174 | 14.6 | 0 | 0 | 109.5 | S1215 T1216 | S1215-Q1503 VanDerWaalsContact CA-NE2 3.3Å; S1215-Q1503 PolarHBondContact OG-NE2 3.46Å; T1216-Q1503 HydrophobicContact CG2-CB 4.37Å | ||
| 1504 | P | 29.3 | Very low | 27.6 | Very low | 102 Ų | 102 | 95.6 Ų | 95.6 | 66% | 0.662 | 57% | 0.569 | S | S | * | * | -154.1 | 166.6 | 103.8 | 38.8 | -21.7 | 0 | 0 | 0 | 117.1 | T1216 | T1216-P1504 HydrophobicContact CG2-CB 4.3Š| |||
| 1505 | A | 26.7 | Very low | 27.8 | Very low | 45 Ų | 45 | 97.1 Ų | 97.1 | 37% | 0.372 | 59% | 0.587 | S | S | . | * | trans | 64.1 | 161.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118 | S1215 T1216 | S1215-A1505 VanDerWaalsContact CB-N 3.27Å; S1215-A1505 PolarHBondContact OG-N 3.12Å; S1215-A1505 PolarHBondContact OG-O 2.85Å; T1216-A1505 PolarHBondContact OG1-N 3.25Å | ||
| 1506 | T | 28.5 | Very low | 28.2 | Very low | 78 Ų | 78 | 99.1 Ų | 99.1 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | cis | -143 | -171.7 | 2.8 | -19.2 | 0 | 0 | 0 | 0 | 111.6 | N1213 I1214 | N1213-T1506 CarbonylContact C-O 3.55Å; N1213-T1506 WeakPolarHBondContact CB-O 3.38Å; N1213-T1506 PolarHBondContact ND2-O 2.99Å; N1213-T1506 VanDerWaalsContact ND2-O 3.17Å; I1214-T1506 WeakPolarHBondContact CA-O 3.49Å; I1214-T1506 WeakPolarHBondContact CB-O 3.39Å; I1214-T1506 VanDerWaalsContact CG1-O 3.27Å; I1214-T1506 WeakPolarHBondContact CG1-O 3.4Å; I1214-T1506 PolarHBondContact N-O 3.26Å | ||
| 1507 | Q | 27.5 | Very low | 28.3 | Very low | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | -89.3 | 143.3 | -123.2 | -147.1 | 133.8 | 25.2 | 0 | 0 | 123.5 | Q1212 I1214 | Q1212-Q1507 PolarHBondContact NE2-O 3.5Å; I1214-Q1507 HydrophobicContact CD1-CG 4.13Å | |||
| 1508 | T | 26.2 | Very low | 28.4 | Very low | 66 Ų | 66 | 108.9 Ų | 108.9 | 41% | 0.405 | 63% | 0.632 | S | S | . | * | trans | 52.8 | 146.4 | 155.9 | 45.9 | 0 | 0 | 0 | 0 | 120 | Q1212 I1214 | Q1212-T1508 CarbonylContact C-O 3.54Å; I1214-T1508 VanDerWaalsContact CB-N 3.29Å | ||
| 1509 | S | 28.1 | Very low | 28.5 | Very low | 89 Ų | 89 | 105.7 Ų | 105.7 | 62% | 0.622 | 64% | 0.635 | S | S | * | * | cis | 68.3 | 148.1 | 44.2 | 98.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1510 | G | 30.5 | Very low | 28.9 | Very low | 54 Ų | 54 | 106.7 Ų | 106.7 | 56% | 0.557 | 65% | 0.647 | S | S | * | * | cis | 145.3 | 174.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1511 | F | 30.1 | Very low | 28.8 | Very low | 175 Ų | 175 | 107.5 Ų | 107.5 | 77% | 0.768 | 66% | 0.661 | S | S | * | * | trans | 67.8 | 173.4 | 174.6 | -51.6 | -77.5 | 0 | 0 | 0 | 114.2 | F1513 | F1511-F1513 HydrophobicContact CB-CD2 4.08Å; F1511-F1513 HydrophobicContact CB-CE2 3.86Å; F1511-F1513 HydrophobicContact CD1-CD2 4.22Å; F1511-F1513 AromaticContact CD1-CE2 3.76Å; F1511-F1513 HydrophobicContact CD1-CE2 3.76Å; F1511-F1513 HydrophobicContact CG-CD2 4.48Å; F1511-F1513 AromaticContact CG-CE2 3.93Å; F1511-F1513 HydrophobicContact CG-CE2 3.93Å | ||
| 1512 | L | 30.4 | Very low | 28.8 | Very low | 144 Ų | 144 | 108.6 Ų | 108.6 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | cis | -135.3 | 172.7 | 17.1 | -77.6 | 89.2 | 0 | 0 | 0 | 111 | ||||
| 1513 | F | 28.9 | Very low | 28.6 | Very low | 167 Ų | 167 | 108.1 Ų | 108.1 | 73% | 0.732 | 65% | 0.653 | S | S | * | * | cis | -168.8 | 172.6 | -24.4 | -103.7 | -164.1 | 0 | 0 | 0 | 105.7 | F1511 | F1511-F1513 HydrophobicContact CB-CD2 4.08Å; F1511-F1513 HydrophobicContact CB-CE2 3.86Å; F1511-F1513 HydrophobicContact CD1-CD2 4.22Å; F1511-F1513 AromaticContact CD1-CE2 3.76Å; F1511-F1513 HydrophobicContact CD1-CE2 3.76Å; F1511-F1513 HydrophobicContact CG-CD2 4.48Å; F1511-F1513 AromaticContact CG-CE2 3.93Å; F1511-F1513 HydrophobicContact CG-CE2 3.93Å | ||
| 1514 | G | 30.9 | Very low | 28.5 | Very low | 67 Ų | 67 | 107.2 Ų | 107.2 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | cis | 174.2 | -179.5 | -2.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1515 | S | 29.1 | Very low | 28.3 | Very low | 112 Ų | 112 | 105.4 Ų | 105.4 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | trans | -66.3 | 178.4 | 169.6 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1516 | P | 34.8 | Very low | 28.2 | Very low | 99 Ų | 99 | 108.1 Ų | 108.1 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | cis | -163 | -178 | 38.9 | 47.5 | -24.5 | 0 | 0 | 0 | 122.9 | ||||
| 1517 | F | 27.4 | Very low | 28 | Very low | 181 Ų | 181 | 110.8 Ų | 110.8 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | trans | 80.2 | 128.9 | 143.7 | -77 | -52.1 | 0 | 0 | 0 | 124.6 | ||||
| 1518 | N | 27.6 | Very low | 27.9 | Very low | 134 Ų | 134 | 111.6 Ų | 111.6 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | 54.6 | 107.6 | 141.1 | -62.9 | -11.5 | 0 | 0 | 0 | 122 | ||||
| 1519 | A | 28.2 | Very low | 27.8 | Very low | 90 Ų | 90 | 117.4 Ų | 117.4 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | 40.5 | 158.3 | 94 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 1520 | P | 33.1 | Very low | 27.6 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | cis | -140.2 | -164 | 5.6 | 29.5 | -2.8 | 0 | 0 | 0 | 115.5 | ||||
| 1521 | V | 24.1 | Very low | 27.3 | Very low | 125 Ų | 125 | 124 Ų | 124 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | trans | 66.7 | 137.7 | 154.3 | -111 | 0 | 0 | 0 | 0 | 125 | ||||
| 1522 | S | 24 | Very low | 27.2 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 93.2 | 147.7 | 132.6 | 71.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1523 | S | 24.9 | Very low | 26.9 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 23.3 | 115.2 | 160.6 | 50.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1524 | G | 27.5 | Very low | 26.8 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | 99.1 | 154.2 | 59.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1525 | G | 24.9 | Very low | 26.5 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | cis | 159 | 146.6 | -1.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1526 | S | 25.2 | Very low | 26.6 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 65.3 | 166.7 | 175.3 | 76 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1527 | N | 25.4 | Very low | 26.1 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 73.4 | 138.5 | 152.8 | -65.7 | -12.7 | 0 | 0 | 0 | 118.6 | ||||
| 1528 | L | 25.2 | Very low | 26 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | cis | -148.4 | 178.2 | -10.6 | -94.4 | 153.6 | 0 | 0 | 0 | 108 | ||||
| 1529 | F | 23.3 | Very low | 25.9 | Very low | 187 Ų | 187 | 117.4 Ų | 117.4 | 82% | 0.82 | 74% | 0.738 | S | S | * | * | trans | -21.1 | 147.8 | 151.2 | -55.7 | -107.2 | 0 | 0 | 0 | 113.7 | ||||
| 1530 | Q | 24.8 | Very low | 25.8 | Very low | 176 Ų | 176 | 119 Ų | 119 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | -167.2 | 145.4 | 73.7 | 178.9 | 166.9 | -7.7 | 0 | 0 | 115.2 | |||||
| 1531 | V | 24.1 | Very low | 25.5 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | -66 | 137.9 | 171.6 | 172.8 | 0 | 0 | 0 | 0 | 112.5 | T1533 | V1531-T1533 HydrophobicContact CG1-CG2 4.09Š| ||
| 1532 | N | 26.8 | Very low | 25.6 | Very low | 136 Ų | 136 | 117.8 Ų | 117.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -170.8 | 131.3 | 138.1 | -87.1 | -27 | 0 | 0 | 0 | 107 | ||||
| 1533 | T | 24.2 | Very low | 25.9 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | cis | 67.1 | 79.9 | 34.1 | 73.2 | 0 | 0 | 0 | 0 | 115.9 | V1531 | V1531-T1533 HydrophobicContact CG1-CG2 4.09Š| ||
| 1534 | S | 27.8 | Very low | 26.1 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -157.7 | 104.9 | 153.9 | 48 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1535 | N | 25.2 | Very low | 26.1 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -75.2 | -179.7 | 144.6 | -139.2 | 6.2 | 0 | 0 | 0 | 107.2 | ||||
| 1536 | P | 30.6 | Very low | 26.2 | Very low | 89 Ų | 89 | 125.7 Ų | 125.7 | 58% | 0.578 | 73% | 0.731 | S | S | * | * | cis | -141.2 | -150.5 | -2.9 | 40 | -17.1 | 0 | 0 | 0 | 113.5 | ||||
| 1537 | T | 23.9 | Very low | 26.3 | Very low | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | 68.5 | 121.9 | 155.3 | 42 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1538 | A | 25.9 | Very low | 26.4 | Very low | 84 Ų | 84 | 122.5 Ų | 122.5 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | 76.4 | 133.7 | 64.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1539 | T | 25 | Very low | 26.5 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | -170.8 | 114.4 | 87.8 | -66.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1540 | V | 26.4 | Very low | 26.7 | Very low | 124 Ų | 124 | 119.3 Ų | 119.3 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | 54.3 | 120 | 100.8 | -177.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1541 | S | 26.5 | Very low | 26.8 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -175.6 | 107.8 | 141.4 | -80.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1542 | S | 26.5 | Very low | 26.9 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | 76.8 | 141.6 | 86.7 | 77.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 1543 | S | 29.3 | Very low | 27.2 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | cis | -167.6 | 140.9 | 29.1 | 51.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1544 | T | 29.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | 64.8 | 160.5 | 134.4 | 64 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1545 | L | 27.6 | Very low | 27.6 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | cis | -158.1 | 157.9 | 6 | -149.1 | 53.4 | 0 | 0 | 0 | 113.1 | ||||
| 1546 | F | 26.7 | Very low | 27.8 | Very low | 194 Ų | 194 | 115.6 Ų | 115.6 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | trans | 52.4 | 145 | 162.6 | -62.7 | -48.6 | 0 | 0 | 0 | 121.8 | ||||
| 1547 | G | 27.1 | Very low | 27.8 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | cis | 158.6 | 152.3 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1548 | A | 28.2 | Very low | 28 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | trans | 63 | 162 | 170 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1549 | S | 27.5 | Very low | 28.6 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | cis | -176 | 156.2 | -11.3 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1550 | L | 27.3 | Very low | 29 | Very low | 149 Ų | 149 | 118.2 Ų | 118.2 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | cis | -163.8 | -147.1 | -8.3 | -110.1 | 178.1 | 0 | 0 | 0 | 110.5 | ||||
| 1551 | F | 26.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 119 Ų | 119 | 77% | 0.772 | 74% | 0.738 | S | S | * | * | trans | -41.3 | 163.9 | 173.5 | -54.9 | -72.6 | 0 | 0 | 0 | 117.9 | ||||
| 1552 | N | 27.9 | Very low | 29.7 | Very low | 143 Ų | 143 | 120.2 Ų | 120.2 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | cis | -164.1 | 174.8 | 26.1 | -144.8 | -3.7 | 0 | 0 | 0 | 114.6 | ||||
| 1553 | T | 31.5 | Very low | 30 | Very low | 90 Ų | 90 | 122 Ų | 122 | 55% | 0.552 | 74% | 0.737 | S | S | * | * | trans | -88.6 | 170 | 172 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | I1066 | I1066-T1553 HydrophobicContact CD1-CG2 4.25Š| ||
| 1554 | P | 33.8 | Very low | 30.1 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | -152.1 | -138.9 | 67.8 | 42.5 | -17.8 | 0 | 0 | 0 | 116.2 | |||||
| 1555 | S | 27.9 | Very low | 30.1 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | -155.8 | 173 | -120.4 | 57.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 1556 | V | 29.3 | Very low | 30.1 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 61.9 | 127.4 | 161.1 | -125.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1557 | N | 30.9 | Very low | 30.1 | Very low | 163 Ų | 163 | 121.6 Ų | 121.6 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | 176.5 | 169.6 | 110.4 | -90.9 | -33.9 | 0 | 0 | 0 | 115 | |||||
| 1558 | S | 28.4 | Very low | 30 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -146.1 | -159 | -171.1 | -150.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1559 | P | 36.7 | Very low | 29.9 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | cis | -140.5 | -168.7 | -13.9 | 42.3 | -22.7 | 0 | 0 | 0 | 115.8 | ||||
| 1560 | G | 35 | Very low | 29.9 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 128.7 | 154.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1561 | N | 35.3 | Very low | 30.1 | Very low | 141 Ų | 141 | 123 Ų | 123 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | cis | -168.1 | 138.5 | -13.1 | -156.2 | 20.2 | 0 | 0 | 0 | 114.1 | ||||
| 1562 | N | 31.8 | Very low | 30.1 | Very low | 132 Ų | 132 | 119 Ų | 119 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 58.7 | 159.7 | 156 | -65.9 | -14.7 | 0 | 0 | 0 | 121.9 | ||||
| 1563 | N | 31.8 | Very low | 30.2 | Very low | 144 Ų | 144 | 121.3 Ų | 121.3 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | -150.8 | -175.7 | 4.5 | -150.8 | -13.8 | 0 | 0 | 0 | 113.2 | ||||
| 1564 | T | 31.7 | Very low | 30.1 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -161.8 | 144.7 | 178.6 | -66 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1565 | T | 30 | Very low | 29.9 | Very low | 139 Ų | 139 | 122.5 Ų | 122.5 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -173.5 | 169.4 | 158.3 | 9.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1566 | T | 28.1 | Very low | 29.9 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -157.7 | -166.6 | -169.7 | 51.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1567 | V | 26 | Very low | 30 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 101.5 | 141.1 | 152.1 | -148.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1568 | S | 25.6 | Very low | 29.8 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | 79.9 | 158.6 | 147.3 | -93.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1569 | S | 25.2 | Very low | 29.7 | Very low | 93 Ų | 93 | 118.6 Ų | 118.6 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | -177.9 | 144.8 | -44.6 | 50 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1570 | V | 27 | Very low | 29.2 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | 66.4 | 160.5 | 152 | 169.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1571 | P | 31.6 | Very low | 28.6 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | cis | -123.5 | 169.4 | -8.6 | 31.9 | -12.2 | 0 | 0 | 0 | 117.7 | ||||
| 1572 | A | 27.5 | Very low | 28 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | 41 | 121.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1573 | Q | 30.3 | Very low | 27.8 | Very low | 191 Ų | 191 | 125.3 Ų | 125.3 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | -157.7 | 171 | 96.9 | -110.9 | -176.1 | 8.2 | 0 | 0 | 113.6 | |||||
| 1574 | T | 29 | Very low | 27.8 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -56 | 157.3 | -177.3 | 41.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1575 | T | 29.2 | Very low | 27.6 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 61% | 0.607 | 74% | 0.738 | S | S | * | * | S | Bend | cis | -152.4 | 155.8 | 37.8 | -41.2 | 0 | 0 | 0 | 0 | 113.6 | S1577 | T1575-S1577 PolarHBondContact O-N 3.24Š|
| 1576 | S | 28.8 | Very low | 27.3 | Very low | 67 Ų | 67 | 121.3 Ų | 121.3 | 47% | 0.469 | 74% | 0.737 | S | S | . | * | S | Bend | trans | 44.2 | 63.1 | 167.3 | 59.9 | 0 | 0 | 0 | 0 | 115.5 | Q1011 | Q1011-S1576 PolarHBondContact NE2-OG 2.73Å; Q1011-S1576 VanDerWaalsContact NE2-OG 3.09Å |
| 1577 | S | 29.3 | Very low | 27.2 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | 66.9 | 96.5 | 83.5 | 78.7 | 0 | 0 | 0 | 0 | 113.2 | T1575 | T1575-S1577 PolarHBondContact O-N 3.24Š| |||
| 1578 | S | 27.9 | Very low | 27 | Very low | 81 Ų | 81 | 117.9 Ų | 117.9 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | 74.2 | 109.2 | 66.5 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1579 | L | 26.3 | Very low | 26.9 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | 64.7 | 89.9 | 91.7 | -63.9 | 160.6 | 0 | 0 | 0 | 113.7 | |||||
| 1580 | F | 25.1 | Very low | 26.8 | Very low | 200 Ų | 200 | 123.6 Ų | 123.6 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -148.3 | 154.3 | 147.2 | -74.6 | -73.7 | 0 | 0 | 0 | 108.7 | ||||
| 1581 | S | 23.3 | Very low | 26.6 | Very low | 82 Ų | 82 | 121.6 Ų | 121.6 | 57% | 0.573 | 72% | 0.722 | S | S | * | * | cis | 176.1 | 105.2 | -30.2 | 159 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1582 | F | 23 | Very low | 26.4 | Very low | 199 Ų | 199 | 121.5 Ų | 121.5 | 87% | 0.873 | 72% | 0.724 | S | S | * | * | trans | 58.7 | 179.5 | 151.1 | -70.8 | -85.8 | 0 | 0 | 0 | 120.4 | ||||
| 1583 | V | 26.6 | Very low | 26.3 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 79% | 0.788 | 73% | 0.726 | S | S | * | * | trans | 82.4 | 118.4 | 162.3 | -165.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 1584 | P | 33.4 | Very low | 26.1 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -91.2 | 158.4 | 170.4 | 37.5 | -33.9 | 0 | 0 | 0 | 112.1 | ||||
| 1585 | G | 25.8 | Very low | 25.9 | Very low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | trans | 148.3 | 103.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1586 | T | 24.8 | Very low | 25.7 | Very low | 135 Ų | 135 | 121 Ų | 121 | 83% | 0.828 | 73% | 0.732 | S | S | * | * | trans | 53.3 | 161.8 | 136.4 | 53.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1587 | S | 24.8 | Very low | 25.7 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | 59.7 | 82.1 | 153.3 | 47.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1588 | S | 23.2 | Very low | 25.5 | Very low | 88 Ų | 88 | 122 Ų | 122 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | 61.9 | 131.3 | 104.6 | 70.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 1589 | L | 23.8 | Very low | 25.5 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | trans | 71.6 | 163.2 | 135.1 | -68.8 | 167.6 | 0 | 0 | 0 | 119.5 | ||||
| 1590 | F | 23.1 | Very low | 25.6 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | trans | 72.6 | 147.5 | 168.6 | -44.7 | -68.4 | 0 | 0 | 0 | 115.6 | ||||
| 1591 | S | 22.1 | Very low | 25.7 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | cis | -145.9 | 149.4 | 2.6 | -151.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1592 | S | 27.9 | Very low | 25.8 | Very low | 111 Ų | 111 | 122 Ų | 122 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -55.1 | 138.5 | 146.3 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1593 | A | 25.6 | Very low | 26 | Very low | 98 Ų | 98 | 120.8 Ų | 120.8 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -165 | 147.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1594 | S | 25.7 | Very low | 26 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | cis | -139.3 | -176.7 | -2.1 | 66.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1595 | I | 23.2 | Very low | 25.9 | Very low | 144 Ų | 144 | 118 Ų | 118 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | cis | -139.7 | 124.8 | 37.1 | -59.8 | 165.7 | 0 | 0 | 0 | 111 | ||||
| 1596 | T | 26.2 | Very low | 26.1 | Very low | 142 Ų | 142 | 118.3 Ų | 118.3 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | trans | -147.9 | 116.4 | 133 | 15 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1597 | S | 27.7 | Very low | 26.2 | Very low | 95 Ų | 95 | 118.5 Ų | 118.5 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | trans | -73 | 168.5 | 151.5 | 61.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1598 | S | 26.9 | Very low | 26.2 | Very low | 91 Ų | 91 | 117 Ų | 117 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -160 | 176 | 28.1 | -38.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1599 | Q | 27.2 | Very low | 26.1 | Very low | 179 Ų | 179 | 119.6 Ų | 119.6 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | 69.2 | 144.8 | 159.9 | -69.6 | 178 | -15.3 | 0 | 0 | 115.4 | ||||
| 1600 | V | 28.3 | Very low | 26.1 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | cis | -132.9 | 138.8 | 6.1 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1601 | N | 26.9 | Very low | 26.2 | Very low | 140 Ų | 140 | 117.7 Ų | 117.7 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 5.7 | 153.7 | 139.6 | -48.9 | -7.5 | 0 | 0 | 0 | 119.5 | ||||
| 1602 | S | 25.6 | Very low | 26.4 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | cis | 175.8 | 169.5 | -8.1 | 50 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1603 | M | 26.8 | Very low | 26.3 | Very low | 175 Ų | 175 | 116.4 Ų | 116.4 | 86% | 0.862 | 75% | 0.752 | S | S | * | * | trans | 68.6 | 150.2 | 164.3 | -58.1 | 143.8 | 63.2 | 0 | 0 | 114 | ||||
| 1604 | G | 27.5 | Very low | 26.3 | Very low | 65 Ų | 65 | 117.9 Ų | 117.9 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | cis | 90.3 | 153.9 | 11.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1605 | P | 30.6 | Very low | 26.3 | Very low | 130 Ų | 130 | 118 Ų | 118 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | cis | -112.7 | -147.6 | -6.5 | 42.3 | -28.5 | 0 | 0 | 0 | 110.4 | ||||
| 1606 | G | 30.6 | Very low | 26.4 | Very low | 70 Ų | 70 | 116.5 Ų | 116.5 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -93.1 | 147.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1607 | T | 26.9 | Very low | 26.4 | Very low | 139 Ų | 139 | 116.1 Ų | 116.1 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -135.8 | 153.9 | 161.1 | 42.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1608 | G | 23.4 | Very low | 26.2 | Very low | 64 Ų | 64 | 115.2 Ų | 115.2 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | 72.7 | 130.7 | 69.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1609 | L | 22.8 | Very low | 26.1 | Very low | 144 Ų | 144 | 116.3 Ų | 116.3 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | cis | -167.4 | 150.1 | 9.8 | -150.4 | 67 | 0 | 0 | 0 | 109.1 | ||||
| 1610 | F | 23.7 | Very low | 26 | Very low | 185 Ų | 185 | 112.1 Ų | 112.1 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | 63.6 | 124 | 174.5 | -62.3 | -68.2 | 0 | 0 | 0 | 116.3 | ||||
| 1611 | A | 24.9 | Very low | 25.8 | Very low | 93 Ų | 93 | 111 Ų | 111 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | 70.5 | 141.9 | 78 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1612 | A | 26.2 | Very low | 25.7 | Very low | 97 Ų | 97 | 109 Ų | 109 | 80% | 0.802 | 69% | 0.688 | S | S | * | * | cis | -154.4 | 161.9 | 6.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1613 | A | 25.7 | Very low | 25.6 | Very low | 81 Ų | 81 | 109.4 Ų | 109.4 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | cis | -173.6 | -165.7 | -18.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1614 | V | 25.7 | Very low | 25.3 | Very low | 130 Ų | 130 | 107.7 Ų | 107.7 | 79% | 0.788 | 69% | 0.685 | S | S | * | * | trans | 44.4 | 119.8 | 131.1 | 163.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1615 | T | 25.9 | Very low | 25.1 | Very low | 111 Ų | 111 | 109.7 Ų | 109.7 | 68% | 0.681 | 69% | 0.685 | S | S | * | * | cis | -168.4 | 160.9 | 14.3 | -118.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1616 | V | 25.4 | Very low | 24.7 | Very low | 112 Ų | 112 | 110 Ų | 110 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | trans | -12.5 | 153.1 | 144.6 | -124 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1617 | N | 24.7 | Very low | 24.5 | Very low | 135 Ų | 135 | 110.1 Ų | 110.1 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | cis | -172 | -179.1 | 38.7 | -154.4 | -4.6 | 0 | 0 | 0 | 112 | ||||
| 1618 | S | 24.5 | Very low | 24.4 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 52% | 0.524 | 69% | 0.687 | S | S | . | * | trans | 26.4 | 144.3 | 133.1 | 79.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1619 | Q | 25.3 | Very low | 24.5 | Very low | 115 Ų | 115 | 108 Ų | 108 | 54% | 0.537 | 69% | 0.692 | S | S | . | * | cis | 175.9 | -166.4 | 27.1 | -138.1 | 174.2 | 27 | 0 | 0 | 112.3 | ||||
| 1620 | Q | 24.6 | Very low | 24.7 | Very low | 90 Ų | 90 | 106.4 Ų | 106.4 | 42% | 0.421 | 70% | 0.699 | S | S | . | * | trans | 56.5 | 118.4 | 145.5 | -116.3 | 58.4 | -9.7 | 0 | 0 | 122.7 | G1263 A1264 | G1263-Q1620 CarbonylContact C-O 3.33Å; G1263-Q1620 WeakPolarHBondContact CA-O 3.43Å; A1264-Q1620 PolarHBondContact N-O 3.32Å | ||
| 1621 | I | 24.1 | Very low | 24.8 | Very low | 95 Ų | 95 | 101.1 Ų | 101.1 | 49% | 0.487 | 70% | 0.697 | S | S | . | * | 68.3 | 110.9 | 123.4 | -74.3 | -175.2 | 0 | 0 | 0 | 121.9 | A1264 P1265 | A1264-I1621 VanDerWaalsContact C-N 3.26Å; A1264-I1621 CarbonylContact O-C 3.47Å; A1264-I1621 WeakPolarHBondContact O-CA 3.47Å; A1264-I1621 PolarHBondContact O-N 3.06Å; P1265-I1621 VanDerWaalsContact CD-N 3.25Å; P1265-I1621 HydrophobicContact CG-CG1 4.11Å | |||
| 1622 | T | 24.1 | Very low | 25 | Very low | 98 Ų | 98 | 103.1 Ų | 103.1 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | trans | 56.9 | -175.6 | 139.7 | 72 | 0 | 0 | 0 | 0 | 115.9 | A1264 | A1264-T1622 PolarHBondContact O-N 3.18Š| ||
| 1623 | S | 23.3 | Very low | 25.1 | Very low | 94 Ų | 94 | 108.1 Ų | 108.1 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | cis | -143 | 146.6 | 5.8 | -34 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1624 | N | 22.2 | Very low | 25.3 | Very low | 139 Ų | 139 | 107.7 Ų | 107.7 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | 51.8 | 116.3 | 77.1 | -141.7 | 36.3 | 0 | 0 | 0 | 115.1 | |||||
| 1625 | T | 22.4 | Very low | 25.4 | Very low | 106 Ų | 106 | 106.5 Ų | 106.5 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | 56.3 | 121.4 | 143.9 | 52.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1626 | T | 23.3 | Very low | 25.7 | Very low | 136 Ų | 136 | 107.1 Ų | 107.1 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | 76.1 | 113.7 | 124.1 | -54.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1627 | G | 25.1 | Very low | 25.9 | Very low | 74 Ų | 74 | 108.4 Ų | 108.4 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | 97.4 | 153.8 | 124.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1628 | G | 25.4 | Very low | 26.2 | Very low | 85 Ų | 85 | 105.3 Ų | 105.3 | 88% | 0.876 | 71% | 0.712 | S | S | * | * | trans | 84.1 | 126.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1629 | G | 25 | Very low | 26.4 | Very low | 74 Ų | 74 | 106.5 Ų | 106.5 | 76% | 0.763 | 72% | 0.721 | S | S | * | * | cis | 111 | 132.6 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1630 | A | 26.6 | Very low | 26.5 | Very low | 109 Ų | 109 | 107.9 Ų | 107.9 | 90% | 0.901 | 73% | 0.732 | S | S | * | * | trans | 59.7 | 132.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1631 | G | 26.7 | Very low | 26.8 | Very low | 74 Ų | 74 | 109.1 Ų | 109.1 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | cis | -173.5 | -150.3 | -0.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1632 | L | 28.2 | Very low | 27.1 | Very low | 136 Ų | 136 | 114 Ų | 114 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | cis | -162.9 | 133 | -6.1 | -156 | 69.5 | 0 | 0 | 0 | 106.9 | ||||
| 1633 | F | 28.3 | Very low | 27.3 | Very low | 201 Ų | 201 | 113.6 Ų | 113.6 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | 65 | 145.9 | -177.1 | -48.4 | -73.7 | 0 | 0 | 0 | 116.4 | ||||
| 1634 | G | 30.8 | Very low | 27.6 | Very low | 72 Ų | 72 | 114.5 Ų | 114.5 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | cis | -162.5 | 148.3 | -5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1635 | S | 27.2 | Very low | 27.9 | Very low | 106 Ų | 106 | 115 Ų | 115 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -79.8 | 168 | 173.5 | -46.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1636 | P | 32.8 | Very low | 28.2 | Very low | 124 Ų | 124 | 114.4 Ų | 114.4 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | -117.2 | 142.2 | 83.2 | -4.2 | 25.4 | 0 | 0 | 0 | 112 | |||||
| 1637 | V | 29.9 | Very low | 28.3 | Very low | 139 Ų | 139 | 114.7 Ų | 114.7 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | 68.2 | 108 | 59.3 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1638 | G | 30.3 | Very low | 28.4 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -175 | 26.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1639 | S | 28.6 | Very low | 28.4 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 43.7 | 119.9 | 159.1 | 60.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1640 | N | 28.6 | Very low | 28.5 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | 93.2 | 114.6 | 129.9 | -65.5 | -8.1 | 0 | 0 | 0 | 124.3 | |||||
| 1641 | T | 29.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | 87.7 | 106.5 | 128.8 | 49.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1642 | K | 31.1 | Very low | 28.5 | Very low | 197 Ų | 197 | 125.7 Ų | 125.7 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | 68.8 | 143.6 | 131.2 | -67.6 | -176.4 | 179.3 | -179.6 | 0 | 120 | ||||
| 1643 | S | 27.2 | Very low | 28.5 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | cis | -172.5 | 141.8 | -11.2 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1644 | T | 29.8 | Very low | 28.5 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | 31.5 | 151.3 | 135.5 | 65.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1645 | N | 28.7 | Very low | 28.3 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | cis | -171.4 | 148.6 | -9.3 | -103.9 | -4.5 | 0 | 0 | 0 | 112.1 | ||||
| 1646 | S | 28.8 | Very low | 28.3 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | 43.8 | 113.5 | 128.5 | -164 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1647 | L | 26.4 | Very low | 28.1 | Very low | 142 Ų | 142 | 123 Ų | 123 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | 53.7 | 136.3 | 123.7 | -55.3 | 170.7 | 0 | 0 | 0 | 124.3 | |||||
| 1648 | F | 25.6 | Very low | 28 | Very low | 196 Ų | 196 | 124.2 Ų | 124.2 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | 26.1 | 131.8 | 149.6 | -59.9 | -68.7 | 0 | 0 | 0 | 122.5 | ||||
| 1649 | S | 25.4 | Very low | 28.2 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | -176.1 | -174.9 | 108.9 | -158.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1650 | V | 27.3 | Very low | 28.4 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -119.5 | 145.2 | -174.6 | -174 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1651 | S | 27.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 156.9 | 123.3 | 134.8 | -71.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1652 | S | 26.9 | Very low | 28.7 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 34.2 | 129.1 | 137.1 | 66.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1653 | L | 27 | Very low | 28.7 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | 77.1 | 104.8 | 126.2 | -69.9 | 173 | 0 | 0 | 0 | 123.3 | |||||
| 1654 | S | 28.3 | Very low | 29.1 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | 108.9 | 139.6 | 100.5 | -155.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1655 | L | 28.2 | Very low | 29 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | 83.2 | 118.8 | 146.3 | -124.8 | 77.2 | 0 | 0 | 0 | 124.4 | ||||
| 1656 | G | 26.9 | Very low | 29 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 112.7 | 135.3 | 133.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1657 | G | 28.4 | Very low | 28.9 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 179 | -21 | 168.9 | 0 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 1658 | N | 28.3 | Very low | 29.2 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 64 | 163.2 | 169.4 | -71.9 | -14.3 | 0 | 0 | 0 | 123.3 | ||||
| 1659 | S | 33.2 | Very low | 29.2 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 75.3 | 117 | 171.3 | -10.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1660 | V | 33.4 | Very low | 29.5 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | cis | 76.5 | 125.9 | 19.4 | -165.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1661 | P | 33.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | cis | -146.9 | 170.9 | 45.6 | 43.3 | -23.9 | 0 | 0 | 0 | 121.6 | ||||
| 1662 | Q | 31.6 | Very low | 30.1 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | 82.1 | 168.1 | 141.9 | -83.7 | 167.4 | -2.2 | 0 | 0 | 123.8 | ||||
| 1663 | N | 31.2 | Very low | 30.1 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -153.1 | 159.2 | -150.6 | -174.9 | 10.6 | 0 | 0 | 0 | 108.9 | ||||
| 1664 | P | 34.4 | Very low | 30.1 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -152.8 | 168.5 | 110.1 | 39.4 | -21.8 | 0 | 0 | 0 | 118.1 | |||||
| 1665 | T | 27.5 | Very low | 30.2 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -71.8 | 159.1 | 171.1 | 53.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1666 | Q | 29.3 | Very low | 30.3 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | 178.1 | 143.3 | 116.7 | -98.7 | -176.9 | 16.2 | 0 | 0 | 117.5 | |||||
| 1667 | N | 26.9 | Very low | 30.4 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | trans | 37.1 | 124.9 | 138 | -55 | -19.4 | 0 | 0 | 0 | 124.7 | ||||
| 1668 | A | 32 | Very low | 30.3 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | 173.1 | 108.9 | 121.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1669 | F | 25.2 | Very low | 30.4 | Very low | 212 Ų | 212 | 132.5 Ų | 132.5 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | 58.9 | 111.4 | 81.4 | -87.7 | -86.8 | 0 | 0 | 0 | 117.2 | |||||
| 1670 | G | 32.9 | Very low | 30.2 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 178.5 | 99.2 | 171 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1671 | K | 33.3 | Very low | 29.9 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -96.2 | 163.8 | 165.3 | -79.3 | 179.8 | 178 | 176.5 | 0 | 108.7 | F1673 | K1671-F1673 HydrophobicContact CD-CD2 4.48Š| ||
| 1672 | P | 33.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | cis | -130.7 | 168.5 | 46.9 | 20.2 | 6.5 | 0 | 0 | 0 | 114.4 | ||||
| 1673 | F | 26.3 | Very low | 29.5 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | cis | 74.1 | 123.2 | 49.2 | -96.3 | -83.2 | 0 | 0 | 0 | 115.9 | K1671 | K1671-F1673 HydrophobicContact CD-CD2 4.48Š| ||
| 1674 | G | 28.2 | Very low | 29.3 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 128 | 131.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1675 | N | 30.9 | Very low | 28.8 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | cis | -153.1 | 166.5 | -12.2 | -145.3 | 6.9 | 0 | 0 | 0 | 113.8 | ||||
| 1676 | T | 29.5 | Very low | 28.7 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 63% | 0.632 | 75% | 0.746 | S | S | * | * | trans | -54.8 | 151 | 179.1 | 51.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 1677 | A | 29.2 | Very low | 28.5 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | 175 | 147 | 121.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1678 | F | 26.8 | Very low | 28.6 | Very low | 173 Ų | 173 | 128 Ų | 128 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | cis | -164.8 | 155 | -28.2 | -130.1 | -76 | 0 | 0 | 0 | 107.8 | ||||
| 1679 | S | 29.7 | Very low | 28.8 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 68.8 | 148.1 | 163.5 | 85 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1680 | N | 28.9 | Very low | 29.1 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | cis | -156.1 | 156.5 | -17.8 | -119.5 | -4.1 | 0 | 0 | 0 | 112 | ||||
| 1681 | Q | 27.7 | Very low | 28.8 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | 42.3 | 138.5 | 139.1 | -67 | 168.5 | -41.5 | 0 | 0 | 120.4 | ||||
| 1682 | A | 29.9 | Very low | 28.6 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 65% | 0.653 | 73% | 0.73 | S | S | * | * | cis | -162.3 | 164.6 | -4.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1683 | N | 27.3 | Very low | 28.4 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | 33.7 | 131.6 | 78.6 | -91.7 | -0.4 | 0 | 0 | 0 | 113.4 | |||||
| 1684 | S | 25.6 | Very low | 28.5 | Very low | 85 Ų | 85 | 119.2 Ų | 119.2 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | cis | -170.7 | -153.4 | 11.9 | 43.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1685 | T | 25.1 | Very low | 28.6 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 63% | 0.632 | 72% | 0.72 | S | S | * | * | trans | 59.5 | 103 | 140.5 | 43.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1686 | L | 25.3 | Very low | 28.5 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 70% | 0.696 | 71% | 0.71 | S | S | * | * | 92.2 | 136 | 85.3 | -113.5 | 60.3 | 0 | 0 | 0 | 111.5 | |||||
| 1687 | F | 24.9 | Very low | 28.5 | Very low | 200 Ų | 200 | 122.2 Ų | 122.2 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | trans | 58.6 | 130.2 | 166.6 | -52.4 | -59 | 0 | 0 | 0 | 117.7 | ||||
| 1688 | G | 28.2 | Very low | 28.7 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | cis | -179 | -174.2 | -2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1689 | S | 35.6 | Very low | 28.9 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | trans | -59.3 | 164.4 | 172.1 | -42.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1690 | P | 32.2 | Very low | 28.8 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | -122.2 | 140.9 | 87.2 | -2.1 | 22.4 | 0 | 0 | 0 | 114.3 | |||||
| 1691 | N | 27.4 | Very low | 28.8 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | 29.1 | 133.8 | 117.5 | -47 | -10.6 | 0 | 0 | 0 | 116.7 | |||||
| 1692 | S | 29.2 | Very low | 28.9 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | cis | -169.6 | 156.3 | 47.4 | 45.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1693 | N | 28.3 | Very low | 28.8 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | 51.4 | 134.3 | 134.2 | -60.2 | 4.1 | 0 | 0 | 0 | 119.7 | ||||
| 1694 | T | 28.7 | Very low | 29.1 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | cis | -166.5 | 150.1 | 5.8 | 6.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1695 | Q | 29.7 | Very low | 29 | Very low | 159 Ų | 159 | 117.6 Ų | 117.6 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | trans | 57.5 | 140 | 141.6 | -64.7 | 162.8 | -17.1 | 0 | 0 | 119.3 | ||||
| 1696 | N | 29.9 | Very low | 29 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | cis | -161.5 | 153.9 | -1.9 | -118.7 | -1.2 | 0 | 0 | 0 | 112.4 | ||||
| 1697 | N | 30.1 | Very low | 29.2 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | 71.3 | 124.1 | 138.9 | -68.4 | -3 | 0 | 0 | 0 | 123.3 | ||||
| 1698 | I | 31.4 | Very low | 29.3 | Very low | 147 Ų | 147 | 117 Ų | 117 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | 70.8 | 134.6 | 122.3 | -63.7 | 172.7 | 0 | 0 | 0 | 116.8 | |||||
| 1699 | V | 31 | Very low | 29.7 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | cis | -168.7 | 154.5 | -8.3 | 119.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1700 | S | 28.8 | Very low | 29.3 | Very low | 110 Ų | 110 | 121 Ų | 121 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | cis | -146.5 | -171.1 | 2.8 | -119.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1701 | G | 28 | Very low | 29.1 | Very low | 65 Ų | 65 | 120.5 Ų | 120.5 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | cis | 126.4 | 147.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1702 | A | 30.1 | Very low | 29.6 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | trans | 70.7 | 84.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1703 | S | 28.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | -67.7 | -178.8 | 128.2 | -27.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1704 | P | 33.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | cis | -139.3 | -161.7 | -3 | 35 | -11.3 | 0 | 0 | 0 | 114 | ||||
| 1705 | S | 24.4 | Very low | 30 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | trans | 80.4 | 132.5 | 133.5 | 65 | 0 | 0 | 0 | 0 | 124 | ||||
| 1706 | L | 25.3 | Very low | 30.1 | Very low | 161 Ų | 161 | 116.3 Ų | 116.3 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | 85.6 | 151.7 | 143.7 | -102.2 | 74.5 | 0 | 0 | 0 | 121.8 | ||||
| 1707 | S | 28 | Very low | 30.1 | Very low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | 58.6 | 87.6 | 165.2 | 35.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1708 | N | 28.2 | Very low | 30 | Very low | 154 Ų | 154 | 115.9 Ų | 115.9 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | 6.2 | 151.9 | 103 | -125 | 22.2 | 0 | 0 | 0 | 117.2 | |||||
| 1709 | P | 35 | Very low | 29.8 | Very low | 90 Ų | 90 | 116.6 Ų | 116.6 | 58% | 0.584 | 73% | 0.729 | S | S | * | * | cis | -145.3 | -160.7 | 20.6 | 43.1 | -22 | 0 | 0 | 0 | 116.2 | ||||
| 1710 | Q | 27.8 | Very low | 29.7 | Very low | 167 Ų | 167 | 113.1 Ų | 113.1 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | trans | 88.4 | 115.5 | 150.8 | -85.8 | 175.5 | -103.4 | 0 | 0 | 121.7 | ||||
| 1711 | S | 29.2 | Very low | 29.5 | Very low | 106 Ų | 106 | 112.7 Ų | 112.7 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | 54.4 | 126.4 | 139.6 | 54.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1712 | G | 36 | Very low | 29.4 | Very low | 64 Ų | 64 | 115 Ų | 115 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | cis | -158.1 | 164.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1713 | L | 31.7 | Very low | 29.2 | Very low | 128 Ų | 128 | 117 Ų | 117 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | cis | 60.3 | 129.3 | 35.9 | -53.9 | 170.8 | 0 | 0 | 0 | 111.3 | ||||
| 1714 | F | 32 | Very low | 29 | Very low | 183 Ų | 183 | 121.1 Ų | 121.1 | 80% | 0.803 | 72% | 0.722 | S | S | * | * | cis | -127.1 | 135.2 | 19.2 | -78.8 | -86.6 | 0 | 0 | 0 | 110.6 | ||||
| 1715 | S | 31.5 | Very low | 28.6 | Very low | 67 Ų | 67 | 119.7 Ų | 119.7 | 47% | 0.469 | 73% | 0.726 | S | S | . | * | 83.6 | 153.3 | 64.1 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1716 | S | 33 | Very low | 28.6 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | cis | -129.2 | 149.2 | 23.6 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1717 | S | 29.9 | Very low | 28.8 | Very low | 90 Ų | 90 | 118.3 Ų | 118.3 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | cis | 68.7 | 157.5 | 36.9 | -39.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1718 | I | 28.1 | Very low | 28.9 | Very low | 135 Ų | 135 | 119.3 Ų | 119.3 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | cis | -168.1 | 149.2 | 36.5 | -143.8 | 147.9 | 0 | 0 | 0 | 110.8 | ||||
| 1719 | L | 27 | Very low | 28.8 | Very low | 162 Ų | 162 | 116.3 Ų | 116.3 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | trans | 60.3 | 161.7 | 163.8 | -56.1 | 169.6 | 0 | 0 | 0 | 118.1 | ||||
| 1720 | G | 27.1 | Very low | 28.3 | Very low | 58 Ų | 58 | 118.4 Ų | 118.4 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | cis | -162.5 | 147.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1721 | S | 25.1 | Very low | 28.2 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 66.9 | 135.9 | 63.8 | 74 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1722 | S | 25.9 | Very low | 28 | Very low | 114 Ų | 114 | 116.3 Ų | 116.3 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | 68.2 | 130 | -173.2 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1723 | L | 25.7 | Very low | 27.5 | Very low | 147 Ų | 147 | 121.3 Ų | 121.3 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | cis | 77.5 | 122.1 | 16.2 | -146.5 | 160.1 | 0 | 0 | 0 | 113.7 | ||||
| 1724 | F | 24.7 | Very low | 27.1 | Very low | 200 Ų | 200 | 120.5 Ų | 120.5 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | 65.7 | 134.5 | -152.2 | -65.6 | -88.6 | 0 | 0 | 0 | 113 | ||||
| 1725 | G | 24.9 | Very low | 26.8 | Very low | 78 Ų | 78 | 115.7 Ų | 115.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -122.9 | -167.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1726 | S | 24.5 | Very low | 26.5 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -139.3 | 132.7 | 163.1 | -169 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1727 | P | 29.2 | Very low | 26.1 | Very low | 108 Ų | 108 | 115.5 Ų | 115.5 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -91.2 | -177.5 | 175 | 39.7 | -36.8 | 0 | 0 | 0 | 111.7 | ||||
| 1728 | T | 31.1 | Very low | 26 | Very low | 129 Ų | 129 | 115 Ų | 115 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 32 | 115.3 | 145.4 | -50.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1729 | A | 24.5 | Very low | 26 | Very low | 91 Ų | 91 | 112.1 Ų | 112.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -165.7 | 90.8 | 137.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1730 | V | 24.5 | Very low | 26.1 | Very low | 135 Ų | 135 | 111 Ų | 111 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | S | Bend | -145.8 | 94.5 | 127.2 | 179.1 | 0 | 0 | 0 | 0 | 104.3 | |||
| 1731 | T | 25.7 | Very low | 26.4 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | 66.5 | 116.4 | 99.5 | -49 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1732 | T | 25.5 | Very low | 26.5 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | cis | -143.7 | 160 | 35.1 | -20.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1733 | M | 25 | Very low | 26.8 | Very low | 168 Ų | 168 | 119.5 Ų | 119.5 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -17.4 | 156.7 | 138.8 | -57.4 | 158.6 | -176.8 | 0 | 0 | 115.7 | ||||
| 1734 | S | 24.1 | Very low | 26.9 | Very low | 112 Ų | 112 | 118.5 Ų | 118.5 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | cis | -170.4 | 176 | -5.4 | 43.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1735 | G | 24.8 | Very low | 27.2 | Very low | 81 Ų | 81 | 112.6 Ų | 112.6 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -69.3 | 152 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1736 | G | 25.3 | Very low | 27.4 | Very low | 84 Ų | 84 | 114.6 Ų | 114.6 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | 123.1 | 139.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1737 | G | 26.2 | Very low | 27.5 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 113.3 | 97.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1738 | G | 26.8 | Very low | 27.4 | Very low | 79 Ų | 79 | 114.7 Ų | 114.7 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | -94.1 | 140.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1739 | G | 27.4 | Very low | 27.2 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | 86 | -160.8 | 109.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1740 | L | 29.2 | Very low | 27.4 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 69.7 | 127.7 | -173.3 | -49.7 | 177.3 | 0 | 0 | 0 | 114.3 | ||||
| 1741 | F | 34.6 | Very low | 27.5 | Very low | 195 Ų | 195 | 116.1 Ų | 116.1 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | cis | -123.2 | 130.3 | 5.1 | -74.4 | -83.4 | 0 | 0 | 0 | 113.1 | ||||
| 1742 | S | 26.8 | Very low | 27.8 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -110.5 | 149.6 | 175.7 | 54 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1743 | N | 31.4 | Very low | 27.9 | Very low | 159 Ų | 159 | 115.5 Ų | 115.5 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -144.9 | 97.3 | 151 | -126.8 | 7.6 | 0 | 0 | 0 | 106.5 | ||||
| 1744 | V | 29.1 | Very low | 28.1 | Very low | 126 Ų | 126 | 114.4 Ų | 114.4 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | 72 | 122 | 75 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1745 | G | 31.1 | Very low | 28.5 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 169.2 | 58.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1746 | T | 28.2 | Very low | 28.8 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 154.6 | 168.9 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1747 | N | 26.3 | Very low | 29 | Very low | 152 Ų | 152 | 118.3 Ų | 118.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | -179.6 | 169.5 | 63.6 | -127.8 | -27 | 0 | 0 | 0 | 114.2 | |||||
| 1748 | A | 28 | Very low | 29.1 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | 69.1 | 116.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1749 | N | 26.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 125 Ų | 125 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | 81.5 | 113.7 | 126.7 | -74.8 | -20.7 | 0 | 0 | 0 | 124.8 | |||||
| 1750 | Q | 27.8 | Very low | 29.7 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | 66.6 | 143.3 | 127.2 | -57.9 | 180 | 28.5 | 0 | 0 | 120.6 | |||||
| 1751 | G | 28.4 | Very low | 29.7 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 170.9 | 9.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1752 | T | 30.1 | Very low | 29.5 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | 39.1 | 113.8 | 161.1 | 53.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1753 | G | 28.5 | Very low | 29.8 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 118.4 | 145.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1754 | L | 30.1 | Very low | 29.7 | Very low | 144 Ų | 144 | 123 Ų | 123 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | cis | -160.8 | 126.7 | -13.6 | -158.2 | 72.8 | 0 | 0 | 0 | 111.5 | ||||
| 1755 | F | 32.3 | Very low | 29.7 | Very low | 195 Ų | 195 | 120.6 Ų | 120.6 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | 58.5 | 142.5 | 175.8 | -52.5 | -56.6 | 0 | 0 | 0 | 117.8 | ||||
| 1756 | G | 30.1 | Very low | 29.5 | Very low | 64 Ų | 64 | 120.9 Ų | 120.9 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | cis | 164.3 | 126.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1757 | S | 29.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | 73.3 | 128.4 | 80.1 | 171.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1758 | Q | 28 | Very low | 29.3 | Very low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | cis | -161.6 | 175.9 | 13.4 | -117.9 | 162.9 | 30 | 0 | 0 | 113 | ||||
| 1759 | T | 31.8 | Very low | 29.1 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -82.4 | -166.8 | 167.9 | 48 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1760 | P | 34.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | cis | -143.4 | -156.8 | 7.1 | 45 | -22.2 | 0 | 0 | 0 | 117.3 | ||||
| 1761 | T | 29.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -73.3 | 156.2 | -172.1 | 52.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1762 | T | 31.4 | Very low | 29.4 | Very low | 148 Ų | 148 | 123.5 Ų | 123.5 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | 167.5 | 160.6 | 120.1 | 34.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1763 | G | 33.1 | Very low | 29.3 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 131.4 | 119 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1764 | V | 28.3 | Very low | 29.2 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 96% | 0.964 | 81% | 0.805 | S | S | * | * | trans | -95.7 | 142.3 | -172.6 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1765 | G | 29.2 | Very low | 29.2 | Very low | 75 Ų | 75 | 124.9 Ų | 124.9 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 140.5 | 141.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1766 | G | 26.8 | Very low | 29 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 108.2 | 137.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1767 | F | 24.7 | Very low | 28.9 | Very low | 228 Ų | 228 | 122.9 Ų | 122.9 | 100% | 1 | 81% | 0.809 | S | S | * | * | trans | -70.5 | 144 | 174.5 | -80.6 | -110.4 | 0 | 0 | 0 | 113 | ||||
| 1768 | G | 25.3 | Very low | 28.9 | Very low | 67 Ų | 67 | 127.8 Ų | 127.8 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | 126 | 129.5 | 142.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1769 | S | 25.2 | Very low | 29 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | 70 | 154 | 156.3 | -54.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1770 | S | 33.5 | Very low | 28.7 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -75.5 | 158.4 | -178.9 | -39.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1771 | P | 27.6 | Very low | 28.7 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -116.6 | 128.1 | 147.9 | 34.3 | -26.2 | 0 | 0 | 0 | 112.8 | ||||
| 1772 | T | 27.7 | Very low | 28.6 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -77 | 137.3 | 172.7 | -52.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1773 | F | 27.3 | Very low | 28.5 | Very low | 219 Ų | 219 | 125.8 Ų | 125.8 | 96% | 0.961 | 81% | 0.808 | S | S | * | * | trans | -82.5 | 121 | 160.6 | -103.9 | -86.2 | 0 | 0 | 0 | 109.9 | ||||
| 1774 | G | 27 | Very low | 28.3 | Very low | 59 Ų | 59 | 128.5 Ų | 128.5 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | trans | -160.2 | 143.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1775 | S | 29.7 | Very low | 28.3 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 58.7 | 122 | 159.7 | -57.4 | 0 | 0 | 0 | 0 | 119.8 | A1777 | S1775-A1777 PolarHBondContact O-N 3.49Š| ||
| 1776 | P | 28.3 | Very low | 28.1 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | trans | -70.4 | 116.6 | 147.1 | 30.7 | -29.5 | 0 | 0 | 0 | 108.5 | ||||
| 1777 | A | 27.6 | Very low | 28.1 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -84.3 | 140.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1775 | S1775-A1777 PolarHBondContact O-N 3.49Š| ||
| 1778 | F | 29.3 | Very low | 28.2 | Very low | 205 Ų | 205 | 125.6 Ų | 125.6 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | trans | -128.3 | 102.2 | 164.4 | -101 | -76.4 | 0 | 0 | 0 | 110.9 | ||||
| 1779 | N | 30.6 | Very low | 28.4 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -101.9 | 148.6 | 166.1 | -103.1 | -42.7 | 0 | 0 | 0 | 110.2 | ||||
| 1780 | K | 26.6 | Very low | 28.5 | Very low | 194 Ų | 194 | 130.6 Ų | 130.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 171.4 | 173.7 | -68.4 | 175.6 | 177.9 | 173.3 | 0 | 110.8 | ||||
| 1781 | P | 34.7 | Very low | 28.2 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | cis | -141 | -171.1 | -28.3 | 28.3 | -4.6 | 0 | 0 | 0 | 114.7 | ||||
| 1782 | V | 26.8 | Very low | 28.6 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | 95.9 | 122.1 | 152.1 | -165.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1783 | G | 28 | Very low | 28.5 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 94 | 154.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1784 | P | 30.3 | Very low | 28.5 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | cis | -109.7 | -150.2 | 6.1 | 42 | -32 | 0 | 0 | 0 | 114 | ||||
| 1785 | G | 27.4 | Very low | 28.3 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 161.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1786 | L | 24.6 | Very low | 28.1 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | 90.2 | 137 | 45 | -158 | 89.4 | 0 | 0 | 0 | 111.7 | ||||
| 1787 | F | 26.7 | Very low | 27.9 | Very low | 195 Ų | 195 | 128 Ų | 128 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | 65.8 | 138.5 | -160.3 | -50.7 | -81.5 | 0 | 0 | 0 | 112.6 | ||||
| 1788 | G | 27.8 | Very low | 27.9 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | 168.1 | 160.8 | -3.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1789 | L | 29.6 | Very low | 27.7 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | cis | -157.2 | 153.8 | -3.8 | -96.4 | 160 | 0 | 0 | 0 | 108.9 | ||||
| 1790 | N | 26.6 | Very low | 27.4 | Very low | 146 Ų | 146 | 120 Ų | 120 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | 49.1 | 96.1 | 149.8 | -57.5 | -9.5 | 0 | 0 | 0 | 122.3 | ||||
| 1791 | G | 28.2 | Very low | 27.5 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | 78.1 | -168 | 104.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1792 | P | 35.9 | Very low | 27.3 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | -142.3 | 173.5 | -84.8 | 39.7 | -24.2 | 0 | 0 | 0 | 116.6 | |||||
| 1793 | A | 25 | Very low | 27.2 | Very low | 100 Ų | 100 | 120.4 Ų | 120.4 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 63.7 | -175.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1794 | A | 26.7 | Very low | 27.2 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | -158 | 170.6 | -63.4 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 1795 | F | 24.4 | Very low | 27.2 | Very low | 203 Ų | 203 | 123.5 Ų | 123.5 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | 44.8 | 99.1 | 165.1 | -79.3 | -83.6 | 0 | 0 | 0 | 120.2 | ||||
| 1796 | N | 24.9 | Very low | 27.2 | Very low | 152 Ų | 152 | 124 Ų | 124 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -157.1 | 136.7 | 137.1 | -101.8 | -26.4 | 0 | 0 | 0 | 106.6 | ||||
| 1797 | S | 23.8 | Very low | 27.7 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | cis | 79.2 | 152.5 | 48.3 | 104.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1798 | S | 26.9 | Very low | 27.7 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -56.1 | 141.1 | -163.1 | 49.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1799 | G | 26.1 | Very low | 27.7 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 176.1 | 155.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1800 | G | 25 | Very low | 27.9 | Very low | 80 Ų | 80 | 119.6 Ų | 119.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | 103.3 | 57.1 | 128.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | F1802 | G1800-F1802 PolarHBondContact O-N 3.38Š| |||
| 1801 | L | 28 | Very low | 28.4 | Very low | 156 Ų | 156 | 116.2 Ų | 116.2 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -55.3 | 123.7 | 147.5 | -179.2 | 80.4 | 0 | 0 | 0 | 110.4 | ||||
| 1802 | F | 30.4 | Very low | 28.8 | Very low | 203 Ų | 203 | 118.3 Ų | 118.3 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | 62.2 | 139.2 | 157.6 | -81.5 | -122.8 | 0 | 0 | 0 | 121.6 | G1800 | G1800-F1802 PolarHBondContact O-N 3.38Š| ||
| 1803 | G | 25.5 | Very low | 28.3 | Very low | 72 Ų | 72 | 118.9 Ų | 118.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 148.3 | 149.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1804 | S | 28.5 | Very low | 28.5 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | cis | -174 | 127.7 | -18.9 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1805 | T | 29.5 | Very low | 28.6 | Very low | 155 Ų | 155 | 123.5 Ų | 123.5 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | trans | -165.6 | 126.8 | 159.4 | 15.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1806 | G | 27.3 | Very low | 28.9 | Very low | 77 Ų | 77 | 117.5 Ų | 117.5 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 105.8 | 118 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1807 | P | 34.6 | Very low | 29.1 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -100.4 | 160.9 | 180 | 37.7 | -33.5 | 0 | 0 | 0 | 114 | ||||
| 1808 | V | 27.7 | Very low | 29.4 | Very low | 129 Ų | 129 | 117.1 Ų | 117.1 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | 174.2 | 121.4 | 120.2 | 153.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1809 | V | 28 | Very low | 29.5 | Very low | 143 Ų | 143 | 114.7 Ų | 114.7 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | 19 | 126.1 | 147.9 | -168.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1810 | G | 34.1 | Very low | 29.6 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 167.9 | 86.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1811 | G | 35.1 | Very low | 29.7 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -83.6 | -164.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1812 | P | 37.1 | Very low | 29.6 | Very low | 118 Ų | 118 | 120 Ų | 120 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | cis | -130.4 | -167 | 10.7 | 47.3 | -31.8 | 0 | 0 | 0 | 111.5 | ||||
| 1813 | L | 26.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 115 Ų | 115 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | cis | -157.7 | 163.3 | -25.2 | -129.3 | 51 | 0 | 0 | 0 | 108.4 | ||||
| 1814 | F | 29 | Very low | 29.8 | Very low | 197 Ų | 197 | 117.6 Ų | 117.6 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 35.8 | 122 | 158.9 | -63.9 | -61.3 | 0 | 0 | 0 | 122.7 | ||||
| 1815 | G | 28.8 | Very low | 29.6 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | 118.5 | 146.8 | 108.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1816 | G | 29.1 | Very low | 29.6 | Very low | 77 Ų | 77 | 118 Ų | 118 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 123.1 | 75.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1817 | D | 29.4 | Very low | 29.4 | Very low | 171 Ų | 171 | 117.7 Ų | 117.7 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -56.9 | 164.2 | 176.3 | -60.8 | -91.3 | 0 | 0 | 0 | 116.7 | ||||
| 1818 | G | 29.7 | Very low | 28.8 | Very low | 72 Ų | 72 | 115.5 Ų | 115.5 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | 141.8 | 135.8 | 120.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1819 | G | 29.1 | Very low | 28.6 | Very low | 68 Ų | 68 | 111.9 Ų | 111.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 70.7 | 78.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1820 | I | 28.2 | Very low | 28.6 | Very low | 158 Ų | 158 | 107.9 Ų | 107.9 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | 55.4 | 97.5 | 52.8 | -46.8 | 165.1 | 0 | 0 | 0 | 112.3 | |||||
| 1821 | S | 27.6 | Very low | 28.1 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | 171.1 | 107.3 | 112.2 | 42.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1822 | N | 25.7 | Very low | 27.7 | Very low | 163 Ų | 163 | 113.7 Ų | 113.7 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | 59.6 | 162.8 | 131 | -84.6 | 7.5 | 0 | 0 | 0 | 122.9 | ||||
| 1823 | P | 29.5 | Very low | 27.2 | Very low | 98 Ų | 98 | 114.1 Ų | 114.1 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -126.9 | -173.3 | -143.3 | 44.5 | -30.8 | 0 | 0 | 0 | 115.3 | ||||
| 1824 | T | 30.7 | Very low | 27.1 | Very low | 127 Ų | 127 | 116.2 Ų | 116.2 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -1.8 | 134.6 | 157 | 55.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1825 | P | 25.1 | Very low | 26.9 | Very low | 124 Ų | 124 | 110.4 Ų | 110.4 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | -122.9 | 157.3 | 112.8 | 36.2 | -34.6 | 0 | 0 | 0 | 115 | |||||
| 1826 | V | 28.1 | Very low | 26.8 | Very low | 152 Ų | 152 | 112.1 Ų | 112.1 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -46.5 | 136.4 | 163.5 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1827 | G | 23.1 | Very low | 26.6 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -179.8 | 135.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1828 | G | 23.9 | Very low | 26.4 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -87.3 | -169.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1829 | G | 23.5 | Very low | 26.2 | Very low | 52 Ų | 52 | 117.5 Ų | 117.5 | 54% | 0.536 | 76% | 0.761 | S | S | . | * | trans | 136.4 | 111 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1830 | L | 26.4 | Very low | 26 | Very low | 59 Ų | 59 | 120.2 Ų | 120.2 | 31% | 0.309 | 76% | 0.76 | S | S | . | * | S | Bend | trans | -84 | 146.2 | 161.5 | -70.3 | 138.7 | 0 | 0 | 0 | 109.3 | L702 Q705 | L702-L1830 HydrophobicContact CD2-CD1 3.6Å; L702-L1830 HydrophobicContact CD2-CD2 4Å; L702-L1830 HydrophobicContact CD2-CG 4.47Å; Q705-L1830 HydrophobicContact CB-CD1 3.89Å |
| 1831 | F | 25.3 | Very low | 25.9 | Very low | 166 Ų | 166 | 120.4 Ų | 120.4 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | trans | 63.2 | 89.2 | 175.4 | -58.4 | -86.2 | 0 | 0 | 0 | 117.1 | ||||
| 1832 | A | 24.7 | Very low | 25.7 | Very low | 107 Ų | 107 | 119.9 Ų | 119.9 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | trans | -148.2 | 76 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1833 | S | 26.7 | Very low | 25.7 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -156.5 | 61.1 | 156.5 | -152.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1834 | L | 26 | Very low | 25.4 | Very low | 182 Ų | 182 | 120.9 Ų | 120.9 | 95% | 0.953 | 77% | 0.765 | S | S | * | * | trans | -134.2 | 112.2 | 168.9 | -162.4 | 80.8 | 0 | 0 | 0 | 106.8 | ||||
| 1835 | G | 25.2 | Very low | 25.1 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 162.2 | 77.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1836 | S | 25.6 | Very low | 25.1 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -172.9 | 142.3 | 135.6 | 32 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1837 | K | 26 | Very low | 25.1 | Very low | 206 Ų | 206 | 118.7 Ų | 118.7 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | 59.1 | 91.8 | 177.3 | -65.2 | -171.4 | 175.4 | -176.9 | 0 | 116.5 | ||||
| 1838 | S | 25.5 | Very low | 25.3 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -55.5 | 154.5 | 140.6 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1839 | D | 25.4 | Very low | 25.5 | Very low | 130 Ų | 130 | 126 Ų | 126 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | 171.6 | 134.6 | 113.1 | -89.9 | 3.6 | 0 | 0 | 0 | 113.5 | |||||
| 1840 | N | 24.4 | Very low | 25.6 | Very low | 126 Ų | 126 | 129 Ų | 129 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | trans | 63.9 | 122.8 | 142.6 | -69.5 | -45.1 | 0 | 0 | 0 | 123.1 | ||||
| 1841 | L | 24.9 | Very low | 26.5 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | 68.6 | 170.3 | 134.2 | -60.6 | 173.1 | 0 | 0 | 0 | 116.9 | ||||
| 1842 | S | 23.8 | Very low | 26.8 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | cis | -173 | 173.9 | -33.2 | 177 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1843 | F | 25.3 | Very low | 26.9 | Very low | 211 Ų | 211 | 128.9 Ų | 128.9 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -57.7 | 137.2 | 164.8 | -73.3 | -102.2 | 0 | 0 | 0 | 111.8 | ||||
| 1844 | G | 23.6 | Very low | 26.8 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 126.6 | 103.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1845 | S | 25.2 | Very low | 26.8 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 70.8 | 145.7 | 126.9 | -141.2 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1846 | L | 24.9 | Very low | 26.8 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | 72.8 | 105.8 | 151.1 | -112.4 | 77 | 0 | 0 | 0 | 122.8 | ||||
| 1847 | A | 27.9 | Very low | 26.7 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | 25.7 | 138.1 | 130.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1848 | Q | 26.6 | Very low | 26.7 | Very low | 173 Ų | 173 | 122.9 Ų | 122.9 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | -179.7 | 156 | 112.5 | -100.7 | -179 | 23 | 0 | 0 | 115.4 | |||||
| 1849 | N | 29.6 | Very low | 27.1 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | trans | 77 | 81.1 | 154.2 | -56.7 | -27.8 | 0 | 0 | 0 | 122.7 | ||||
| 1850 | S | 25.7 | Very low | 27.2 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 51.2 | 146.2 | 116.5 | -54.2 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1851 | P | 43.9 | Very low | 27.3 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -97.7 | -174.2 | -176.4 | 42.5 | -39.3 | 0 | 0 | 0 | 114.5 | ||||
| 1852 | P | 31.4 | Very low | 27.2 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | -153.5 | 150.6 | 102.3 | 38.9 | -21.8 | 0 | 0 | 0 | 118.4 | |||||
| 1853 | G | 27.1 | Very low | 27.3 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 73 | 147.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1854 | G | 25.9 | Very low | 27.5 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | cis | -152.7 | 165.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1855 | N | 25.5 | Very low | 27.9 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | 39 | 120.7 | 84.4 | -74.5 | -10.7 | 0 | 0 | 0 | 111.9 | |||||
| 1856 | I | 25.4 | Very low | 27.9 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | cis | -155 | 122.4 | 38.9 | -70.8 | -173.7 | 0 | 0 | 0 | 107.9 | ||||
| 1857 | S | 23.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | 74.7 | 158.6 | 95.2 | -152.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1858 | A | 24.6 | Very low | 27.9 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | 65.4 | 117.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1859 | S | 34 | Very low | 27.9 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -49.3 | 151.4 | 148.9 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1860 | P | 28.8 | Very low | 27.7 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | -148.8 | -178.6 | 92.2 | 40.3 | -24.2 | 0 | 0 | 0 | 116 | |||||
| 1861 | F | 24.9 | Very low | 27.7 | Very low | 215 Ų | 215 | 130.1 Ų | 130.1 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | trans | -20 | 129.2 | 157.9 | -65.2 | -105.3 | 0 | 0 | 0 | 116.4 | ||||
| 1862 | G | 23.9 | Very low | 27.2 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | -172.3 | 99.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1863 | T | 25 | Very low | 27 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | 27.6 | 121.8 | 143.7 | 53.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1864 | S | 31 | Very low | 27 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -48.4 | 167.4 | 144.9 | -31.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1865 | P | 31.7 | Very low | 27 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -149.4 | -175 | 30.6 | 40.3 | -17.1 | 0 | 0 | 0 | 118 | ||||
| 1866 | S | 25.1 | Very low | 27.1 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | 31.3 | 128.6 | 146.1 | 62.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1867 | F | 25 | Very low | 27.3 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | -160.8 | 147.3 | 83.8 | -119 | -117.9 | 0 | 0 | 0 | 113 | |||||
| 1868 | T | 26.7 | Very low | 27.5 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 61% | 0.613 | 79% | 0.787 | S | S | * | * | 16.1 | 139.1 | 125.3 | -21.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1869 | Q | 27.1 | Very low | 27.7 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | 178.9 | 149.1 | 62.8 | -172.6 | 151.2 | -90.3 | 0 | 0 | 115.4 | |||||
| 1870 | R | 26.4 | Very low | 27.2 | Very low | 209 Ų | 209 | 142.8 Ų | 142.8 | 79% | 0.789 | 79% | 0.793 | S | S | * | * | trans | 56.2 | 104.9 | 157.2 | -74.9 | 167.5 | -155.4 | -166.7 | 5.5 | 121 | ||||
| 1871 | R | 24.9 | Very low | 27.1 | Very low | 237 Ų | 237 | 145.5 Ų | 145.5 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | 38.6 | 105.2 | 106 | -175.7 | -165.4 | -89.4 | -176.3 | -7.4 | 117.1 | |||||
| 1872 | A | 33.4 | Very low | 27.3 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 100% | 1.256 | 79% | 0.786 | S | S | * | * | -109.4 | 0 | 116.8 | 0 | 0 | 0 | 0 | 0 | 107 |
Retrieved 1,872 of 1,872 residues in 1914.1 ms
(Link to these results)