| 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 | 28.5 | Very low | 29.1 | Very low | 251 Ų | 251 | 164.7 Ų | 164.7 | 100% | 1.236 | 78% | 0.782 | S | S | * | * | 0 | 174 | 0 | -66.6 | -178.7 | 82.6 | 0 | 0 | 109.3 | |||||
| 2 | S | 25 | Very low | 29.4 | Very low | 108 Ų | 108 | 164.5 Ų | 164.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -105.4 | 135.6 | -153 | -160 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3 | V | 27.5 | Very low | 29.7 | Very low | 120 Ų | 120 | 157.1 Ų | 157.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 56.5 | 118.3 | 146.5 | 172.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 4 | R | 26.2 | Very low | 30.3 | Very low | 231 Ų | 231 | 150.2 Ų | 150.2 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | -155.4 | 127.9 | 109.1 | -105.1 | 171.1 | -166.6 | -169.4 | 2.1 | 112.2 | Y6 | R4-Y6 PolarHBondContact O-N 3.1Š| |||
| 5 | S | 26.3 | Very low | 31 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | -77.6 | 112.1 | -175.1 | 35.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 6 | Y | 27.3 | Very low | 31.8 | Very low | 226 Ų | 226 | 145.4 Ų | 145.4 | 89% | 0.886 | 70% | 0.7 | S | S | * | * | trans | -105 | 87.5 | 171.3 | -105.4 | -81.8 | 0 | 0 | 0 | 112.3 | R4 | R4-Y6 PolarHBondContact O-N 3.1Š| ||
| 7 | D | 30.2 | Very low | 32.5 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 47% | 0.471 | 69% | 0.691 | S | S | . | * | trans | 43.2 | 84.3 | 152.5 | -158.8 | 3.6 | 0 | 0 | 0 | 118.9 | K9 R10 | D7-K9 PolarHBondContact O-N 2.85Å; D7-K9 WeakPolarHBondContact OD1-CB 3.48Å; D7-K9 WeakPolarHBondContact OD1-CG 3.45Å; D7-K9 PolarHBondContact OD1-N 2.93Å; D7-K9 VanDerWaalsContact OD1-N 3.08Å; D7-R10 PolarHBondContact O-N 2.88Å | ||
| 8 | R | 30.3 | Very low | 33.2 | Very low | 225 Ų | 225 | 142.3 Ų | 142.3 | 85% | 0.849 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -13.5 | 169 | -89.1 | -178.8 | 167.4 | 179.1 | -5.9 | 114.2 | T11 | R8-T11 PolarHBondContact O-OG1 3.12Š|
| 9 | K | 32.3 | Very low | 34.1 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.2 | -15.9 | -177.6 | -59.7 | 168.2 | 179.9 | 168.1 | 0 | 113.4 | D7 S13 | D7-K9 PolarHBondContact O-N 2.85Å; D7-K9 WeakPolarHBondContact OD1-CB 3.48Å; D7-K9 WeakPolarHBondContact OD1-CG 3.45Å; D7-K9 PolarHBondContact OD1-N 2.93Å; D7-K9 VanDerWaalsContact OD1-N 3.08Å; K9-S13 PolarHBondContact O-OG 3.19Å |
| 10 | R | 32.5 | Very low | 34.8 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 76% | 0.758 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -79.7 | -24 | 180 | -93.9 | -174.4 | 173.9 | -173.1 | -0.6 | 115.6 | D7 S13 | D7-R10 PolarHBondContact O-N 2.88Å; R10-S13 WeakPolarHBondContact CA-OG 3.37Å; R10-S13 PolarHBondContact O-OG 3.25Å; R10-S13 VanDerWaalsContact O-OG 3.09Å |
| 11 | T | 33.8 | Very low | 35.2 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82.5 | -41.1 | 177.8 | 47.4 | 0 | 0 | 0 | 0 | 112 | R8 S13 S14 L15 | R8-T11 PolarHBondContact O-OG1 3.12Å; T11-S13 PolarHBondContact O-N 3.2Å; T11-S14 WeakPolarHBondContact O-CA 3.33Å; T11-S14 PolarHBondContact O-N 2.87Å; T11-S14 PolarHBondContact O-OG 3.03Å; T11-L15 PolarHBondContact O-N 3.14Å |
| 12 | Y | 32.4 | Very low | 36 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 64% | 0.635 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.7 | -28.2 | 172.7 | -82 | -85.6 | 0 | 0 | 0 | 113.4 | K16 | Y12-K16 WeakPolarHBondContact O-CB 3.4Å; Y12-K16 PolarHBondContact O-N 2.95Å |
| 13 | S | 33.9 | Very low | 36.9 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 48% | 0.476 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -79.9 | -17.6 | 174.4 | 36.2 | 0 | 0 | 0 | 0 | 113.8 | K9 R10 T11 R17 | K9-S13 PolarHBondContact O-OG 3.19Å; R10-S13 WeakPolarHBondContact CA-OG 3.37Å; R10-S13 PolarHBondContact O-OG 3.25Å; R10-S13 VanDerWaalsContact O-OG 3.09Å; T11-S13 PolarHBondContact O-N 3.2Å; S13-R17 VanDerWaalsContact O-CB 3.25Å; S13-R17 WeakPolarHBondContact O-CB 3.47Å; S13-R17 PolarHBondContact O-N 2.74Å |
| 14 | S | 38.6 | Very low | 37.7 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 43% | 0.427 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -82 | -40.4 | 164.3 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | T11 R17 N18 | T11-S14 WeakPolarHBondContact O-CA 3.33Å; T11-S14 PolarHBondContact O-N 2.87Å; T11-S14 PolarHBondContact O-OG 3.03Å; S14-R17 CarbonylContact O-C 3.44Å; S14-R17 WeakPolarHBondContact O-CB 3.4Å; S14-R17 PolarHBondContact O-N 2.73Å; S14-R17 VanDerWaalsContact O-N 3.15Å; S14-N18 WeakPolarHBondContact O-CB 3.38Å; S14-N18 VanDerWaalsContact O-CG 3.3Å; S14-N18 PolarHBondContact O-N 3.28Å; S14-N18 PolarHBondContact O-OD1 3.39Å |
| 15 | L | 40.9 | Very low | 38.2 | Very low | 89 Ų | 89 | 116.2 Ų | 116.2 | 47% | 0.466 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -46.9 | 174.8 | -170.5 | 70.1 | 0 | 0 | 0 | 110.8 | T11 R17 N18 I19 | T11-L15 PolarHBondContact O-N 3.14Å; L15-R17 PolarHBondContact O-N 3.14Å; L15-N18 PolarHBondContact O-N 3.11Å; L15-N18 VanDerWaalsContact O-N 3.17Å; L15-I19 HydrophobicContact CD2-CD1 4.44Å; L15-I19 HydrophobicContact CG-CD1 3.96Å; L15-I19 WeakPolarHBondContact O-CB 3.33Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 2.73Å |
| 16 | K | 43.7 | Very low | 38.7 | Very low | 135 Ų | 135 | 115.1 Ų | 115.1 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.5 | -29.6 | 173.9 | -173.8 | 162.4 | -173.9 | 159.5 | 0 | 112.8 | Y12 Q20 | Y12-K16 WeakPolarHBondContact O-CB 3.4Å; Y12-K16 PolarHBondContact O-N 2.95Å; K16-Q20 VanDerWaalsContact O-CB 3.28Å; K16-Q20 WeakPolarHBondContact O-CB 3.49Å; K16-Q20 WeakPolarHBondContact O-CG 3.48Å; K16-Q20 PolarHBondContact O-N 3.12Å |
| 17 | R | 43.7 | Very low | 39.4 | Very low | 147 Ų | 147 | 106.7 Ų | 106.7 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.6 | -37.4 | 173.9 | -170.4 | -173.8 | -163.2 | 96.7 | -3.5 | 112.3 | S13 S14 L15 Q20 L21 | S13-R17 VanDerWaalsContact O-CB 3.25Å; S13-R17 WeakPolarHBondContact O-CB 3.47Å; S13-R17 PolarHBondContact O-N 2.74Å; S14-R17 CarbonylContact O-C 3.44Å; S14-R17 WeakPolarHBondContact O-CB 3.4Å; S14-R17 PolarHBondContact O-N 2.73Å; S14-R17 VanDerWaalsContact O-N 3.15Å; L15-R17 PolarHBondContact O-N 3.14Å; R17-Q20 CarbonylContact O-C 3.2Å; R17-Q20 PolarHBondContact O-N 3.15Å; R17-L21 VanDerWaalsContact O-CG 3.29Å; R17-L21 WeakPolarHBondContact O-CG 3.29Å; R17-L21 PolarHBondContact O-N 2.89Å |
| 18 | N | 44.5 | Very low | 40.3 | Very low | 87 Ų | 87 | 106.8 Ų | 106.8 | 47% | 0.465 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -72.6 | -37.6 | 175.9 | -69.8 | -1.4 | 0 | 0 | 0 | 110.9 | S14 L15 L21 L22 | S14-N18 WeakPolarHBondContact O-CB 3.38Å; S14-N18 VanDerWaalsContact O-CG 3.3Å; S14-N18 PolarHBondContact O-N 3.28Å; S14-N18 PolarHBondContact O-OD1 3.39Å; L15-N18 PolarHBondContact O-N 3.11Å; L15-N18 VanDerWaalsContact O-N 3.17Å; N18-L21 CarbonylContact O-C 3.56Å; N18-L21 PolarHBondContact O-N 3.45Å; N18-L21 VanDerWaalsContact O-N 3.15Å; N18-L22 WeakPolarHBondContact O-CB 3.4Å; N18-L22 WeakPolarHBondContact O-CG 3.44Å; N18-L22 PolarHBondContact O-N 3.37Å |
| 19 | I | 49.9 | Very low | 41.4 | Very low | 25 Ų | 25 | 97.6 Ų | 97.6 | 13% | 0.128 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 167.1 | -65.2 | 168.1 | 0 | 0 | 0 | 109.4 | L15 L21 L22 E23 P62 V66 | L15-I19 HydrophobicContact CD2-CD1 4.44Å; L15-I19 HydrophobicContact CG-CD1 3.96Å; L15-I19 WeakPolarHBondContact O-CB 3.33Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 2.73Å; I19-L21 PolarHBondContact O-N 2.8Å; I19-L22 CarbonylContact O-C 3.44Å; I19-L22 WeakPolarHBondContact O-CA 3.21Å; I19-L22 PolarHBondContact O-N 2.9Å; I19-E23 HydrophobicContact CG2-CG 4.33Å; I19-E23 WeakPolarHBondContact O-CB 3.45Å; I19-E23 VanDerWaalsContact O-CG 3.27Å; I19-E23 WeakPolarHBondContact O-CG 3.25Å; I19-E23 PolarHBondContact O-N 3.34Å; I19-P62 HydrophobicContact CG2-CB 4.3Å; I19-V66 HydrophobicContact CD1-CG2 4.49Å |
| 20 | Q | 49.4 | Very low | 42.5 | Very low | 104 Ų | 104 | 94.1 Ų | 94.1 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -17.6 | 172.5 | -78.6 | 176 | -19.3 | 0 | 0 | 115.5 | K16 R17 E23 | K16-Q20 VanDerWaalsContact O-CB 3.28Å; K16-Q20 WeakPolarHBondContact O-CB 3.49Å; K16-Q20 WeakPolarHBondContact O-CG 3.48Å; K16-Q20 PolarHBondContact O-N 3.12Å; R17-Q20 CarbonylContact O-C 3.2Å; R17-Q20 PolarHBondContact O-N 3.15Å; Q20-E23 WeakPolarHBondContact CG-OE2 3.34Å |
| 21 | L | 43.2 | Very low | 43.7 | Very low | 105 Ų | 105 | 84.7 Ų | 84.7 | 55% | 0.55 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -86.6 | -35.5 | 170.5 | -72.4 | 162.4 | 0 | 0 | 0 | 110.9 | R17 N18 I19 S24 | R17-L21 VanDerWaalsContact O-CG 3.29Å; R17-L21 WeakPolarHBondContact O-CG 3.29Å; R17-L21 PolarHBondContact O-N 2.89Å; N18-L21 CarbonylContact O-C 3.56Å; N18-L21 PolarHBondContact O-N 3.45Å; N18-L21 VanDerWaalsContact O-N 3.15Å; I19-L21 PolarHBondContact O-N 2.8Å; L21-S24 WeakPolarHBondContact O-CB 3.42Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 PolarHBondContact O-OG 3.04Å |
| 22 | L | 45.1 | Very low | 44.7 | Very low | 97 Ų | 97 | 83.7 Ų | 83.7 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.8 | -29 | 171.6 | -69.2 | 163.3 | 0 | 0 | 0 | 112.6 | N18 I19 S24 A25 | N18-L22 WeakPolarHBondContact O-CB 3.4Å; N18-L22 WeakPolarHBondContact O-CG 3.44Å; N18-L22 PolarHBondContact O-N 3.37Å; I19-L22 CarbonylContact O-C 3.44Å; I19-L22 WeakPolarHBondContact O-CA 3.21Å; I19-L22 PolarHBondContact O-N 2.9Å; L22-S24 PolarHBondContact O-N 2.89Å; L22-A25 CarbonylContact O-C 3.5Å; L22-A25 WeakPolarHBondContact O-CA 3.4Å; L22-A25 PolarHBondContact O-N 2.98Å |
| 23 | E | 43.5 | Very low | 45.7 | Very low | 98 Ų | 98 | 78.7 Ų | 78.7 | 46% | 0.458 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.7 | 167.1 | -77.2 | 166.5 | -149 | 0 | 0 | 111.8 | I19 Q20 P62 | I19-E23 HydrophobicContact CG2-CG 4.33Å; I19-E23 WeakPolarHBondContact O-CB 3.45Å; I19-E23 VanDerWaalsContact O-CG 3.27Å; I19-E23 WeakPolarHBondContact O-CG 3.25Å; I19-E23 PolarHBondContact O-N 3.34Å; Q20-E23 WeakPolarHBondContact CG-OE2 3.34Å; E23-P62 HydrophobicContact CG-CG 4.04Å |
| 24 | S | 44.6 | Very low | 46.8 | Very low | 101 Ų | 101 | 76.4 Ų | 76.4 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 3 | 171.6 | 79.8 | 0 | 0 | 0 | 0 | 114.4 | L21 L22 | L21-S24 WeakPolarHBondContact O-CB 3.42Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 PolarHBondContact O-OG 3.04Å; L22-S24 PolarHBondContact O-N 2.89Å |
| 25 | A | 36.4 | Very low | 47.1 | Very low | 59 Ų | 59 | 76.4 Ų | 76.4 | 49% | 0.488 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -131.6 | 105.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L22 G27 | L22-A25 CarbonylContact O-C 3.5Å; L22-A25 WeakPolarHBondContact O-CA 3.4Å; L22-A25 PolarHBondContact O-N 2.98Å; A25-G27 PolarHBondContact O-N 2.92Å |
| 26 | S | 36.5 | Very low | 47.3 | Very low | 95 Ų | 95 | 77 Ų | 77 | 66% | 0.664 | 44% | 0.437 | S | S | * | . | trans | -52 | 118.6 | -179.9 | 49 | 0 | 0 | 0 | 0 | 113.2 | D924 | S26-D924 WeakPolarHBondContact CB-OD2 3.14Š| ||
| 27 | G | 43 | Very low | 47.1 | Very low | 49 Ų | 49 | 75.5 Ų | 75.5 | 51% | 0.505 | 44% | 0.436 | S | S | . | . | trans | -176.2 | 156.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A25 | A25-G27 PolarHBondContact O-N 2.92Š| ||
| 28 | C | 48 | Very low | 46.7 | Very low | 90 Ų | 90 | 76.4 Ų | 76.4 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | trans | -90.6 | 141.9 | 179.3 | 62.4 | 0 | 0 | 0 | 0 | 112.4 | T30 | C28-T30 PolarHBondContact O-N 2.91Š| ||
| 29 | F | 52.8 | Low | 46.1 | Very low | 33 Ų | 33 | 75.3 Ų | 75.3 | 15% | 0.145 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 101.2 | 172.9 | -53.5 | -80 | 0 | 0 | 0 | 110.2 | S58 T59 P62 F65 | F29-S58 WeakPolarHBondContact O-CA 3.38Å; F29-T59 WeakPolarHBondContact CA-O 3.08Å; F29-T59 WeakPolarHBondContact CB-O 3.24Å; F29-T59 WeakPolarHBondContact CD2-O 3.33Å; F29-T59 PolarHBondContact N-O 3.26Å; F29-T59 PolarHBondContact O-N 3.36Å; F29-P62 HydrophobicContact CE2-CB 4.37Å; F29-P62 HydrophobicContact CE2-CG 3.87Å; F29-P62 HydrophobicContact CZ-CG 4.21Å; F29-F65 HydrophobicContact CB-CB 3.98Å; F29-F65 HydrophobicContact CB-CD1 3.69Å; F29-F65 HydrophobicContact CB-CD2 3.5Å; F29-F65 VanDerWaalsContact CB-CD2 3.5Å; F29-F65 HydrophobicContact CB-CE1 3.98Å; F29-F65 HydrophobicContact CB-CE2 3.81Å; F29-F65 HydrophobicContact CB-CG 3.44Å; F29-F65 VanDerWaalsContact CB-CG 3.44Å; F29-F65 HydrophobicContact CB-CZ 4.04Å; F29-F65 AromaticContact CD1-CD1 3.99Å; F29-F65 HydrophobicContact CD1-CD1 3.99Å; F29-F65 HydrophobicContact CD1-CE1 4.25Å; F29-F65 HydrophobicContact CD1-CG 4.49Å; F29-F65 HydrophobicContact CD2-CB 4.4Å; F29-F65 HydrophobicContact CG-CB 4.22Å; F29-F65 AromaticContact CG-CD1 3.94Å; F29-F65 HydrophobicContact CG-CD1 3.94Å; F29-F65 HydrophobicContact CG-CE1 4.43Å; F29-F65 AromaticContact CG-CG 3.98Å; F29-F65 HydrophobicContact CG-CG 3.98Å |
| 30 | T | 55.9 | Low | 45.2 | Very low | 80 Ų | 80 | 81.4 Ų | 81.4 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.2 | 169.1 | 50.5 | 0 | 0 | 0 | 0 | 110 | C28 S32 | C28-T30 PolarHBondContact O-N 2.91Å; T30-S32 PolarHBondContact O-N 2.84Å |
| 31 | C | 58.6 | Low | 44.3 | Very low | 3 Ų | 3 | 82.1 Ų | 82.1 | 2% | 0.02 | 50% | 0.501 | C | S | . | . | trans | -77.2 | 116.3 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | I33 C34 S35 S57 F65 H68 H73 | C31-I33 VanDerWaalsContact C-N 3.31Å; C31-I33 PolarHBondContact O-N 2.93Å; C31-C34 HydrophobicContact CB-CB 4.15Å; C31-S35 WeakPolarHBondContact O-CB 3.45Å; C31-S35 PolarHBondContact O-N 3.05Å; C31-S35 PolarHBondContact O-OG 3.42Å; C31-S57 PolarHBondContact N-O 2.8Å; C31-S57 VanDerWaalsContact N-O 3.16Å; C31-F65 HydrophobicContact CB-CE2 4.06Å; C31-H68 VanDerWaalsContact CB-NE2 3.27Å; C31-H68 WeakPolarHBondContact CB-NE2 3.16Å; C31-H73 VanDerWaalsContact SG-CE1 3.55Å; C31-H73 PolarHBondContact SG-NE2 3.45Å | ||
| 32 | S | 54.3 | Low | 43.6 | Very low | 70 Ų | 70 | 85.6 Ų | 85.6 | 49% | 0.49 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 179.9 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | T30 S35 Q36 | T30-S32 PolarHBondContact O-N 2.84Å; S32-S35 PolarHBondContact O-N 3.03Å; S32-Q36 VanDerWaalsContact O-CG 3.3Å; S32-Q36 WeakPolarHBondContact O-CG 2.78Å; S32-Q36 PolarHBondContact O-N 3.31Å |
| 33 | I | 54.3 | Low | 42.8 | Very low | 57 Ų | 57 | 84 Ų | 84 | 29% | 0.292 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -54.1 | 179.3 | -58.6 | 134.4 | 0 | 0 | 0 | 109.7 | C31 S35 Q36 D37 D76 | C31-I33 VanDerWaalsContact C-N 3.31Å; C31-I33 PolarHBondContact O-N 2.93Å; I33-S35 PolarHBondContact O-N 3.12Å; I33-S35 VanDerWaalsContact O-N 3.08Å; I33-Q36 PolarHBondContact O-N 2.69Å; I33-D37 PolarHBondContact O-N 2.89Å; I33-D37 VanDerWaalsContact O-N 3.09Å; I33-D76 VanDerWaalsContact CD1-OD2 3.29Å; I33-D76 WeakPolarHBondContact CD1-OD2 3.49Å |
| 34 | C | 56.2 | Low | 42.1 | Very low | 20 Ų | 20 | 88 Ų | 88 | 14% | 0.135 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -66.7 | -8.4 | 173.3 | -72 | 0 | 0 | 0 | 0 | 115 | C31 H73 | C31-C34 HydrophobicContact CB-CB 4.15Å; C34-H73 PolarHBondContact SG-CE1 2.97Å; C34-H73 PolarHBondContact SG-NE2 3.25Å |
| 35 | S | 45.4 | Very low | 41.4 | Very low | 61 Ų | 61 | 90.1 Ų | 90.1 | 43% | 0.427 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -91.6 | -23.8 | 171.1 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | C31 S32 I33 | C31-S35 WeakPolarHBondContact O-CB 3.45Å; C31-S35 PolarHBondContact O-N 3.05Å; C31-S35 PolarHBondContact O-OG 3.42Å; S32-S35 PolarHBondContact O-N 3.03Å; I33-S35 PolarHBondContact O-N 3.12Å; I33-S35 VanDerWaalsContact O-N 3.08Å |
| 36 | Q | 43.9 | Very low | 40.9 | Very low | 100 Ų | 100 | 93.8 Ų | 93.8 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -85.1 | -32.8 | 176.3 | -73.1 | 168.8 | 11.5 | 0 | 0 | 112 | S32 I33 K38 G39 | S32-Q36 VanDerWaalsContact O-CG 3.3Å; S32-Q36 WeakPolarHBondContact O-CG 2.78Å; S32-Q36 PolarHBondContact O-N 3.31Å; I33-Q36 PolarHBondContact O-N 2.69Å; Q36-K38 PolarHBondContact O-N 2.81Å; Q36-G39 PolarHBondContact O-N 3.13Å |
| 37 | D | 40.6 | Very low | 40.4 | Very low | 105 Ų | 105 | 99.3 Ų | 99.3 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -57.2 | -15.5 | 172.8 | -91 | 0.2 | 0 | 0 | 0 | 114.7 | I33 G39 | I33-D37 PolarHBondContact O-N 2.89Å; I33-D37 VanDerWaalsContact O-N 3.09Å; D37-G39 VanDerWaalsContact C-N 3.28Å; D37-G39 PolarHBondContact O-N 2.92Å |
| 38 | K | 35.4 | Very low | 39.8 | Very low | 165 Ų | 165 | 104.4 Ų | 104.4 | 72% | 0.717 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -82.6 | 7 | -178.6 | -70.5 | -169.8 | 178.3 | -179.4 | 0 | 114.8 | Q36 | Q36-K38 PolarHBondContact O-N 2.81Š|
| 39 | G | 31.4 | Very low | 38.8 | Very low | 65 Ų | 65 | 104.6 Ų | 104.6 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -141 | 21 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q36 D37 | Q36-G39 PolarHBondContact O-N 3.13Å; D37-G39 VanDerWaalsContact C-N 3.28Å; D37-G39 PolarHBondContact O-N 2.92Å |
| 40 | L | 31.1 | Very low | 37.5 | Very low | 152 Ų | 152 | 110.6 Ų | 110.6 | 80% | 0.796 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -138.3 | 48.6 | -170.6 | -83.3 | 172 | 0 | 0 | 0 | 114.9 | ||
| 41 | S | 29.4 | Very low | 36.3 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | trans | -162.4 | 74.5 | 158.5 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 42 | D | 29.5 | Very low | 35 | Very low | 179 Ų | 179 | 118.4 Ų | 118.4 | 96% | 0.957 | 67% | 0.67 | S | S | * | * | trans | -97.4 | 131 | 163.7 | -145.3 | -14.5 | 0 | 0 | 0 | 108.3 | ||||
| 43 | G | 28.5 | Very low | 33.9 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 102.6 | 126 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 44 | H | 29.4 | Very low | 33.1 | Very low | 182 Ų | 182 | 128.8 Ų | 128.8 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | 76.9 | 126.3 | 163.9 | -85.9 | -91.9 | 0 | 0 | 0 | 121.9 | ||||
| 45 | L | 29.5 | Very low | 32.2 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | 78.5 | 79.2 | 151.7 | -63.2 | 171.2 | 0 | 0 | 0 | 119.9 | ||||
| 46 | N | 25.5 | Very low | 32.3 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | 44.5 | 127.6 | 113.9 | -77.8 | -5.9 | 0 | 0 | 0 | 121.4 | |||||
| 47 | Y | 26.4 | Very low | 32.8 | Very low | 212 Ų | 212 | 130.3 Ų | 130.3 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | trans | 75.1 | 142.9 | 144.4 | -89 | -110.5 | 0 | 0 | 0 | 119.3 | ||||
| 48 | L | 29.7 | Very low | 33.4 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 82% | 0.817 | 71% | 0.713 | S | S | * | * | trans | 79.7 | 92.9 | 169 | -56.1 | 172.2 | 0 | 0 | 0 | 119.2 | ||||
| 49 | S | 26.7 | Very low | 34.6 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 66% | 0.657 | 69% | 0.686 | S | S | * | * | 83 | 109.2 | 120 | -55 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 50 | N | 26.9 | Very low | 35.9 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | 57.5 | 74.7 | 128.4 | -60.4 | -7.6 | 0 | 0 | 0 | 120.8 | |||||
| 51 | V | 30.7 | Very low | 37.3 | Very low | 149 Ų | 149 | 118.8 Ų | 118.8 | 90% | 0.903 | 66% | 0.663 | S | S | * | * | trans | -140.3 | 117.1 | 140.7 | -174 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 52 | S | 29.6 | Very low | 38.6 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 69% | 0.685 | 64% | 0.635 | S | S | * | * | trans | -92.3 | 144.8 | 179.3 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 53 | H | 31.5 | Very low | 40.4 | Very low | 174 Ų | 174 | 113.9 Ų | 113.9 | 81% | 0.806 | 62% | 0.624 | S | S | * | * | trans | 53.2 | 94.6 | 167.6 | -56.9 | -72.5 | 0 | 0 | 0 | 118.4 | P55 | H53-P55 WeakPolarHBondContact O-CD 3.14Š| ||
| 54 | K | 37.8 | Very low | 42.2 | Very low | 170 Ų | 170 | 113.6 Ų | 113.6 | 74% | 0.739 | 61% | 0.61 | S | S | * | * | trans | -66.9 | 124 | 151.3 | -81.3 | -177.6 | 176.4 | 177.2 | 0 | 109 | ||||
| 55 | P | 38.3 | Very low | 44.2 | Very low | 71 Ų | 71 | 106.4 Ų | 106.4 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | trans | -79.6 | 143.3 | 176.6 | 31.5 | -34.2 | 0 | 0 | 0 | 112.7 | H53 | H53-P55 WeakPolarHBondContact O-CD 3.14Š| ||
| 56 | D | 47.2 | Very low | 45.8 | Very low | 106 Ų | 106 | 102.6 Ų | 102.6 | 57% | 0.567 | 56% | 0.559 | S | S | * | * | trans | 45.4 | 80.6 | 154.6 | -49.9 | -26.7 | 0 | 0 | 0 | 117.6 | S58 H68 | D56-S58 PolarHBondContact O-N 3.3Å; D56-H68 PolarHBondContact O-ND1 3.32Å | ||
| 57 | S | 54 | Low | 47.8 | Very low | 36 Ų | 36 | 99.3 Ų | 99.3 | 25% | 0.252 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -71.4 | -6 | 165.9 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | C31 | C31-S57 PolarHBondContact N-O 2.8Å; C31-S57 VanDerWaalsContact N-O 3.16Å |
| 58 | S | 53.1 | Low | 50 | Low | 66 Ų | 66 | 89.9 Ų | 89.9 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 128.1 | -178.2 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | F29 D56 | F29-S58 WeakPolarHBondContact O-CA 3.38Å; D56-S58 PolarHBondContact O-N 3.3Å |
| 59 | T | 59.8 | Low | 51.6 | Low | 23 Ų | 23 | 85 Ų | 85 | 14% | 0.141 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 152.5 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | F29 D61 V64 F65 | F29-T59 WeakPolarHBondContact CA-O 3.08Å; F29-T59 WeakPolarHBondContact CB-O 3.24Å; F29-T59 WeakPolarHBondContact CD2-O 3.33Å; F29-T59 PolarHBondContact N-O 3.26Å; F29-T59 PolarHBondContact O-N 3.36Å; T59-D61 WeakPolarHBondContact CG2-O 3.41Å; T59-D61 PolarHBondContact OG1-N 3.32Å; T59-V64 HydrophobicContact CG2-CB 4.22Å; T59-V64 HydrophobicContact CG2-CG1 4.11Å; T59-F65 HydrophobicContact CG2-CB 3.67Å; T59-F65 HydrophobicContact CG2-CD2 4.12Å; T59-F65 HydrophobicContact CG2-CG 4.36Å |
| 60 | S | 59.4 | Low | 53.4 | Low | 88 Ų | 88 | 85 Ų | 85 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -92.8 | -5.5 | 169.1 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 61 | D | 60.4 | Low | 55.2 | Low | 69 Ų | 69 | 84.3 Ų | 84.3 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | trans | -97.1 | 117.6 | -178.8 | -175.8 | -35.1 | 0 | 0 | 0 | 110.8 | T59 E63 V64 F65 | T59-D61 WeakPolarHBondContact CG2-O 3.41Å; T59-D61 PolarHBondContact OG1-N 3.32Å; D61-E63 VanDerWaalsContact C-N 3.34Å; D61-E63 PolarHBondContact O-N 2.93Å; D61-E63 WeakPolarHBondContact OD1-CA 3.34Å; D61-E63 WeakPolarHBondContact OD1-CB 3.16Å; D61-E63 PolarHBondContact OD1-N 3.5Å; D61-V64 HydrophobicContact CB-CB 3.95Å; D61-V64 HydrophobicContact CB-CG2 3.81Å; D61-V64 PolarHBondContact O-N 3.47Å; D61-V64 PolarHBondContact OD1-N 3.16Å; D61-V64 VanDerWaalsContact OD1-N 3.17Å; D61-F65 PolarHBondContact O-N 3.32Å | ||
| 62 | P | 56.1 | Low | 56.6 | Low | 37 Ų | 37 | 81.3 Ų | 81.3 | 24% | 0.24 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.8 | -32.4 | 178.3 | -20.9 | 31.5 | 0 | 0 | 0 | 114.5 | I19 E23 F29 F65 V66 | I19-P62 HydrophobicContact CG2-CB 4.3Å; E23-P62 HydrophobicContact CG-CG 4.04Å; F29-P62 HydrophobicContact CE2-CB 4.37Å; F29-P62 HydrophobicContact CE2-CG 3.87Å; F29-P62 HydrophobicContact CZ-CG 4.21Å; P62-F65 PolarHBondContact O-N 3.45Å; P62-V66 WeakPolarHBondContact O-CB 3.33Å; P62-V66 VanDerWaalsContact O-CG2 3.28Å; P62-V66 WeakPolarHBondContact O-CG2 3.26Å; P62-V66 PolarHBondContact O-N 3.28Å |
| 63 | E | 67.6 | Low | 58.3 | Low | 157 Ų | 157 | 77.8 Ų | 77.8 | 73% | 0.734 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.9 | -35.7 | 178.9 | -61.2 | -161.6 | 156.6 | 0 | 0 | 110.6 | D61 S67 | D61-E63 VanDerWaalsContact C-N 3.34Å; D61-E63 PolarHBondContact O-N 2.93Å; D61-E63 WeakPolarHBondContact OD1-CA 3.34Å; D61-E63 WeakPolarHBondContact OD1-CB 3.16Å; D61-E63 PolarHBondContact OD1-N 3.5Å; E63-S67 VanDerWaalsContact O-CB 3.24Å; E63-S67 WeakPolarHBondContact O-CB 3.12Å; E63-S67 PolarHBondContact O-N 3.42Å; E63-S67 PolarHBondContact O-OG 2.74Å |
| 64 | V | 67.7 | Low | 59.4 | Low | 57 Ų | 57 | 73.3 Ų | 73.3 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 169.6 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | T59 D61 S67 H68 | T59-V64 HydrophobicContact CG2-CB 4.22Å; T59-V64 HydrophobicContact CG2-CG1 4.11Å; D61-V64 HydrophobicContact CB-CB 3.95Å; D61-V64 HydrophobicContact CB-CG2 3.81Å; D61-V64 PolarHBondContact O-N 3.47Å; D61-V64 PolarHBondContact OD1-N 3.16Å; D61-V64 VanDerWaalsContact OD1-N 3.17Å; V64-S67 WeakPolarHBondContact O-CB 3.31Å; V64-S67 PolarHBondContact O-N 3.45Å; V64-H68 WeakPolarHBondContact O-CB 3.26Å; V64-H68 PolarHBondContact O-N 3.04Å |
| 65 | F | 69.6 | Low | 60 | Low | 31 Ų | 31 | 71.6 Ų | 71.6 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 177.8 | -167.9 | -119.3 | 0 | 0 | 0 | 112.6 | F29 C31 T59 D61 P62 S67 H68 L69 | F29-F65 HydrophobicContact CB-CB 3.98Å; F29-F65 HydrophobicContact CB-CD1 3.69Å; F29-F65 HydrophobicContact CB-CD2 3.5Å; F29-F65 VanDerWaalsContact CB-CD2 3.5Å; F29-F65 HydrophobicContact CB-CE1 3.98Å; F29-F65 HydrophobicContact CB-CE2 3.81Å; F29-F65 HydrophobicContact CB-CG 3.44Å; F29-F65 VanDerWaalsContact CB-CG 3.44Å; F29-F65 HydrophobicContact CB-CZ 4.04Å; F29-F65 AromaticContact CD1-CD1 3.99Å; F29-F65 HydrophobicContact CD1-CD1 3.99Å; F29-F65 HydrophobicContact CD1-CE1 4.25Å; F29-F65 HydrophobicContact CD1-CG 4.49Å; F29-F65 HydrophobicContact CD2-CB 4.4Å; F29-F65 HydrophobicContact CG-CB 4.22Å; F29-F65 AromaticContact CG-CD1 3.94Å; F29-F65 HydrophobicContact CG-CD1 3.94Å; F29-F65 HydrophobicContact CG-CE1 4.43Å; F29-F65 AromaticContact CG-CG 3.98Å; F29-F65 HydrophobicContact CG-CG 3.98Å; C31-F65 HydrophobicContact CB-CE2 4.06Å; T59-F65 HydrophobicContact CG2-CB 3.67Å; T59-F65 HydrophobicContact CG2-CD2 4.12Å; T59-F65 HydrophobicContact CG2-CG 4.36Å; D61-F65 PolarHBondContact O-N 3.32Å; P62-F65 PolarHBondContact O-N 3.45Å; F65-S67 VanDerWaalsContact C-N 3.31Å; F65-S67 PolarHBondContact O-N 3.21Å; F65-H68 WeakPolarHBondContact O-CB 3.1Å; F65-H68 PolarHBondContact O-N 3.02Å; F65-L69 HydrophobicContact CD1-CD1 3.93Å; F65-L69 HydrophobicContact CD1-CG 4.49Å; F65-L69 HydrophobicContact CE1-CD1 3.66Å; F65-L69 HydrophobicContact CE1-CG 4.25Å; F65-L69 HydrophobicContact CZ-CD1 4.18Å; F65-L69 HydrophobicContact CZ-CD2 4.38Å; F65-L69 HydrophobicContact CZ-CG 4.34Å; F65-L69 WeakPolarHBondContact O-CG 3.02Å; F65-L69 PolarHBondContact O-N 2.83Å |
| 66 | V | 63.8 | Low | 60.7 | Low | 66 Ų | 66 | 70.5 Ų | 70.5 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 172.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | I19 P62 L69 T70 | I19-V66 HydrophobicContact CD1-CG2 4.49Å; P62-V66 WeakPolarHBondContact O-CB 3.33Å; P62-V66 VanDerWaalsContact O-CG2 3.28Å; P62-V66 WeakPolarHBondContact O-CG2 3.26Å; P62-V66 PolarHBondContact O-N 3.28Å; V66-L69 PolarHBondContact O-N 3.02Å; V66-T70 HydrophobicContact CG1-CG2 4.47Å; V66-T70 WeakPolarHBondContact O-CB 3.39Å; V66-T70 WeakPolarHBondContact O-CG2 3.47Å; V66-T70 PolarHBondContact O-N 3.24Å; V66-T70 PolarHBondContact O-OG1 3.35Å |
| 67 | S | 68.2 | Low | 60.9 | Low | 67 Ų | 67 | 71.8 Ų | 71.8 | 47% | 0.469 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 172.5 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | E63 V64 F65 T70 K71 | E63-S67 VanDerWaalsContact O-CB 3.24Å; E63-S67 WeakPolarHBondContact O-CB 3.12Å; E63-S67 PolarHBondContact O-N 3.42Å; E63-S67 PolarHBondContact O-OG 2.74Å; V64-S67 WeakPolarHBondContact O-CB 3.31Å; V64-S67 PolarHBondContact O-N 3.45Å; F65-S67 VanDerWaalsContact C-N 3.31Å; F65-S67 PolarHBondContact O-N 3.21Å; S67-T70 WeakPolarHBondContact CA-OG1 2.87Å; S67-T70 PolarHBondContact O-N 2.94Å; S67-T70 PolarHBondContact O-OG1 3.13Å; S67-K71 WeakPolarHBondContact O-CB 3.41Å; S67-K71 PolarHBondContact O-N 2.68Å |
| 68 | H | 72.7 | Confident | 61.2 | Low | 14 Ų | 14 | 74.1 Ų | 74.1 | 7% | 0.065 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 174.9 | 174.5 | 106.2 | 0 | 0 | 0 | 111.2 | C31 D56 V64 F65 T70 K71 Y72 H73 | C31-H68 VanDerWaalsContact CB-NE2 3.27Å; C31-H68 WeakPolarHBondContact CB-NE2 3.16Å; D56-H68 PolarHBondContact O-ND1 3.32Å; V64-H68 WeakPolarHBondContact O-CB 3.26Å; V64-H68 PolarHBondContact O-N 3.04Å; F65-H68 WeakPolarHBondContact O-CB 3.1Å; F65-H68 PolarHBondContact O-N 3.02Å; H68-T70 PolarHBondContact O-N 3.18Å; H68-K71 PolarHBondContact O-N 3.34Å; H68-Y72 HydrophobicContact CB-CD2 4.47Å; H68-Y72 AromaticContact ND1-CD2 3.78Å; H68-Y72 WeakPolarHBondContact O-CB 3.46Å; H68-Y72 WeakPolarHBondContact O-CD2 3.43Å; H68-Y72 PolarHBondContact O-N 3.36Å; H68-H73 AromaticContact CD2-CD2 3.58Å; H68-H73 AromaticContact CD2-NE2 3.58Å; H68-H73 AromaticContact CE1-NE2 3.98Å; H68-H73 AromaticContact NE2-CD2 3.54Å; H68-H73 AromaticContact NE2-NE2 3.01Å; H68-H73 PolarHBondContact NE2-NE2 2.95Å |
| 69 | L | 62.6 | Low | 61.6 | Low | 54 Ų | 54 | 74.3 Ų | 74.3 | 28% | 0.283 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 177.4 | -69.8 | 174.1 | 0 | 0 | 0 | 112.1 | F65 V66 K71 H73 S74 | F65-L69 HydrophobicContact CD1-CD1 3.93Å; F65-L69 HydrophobicContact CD1-CG 4.49Å; F65-L69 HydrophobicContact CE1-CD1 3.66Å; F65-L69 HydrophobicContact CE1-CG 4.25Å; F65-L69 HydrophobicContact CZ-CD1 4.18Å; F65-L69 HydrophobicContact CZ-CD2 4.38Å; F65-L69 HydrophobicContact CZ-CG 4.34Å; F65-L69 WeakPolarHBondContact O-CG 3.02Å; F65-L69 PolarHBondContact O-N 2.83Å; V66-L69 PolarHBondContact O-N 3.02Å; L69-K71 VanDerWaalsContact C-N 3.29Å; L69-K71 PolarHBondContact O-N 3.07Å; L69-H73 HydrophobicContact CD2-CB 4.35Å; L69-H73 CarbonylContact O-C 3.55Å; L69-H73 VanDerWaalsContact O-C 3.27Å; L69-H73 WeakPolarHBondContact O-CA 3.43Å; L69-H73 WeakPolarHBondContact O-CB 3.32Å; L69-H73 PolarHBondContact O-N 3.05Å; L69-S74 PolarHBondContact O-N 2.9Å |
| 70 | T | 65.1 | Low | 61.7 | Low | 93 Ų | 93 | 77.9 Ų | 77.9 | 57% | 0.571 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -73.2 | -15.8 | 179.5 | 50.9 | 0 | 0 | 0 | 0 | 114.5 | V66 S67 H68 | V66-T70 HydrophobicContact CG1-CG2 4.47Å; V66-T70 WeakPolarHBondContact O-CB 3.39Å; V66-T70 WeakPolarHBondContact O-CG2 3.47Å; V66-T70 PolarHBondContact O-N 3.24Å; V66-T70 PolarHBondContact O-OG1 3.35Å; S67-T70 WeakPolarHBondContact CA-OG1 2.87Å; S67-T70 PolarHBondContact O-N 2.94Å; S67-T70 PolarHBondContact O-OG1 3.13Å; H68-T70 PolarHBondContact O-N 3.18Å |
| 71 | K | 64.9 | Low | 62.3 | Low | 144 Ų | 144 | 73.7 Ų | 73.7 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -105.8 | -26.6 | -177.3 | -170.7 | 179.5 | 180 | -169.3 | 0 | 114.4 | S67 H68 L69 | S67-K71 WeakPolarHBondContact O-CB 3.41Å; S67-K71 PolarHBondContact O-N 2.68Å; H68-K71 PolarHBondContact O-N 3.34Å; L69-K71 VanDerWaalsContact C-N 3.29Å; L69-K71 PolarHBondContact O-N 3.07Å |
| 72 | Y | 60.4 | Low | 62.4 | Low | 86 Ų | 86 | 77.8 Ų | 77.8 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -119.2 | -19.2 | -176.8 | -61.4 | -71.2 | 0 | 0 | 0 | 114 | H68 | H68-Y72 HydrophobicContact CB-CD2 4.47Å; H68-Y72 AromaticContact ND1-CD2 3.78Å; H68-Y72 WeakPolarHBondContact O-CB 3.46Å; H68-Y72 WeakPolarHBondContact O-CD2 3.43Å; H68-Y72 PolarHBondContact O-N 3.36Å |
| 73 | H | 64.3 | Low | 62.7 | Low | 24 Ų | 24 | 82.1 Ų | 82.1 | 11% | 0.111 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -125.7 | 27.5 | -175.8 | -52.6 | -78.2 | 0 | 0 | 0 | 111.6 | C31 C34 H68 L69 N75 | C31-H73 VanDerWaalsContact SG-CE1 3.55Å; C31-H73 PolarHBondContact SG-NE2 3.45Å; C34-H73 PolarHBondContact SG-CE1 2.97Å; C34-H73 PolarHBondContact SG-NE2 3.25Å; H68-H73 AromaticContact CD2-CD2 3.58Å; H68-H73 AromaticContact CD2-NE2 3.58Å; H68-H73 AromaticContact CE1-NE2 3.98Å; H68-H73 AromaticContact NE2-CD2 3.54Å; H68-H73 AromaticContact NE2-NE2 3.01Å; H68-H73 PolarHBondContact NE2-NE2 2.95Å; L69-H73 HydrophobicContact CD2-CB 4.35Å; L69-H73 CarbonylContact O-C 3.55Å; L69-H73 VanDerWaalsContact O-C 3.27Å; L69-H73 WeakPolarHBondContact O-CA 3.43Å; L69-H73 WeakPolarHBondContact O-CB 3.32Å; L69-H73 PolarHBondContact O-N 3.05Å; H73-N75 PolarHBondContact O-N 3.41Å |
| 74 | S | 54 | Low | 62.9 | Low | 81 Ų | 81 | 77.1 Ų | 77.1 | 57% | 0.566 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.3 | -179.8 | 58 | 0 | 0 | 0 | 0 | 113.8 | L69 | L69-S74 PolarHBondContact O-N 2.9Š|
| 75 | N | 50.6 | Low | 62.7 | Low | 134 Ų | 134 | 80.3 Ų | 80.3 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 7 | -166.7 | -64.2 | 12.4 | 0 | 0 | 0 | 113.2 | H73 E77 | H73-N75 PolarHBondContact O-N 3.41Å; N75-E77 PolarHBondContact O-N 3.33Å |
| 76 | D | 53.8 | Low | 62.2 | Low | 47 Ų | 47 | 81.2 Ų | 81.2 | 25% | 0.251 | 43% | 0.428 | S | S | . | . | trans | -65.8 | 101.4 | -179 | -76.3 | 27.2 | 0 | 0 | 0 | 110.9 | I33 N78 | I33-D76 VanDerWaalsContact CD1-OD2 3.29Å; I33-D76 WeakPolarHBondContact CD1-OD2 3.49Å; D76-N78 WeakPolarHBondContact CB-ND2 3.29Å; D76-N78 PolarHBondContact O-N 3.17Å; D76-N78 PolarHBondContact O-ND2 3.11Å | ||
| 77 | E | 52 | Low | 62 | Low | 133 Ų | 133 | 84 Ų | 84 | 62% | 0.621 | 44% | 0.44 | S | S | * | . | trans | -70.5 | 81.5 | 179.3 | -62.7 | -153 | 134.9 | 0 | 0 | 111 | N75 H79 W90 | N75-E77 PolarHBondContact O-N 3.33Å; E77-H79 PolarHBondContact O-CD2 3.37Å; E77-H79 PolarHBondContact O-N 3.39Å; E77-W90 HydrophobicContact CB-CB 4.23Å; E77-W90 VanDerWaalsContact O-CB 3.3Å; E77-W90 WeakPolarHBondContact O-CB 3.42Å; E77-W90 PolarHBondContact O-N 3.13Å | ||
| 78 | N | 59.7 | Low | 61.5 | Low | 85 Ų | 85 | 81.7 Ų | 81.7 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 109.6 | 174.3 | -76.7 | -82.9 | 0 | 0 | 0 | 109.8 | D76 I87 H89 | D76-N78 WeakPolarHBondContact CB-ND2 3.29Å; D76-N78 PolarHBondContact O-N 3.17Å; D76-N78 PolarHBondContact O-ND2 3.11Å; N78-I87 HydrophobicContact CB-CG2 3.73Å; N78-H89 PolarHBondContact OD1-N 3.27Å |
| 79 | H | 61.7 | Low | 61.2 | Low | 71 Ų | 71 | 83.3 Ų | 83.3 | 33% | 0.329 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 154.7 | 176.7 | -68.8 | -92.6 | 0 | 0 | 0 | 111.2 | E77 V88 L93 | E77-H79 PolarHBondContact O-CD2 3.37Å; E77-H79 PolarHBondContact O-N 3.39Å; H79-V88 PolarHBondContact N-O 2.96Å; H79-V88 PolarHBondContact O-N 3.24Å; H79-L93 HydrophobicContact CB-CD1 3.91Å; H79-L93 HydrophobicContact CB-CD2 3.64Å; H79-L93 HydrophobicContact CB-CG 4.32Å |
| 80 | L | 60.9 | Low | 61.1 | Low | 97 Ų | 97 | 88.1 Ų | 88.1 | 51% | 0.508 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130 | 168.9 | -155 | 82.2 | 0 | 0 | 0 | 109.3 | L82 D85 I87 | L80-L82 PolarHBondContact O-N 3.24Å; L80-D85 WeakPolarHBondContact CD1-O 3.49Å; L80-I87 HydrophobicContact CD1-CG1 3.97Å |
| 81 | C | 71.8 | Confident | 60.8 | Low | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 118.7 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | Y83 C84 D85 S86 H96 H100 | C81-Y83 PolarHBondContact O-N 2.91Å; C81-Y83 VanDerWaalsContact O-N 3.08Å; C81-C84 PolarHBondContact O-N 3.25Å; C81-D85 WeakPolarHBondContact O-CA 3.17Å; C81-D85 PolarHBondContact O-N 2.82Å; C81-S86 WeakPolarHBondContact CB-O 3.32Å; C81-S86 PolarHBondContact N-O 3.02Å; C81-H96 VanDerWaalsContact CB-CD2 3.47Å; C81-H96 WeakPolarHBondContact CB-CD2 3.22Å; C81-H96 WeakPolarHBondContact CB-NE2 3.49Å; C81-H96 PolarHBondContact SG-CD2 3.37Å; C81-H96 PolarHBondContact SG-NE2 2.8Å; C81-H96 VanDerWaalsContact SG-NE2 3.42Å; C81-H100 PolarHBondContact SG-CD2 3.37Å; C81-H100 PolarHBondContact SG-NE2 3.15Å |
| 82 | L | 63.4 | Low | 60.4 | Low | 156 Ų | 156 | 87.4 Ų | 87.4 | 82% | 0.817 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.1 | -179.9 | -63.7 | 171.7 | 0 | 0 | 0 | 114.7 | L80 | L80-L82 PolarHBondContact O-N 3.24Š|
| 83 | Y | 62.1 | Low | 60.6 | Low | 128 Ų | 128 | 84.5 Ų | 84.5 | 50% | 0.502 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -19.2 | -176.7 | -61.9 | -82.7 | 0 | 0 | 0 | 114 | C81 I97 H100 L101 | C81-Y83 PolarHBondContact O-N 2.91Å; C81-Y83 VanDerWaalsContact O-N 3.08Å; Y83-I97 HydrophobicContact CD2-CG1 4.42Å; Y83-I97 HydrophobicContact CE2-CG1 4.37Å; Y83-I97 HydrophobicContact CE2-CG2 4.05Å; Y83-H100 VanDerWaalsContact CB-CG 3.42Å; Y83-H100 HydrophobicContact CD1-CB 4.13Å; Y83-H100 HydrophobicContact CD2-CB 3.88Å; Y83-H100 HydrophobicContact CG-CB 3.63Å; Y83-H100 AromaticContact CG-CG 3.9Å; Y83-L101 HydrophobicContact CE1-CD2 4.41Å |
| 84 | C | 72.1 | Confident | 60.6 | Low | 51 Ų | 51 | 89.5 Ų | 89.5 | 35% | 0.345 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.2 | 14.4 | -173.7 | 68.1 | 0 | 0 | 0 | 0 | 115.3 | C81 S86 H96 H100 | C81-C84 PolarHBondContact O-N 3.25Å; C84-S86 PolarHBondContact O-N 3Å; C84-S86 VanDerWaalsContact SG-CB 3.54Å; C84-S86 PolarHBondContact SG-OG 3.48Å; C84-H96 PolarHBondContact SG-NE2 3.08Å; C84-H100 PolarHBondContact SG-CE1 3.19Å; C84-H100 PolarHBondContact SG-NE2 2.97Å |
| 85 | D | 63.5 | Low | 60.8 | Low | 124 Ų | 124 | 90.3 Ų | 90.3 | 66% | 0.663 | 45% | 0.448 | S | S | * | . | trans | 54.6 | 11.2 | -177.5 | -66.4 | -37.7 | 0 | 0 | 0 | 115.8 | L80 C81 | L80-D85 WeakPolarHBondContact CD1-O 3.49Å; C81-D85 WeakPolarHBondContact O-CA 3.17Å; C81-D85 PolarHBondContact O-N 2.82Å | ||
| 86 | S | 59.7 | Low | 61.3 | Low | 51 Ų | 51 | 85.5 Ų | 85.5 | 36% | 0.357 | 42% | 0.421 | S | S | . | . | trans | -71.7 | 136.1 | 179 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | C81 C84 | C81-S86 WeakPolarHBondContact CB-O 3.32Å; C81-S86 PolarHBondContact N-O 3.02Å; C84-S86 PolarHBondContact O-N 3Å; C84-S86 VanDerWaalsContact SG-CB 3.54Å; C84-S86 PolarHBondContact SG-OG 3.48Å | ||
| 87 | I | 59.3 | Low | 61.7 | Low | 125 Ų | 125 | 84.6 Ų | 84.6 | 64% | 0.641 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.4 | 174 | -59.8 | 174.6 | 0 | 0 | 0 | 108.1 | N78 L80 | N78-I87 HydrophobicContact CB-CG2 3.73Å; L80-I87 HydrophobicContact CD1-CG1 3.97Å |
| 88 | V | 57.7 | Low | 62 | Low | 18 Ų | 18 | 80.4 Ų | 80.4 | 11% | 0.109 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 126.1 | -175.3 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | H79 L93 H96 | H79-V88 PolarHBondContact N-O 2.96Å; H79-V88 PolarHBondContact O-N 3.24Å; V88-L93 HydrophobicContact CB-CD1 4.32Å; V88-H96 HydrophobicContact CG1-CB 4.04Å; V88-H96 HydrophobicContact CG2-CB 4.29Å |
| 89 | H | 66.2 | Low | 61.7 | Low | 48 Ų | 48 | 82.5 Ų | 82.5 | 22% | 0.222 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 135.3 | 174.9 | 176.5 | -92.5 | 0 | 0 | 0 | 111.6 | N78 N91 Y92 L93 | N78-H89 PolarHBondContact OD1-N 3.27Å; H89-N91 VanDerWaalsContact C-N 3.35Å; H89-N91 PolarHBondContact ND1-N 2.7Å; H89-N91 PolarHBondContact O-N 3.19Å; H89-N91 VanDerWaalsContact O-N 3.11Å; H89-Y92 HydrophobicContact CB-CD2 4.24Å; H89-Y92 AromaticContact ND1-CD2 3.88Å; H89-Y92 PolarHBondContact O-N 3.26Å; H89-L93 PolarHBondContact O-N 2.88Å |
| 90 | W | 60.9 | Low | 61.4 | Low | 154 Ų | 154 | 82.4 Ų | 82.4 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -36.1 | -54.2 | -176.3 | 150.1 | -100.9 | 0 | 0 | 0 | 114.8 | E77 Y92 L93 | E77-W90 HydrophobicContact CB-CB 4.23Å; E77-W90 VanDerWaalsContact O-CB 3.3Å; E77-W90 WeakPolarHBondContact O-CB 3.42Å; E77-W90 PolarHBondContact O-N 3.13Å; W90-Y92 PolarHBondContact O-N 3.02Å; W90-L93 WeakPolarHBondContact O-CB 3.39Å; W90-L93 PolarHBondContact O-N 3.4Å |
| 91 | N | 57.7 | Low | 60.8 | Low | 104 Ų | 104 | 82.6 Ų | 82.6 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58 | -23.6 | -178.5 | -70.6 | -12.7 | 0 | 0 | 0 | 114.3 | H89 | H89-N91 VanDerWaalsContact C-N 3.35Å; H89-N91 PolarHBondContact ND1-N 2.7Å; H89-N91 PolarHBondContact O-N 3.19Å; H89-N91 VanDerWaalsContact O-N 3.11Å |
| 92 | Y | 56.9 | Low | 59.2 | Low | 119 Ų | 119 | 88.6 Ų | 88.6 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -106.8 | -7.3 | 180 | -56.1 | -73.8 | 0 | 0 | 0 | 112.9 | H89 W90 M94 I95 H96 | H89-Y92 HydrophobicContact CB-CD2 4.24Å; H89-Y92 AromaticContact ND1-CD2 3.88Å; H89-Y92 PolarHBondContact O-N 3.26Å; W90-Y92 PolarHBondContact O-N 3.02Å; Y92-M94 VanDerWaalsContact C-N 3.31Å; Y92-M94 PolarHBondContact O-N 3.41Å; Y92-I95 HydrophobicContact CD1-CD1 4.33Å; Y92-I95 PolarHBondContact O-N 3.41Å; Y92-I95 VanDerWaalsContact O-N 3.1Å; Y92-H96 WeakPolarHBondContact O-CB 3.4Å; Y92-H96 PolarHBondContact O-N 3.05Å |
| 93 | L | 65.1 | Low | 57.9 | Low | 24 Ų | 24 | 86.4 Ų | 86.4 | 13% | 0.126 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58 | -42.6 | -177.1 | -177.2 | 67 | 0 | 0 | 0 | 111.7 | H79 V88 H89 W90 H96 I97 | H79-L93 HydrophobicContact CB-CD1 3.91Å; H79-L93 HydrophobicContact CB-CD2 3.64Å; H79-L93 HydrophobicContact CB-CG 4.32Å; V88-L93 HydrophobicContact CB-CD1 4.32Å; H89-L93 PolarHBondContact O-N 2.88Å; W90-L93 WeakPolarHBondContact O-CB 3.39Å; W90-L93 PolarHBondContact O-N 3.4Å; L93-H96 PolarHBondContact O-N 3.27Å; L93-I97 HydrophobicContact CD1-CD1 3.96Å; L93-I97 HydrophobicContact CD1-CG1 4.31Å; L93-I97 HydrophobicContact CD2-CD1 4.35Å; L93-I97 HydrophobicContact CG-CD1 3.79Å; L93-I97 HydrophobicContact CG-CG1 4.43Å; L93-I97 VanDerWaalsContact O-CB 3.31Å; L93-I97 WeakPolarHBondContact O-CB 3.39Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.44Å; L93-I97 PolarHBondContact O-N 3.09Å |
| 94 | M | 63.9 | Low | 56.5 | Low | 130 Ų | 130 | 86.6 Ų | 86.6 | 64% | 0.64 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -70.3 | -31.6 | 177.6 | -80.2 | -53.1 | -47.8 | 0 | 0 | 113.8 | Y92 S98 | Y92-M94 VanDerWaalsContact C-N 3.31Å; Y92-M94 PolarHBondContact O-N 3.41Å; M94-S98 WeakPolarHBondContact O-CB 3.27Å; M94-S98 PolarHBondContact O-N 3.1Å; M94-S98 PolarHBondContact O-OG 3.2Å |
| 95 | I | 56.9 | Low | 54.5 | Low | 97 Ų | 97 | 89.3 Ų | 89.3 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.7 | -35.7 | 176.4 | -60.2 | 172.8 | 0 | 0 | 0 | 110.1 | Y92 S98 Q99 | Y92-I95 HydrophobicContact CD1-CD1 4.33Å; Y92-I95 PolarHBondContact O-N 3.41Å; Y92-I95 VanDerWaalsContact O-N 3.1Å; I95-S98 PolarHBondContact O-OG 3.32Å; I95-Q99 WeakPolarHBondContact O-CG 3.31Å; I95-Q99 PolarHBondContact O-N 3.22Å |
| 96 | H | 61.2 | Low | 53 | Low | 33 Ų | 33 | 89 Ų | 89 | 15% | 0.153 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -75.1 | -40.1 | 174.6 | -178.5 | 77.9 | 0 | 0 | 0 | 112.2 | C81 C84 V88 Y92 L93 S98 Q99 H100 | C81-H96 VanDerWaalsContact CB-CD2 3.47Å; C81-H96 WeakPolarHBondContact CB-CD2 3.22Å; C81-H96 WeakPolarHBondContact CB-NE2 3.49Å; C81-H96 PolarHBondContact SG-CD2 3.37Å; C81-H96 PolarHBondContact SG-NE2 2.8Å; C81-H96 VanDerWaalsContact SG-NE2 3.42Å; C84-H96 PolarHBondContact SG-NE2 3.08Å; V88-H96 HydrophobicContact CG1-CB 4.04Å; V88-H96 HydrophobicContact CG2-CB 4.29Å; Y92-H96 WeakPolarHBondContact O-CB 3.4Å; Y92-H96 PolarHBondContact O-N 3.05Å; L93-H96 PolarHBondContact O-N 3.27Å; H96-S98 VanDerWaalsContact C-N 3.34Å; H96-S98 PolarHBondContact O-N 2.87Å; H96-Q99 WeakPolarHBondContact O-CB 3.43Å; H96-Q99 PolarHBondContact O-N 2.94Å; H96-H100 AromaticContact CD2-CD2 3.89Å; H96-H100 AromaticContact CD2-NE2 3.53Å; H96-H100 AromaticContact CE1-NE2 3.34Å; H96-H100 PolarHBondContact CE1-NE2 2.94Å; H96-H100 VanDerWaalsContact CE1-NE2 3.34Å; H96-H100 AromaticContact ND1-NE2 3.97Å; H96-H100 AromaticContact NE2-CD2 3.83Å; H96-H100 AromaticContact NE2-NE2 3.01Å; H96-H100 PolarHBondContact NE2-NE2 3.07Å; H96-H100 PolarHBondContact O-CD2 3.38Å; H96-H100 PolarHBondContact O-N 2.93Å |
| 97 | I | 64.1 | Low | 51.6 | Low | 29 Ų | 29 | 91.7 Ų | 91.7 | 15% | 0.149 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 173.5 | -75.2 | 174.3 | 0 | 0 | 0 | 111.1 | Y83 L93 Q99 H100 L101 | Y83-I97 HydrophobicContact CD2-CG1 4.42Å; Y83-I97 HydrophobicContact CE2-CG1 4.37Å; Y83-I97 HydrophobicContact CE2-CG2 4.05Å; L93-I97 HydrophobicContact CD1-CD1 3.96Å; L93-I97 HydrophobicContact CD1-CG1 4.31Å; L93-I97 HydrophobicContact CD2-CD1 4.35Å; L93-I97 HydrophobicContact CG-CD1 3.79Å; L93-I97 HydrophobicContact CG-CG1 4.43Å; L93-I97 VanDerWaalsContact O-CB 3.31Å; L93-I97 WeakPolarHBondContact O-CB 3.39Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.44Å; L93-I97 PolarHBondContact O-N 3.09Å; I97-Q99 VanDerWaalsContact C-N 3.29Å; I97-Q99 PolarHBondContact O-N 3.48Å; I97-H100 PolarHBondContact O-N 3.24Å; I97-H100 VanDerWaalsContact O-N 3.07Å; I97-L101 HydrophobicContact CG2-CD1 3.7Å; I97-L101 HydrophobicContact CG2-CG 4.25Å; I97-L101 WeakPolarHBondContact O-CG 3.46Å; I97-L101 PolarHBondContact O-N 3.05Å |
| 98 | S | 56.5 | Low | 50.6 | Low | 45 Ų | 45 | 95.1 Ų | 95.1 | 32% | 0.315 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -33.3 | 174.5 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | M94 I95 H96 H100 L101 L102 | M94-S98 WeakPolarHBondContact O-CB 3.27Å; M94-S98 PolarHBondContact O-N 3.1Å; M94-S98 PolarHBondContact O-OG 3.2Å; I95-S98 PolarHBondContact O-OG 3.32Å; H96-S98 VanDerWaalsContact C-N 3.34Å; H96-S98 PolarHBondContact O-N 2.87Å; S98-H100 PolarHBondContact O-N 3.26Å; S98-L101 PolarHBondContact O-N 2.93Å; S98-L101 VanDerWaalsContact O-N 3.14Å; S98-L102 VanDerWaalsContact O-CB 3.31Å; S98-L102 WeakPolarHBondContact O-CB 3.46Å; S98-L102 WeakPolarHBondContact O-CD1 3.01Å; S98-L102 WeakPolarHBondContact O-CG 3.36Å; S98-L102 PolarHBondContact O-N 2.89Å |
| 99 | Q | 54.5 | Low | 49.4 | Very low | 128 Ų | 128 | 99.7 Ų | 99.7 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.2 | -26.4 | 171.3 | -70.7 | 166.3 | -7.9 | 0 | 0 | 113.6 | I95 H96 I97 | I95-Q99 WeakPolarHBondContact O-CG 3.31Å; I95-Q99 PolarHBondContact O-N 3.22Å; H96-Q99 WeakPolarHBondContact O-CB 3.43Å; H96-Q99 PolarHBondContact O-N 2.94Å; I97-Q99 VanDerWaalsContact C-N 3.29Å; I97-Q99 PolarHBondContact O-N 3.48Å |
| 100 | H | 55 | Low | 48.1 | Very low | 69 Ų | 69 | 104.4 Ų | 104.4 | 32% | 0.319 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -86.3 | -24.3 | 172.5 | -63 | -69 | 0 | 0 | 0 | 113.7 | C81 Y83 C84 H96 I97 S98 | C81-H100 PolarHBondContact SG-CD2 3.37Å; C81-H100 PolarHBondContact SG-NE2 3.15Å; Y83-H100 VanDerWaalsContact CB-CG 3.42Å; Y83-H100 HydrophobicContact CD1-CB 4.13Å; Y83-H100 HydrophobicContact CD2-CB 3.88Å; Y83-H100 HydrophobicContact CG-CB 3.63Å; Y83-H100 AromaticContact CG-CG 3.9Å; C84-H100 PolarHBondContact SG-CE1 3.19Å; C84-H100 PolarHBondContact SG-NE2 2.97Å; H96-H100 AromaticContact CD2-CD2 3.89Å; H96-H100 AromaticContact CD2-NE2 3.53Å; H96-H100 AromaticContact CE1-NE2 3.34Å; H96-H100 PolarHBondContact CE1-NE2 2.94Å; H96-H100 VanDerWaalsContact CE1-NE2 3.34Å; H96-H100 AromaticContact ND1-NE2 3.97Å; H96-H100 AromaticContact NE2-CD2 3.83Å; H96-H100 AromaticContact NE2-NE2 3.01Å; H96-H100 PolarHBondContact NE2-NE2 3.07Å; H96-H100 PolarHBondContact O-CD2 3.38Å; H96-H100 PolarHBondContact O-N 2.93Å; I97-H100 PolarHBondContact O-N 3.24Å; I97-H100 VanDerWaalsContact O-N 3.07Å; S98-H100 PolarHBondContact O-N 3.26Å |
| 101 | L | 48.8 | Very low | 47.3 | Very low | 101 Ų | 101 | 106.3 Ų | 106.3 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -88.7 | -17 | 178.6 | -67.1 | 173.5 | 0 | 0 | 0 | 113.2 | Y83 I97 S98 T103 | Y83-L101 HydrophobicContact CE1-CD2 4.41Å; I97-L101 HydrophobicContact CG2-CD1 3.7Å; I97-L101 HydrophobicContact CG2-CG 4.25Å; I97-L101 WeakPolarHBondContact O-CG 3.46Å; I97-L101 PolarHBondContact O-N 3.05Å; S98-L101 PolarHBondContact O-N 2.93Å; S98-L101 VanDerWaalsContact O-N 3.14Å; L101-T103 PolarHBondContact O-N 2.78Å; L101-T103 VanDerWaalsContact O-N 3.09Å |
| 102 | L | 38.7 | Very low | 47 | Very low | 127 Ų | 127 | 106.1 Ų | 106.1 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | trans | -81.7 | 83.4 | 178.4 | -77.5 | 165.6 | 0 | 0 | 0 | 111.3 | S98 | S98-L102 VanDerWaalsContact O-CB 3.31Å; S98-L102 WeakPolarHBondContact O-CB 3.46Å; S98-L102 WeakPolarHBondContact O-CD1 3.01Å; S98-L102 WeakPolarHBondContact O-CG 3.36Å; S98-L102 PolarHBondContact O-N 2.89Å | ||
| 103 | T | 35.1 | Very low | 46.7 | Very low | 109 Ų | 109 | 103.7 Ų | 103.7 | 67% | 0.669 | 56% | 0.563 | S | S | * | * | trans | -57.5 | 139.2 | 167.5 | -43.5 | 0 | 0 | 0 | 0 | 109.6 | L101 S105 | L101-T103 PolarHBondContact O-N 2.78Å; L101-T103 VanDerWaalsContact O-N 3.09Å; T103-S105 PolarHBondContact O-N 3.04Å | ||
| 104 | P | 33.2 | Very low | 46.5 | Very low | 133 Ų | 133 | 104.9 Ų | 104.9 | 86% | 0.864 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -68.4 | 14.6 | -163.3 | -23.6 | 36 | 0 | 0 | 0 | 118.2 | ||
| 105 | S | 29.7 | Very low | 46.3 | Very low | 107 Ų | 107 | 98.8 Ų | 98.8 | 75% | 0.748 | 54% | 0.543 | S | S | * | . | trans | -111.5 | 14.5 | -153.4 | -41.3 | 0 | 0 | 0 | 0 | 115.4 | T103 | T103-S105 PolarHBondContact O-N 3.04Š| ||
| 106 | S | 31.8 | Very low | 46.7 | Very low | 117 Ų | 117 | 98.1 Ų | 98.1 | 82% | 0.818 | 55% | 0.545 | S | S | * | . | trans | -134.5 | 111.2 | -172.4 | -171.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 107 | S | 31.4 | Very low | 46.8 | Very low | 109 Ų | 109 | 97.9 Ų | 97.9 | 76% | 0.762 | 55% | 0.547 | S | S | * | . | trans | -100.9 | 107.3 | 179.9 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 108 | K | 37.3 | Very low | 46.1 | Very low | 196 Ų | 196 | 101 Ų | 101 | 85% | 0.852 | 56% | 0.56 | S | S | * | * | trans | 179.3 | 99.5 | 150.2 | -100.8 | 153.2 | -173.9 | 176.1 | 0 | 112.9 | ||||
| 109 | S | 33.6 | Very low | 46 | Very low | 115 Ų | 115 | 104.5 Ų | 104.5 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | trans | 58.2 | 171.2 | 161.4 | 78.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 110 | L | 37.7 | Very low | 46.3 | Very low | 146 Ų | 146 | 106.3 Ų | 106.3 | 76% | 0.764 | 59% | 0.589 | S | S | * | * | cis | -149.5 | 133 | 7 | -170.9 | 85.7 | 0 | 0 | 0 | 110.9 | ||||
| 111 | R | 44.7 | Very low | 46.8 | Very low | 195 Ų | 195 | 103.6 Ų | 103.6 | 74% | 0.736 | 58% | 0.578 | S | S | * | * | trans | 170.6 | 85.6 | 147.5 | -97.2 | 172 | -157 | -132.7 | 4.3 | 107.8 | ||||
| 112 | I | 51.2 | Low | 47.5 | Very low | 100 Ų | 100 | 103.9 Ų | 103.9 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | trans | -116.9 | 112.8 | 178.8 | -59.6 | 172.9 | 0 | 0 | 0 | 107 | S114 E124 | I112-S114 PolarHBondContact O-N 3.11Å; I112-E124 HydrophobicContact CG2-CB 3.61Å; I112-E124 HydrophobicContact CG2-CG 3.93Å | ||
| 113 | F | 50.8 | Low | 48.5 | Very low | 68 Ų | 68 | 102.8 Ų | 102.8 | 30% | 0.298 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 112.5 | 166.5 | -67.8 | -91.6 | 0 | 0 | 0 | 107.6 | F125 T127 F130 M133 | F113-F125 HydrophobicContact CB-CB 4.22Å; F113-F125 PolarHBondContact N-O 3.4Å; F113-F125 VanDerWaalsContact N-O 3.09Å; F113-F125 WeakPolarHBondContact O-CD2 3.42Å; F113-F125 PolarHBondContact O-N 3.12Å; F113-T127 WeakPolarHBondContact CE2-O 3.43Å; F113-F130 HydrophobicContact CE1-CD2 4.29Å; F113-M133 HydrophobicContact CB-CB 4.17Å; F113-M133 HydrophobicContact CB-CG 4.25Å; F113-M133 HydrophobicContact CB-SD 4.12Å; F113-M133 HydrophobicContact CD1-SD 4.09Å |
| 114 | S | 60.3 | Low | 49.7 | Very low | 48 Ų | 48 | 102.6 Ų | 102.6 | 34% | 0.336 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 144.7 | 167.7 | -74.7 | 0 | 0 | 0 | 0 | 109.8 | I112 K118 | I112-S114 PolarHBondContact O-N 3.11Å; S114-K118 PolarHBondContact OG-NZ 3.23Å |
| 115 | C | 60.7 | Low | 50.9 | Low | 2 Ų | 2 | 97.9 Ų | 97.9 | 1% | 0.014 | 54% | 0.537 | C | S | . | . | trans | -58.3 | 132 | 164.3 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | S117 C121 H123 H136 H141 | C115-S117 PolarHBondContact O-N 3.43Å; C115-S117 PolarHBondContact SG-N 3.46Å; C115-C121 HydrophobicContact CB-CB 4.08Å; C115-H123 PolarHBondContact N-O 3.26Å; C115-H136 VanDerWaalsContact SG-CD2 3.57Å; C115-H136 PolarHBondContact SG-NE2 3.47Å; C115-H136 VanDerWaalsContact SG-NE2 3.37Å; C115-H141 PolarHBondContact SG-NE2 3.02Å; C115-H141 VanDerWaalsContact SG-NE2 3.44Å | ||
| 116 | P | 65.4 | Low | 51.9 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.1 | 175.5 | -20.7 | 31.1 | 0 | 0 | 0 | 113.6 | K118 W137 | P116-K118 PolarHBondContact O-N 3.41Å; P116-K118 VanDerWaalsContact O-N 3.08Å; P116-W137 HydrophobicContact CB-CE3 4.35Å; P116-W137 HydrophobicContact CB-CH2 4.24Å; P116-W137 HydrophobicContact CB-CZ3 3.69Å; P116-W137 HydrophobicContact CG-CE3 4.1Å; P116-W137 HydrophobicContact CG-CZ3 3.95Å |
| 117 | S | 61.7 | Low | 52.9 | Low | 28 Ų | 28 | 94 Ų | 94 | 20% | 0.196 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 27 | -177.4 | -161.5 | 0 | 0 | 0 | 0 | 114.3 | C115 H120 C121 H141 | C115-S117 PolarHBondContact O-N 3.43Å; C115-S117 PolarHBondContact SG-N 3.46Å; S117-H120 CarbonylContact O-C 3.56Å; S117-H120 WeakPolarHBondContact O-CA 3.25Å; S117-H120 WeakPolarHBondContact O-CB 3.44Å; S117-H120 PolarHBondContact O-N 2.7Å; S117-C121 PolarHBondContact O-N 2.9Å; S117-H141 WeakPolarHBondContact CB-ND1 3.25Å; S117-H141 PolarHBondContact OG-ND1 3.4Å |
| 118 | K | 50.8 | Low | 53.7 | Low | 95 Ų | 95 | 94.6 Ų | 94.6 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 134.5 | 168.7 | -80.9 | 175.6 | 171.8 | 177.5 | 0 | 108.8 | S114 P116 C121 E124 | S114-K118 PolarHBondContact OG-NZ 3.23Å; P116-K118 PolarHBondContact O-N 3.41Å; P116-K118 VanDerWaalsContact O-N 3.08Å; K118-C121 WeakPolarHBondContact CG-O 3.46Å; K118-E124 IonicContact NZ-OE1 3.67Å; K118-E124 PolarHBondContact NZ-OE1 3.35Å |
| 119 | P | 53.2 | Low | 54.4 | Low | 118 Ų | 118 | 91.1 Ų | 91.1 | 77% | 0.766 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89 | -8.5 | 12.1 | 35.8 | -37.3 | 0 | 0 | 0 | 115.4 | C121 | P119-C121 PolarHBondContact O-N 3.4Š|
| 120 | H | 60.7 | Low | 55.4 | Low | 167 Ų | 167 | 91.1 Ų | 91.1 | 77% | 0.773 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16 | -176.1 | -59.1 | -69.4 | 0 | 0 | 0 | 114.5 | S117 | S117-H120 CarbonylContact O-C 3.56Å; S117-H120 WeakPolarHBondContact O-CA 3.25Å; S117-H120 WeakPolarHBondContact O-CB 3.44Å; S117-H120 PolarHBondContact O-N 2.7Å |
| 121 | C | 65 | Low | 56.1 | Low | 12 Ų | 12 | 89.2 Ų | 89.2 | 8% | 0.081 | 46% | 0.458 | C | S | . | . | trans | -132.7 | 128.2 | 171 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | C115 S117 K118 P119 H123 H136 | C115-C121 HydrophobicContact CB-CB 4.08Å; S117-C121 PolarHBondContact O-N 2.9Å; K118-C121 WeakPolarHBondContact CG-O 3.46Å; P119-C121 PolarHBondContact O-N 3.4Å; C121-H123 PolarHBondContact SG-N 2.86Å; C121-H123 VanDerWaalsContact SG-N 3.45Å; C121-H136 PolarHBondContact SG-CE1 3.07Å; C121-H136 PolarHBondContact SG-NE2 3.4Å | ||
| 122 | S | 65.1 | Low | 56.8 | Low | 106 Ų | 106 | 83.8 Ų | 83.8 | 74% | 0.741 | 44% | 0.44 | S | S | * | . | trans | -94.2 | 4.8 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 123 | H | 58.9 | Low | 57.4 | Low | 105 Ų | 105 | 80.2 Ų | 80.2 | 49% | 0.486 | 42% | 0.422 | S | S | . | . | trans | -71.2 | 135.3 | -176.5 | -92.3 | -83.7 | 0 | 0 | 0 | 113.5 | C115 C121 F125 | C115-H123 PolarHBondContact N-O 3.26Å; C121-H123 PolarHBondContact SG-N 2.86Å; C121-H123 VanDerWaalsContact SG-N 3.45Å; H123-F125 HydrophobicContact CB-CE2 3.95Å; H123-F125 HydrophobicContact CB-CZ 3.82Å | ||
| 124 | E | 60.2 | Low | 57.9 | Low | 105 Ų | 105 | 80.7 Ų | 80.7 | 49% | 0.491 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128 | 179.4 | -77.5 | -174.6 | -170 | 0 | 0 | 109.4 | I112 K118 | I112-E124 HydrophobicContact CG2-CB 3.61Å; I112-E124 HydrophobicContact CG2-CG 3.93Å; K118-E124 IonicContact NZ-OE1 3.67Å; K118-E124 PolarHBondContact NZ-OE1 3.35Å |
| 125 | F | 57.9 | Low | 57.8 | Low | 34 Ų | 34 | 81 Ų | 81 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 106.3 | -171.3 | -61 | -80.9 | 0 | 0 | 0 | 110.8 | F113 H123 T127 H132 M133 H136 | F113-F125 HydrophobicContact CB-CB 4.22Å; F113-F125 PolarHBondContact N-O 3.4Å; F113-F125 VanDerWaalsContact N-O 3.09Å; F113-F125 WeakPolarHBondContact O-CD2 3.42Å; F113-F125 PolarHBondContact O-N 3.12Å; H123-F125 HydrophobicContact CB-CE2 3.95Å; H123-F125 HydrophobicContact CB-CZ 3.82Å; F125-T127 HydrophobicContact CB-CG2 4.36Å; F125-T127 PolarHBondContact O-N 3.12Å; F125-H132 HydrophobicContact CD1-CB 4.45Å; F125-M133 HydrophobicContact CD2-CB 4.35Å; F125-M133 HydrophobicContact CD2-CG 4.4Å; F125-H136 HydrophobicContact CE1-CB 4.1Å; F125-H136 HydrophobicContact CE2-CB 3.87Å; F125-H136 AromaticContact CE2-CD2 3.74Å; F125-H136 AromaticContact CE2-CG 3.74Å; F125-H136 HydrophobicContact CZ-CB 3.37Å; F125-H136 AromaticContact CZ-CD2 3.78Å; F125-H136 AromaticContact CZ-CG 3.32Å; F125-H136 AromaticContact CZ-ND1 3.72Å |
| 126 | S | 51.1 | Low | 58.2 | Low | 111 Ų | 111 | 81.6 Ų | 81.6 | 78% | 0.776 | 43% | 0.425 | S | S | * | . | trans | -79.2 | 59.6 | 174 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 127 | T | 53 | Low | 58.1 | Low | 32 Ų | 32 | 82.9 Ų | 82.9 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -137.1 | 154 | -175.1 | 92.8 | 0 | 0 | 0 | 0 | 112.2 | F113 F125 R129 H132 | F113-T127 WeakPolarHBondContact CE2-O 3.43Å; F125-T127 HydrophobicContact CB-CG2 4.36Å; F125-T127 PolarHBondContact O-N 3.12Å; T127-R129 VanDerWaalsContact C-N 3.26Å; T127-R129 PolarHBondContact O-N 3.29Å; T127-R129 PolarHBondContact OG1-N 2.91Å; T127-R129 PolarHBondContact OG1-O 2.85Å; T127-H132 WeakPolarHBondContact CB-ND1 3.34Å; T127-H132 HydrophobicContact CG2-CB 4.31Å; T127-H132 PolarHBondContact OG1-ND1 3.46Å |
| 128 | D | 47.6 | Very low | 58.1 | Low | 120 Ų | 120 | 85.8 Ų | 85.8 | 64% | 0.642 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -76.1 | -6.5 | 176.3 | 62.7 | -43.6 | 0 | 0 | 0 | 114 | ||
| 129 | R | 53.3 | Low | 58.4 | Low | 124 Ų | 124 | 82.9 Ų | 82.9 | 47% | 0.468 | 42% | 0.42 | S | S | . | . | trans | -122.1 | 120.8 | -168.9 | -61.4 | 178.8 | -170.6 | -156.5 | -1.2 | 113.2 | T127 Q131 H132 | T127-R129 VanDerWaalsContact C-N 3.26Å; T127-R129 PolarHBondContact O-N 3.29Å; T127-R129 PolarHBondContact OG1-N 2.91Å; T127-R129 PolarHBondContact OG1-O 2.85Å; R129-Q131 HydrophobicContact CB-CB 4.4Å; R129-Q131 PolarHBondContact O-N 3.11Å; R129-Q131 VanDerWaalsContact O-N 3.11Å; R129-H132 PolarHBondContact O-N 2.93Å; R129-H132 VanDerWaalsContact O-N 3.16Å | ||
| 130 | F | 54.1 | Low | 58.8 | Low | 114 Ų | 114 | 82.4 Ų | 82.4 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -49.6 | -34.5 | 169.6 | -178.7 | -92.8 | 0 | 0 | 0 | 113 | F113 H132 M133 Q134 | F113-F130 HydrophobicContact CE1-CD2 4.29Å; F130-H132 PolarHBondContact O-N 2.8Å; F130-H132 VanDerWaalsContact O-N 3.11Å; F130-M133 HydrophobicContact CD2-CE 3.96Å; F130-M133 HydrophobicContact CE2-CE 3.4Å; F130-M133 HydrophobicContact CZ-CE 3.82Å; F130-M133 WeakPolarHBondContact O-CA 3.34Å; F130-M133 WeakPolarHBondContact O-CB 3.29Å; F130-M133 PolarHBondContact O-N 3.26Å; F130-Q134 HydrophobicContact CD1-CB 4.16Å; F130-Q134 HydrophobicContact CE1-CB 3.98Å; F130-Q134 PolarHBondContact O-N 3.33Å |
| 131 | Q | 53.4 | Low | 59 | Low | 107 Ų | 107 | 76.4 Ų | 76.4 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -48.7 | -38 | 177.6 | -69.1 | 171.1 | -25.9 | 0 | 0 | 113.5 | R129 Q134 I135 | R129-Q131 HydrophobicContact CB-CB 4.4Å; R129-Q131 PolarHBondContact O-N 3.11Å; R129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-Q134 PolarHBondContact O-N 3.25Å; Q131-I135 WeakPolarHBondContact O-CB 3.23Å; Q131-I135 WeakPolarHBondContact O-CD1 3.12Å; Q131-I135 WeakPolarHBondContact O-CG1 3.09Å; Q131-I135 PolarHBondContact O-N 3.15Å |
| 132 | H | 58.8 | Low | 58.6 | Low | 80 Ų | 80 | 78.5 Ų | 78.5 | 37% | 0.37 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.7 | -32.4 | 179.3 | -57.7 | 126.5 | 0 | 0 | 0 | 113 | F125 T127 R129 F130 H136 | F125-H132 HydrophobicContact CD1-CB 4.45Å; T127-H132 WeakPolarHBondContact CB-ND1 3.34Å; T127-H132 HydrophobicContact CG2-CB 4.31Å; T127-H132 PolarHBondContact OG1-ND1 3.46Å; R129-H132 PolarHBondContact O-N 2.93Å; R129-H132 VanDerWaalsContact O-N 3.16Å; F130-H132 PolarHBondContact O-N 2.8Å; F130-H132 VanDerWaalsContact O-N 3.11Å; H132-H136 PolarHBondContact O-N 3.1Å |
| 133 | M | 63.3 | Low | 57.8 | Low | 26 Ų | 26 | 79.5 Ų | 79.5 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.3 | -40.2 | 173 | -170.5 | -158.6 | 77.8 | 0 | 0 | 111 | F113 F125 F130 H136 W137 | F113-M133 HydrophobicContact CB-CB 4.17Å; F113-M133 HydrophobicContact CB-CG 4.25Å; F113-M133 HydrophobicContact CB-SD 4.12Å; F113-M133 HydrophobicContact CD1-SD 4.09Å; F125-M133 HydrophobicContact CD2-CB 4.35Å; F125-M133 HydrophobicContact CD2-CG 4.4Å; F130-M133 HydrophobicContact CD2-CE 3.96Å; F130-M133 HydrophobicContact CE2-CE 3.4Å; F130-M133 HydrophobicContact CZ-CE 3.82Å; F130-M133 WeakPolarHBondContact O-CA 3.34Å; F130-M133 WeakPolarHBondContact O-CB 3.29Å; F130-M133 PolarHBondContact O-N 3.26Å; M133-H136 WeakPolarHBondContact O-CB 3.5Å; M133-H136 PolarHBondContact O-N 3.13Å; M133-W137 PolarHBondContact O-N 3.15Å |
| 134 | Q | 61.2 | Low | 57 | Low | 78 Ų | 78 | 78.3 Ų | 78.3 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.4 | -50.7 | 175.2 | 176.6 | 178.5 | -6.1 | 0 | 0 | 111.5 | F130 Q131 H136 W137 E138 | F130-Q134 HydrophobicContact CD1-CB 4.16Å; F130-Q134 HydrophobicContact CE1-CB 3.98Å; F130-Q134 PolarHBondContact O-N 3.33Å; Q131-Q134 PolarHBondContact O-N 3.25Å; Q134-H136 PolarHBondContact O-N 2.74Å; Q134-W137 WeakPolarHBondContact O-CA 3.46Å; Q134-W137 WeakPolarHBondContact O-CB 3.43Å; Q134-W137 PolarHBondContact O-N 2.55Å; Q134-E138 HydrophobicContact CG-CG 4.4Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.45Å; Q134-E138 PolarHBondContact NE2-OE1 3.19Å; Q134-E138 WeakPolarHBondContact O-CG 2.99Å; Q134-E138 PolarHBondContact O-N 2.77Å |
| 135 | I | 59.1 | Low | 56.2 | Low | 54 Ų | 54 | 79.4 Ų | 79.4 | 28% | 0.277 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 178.5 | -66.9 | 162.8 | 0 | 0 | 0 | 111.1 | Q131 T139 L162 | Q131-I135 WeakPolarHBondContact O-CB 3.23Å; Q131-I135 WeakPolarHBondContact O-CD1 3.12Å; Q131-I135 WeakPolarHBondContact O-CG1 3.09Å; Q131-I135 PolarHBondContact O-N 3.15Å; I135-T139 HydrophobicContact CG2-CG2 4.43Å; I135-T139 WeakPolarHBondContact O-CB 3.43Å; I135-T139 WeakPolarHBondContact O-CG2 3.49Å; I135-T139 PolarHBondContact O-N 3.26Å; I135-T139 PolarHBondContact O-OG1 2.79Å; I135-L162 HydrophobicContact CG2-CB 4.23Å; I135-L162 HydrophobicContact CG2-CD1 3.78Å; I135-L162 HydrophobicContact CG2-CD2 3.62Å; I135-L162 HydrophobicContact CG2-CG 4.04Å |
| 136 | H | 67.4 | Low | 55.5 | Low | 15 Ų | 15 | 85.7 Ų | 85.7 | 7% | 0.069 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 171.9 | 173 | 73.5 | 0 | 0 | 0 | 112.6 | C115 C121 F125 H132 M133 Q134 T139 Q140 H141 | C115-H136 VanDerWaalsContact SG-CD2 3.57Å; C115-H136 PolarHBondContact SG-NE2 3.47Å; C115-H136 VanDerWaalsContact SG-NE2 3.37Å; C121-H136 PolarHBondContact SG-CE1 3.07Å; C121-H136 PolarHBondContact SG-NE2 3.4Å; F125-H136 HydrophobicContact CE1-CB 4.1Å; F125-H136 HydrophobicContact CE2-CB 3.87Å; F125-H136 AromaticContact CE2-CD2 3.74Å; F125-H136 AromaticContact CE2-CG 3.74Å; F125-H136 HydrophobicContact CZ-CB 3.37Å; F125-H136 AromaticContact CZ-CD2 3.78Å; F125-H136 AromaticContact CZ-CG 3.32Å; F125-H136 AromaticContact CZ-ND1 3.72Å; H132-H136 PolarHBondContact O-N 3.1Å; M133-H136 WeakPolarHBondContact O-CB 3.5Å; M133-H136 PolarHBondContact O-N 3.13Å; Q134-H136 PolarHBondContact O-N 2.74Å; H136-T139 PolarHBondContact O-N 3.44Å; H136-Q140 WeakPolarHBondContact O-CB 3.36Å; H136-Q140 PolarHBondContact O-N 3.09Å; H136-H141 AromaticContact CD2-CD2 3.93Å; H136-H141 AromaticContact CD2-NE2 3.88Å; H136-H141 AromaticContact CE1-NE2 3.72Å; H136-H141 AromaticContact NE2-CD2 3.63Å; H136-H141 AromaticContact NE2-NE2 3.11Å; H136-H141 PolarHBondContact NE2-NE2 2.97Å; H136-H141 VanDerWaalsContact NE2-NE2 3.11Å |
| 137 | W | 64.6 | Low | 55.2 | Low | 109 Ų | 109 | 86 Ų | 86 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 174.7 | -170.7 | -97.4 | 0 | 0 | 0 | 111.8 | P116 M133 Q134 T139 H141 S142 | P116-W137 HydrophobicContact CB-CE3 4.35Å; P116-W137 HydrophobicContact CB-CH2 4.24Å; P116-W137 HydrophobicContact CB-CZ3 3.69Å; P116-W137 HydrophobicContact CG-CE3 4.1Å; P116-W137 HydrophobicContact CG-CZ3 3.95Å; M133-W137 PolarHBondContact O-N 3.15Å; Q134-W137 WeakPolarHBondContact O-CA 3.46Å; Q134-W137 WeakPolarHBondContact O-CB 3.43Å; Q134-W137 PolarHBondContact O-N 2.55Å; W137-T139 VanDerWaalsContact C-N 3.28Å; W137-T139 PolarHBondContact O-N 3.28Å; W137-H141 HydrophobicContact CD2-CB 3.9Å; W137-H141 HydrophobicContact CE3-CB 3.8Å; W137-H141 AromaticContact CE3-CG 3.98Å; W137-H141 HydrophobicContact CG-CB 4.43Å; W137-H141 HydrophobicContact CH2-CB 4.42Å; W137-H141 HydrophobicContact CZ3-CB 4.07Å; W137-H141 CarbonylContact O-C 3.6Å; W137-H141 WeakPolarHBondContact O-CA 3.07Å; W137-H141 PolarHBondContact O-N 2.87Å; W137-S142 PolarHBondContact O-N 3.13Å; W137-S142 VanDerWaalsContact O-N 3.12Å; W137-S142 PolarHBondContact O-OG 2.97Å |
| 138 | E | 61.4 | Low | 54.9 | Low | 89 Ų | 89 | 88.5 Ų | 88.5 | 42% | 0.416 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -29.8 | 178.9 | -70.5 | 168.5 | -178.7 | 0 | 0 | 113.2 | Q134 S142 | Q134-E138 HydrophobicContact CG-CG 4.4Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.45Å; Q134-E138 PolarHBondContact NE2-OE1 3.19Å; Q134-E138 WeakPolarHBondContact O-CG 2.99Å; Q134-E138 PolarHBondContact O-N 2.77Å; E138-S142 WeakPolarHBondContact CA-OG 3.34Å |
| 139 | T | 57.7 | Low | 55.4 | Low | 34 Ų | 34 | 89.7 Ų | 89.7 | 21% | 0.209 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -104.3 | -7.2 | -176.3 | 58.5 | 0 | 0 | 0 | 0 | 115.6 | I135 H136 W137 | I135-T139 HydrophobicContact CG2-CG2 4.43Å; I135-T139 WeakPolarHBondContact O-CB 3.43Å; I135-T139 WeakPolarHBondContact O-CG2 3.49Å; I135-T139 PolarHBondContact O-N 3.26Å; I135-T139 PolarHBondContact O-OG1 2.79Å; H136-T139 PolarHBondContact O-N 3.44Å; W137-T139 VanDerWaalsContact C-N 3.28Å; W137-T139 PolarHBondContact O-N 3.28Å |
| 140 | Q | 61.4 | Low | 55.7 | Low | 108 Ų | 108 | 85.9 Ų | 85.9 | 51% | 0.505 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -132.8 | -18.8 | -178.8 | -61.6 | -70.5 | -76.7 | 0 | 0 | 114.6 | H136 | H136-Q140 WeakPolarHBondContact O-CB 3.36Å; H136-Q140 PolarHBondContact O-N 3.09Å |
| 141 | H | 65 | Low | 56.2 | Low | 42 Ų | 42 | 85.5 Ų | 85.5 | 19% | 0.194 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -10.6 | -174.3 | -59.7 | -62.1 | 0 | 0 | 0 | 114.3 | C115 S117 H136 W137 S143 | C115-H141 PolarHBondContact SG-NE2 3.02Å; C115-H141 VanDerWaalsContact SG-NE2 3.44Å; S117-H141 WeakPolarHBondContact CB-ND1 3.25Å; S117-H141 PolarHBondContact OG-ND1 3.4Å; H136-H141 AromaticContact CD2-CD2 3.93Å; H136-H141 AromaticContact CD2-NE2 3.88Å; H136-H141 AromaticContact CE1-NE2 3.72Å; H136-H141 AromaticContact NE2-CD2 3.63Å; H136-H141 AromaticContact NE2-NE2 3.11Å; H136-H141 PolarHBondContact NE2-NE2 2.97Å; H136-H141 VanDerWaalsContact NE2-NE2 3.11Å; W137-H141 HydrophobicContact CD2-CB 3.9Å; W137-H141 HydrophobicContact CE3-CB 3.8Å; W137-H141 AromaticContact CE3-CG 3.98Å; W137-H141 HydrophobicContact CG-CB 4.43Å; W137-H141 HydrophobicContact CH2-CB 4.42Å; W137-H141 HydrophobicContact CZ3-CB 4.07Å; W137-H141 CarbonylContact O-C 3.6Å; W137-H141 WeakPolarHBondContact O-CA 3.07Å; W137-H141 PolarHBondContact O-N 2.87Å; H141-S143 PolarHBondContact O-N 2.89Å; H141-S143 VanDerWaalsContact O-N 3.09Å |
| 142 | S | 56.4 | Low | 56.8 | Low | 56 Ų | 56 | 80.5 Ų | 80.5 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | trans | -72.8 | 98.7 | 171.7 | -65.8 | 0 | 0 | 0 | 0 | 111 | W137 E138 S144 | W137-S142 PolarHBondContact O-N 3.13Å; W137-S142 VanDerWaalsContact O-N 3.12Å; W137-S142 PolarHBondContact O-OG 2.97Å; E138-S142 WeakPolarHBondContact CA-OG 3.34Å; S142-S144 PolarHBondContact O-N 2.99Å | ||
| 143 | S | 47.4 | Very low | 57.2 | Low | 126 Ų | 126 | 81.3 Ų | 81.3 | 88% | 0.881 | 45% | 0.45 | S | S | * | . | trans | -79.3 | 6.3 | 178.3 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | H141 | H141-S143 PolarHBondContact O-N 2.89Å; H141-S143 VanDerWaalsContact O-N 3.09Å | ||
| 144 | S | 42.6 | Very low | 57 | Low | 81 Ų | 81 | 84.2 Ų | 84.2 | 57% | 0.566 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -64.3 | 134.8 | 168.6 | 48 | 0 | 0 | 0 | 0 | 111.4 | S142 E146 | S142-S144 PolarHBondContact O-N 2.99Å; S144-E146 PolarHBondContact O-N 2.79Å |
| 145 | S | 43.2 | Very low | 57.1 | Low | 128 Ų | 128 | 81.6 Ų | 81.6 | 90% | 0.895 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -70.6 | 16.9 | -170.6 | 53.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 146 | E | 44.3 | Very low | 57.7 | Low | 166 Ų | 166 | 84 Ų | 84 | 78% | 0.776 | 46% | 0.464 | S | S | * | . | trans | -111.7 | 83.7 | 178 | -64.1 | -166.7 | 150.2 | 0 | 0 | 110.2 | S144 S148 | S144-E146 PolarHBondContact O-N 2.79Å; E146-S148 PolarHBondContact O-N 2.92Å | ||
| 147 | T | 44.6 | Very low | 57.8 | Low | 117 Ų | 117 | 87.5 Ų | 87.5 | 72% | 0.718 | 48% | 0.483 | S | S | * | . | trans | -64.1 | 106.2 | 173.4 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | K149 | T147-K149 VanDerWaalsContact C-N 3.29Å; T147-K149 PolarHBondContact O-N 2.8Å | ||
| 148 | S | 46.9 | Very low | 58.1 | Low | 85 Ų | 85 | 86 Ų | 86 | 59% | 0.594 | 49% | 0.487 | S | S | * | . | trans | -70.6 | 79.4 | -176.4 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | E146 L150 | E146-S148 PolarHBondContact O-N 2.92Å; S148-L150 PolarHBondContact O-N 3.02Å | ||
| 149 | K | 56.4 | Low | 58.5 | Low | 144 Ų | 144 | 83.4 Ų | 83.4 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | trans | -52.1 | 100.6 | -177.8 | -73.7 | 176.7 | -175.1 | 174.9 | 0 | 111.8 | T147 Q151 T158 | T147-K149 VanDerWaalsContact C-N 3.29Å; T147-K149 PolarHBondContact O-N 2.8Å; K149-Q151 PolarHBondContact O-N 3.13Å; K149-Q151 VanDerWaalsContact O-N 3.1Å; K149-T158 HydrophobicContact CB-CG2 4.1Å; K149-T158 HydrophobicContact CD-CG2 4.5Å | ||
| 150 | L | 60.3 | Low | 58.7 | Low | 45 Ų | 45 | 86.2 Ų | 86.2 | 24% | 0.236 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 109.3 | 179.9 | -72 | 168 | 0 | 0 | 0 | 109.2 | S148 F159 L162 W165 | S148-L150 PolarHBondContact O-N 3.02Å; L150-F159 PolarHBondContact N-O 2.95Å; L150-F159 VanDerWaalsContact N-O 3.11Å; L150-F159 WeakPolarHBondContact O-CD2 3.45Å; L150-F159 PolarHBondContact O-N 3.37Å; L150-L162 VanDerWaalsContact CD1-CA 3.49Å; L150-L162 HydrophobicContact CD1-CB 4.01Å; L150-L162 HydrophobicContact CD1-CD1 3.91Å; L150-L162 HydrophobicContact CD1-CG 4.49Å; L150-W165 HydrophobicContact CB-CB 4.15Å; L150-W165 HydrophobicContact CB-CG 4.03Å; L150-W165 HydrophobicContact CD1-CB 4.2Å |
| 151 | Q | 64.8 | Low | 58.8 | Low | 106 Ų | 106 | 82.6 Ų | 82.6 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.9 | -177.5 | -160.4 | 171.3 | 28.4 | 0 | 0 | 111.4 | K149 M156 N157 T158 W165 | K149-Q151 PolarHBondContact O-N 3.13Å; K149-Q151 VanDerWaalsContact O-N 3.1Å; Q151-M156 WeakPolarHBondContact CG-O 3.24Å; Q151-M156 PolarHBondContact NE2-O 2.68Å; Q151-N157 CarbonylContact C-O 3.53Å; Q151-N157 WeakPolarHBondContact CA-O 3.17Å; Q151-T158 HydrophobicContact CB-CG2 4.4Å; Q151-T158 HydrophobicContact CG-CG2 4.16Å; Q151-W165 PolarHBondContact O-NE1 2.62Å; Q151-W165 VanDerWaalsContact O-NE1 3.12Å |
| 152 | C | 67 | Low | 58.5 | Low | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.007 | 49% | 0.487 | C | S | . | . | trans | -79.6 | 121.1 | 166.2 | -177 | 0 | 0 | 0 | 0 | 110.3 | Q154 M156 N157 F159 H168 C225 | C152-Q154 PolarHBondContact O-N 3.3Å; C152-M156 VanDerWaalsContact O-CA 3.27Å; C152-M156 WeakPolarHBondContact O-CA 3.45Å; C152-M156 PolarHBondContact O-N 3.41Å; C152-N157 PolarHBondContact N-O 2.95Å; C152-F159 HydrophobicContact CB-CE2 4.2Å; C152-H168 PolarHBondContact SG-NE2 2.63Å; C152-C225 PolarHBondContact SG-SG 3.22Å | ||
| 153 | S | 65.3 | Low | 59.1 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -7.4 | -179.6 | 56.9 | 0 | 0 | 0 | 0 | 115.4 | M156 | S153-M156 VanDerWaalsContact O-CE 3.27Å; S153-M156 WeakPolarHBondContact O-CE 3.44Å |
| 154 | Q | 60.1 | Low | 60 | Low | 88 Ų | 88 | 85.3 Ų | 85.3 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -67.7 | 175.1 | -74.9 | -69.6 | -15.7 | 0 | 0 | 111 | C152 L223 C225 N226 | C152-Q154 PolarHBondContact O-N 3.3Å; Q154-L223 HydrophobicContact CB-CD2 4.46Å; Q154-L223 HydrophobicContact CG-CD2 3.98Å; Q154-L223 HydrophobicContact CG-CG 4.31Å; Q154-C225 WeakPolarHBondContact CB-SG 3.42Å; Q154-N226 VanDerWaalsContact C-ND2 3.29Å; Q154-N226 PolarHBondContact O-ND2 2.86Å; Q154-N226 PolarHBondContact O-OD1 3.04Å; Q154-N226 PolarHBondContact OE1-ND2 2.91Å |
| 155 | C | 64.1 | Low | 61.4 | Low | 22 Ų | 22 | 85.4 Ų | 85.4 | 15% | 0.149 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -3.5 | -175.6 | 69.6 | 0 | 0 | 0 | 0 | 115.7 | N157 H168 C225 | C155-N157 PolarHBondContact O-N 3.35Å; C155-H168 PolarHBondContact SG-CE1 3.17Å; C155-H168 PolarHBondContact SG-NE2 3.18Å; C155-C225 HydrophobicContact CB-CB 3.94Å; C155-C225 VanDerWaalsContact CB-SG 3.59Å; C155-C225 PolarHBondContact N-SG 3.12Å; C155-C225 VanDerWaalsContact SG-SG 3.65Å |
| 156 | M | 70.8 | Confident | 62.5 | Low | 106 Ų | 106 | 80.8 Ų | 80.8 | 52% | 0.522 | 44% | 0.439 | S | S | . | . | trans | 62 | 3.7 | -177.8 | -55.9 | -60.1 | 154.1 | 0 | 0 | 116.3 | Q151 C152 S153 T158 | Q151-M156 WeakPolarHBondContact CG-O 3.24Å; Q151-M156 PolarHBondContact NE2-O 2.68Å; C152-M156 VanDerWaalsContact O-CA 3.27Å; C152-M156 WeakPolarHBondContact O-CA 3.45Å; C152-M156 PolarHBondContact O-N 3.41Å; S153-M156 VanDerWaalsContact O-CE 3.27Å; S153-M156 WeakPolarHBondContact O-CE 3.44Å; M156-T158 PolarHBondContact O-N 3.11Å | ||
| 157 | N | 68.5 | Low | 63.9 | Low | 88 Ų | 88 | 77 Ų | 77 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | trans | -58.8 | 135.2 | 170.7 | -72.8 | -8.4 | 0 | 0 | 0 | 111 | Q151 C152 C155 F159 | Q151-N157 CarbonylContact C-O 3.53Å; Q151-N157 WeakPolarHBondContact CA-O 3.17Å; C152-N157 PolarHBondContact N-O 2.95Å; C155-N157 PolarHBondContact O-N 3.35Å; N157-F159 HydrophobicContact CB-CE2 3.71Å; N157-F159 HydrophobicContact CB-CZ 3.65Å; N157-F159 WeakPolarHBondContact O-CE2 3.36Å | ||
| 158 | T | 70.9 | Confident | 65.3 | Low | 78 Ų | 78 | 72.4 Ų | 72.4 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134 | 173.7 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | K149 Q151 M156 | K149-T158 HydrophobicContact CB-CG2 4.1Å; K149-T158 HydrophobicContact CD-CG2 4.5Å; Q151-T158 HydrophobicContact CB-CG2 4.4Å; Q151-T158 HydrophobicContact CG-CG2 4.16Å; M156-T158 PolarHBondContact O-N 3.11Å |
| 159 | F | 70.3 | Confident | 66.3 | Low | 34 Ų | 34 | 70.2 Ų | 70.2 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147.2 | -179.9 | -59.2 | -84 | 0 | 0 | 0 | 111 | L150 C152 N157 E164 W165 H168 | L150-F159 PolarHBondContact N-O 2.95Å; L150-F159 VanDerWaalsContact N-O 3.11Å; L150-F159 WeakPolarHBondContact O-CD2 3.45Å; L150-F159 PolarHBondContact O-N 3.37Å; C152-F159 HydrophobicContact CB-CE2 4.2Å; N157-F159 HydrophobicContact CB-CE2 3.71Å; N157-F159 HydrophobicContact CB-CZ 3.65Å; N157-F159 WeakPolarHBondContact O-CE2 3.36Å; F159-E164 HydrophobicContact CB-CB 4.07Å; F159-E164 HydrophobicContact CD1-CB 3.84Å; F159-E164 HydrophobicContact CG-CB 4.31Å; F159-W165 HydrophobicContact CB-CB 4.1Å; F159-W165 HydrophobicContact CD2-CB 4.16Å; F159-W165 AromaticContact CD2-CD1 3.86Å; F159-W165 HydrophobicContact CD2-CG 4.4Å; F159-W165 HydrophobicContact CG-CB 4.23Å; F159-H168 HydrophobicContact CE1-CB 3.92Å; F159-H168 HydrophobicContact CE2-CB 4.04Å; F159-H168 AromaticContact CE2-CD2 3.88Å; F159-H168 AromaticContact CE2-CG 3.77Å; F159-H168 HydrophobicContact CZ-CB 3.55Å; F159-H168 AromaticContact CZ-CD2 3.88Å; F159-H168 AromaticContact CZ-CG 3.33Å; F159-H168 AromaticContact CZ-ND1 3.49Å; F159-H168 WeakPolarHBondContact CZ-ND1 3.28Å |
| 160 | S | 62.7 | Low | 66.9 | Low | 93 Ų | 93 | 70.5 Ų | 70.5 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -77.7 | -28.4 | -179.9 | 14 | 0 | 0 | 0 | 0 | 113 | E164 | S160-E164 WeakPolarHBondContact CB-OE2 3.28Å; S160-E164 PolarHBondContact N-OE2 2.99Å; S160-E164 PolarHBondContact OG-OE1 3.4Å; S160-E164 PolarHBondContact OG-OE2 3.09Å |
| 161 | T | 62.6 | Low | 67.2 | Low | 31 Ų | 31 | 71.8 Ų | 71.8 | 19% | 0.19 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -134.6 | 156.2 | -175.7 | 66.1 | 0 | 0 | 0 | 0 | 112.2 | L163 E164 W165 | T161-L163 PolarHBondContact O-N 2.97Å; T161-E164 WeakPolarHBondContact CB-OE2 3.49Å; T161-E164 PolarHBondContact N-OE2 3.21Å; T161-E164 PolarHBondContact O-N 2.47Å; T161-E164 VanDerWaalsContact OG1-CD 3.27Å; T161-E164 VanDerWaalsContact OG1-CG 3.22Å; T161-E164 WeakPolarHBondContact OG1-CG 3.29Å; T161-E164 PolarHBondContact OG1-N 3.28Å; T161-E164 PolarHBondContact OG1-OE2 3.31Å; T161-W165 PolarHBondContact O-N 3.44Å |
| 162 | L | 59.4 | Low | 67.2 | Low | 64 Ų | 64 | 67.3 Ų | 67.3 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -29.1 | 171.7 | -165.6 | 92.4 | 0 | 0 | 0 | 111.9 | I135 L150 W165 G166 | I135-L162 HydrophobicContact CG2-CB 4.23Å; I135-L162 HydrophobicContact CG2-CD1 3.78Å; I135-L162 HydrophobicContact CG2-CD2 3.62Å; I135-L162 HydrophobicContact CG2-CG 4.04Å; L150-L162 VanDerWaalsContact CD1-CA 3.49Å; L150-L162 HydrophobicContact CD1-CB 4.01Å; L150-L162 HydrophobicContact CD1-CD1 3.91Å; L150-L162 HydrophobicContact CD1-CG 4.49Å; L162-W165 HydrophobicContact CD1-CE3 4.17Å; L162-W165 HydrophobicContact CD1-CZ3 4.47Å; L162-W165 PolarHBondContact O-N 3.42Å; L162-G166 PolarHBondContact O-N 2.59Å |
| 163 | L | 68.2 | Low | 67.2 | Low | 136 Ų | 136 | 71.4 Ų | 71.4 | 71% | 0.712 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 178.6 | -170.2 | 66.8 | 0 | 0 | 0 | 111 | T161 G166 E167 | T161-L163 PolarHBondContact O-N 2.97Å; L163-G166 PolarHBondContact O-N 2.44Å; L163-E167 WeakPolarHBondContact O-CB 3.41Å; L163-E167 WeakPolarHBondContact O-CG 3.39Å; L163-E167 PolarHBondContact O-N 2.71Å |
| 164 | E | 67.3 | Low | 67.2 | Low | 82 Ų | 82 | 68.6 Ų | 68.6 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 176.5 | -66.5 | 161.1 | 127.8 | 0 | 0 | 112.3 | F159 S160 T161 H168 | F159-E164 HydrophobicContact CB-CB 4.07Å; F159-E164 HydrophobicContact CD1-CB 3.84Å; F159-E164 HydrophobicContact CG-CB 4.31Å; S160-E164 WeakPolarHBondContact CB-OE2 3.28Å; S160-E164 PolarHBondContact N-OE2 2.99Å; S160-E164 PolarHBondContact OG-OE1 3.4Å; S160-E164 PolarHBondContact OG-OE2 3.09Å; T161-E164 WeakPolarHBondContact CB-OE2 3.49Å; T161-E164 PolarHBondContact N-OE2 3.21Å; T161-E164 PolarHBondContact O-N 2.47Å; T161-E164 VanDerWaalsContact OG1-CD 3.27Å; T161-E164 VanDerWaalsContact OG1-CG 3.22Å; T161-E164 WeakPolarHBondContact OG1-CG 3.29Å; T161-E164 PolarHBondContact OG1-N 3.28Å; T161-E164 PolarHBondContact OG1-OE2 3.31Å; E164-H168 VanDerWaalsContact O-CB 3.25Å; E164-H168 WeakPolarHBondContact O-CB 3.24Å; E164-H168 PolarHBondContact O-N 3.18Å |
| 165 | W | 71.9 | Confident | 67.5 | Low | 82 Ų | 82 | 67.1 Ų | 67.1 | 31% | 0.311 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68 | -38.2 | 175.9 | -177 | 92.6 | 0 | 0 | 0 | 112.2 | L150 Q151 F159 T161 L162 H168 I169 | L150-W165 HydrophobicContact CB-CB 4.15Å; L150-W165 HydrophobicContact CB-CG 4.03Å; L150-W165 HydrophobicContact CD1-CB 4.2Å; Q151-W165 PolarHBondContact O-NE1 2.62Å; Q151-W165 VanDerWaalsContact O-NE1 3.12Å; F159-W165 HydrophobicContact CB-CB 4.1Å; F159-W165 HydrophobicContact CD2-CB 4.16Å; F159-W165 AromaticContact CD2-CD1 3.86Å; F159-W165 HydrophobicContact CD2-CG 4.4Å; F159-W165 HydrophobicContact CG-CB 4.23Å; T161-W165 PolarHBondContact O-N 3.44Å; L162-W165 HydrophobicContact CD1-CE3 4.17Å; L162-W165 HydrophobicContact CD1-CZ3 4.47Å; L162-W165 PolarHBondContact O-N 3.42Å; W165-H168 WeakPolarHBondContact O-CB 3.43Å; W165-H168 PolarHBondContact O-N 3.21Å; W165-I169 HydrophobicContact CD2-CD1 3.86Å; W165-I169 HydrophobicContact CE3-CD1 3.86Å; W165-I169 HydrophobicContact CH2-CD1 3.49Å; W165-I169 VanDerWaalsContact CH2-CD1 3.49Å; W165-I169 HydrophobicContact CZ2-CD1 3.48Å; W165-I169 VanDerWaalsContact CZ2-CD1 3.48Å; W165-I169 HydrophobicContact CZ3-CD1 3.68Å; W165-I169 PolarHBondContact O-N 2.75Å |
| 166 | G | 67.1 | Low | 68 | Low | 31 Ų | 31 | 67 Ų | 67 | 32% | 0.32 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.3 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L162 L163 H168 I169 K170 | L162-G166 PolarHBondContact O-N 2.59Å; L163-G166 PolarHBondContact O-N 2.44Å; G166-H168 VanDerWaalsContact C-N 3.32Å; G166-H168 PolarHBondContact O-N 3.27Å; G166-I169 PolarHBondContact O-N 3.05Å; G166-K170 WeakPolarHBondContact O-CB 3.38Å; G166-K170 PolarHBondContact O-N 3.2Å |
| 167 | E | 73.5 | Confident | 68.5 | Low | 86 Ų | 86 | 62.1 Ų | 62.1 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.2 | -45.6 | 169.3 | -79.7 | -81.1 | 104.5 | 0 | 0 | 110.6 | L163 I169 K170 L171 | L163-E167 WeakPolarHBondContact O-CB 3.41Å; L163-E167 WeakPolarHBondContact O-CG 3.39Å; L163-E167 PolarHBondContact O-N 2.71Å; E167-I169 PolarHBondContact O-N 3.04Å; E167-K170 PolarHBondContact O-N 2.81Å; E167-K170 IonicContact OE1-NZ 2.67Å; E167-K170 PolarHBondContact OE1-NZ 3.47Å; E167-L171 VanDerWaalsContact O-CB 3.28Å; E167-L171 WeakPolarHBondContact O-CB 3.49Å; E167-L171 WeakPolarHBondContact O-CG 3.23Å; E167-L171 PolarHBondContact O-N 2.84Å |
| 168 | H | 73.7 | Confident | 69.2 | Low | 21 Ų | 21 | 60.7 Ų | 60.7 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 175.9 | 175.7 | 77.2 | 0 | 0 | 0 | 112.7 | C152 C155 F159 E164 W165 G166 L171 N172 C225 | C152-H168 PolarHBondContact SG-NE2 2.63Å; C155-H168 PolarHBondContact SG-CE1 3.17Å; C155-H168 PolarHBondContact SG-NE2 3.18Å; F159-H168 HydrophobicContact CE1-CB 3.92Å; F159-H168 HydrophobicContact CE2-CB 4.04Å; F159-H168 AromaticContact CE2-CD2 3.88Å; F159-H168 AromaticContact CE2-CG 3.77Å; F159-H168 HydrophobicContact CZ-CB 3.55Å; F159-H168 AromaticContact CZ-CD2 3.88Å; F159-H168 AromaticContact CZ-CG 3.33Å; F159-H168 AromaticContact CZ-ND1 3.49Å; F159-H168 WeakPolarHBondContact CZ-ND1 3.28Å; E164-H168 VanDerWaalsContact O-CB 3.25Å; E164-H168 WeakPolarHBondContact O-CB 3.24Å; E164-H168 PolarHBondContact O-N 3.18Å; W165-H168 WeakPolarHBondContact O-CB 3.43Å; W165-H168 PolarHBondContact O-N 3.21Å; G166-H168 VanDerWaalsContact C-N 3.32Å; G166-H168 PolarHBondContact O-N 3.27Å; H168-L171 PolarHBondContact O-N 3.46Å; H168-N172 PolarHBondContact ND1-ND2 3.34Å; H168-N172 WeakPolarHBondContact O-CB 3.41Å; H168-N172 PolarHBondContact O-N 3.39Å; H168-N172 PolarHBondContact O-ND2 3.33Å; H168-C225 WeakPolarHBondContact CE1-CB 3.33Å; H168-C225 WeakPolarHBondContact NE2-CB 3.42Å; H168-C225 PolarHBondContact NE2-SG 2.97Å; H168-C225 VanDerWaalsContact NE2-SG 3.41Å |
| 169 | I | 68.3 | Low | 69.8 | Low | 39 Ų | 39 | 57.3 Ų | 57.3 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 177.6 | -75 | 176.4 | 0 | 0 | 0 | 111.1 | W165 G166 E167 L171 N172 I173 L223 | W165-I169 HydrophobicContact CD2-CD1 3.86Å; W165-I169 HydrophobicContact CE3-CD1 3.86Å; W165-I169 HydrophobicContact CH2-CD1 3.49Å; W165-I169 VanDerWaalsContact CH2-CD1 3.49Å; W165-I169 HydrophobicContact CZ2-CD1 3.48Å; W165-I169 VanDerWaalsContact CZ2-CD1 3.48Å; W165-I169 HydrophobicContact CZ3-CD1 3.68Å; W165-I169 PolarHBondContact O-N 2.75Å; G166-I169 PolarHBondContact O-N 3.05Å; E167-I169 PolarHBondContact O-N 3.04Å; I169-L171 VanDerWaalsContact C-N 3.32Å; I169-L171 PolarHBondContact O-N 3.02Å; I169-N172 CarbonylContact O-C 3.6Å; I169-N172 PolarHBondContact O-N 3.12Å; I169-N172 VanDerWaalsContact O-N 3.13Å; I169-I173 HydrophobicContact CG2-CD1 3.68Å; I169-I173 HydrophobicContact CG2-CG1 4.16Å; I169-I173 WeakPolarHBondContact O-CG1 3.4Å; I169-I173 PolarHBondContact O-N 2.92Å; I169-L223 HydrophobicContact CB-CD1 4.48Å; I169-L223 HydrophobicContact CG1-CD1 4.39Å; I169-L223 HydrophobicContact CG2-CD1 4.31Å |
| 170 | K | 68.2 | Low | 70.2 | Confident | 150 Ų | 150 | 58.6 Ų | 58.6 | 65% | 0.652 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61 | -37.9 | 178.7 | 180 | -177.8 | 163.5 | -155 | 0 | 112.6 | G166 E167 N172 | G166-K170 WeakPolarHBondContact O-CB 3.38Å; G166-K170 PolarHBondContact O-N 3.2Å; E167-K170 PolarHBondContact O-N 2.81Å; E167-K170 IonicContact OE1-NZ 2.67Å; E167-K170 PolarHBondContact OE1-NZ 3.47Å; K170-N172 VanDerWaalsContact C-N 3.34Å |
| 171 | L | 67.6 | Low | 70.9 | Confident | 72 Ų | 72 | 57 Ų | 57 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.3 | -19.3 | 176.3 | -73.3 | 172.3 | 0 | 0 | 0 | 114.2 | E167 H168 I169 A233 | E167-L171 VanDerWaalsContact O-CB 3.28Å; E167-L171 WeakPolarHBondContact O-CB 3.49Å; E167-L171 WeakPolarHBondContact O-CG 3.23Å; E167-L171 PolarHBondContact O-N 2.84Å; H168-L171 PolarHBondContact O-N 3.46Å; I169-L171 VanDerWaalsContact C-N 3.32Å; I169-L171 PolarHBondContact O-N 3.02Å; L171-A233 HydrophobicContact CD2-CB 3.78Å |
| 172 | N | 64.5 | Low | 71.2 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -116.2 | -0.6 | -174.4 | -70.5 | -86.1 | 0 | 0 | 0 | 114.1 | H168 I169 K170 L223 I224 C225 L228 | H168-N172 PolarHBondContact ND1-ND2 3.34Å; H168-N172 WeakPolarHBondContact O-CB 3.41Å; H168-N172 PolarHBondContact O-N 3.39Å; H168-N172 PolarHBondContact O-ND2 3.33Å; I169-N172 CarbonylContact O-C 3.6Å; I169-N172 PolarHBondContact O-N 3.12Å; I169-N172 VanDerWaalsContact O-N 3.13Å; K170-N172 VanDerWaalsContact C-N 3.34Å; N172-L223 HydrophobicContact CB-CD1 3.9Å; N172-I224 PolarHBondContact O-N 2.72Å; N172-C225 HydrophobicContact CB-CB 3.71Å; N172-C225 VanDerWaalsContact CG-CB 3.44Å; N172-C225 VanDerWaalsContact OD1-CA 3.24Å; N172-C225 WeakPolarHBondContact OD1-CA 3.23Å; N172-C225 WeakPolarHBondContact OD1-CB 3.23Å; N172-L228 VanDerWaalsContact OD1-CB 3.23Å; N172-L228 WeakPolarHBondContact OD1-CB 3.33Å |
| 173 | I | 66 | Low | 71.5 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 124.7 | 168.3 | -87.2 | 175.7 | 0 | 0 | 0 | 109.4 | I169 T221 L223 | I169-I173 HydrophobicContact CG2-CD1 3.68Å; I169-I173 HydrophobicContact CG2-CG1 4.16Å; I169-I173 WeakPolarHBondContact O-CG1 3.4Å; I169-I173 PolarHBondContact O-N 2.92Å; I173-T221 HydrophobicContact CG2-CG2 4.18Å; I173-L223 HydrophobicContact CG1-CD1 4.04Å |
| 174 | C | 65.2 | Low | 71.9 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 25% | 0.25 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125 | 170.4 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | T221 E222 I224 | C174-T221 WeakPolarHBondContact O-CA 3.09Å; C174-E222 PolarHBondContact N-O 2.89Å; C174-E222 PolarHBondContact O-N 2.74Å; C174-I224 HydrophobicContact CB-CD1 3.61Å; C174-I224 HydrophobicContact CB-CG1 4.12Å |
| 175 | S | 67.7 | Low | 72.5 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.3 | 168.2 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | P189 | S175-P189 WeakPolarHBondContact O-CA 3.35Å |
| 176 | L | 74.1 | Confident | 72.9 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 11% | 0.105 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.4 | 175.4 | -66.7 | 175.5 | 0 | 0 | 0 | 110 | K187 P189 T220 E222 | L176-K187 HydrophobicContact CD1-CD 4.29Å; L176-P189 HydrophobicContact CD2-CB 4.07Å; L176-T220 PolarHBondContact N-O 2.7Å; L176-T220 PolarHBondContact O-N 3.5Å; L176-T220 PolarHBondContact O-OG1 3.11Å; L176-E222 HydrophobicContact CD1-CB 4.22Å; L176-E222 VanDerWaalsContact CD1-CD 3.41Å; L176-E222 HydrophobicContact CD1-CG 4.08Å; L176-E222 WeakPolarHBondContact CD1-OE2 3.24Å |
| 177 | V | 80.6 | Confident | 73.6 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.8 | 170.8 | -168.1 | 0 | 0 | 0 | 0 | 108.6 | K187 S188 R191 I194 F217 G218 E219 | V177-K187 CarbonylContact O-C 3.53Å; V177-K187 WeakPolarHBondContact O-CA 3.42Å; V177-S188 PolarHBondContact N-O 2.87Å; V177-S188 PolarHBondContact O-N 3.28Å; V177-S188 VanDerWaalsContact O-O 3.14Å; V177-R191 HydrophobicContact CG1-CG 4.3Å; V177-R191 HydrophobicContact CG2-CB 3.94Å; V177-R191 HydrophobicContact CG2-CG 4.4Å; V177-I194 HydrophobicContact CB-CG1 3.95Å; V177-I194 HydrophobicContact CG1-CB 4.29Å; V177-I194 HydrophobicContact CG1-CG1 3.92Å; V177-I194 WeakPolarHBondContact O-CG1 3.21Å; V177-F217 HydrophobicContact CG1-CB 3.88Å; V177-F217 HydrophobicContact CG1-CG 4.5Å; V177-G218 CarbonylContact C-O 3.54Å; V177-G218 WeakPolarHBondContact CA-O 3.26Å; V177-E219 HydrophobicContact CG1-CG 4.29Å; V177-E219 HydrophobicContact CG2-CG 4.18Å |
| 178 | H | 83 | Confident | 73.7 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.5 | 179.5 | 65.7 | -102.9 | 0 | 0 | 0 | 111.7 | V186 K187 F217 G218 T220 | H178-V186 WeakPolarHBondContact CA-O 3.25Å; H178-K187 HydrophobicContact CB-CG 4.01Å; H178-F217 WeakPolarHBondContact O-CA 3.07Å; H178-G218 PolarHBondContact N-O 3.43Å; H178-G218 PolarHBondContact ND1-O 2.72Å; H178-G218 PolarHBondContact O-N 2.99Å; H178-T220 PolarHBondContact ND1-OG1 3.23Å |
| 179 | C | 83.7 | Confident | 73.5 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 125.8 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | F181 C184 V186 I194 H202 | C179-F181 VanDerWaalsContact C-N 3.29Å; C179-F181 PolarHBondContact O-N 3.22Å; C179-C184 HydrophobicContact CB-CB 4.23Å; C179-V186 PolarHBondContact N-O 3.04Å; C179-I194 HydrophobicContact CB-CG2 3.97Å; C179-H202 PolarHBondContact SG-NE2 3.16Å |
| 180 | T | 80 | Confident | 73.8 | Confident | 62 Ų | 62 | 62 Ų | 62 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | trans | -81.5 | -4.4 | -179.1 | 57.9 | 0 | 0 | 0 | 0 | 114 | Q215 L216 | T180-Q215 PolarHBondContact OG1-O 2.82Å; T180-L216 PolarHBondContact N-O 3.22Å; T180-L216 VanDerWaalsContact OG1-CA 3.29Å; T180-L216 WeakPolarHBondContact OG1-CA 3Å; T180-L216 PolarHBondContact OG1-O 3.39Å; T180-L216 VanDerWaalsContact OG1-O 3.13Å | ||
| 181 | F | 75.9 | Confident | 74.2 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 25% | 0.254 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -62.4 | 130.9 | -174.8 | -167.9 | -85.8 | 0 | 0 | 0 | 111.1 | C179 G183 C184 H202 | C179-F181 VanDerWaalsContact C-N 3.29Å; C179-F181 PolarHBondContact O-N 3.22Å; F181-G183 PolarHBondContact O-N 3.45Å; F181-G183 VanDerWaalsContact O-N 3.11Å; F181-C184 HydrophobicContact CB-CB 4.11Å; F181-C184 VanDerWaalsContact O-CB 3.25Å; F181-C184 WeakPolarHBondContact O-CB 3.35Å; F181-C184 PolarHBondContact O-N 2.86Å; F181-H202 AromaticContact CD1-CE1 3.68Å; F181-H202 AromaticContact CD1-ND1 3.48Å; F181-H202 WeakPolarHBondContact CD1-ND1 3.35Å; F181-H202 HydrophobicContact CD2-CB 3.87Å; F181-H202 AromaticContact CD2-CG 3.78Å; F181-H202 AromaticContact CD2-ND1 3.97Å; F181-H202 AromaticContact CE1-ND1 3.85Å; F181-H202 HydrophobicContact CE2-CB 4.09Å; F181-H202 HydrophobicContact CG-CB 4.29Å; F181-H202 AromaticContact CG-CE1 3.8Å; F181-H202 AromaticContact CG-CG 3.68Å; F181-H202 AromaticContact CG-ND1 3.55Å |
| 182 | P | 69.4 | Low | 74.6 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 60% | 0.597 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 116.9 | -174 | -28.5 | 35.9 | 0 | 0 | 0 | 113.9 | ||
| 183 | G | 66.4 | Low | 75.3 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 67% | 0.67 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 6.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F181 F185 | F181-G183 PolarHBondContact O-N 3.45Å; F181-G183 VanDerWaalsContact O-N 3.11Å; G183-F185 WeakPolarHBondContact O-CD2 3.42Å; G183-F185 WeakPolarHBondContact O-CE2 3.46Å |
| 184 | C | 76.5 | Confident | 76 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | trans | -84.1 | 142.7 | 163.7 | -166 | 0 | 0 | 0 | 0 | 110.7 | C179 F181 H197 | C179-C184 HydrophobicContact CB-CB 4.23Å; F181-C184 HydrophobicContact CB-CB 4.11Å; F181-C184 VanDerWaalsContact O-CB 3.25Å; F181-C184 WeakPolarHBondContact O-CB 3.35Å; F181-C184 PolarHBondContact O-N 2.86Å; C184-H197 VanDerWaalsContact SG-CE1 3.52Å; C184-H197 PolarHBondContact SG-NE2 2.76Å | ||
| 185 | F | 79 | Confident | 76.3 | Confident | 189 Ų | 189 | 61.8 Ų | 61.8 | 83% | 0.829 | 35% | 0.348 | S | S | * | . | trans | -127.3 | 19.5 | -179.4 | -59.7 | -80.2 | 0 | 0 | 0 | 112.5 | G183 K187 | G183-F185 WeakPolarHBondContact O-CD2 3.42Å; G183-F185 WeakPolarHBondContact O-CE2 3.46Å; F185-K187 PolarHBondContact O-N 3.08Å | ||
| 186 | V | 80.1 | Confident | 76.7 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 35% | 0.345 | 34% | 0.34 | S | S | . | . | trans | -82.8 | 112.6 | -176.9 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | H178 C179 I194 | H178-V186 WeakPolarHBondContact CA-O 3.25Å; C179-V186 PolarHBondContact N-O 3.04Å; V186-I194 HydrophobicContact CG1-CD1 3.77Å | ||
| 187 | K | 81.3 | Confident | 77.1 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 153.7 | 163.6 | -63.3 | -169.2 | 172 | -178.6 | 0 | 110.3 | L176 V177 H178 F185 E222 | L176-K187 HydrophobicContact CD1-CD 4.29Å; V177-K187 CarbonylContact O-C 3.53Å; V177-K187 WeakPolarHBondContact O-CA 3.42Å; H178-K187 HydrophobicContact CB-CG 4.01Å; F185-K187 PolarHBondContact O-N 3.08Å; K187-E222 IonicContact NZ-OE1 2.81Å; K187-E222 PolarHBondContact NZ-OE1 3.07Å |
| 188 | S | 76.7 | Confident | 76.8 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 8% | 0.077 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 140.5 | 174.7 | 166.6 | 0 | 0 | 0 | 0 | 110.3 | V177 S190 L193 I194 | V177-S188 PolarHBondContact N-O 2.87Å; V177-S188 PolarHBondContact O-N 3.28Å; V177-S188 VanDerWaalsContact O-O 3.14Å; S188-S190 PolarHBondContact O-N 2.88Å; S188-S190 WeakPolarHBondContact OG-CA 3.22Å; S188-S190 PolarHBondContact OG-N 3.17Å; S188-S190 PolarHBondContact OG-O 3.32Å; S188-L193 WeakPolarHBondContact OG-CB 3.38Å; S188-I194 VanDerWaalsContact CB-CD1 3.5Å |
| 189 | P | 70.4 | Confident | 76.4 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -67.4 | -19.4 | 169.7 | 29.3 | -34.8 | 0 | 0 | 0 | 112.6 | S175 L176 | S175-P189 WeakPolarHBondContact O-CA 3.35Å; L176-P189 HydrophobicContact CD2-CB 4.07Å |
| 190 | S | 74.5 | Confident | 76 | Confident | 34 Ų | 34 | 74.7 Ų | 74.7 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | trans | -95.9 | 119.5 | 174.3 | 162.9 | 0 | 0 | 0 | 0 | 111.6 | S188 T192 L193 I194 | S188-S190 PolarHBondContact O-N 2.88Å; S188-S190 WeakPolarHBondContact OG-CA 3.22Å; S188-S190 PolarHBondContact OG-N 3.17Å; S188-S190 PolarHBondContact OG-O 3.32Å; S190-T192 VanDerWaalsContact C-N 3.28Å; S190-T192 PolarHBondContact O-N 3.26Å; S190-T192 PolarHBondContact OG-N 3.24Å; S190-T192 PolarHBondContact OG-OG1 3.31Å; S190-L193 PolarHBondContact O-N 3.44Å; S190-L193 PolarHBondContact OG-N 3.38Å; S190-I194 PolarHBondContact O-N 3.37Å | ||
| 191 | R | 75.9 | Confident | 75.8 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.2 | -36 | 167.9 | -166.7 | 165.2 | 171.9 | 122.4 | -3.6 | 112.1 | V177 L193 I194 L195 E219 | V177-R191 HydrophobicContact CG1-CG 4.3Å; V177-R191 HydrophobicContact CG2-CB 3.94Å; V177-R191 HydrophobicContact CG2-CG 4.4Å; R191-L193 PolarHBondContact O-N 3.47Å; R191-I194 PolarHBondContact O-N 2.92Å; R191-L195 HydrophobicContact CG-CD1 4.38Å; R191-L195 PolarHBondContact O-N 2.92Å; R191-E219 IonicContact CZ-OE1 2.72Å; R191-E219 IonicContact NH1-OE1 3.22Å; R191-E219 PolarHBondContact NH1-OE1 2.79Å |
| 192 | T | 76.4 | Confident | 75.8 | Confident | 99 Ų | 99 | 77 Ų | 77 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65 | -35.1 | 176.6 | 23.9 | 0 | 0 | 0 | 0 | 112.9 | S190 L195 D196 | S190-T192 VanDerWaalsContact C-N 3.28Å; S190-T192 PolarHBondContact O-N 3.26Å; S190-T192 PolarHBondContact OG-N 3.24Å; S190-T192 PolarHBondContact OG-OG1 3.31Å; T192-L195 PolarHBondContact O-N 3.03Å; T192-D196 WeakPolarHBondContact O-CB 3.44Å; T192-D196 PolarHBondContact O-N 3.23Å |
| 193 | L | 77.8 | Confident | 75.6 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.5 | -34.5 | 172.5 | -70.5 | -179.3 | 0 | 0 | 0 | 112.7 | S188 S190 R191 D196 H197 | S188-L193 WeakPolarHBondContact OG-CB 3.38Å; S190-L193 PolarHBondContact O-N 3.44Å; S190-L193 PolarHBondContact OG-N 3.38Å; R191-L193 PolarHBondContact O-N 3.47Å; L193-D196 PolarHBondContact O-N 2.97Å; L193-H197 VanDerWaalsContact O-CB 3.27Å; L193-H197 WeakPolarHBondContact O-CB 3.33Å; L193-H197 PolarHBondContact O-N 2.8Å |
| 194 | I | 81 | Confident | 75.1 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.8 | -39.5 | 171.7 | -54.9 | -58.3 | 0 | 0 | 0 | 111 | V177 C179 V186 S188 S190 R191 D196 H197 F198 F217 | V177-I194 HydrophobicContact CB-CG1 3.95Å; V177-I194 HydrophobicContact CG1-CB 4.29Å; V177-I194 HydrophobicContact CG1-CG1 3.92Å; V177-I194 WeakPolarHBondContact O-CG1 3.21Å; C179-I194 HydrophobicContact CB-CG2 3.97Å; V186-I194 HydrophobicContact CG1-CD1 3.77Å; S188-I194 VanDerWaalsContact CB-CD1 3.5Å; S190-I194 PolarHBondContact O-N 3.37Å; R191-I194 PolarHBondContact O-N 2.92Å; I194-D196 VanDerWaalsContact C-N 3.33Å; I194-D196 PolarHBondContact O-N 2.95Å; I194-H197 PolarHBondContact O-N 2.77Å; I194-F198 VanDerWaalsContact O-CB 3.3Å; I194-F198 WeakPolarHBondContact O-CB 3.41Å; I194-F198 PolarHBondContact O-N 3.12Å; I194-F217 HydrophobicContact CB-CD1 4.23Å; I194-F217 HydrophobicContact CG2-CD1 3.46Å; I194-F217 VanDerWaalsContact CG2-CD1 3.46Å; I194-F217 HydrophobicContact CG2-CE1 3.8Å |
| 195 | L | 72.1 | Confident | 74 | Confident | 63 Ų | 63 | 83.3 Ų | 83.3 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 173.3 | -84.7 | 158.3 | 0 | 0 | 0 | 113 | R191 T192 R199 F217 | R191-L195 HydrophobicContact CG-CD1 4.38Å; R191-L195 PolarHBondContact O-N 2.92Å; T192-L195 PolarHBondContact O-N 3.03Å; L195-R199 WeakPolarHBondContact O-CG 3.43Å; L195-R199 PolarHBondContact O-N 3.11Å; L195-R199 PolarHBondContact O-NE 3.29Å; L195-F217 HydrophobicContact CD2-CE1 4.34Å; L195-F217 HydrophobicContact CD2-CE2 3.86Å; L195-F217 HydrophobicContact CD2-CZ 3.41Å; L195-F217 VanDerWaalsContact CD2-CZ 3.41Å; L195-F217 HydrophobicContact CG-CE1 4.28Å; L195-F217 HydrophobicContact CG-CE2 4.18Å; L195-F217 HydrophobicContact CG-CZ 3.73Å |
| 196 | D | 76 | Confident | 72.6 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 24% | 0.235 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.8 | -47.7 | 172.7 | 174.8 | 71.6 | 0 | 0 | 0 | 112 | T192 L193 I194 F198 R199 R200 | T192-D196 WeakPolarHBondContact O-CB 3.44Å; T192-D196 PolarHBondContact O-N 3.23Å; L193-D196 PolarHBondContact O-N 2.97Å; I194-D196 VanDerWaalsContact C-N 3.33Å; I194-D196 PolarHBondContact O-N 2.95Å; D196-F198 VanDerWaalsContact C-N 3.29Å; D196-F198 PolarHBondContact O-N 3.23Å; D196-R199 CarbonylContact O-C 3.47Å; D196-R199 PolarHBondContact O-N 3.36Å; D196-R200 WeakPolarHBondContact O-CG 3.47Å; D196-R200 PolarHBondContact O-N 3.26Å; D196-R200 IonicContact OD1-CZ 3.12Å; D196-R200 VanDerWaalsContact OD1-CZ 3.22Å; D196-R200 IonicContact OD1-NE 2.92Å; D196-R200 PolarHBondContact OD1-NE 3.3Å; D196-R200 IonicContact OD1-NH2 3.78Å; D196-R200 PolarHBondContact OD1-NH2 3.41Å; D196-R200 IonicContact OD2-CZ 3.63Å; D196-R200 IonicContact OD2-NE 2.7Å; D196-R200 PolarHBondContact OD2-NE 3.25Å; D196-R200 IonicContact OD2-NH1 3.26Å; D196-R200 IonicContact OD2-NH2 2.74Å; D196-R200 PolarHBondContact OD2-NH2 3.34Å |
| 197 | H | 81.9 | Confident | 70.9 | Confident | 29 Ų | 29 | 83.1 Ų | 83.1 | 13% | 0.134 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -52 | -46.8 | 172.2 | 159.3 | 73.7 | 0 | 0 | 0 | 112 | C184 L193 I194 R199 R200 K201 H202 | C184-H197 VanDerWaalsContact SG-CE1 3.52Å; C184-H197 PolarHBondContact SG-NE2 2.76Å; L193-H197 VanDerWaalsContact O-CB 3.27Å; L193-H197 WeakPolarHBondContact O-CB 3.33Å; L193-H197 PolarHBondContact O-N 2.8Å; I194-H197 PolarHBondContact O-N 2.77Å; H197-R199 PolarHBondContact O-N 3.08Å; H197-R200 CarbonylContact O-C 3.11Å; H197-R200 PolarHBondContact O-N 2.96Å; H197-K201 WeakPolarHBondContact O-CB 3.18Å; H197-K201 PolarHBondContact O-N 3.46Å; H197-H202 AromaticContact CD2-NE2 3.95Å; H197-H202 AromaticContact CE1-NE2 3.64Å; H197-H202 AromaticContact NE2-CD2 3.71Å; H197-H202 AromaticContact NE2-CE1 3.97Å; H197-H202 AromaticContact NE2-NE2 2.97Å; H197-H202 PolarHBondContact NE2-NE2 3.34Å |
| 198 | F | 74.1 | Confident | 69.2 | Low | 23 Ų | 23 | 82.9 Ų | 82.9 | 10% | 0.101 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 179.7 | -161.5 | -78.8 | 0 | 0 | 0 | 110.9 | I194 D196 R200 K201 H202 L206 L216 F217 | I194-F198 VanDerWaalsContact O-CB 3.3Å; I194-F198 WeakPolarHBondContact O-CB 3.41Å; I194-F198 PolarHBondContact O-N 3.12Å; D196-F198 VanDerWaalsContact C-N 3.29Å; D196-F198 PolarHBondContact O-N 3.23Å; F198-R200 PolarHBondContact O-N 2.82Å; F198-K201 PolarHBondContact O-N 2.8Å; F198-H202 HydrophobicContact CD1-CB 4.2Å; F198-H202 HydrophobicContact CD2-CB 4.29Å; F198-H202 AromaticContact CD2-CD2 3.65Å; F198-H202 HydrophobicContact CE1-CB 3.95Å; F198-H202 HydrophobicContact CE2-CB 4.05Å; F198-H202 AromaticContact CE2-CD2 3.92Å; F198-H202 HydrophobicContact CG-CB 4.34Å; F198-H202 HydrophobicContact CZ-CB 3.85Å; F198-H202 PolarHBondContact O-N 3.36Å; F198-L206 HydrophobicContact CE1-CD1 4.01Å; F198-L206 HydrophobicContact CZ-CD1 3.66Å; F198-L216 HydrophobicContact CD2-CB 4.38Å; F198-L216 HydrophobicContact CE1-CD1 4.16Å; F198-L216 HydrophobicContact CE2-CB 4.03Å; F198-L216 HydrophobicContact CE2-CD1 4.42Å; F198-L216 HydrophobicContact CE2-CD2 4.04Å; F198-L216 HydrophobicContact CE2-CG 4.38Å; F198-L216 HydrophobicContact CZ-CB 4.46Å; F198-L216 HydrophobicContact CZ-CD1 4.07Å; F198-L216 HydrophobicContact CZ-CD2 3.78Å; F198-L216 HydrophobicContact CZ-CG 4.32Å; F198-F217 HydrophobicContact CB-CE1 4.47Å; F198-F217 HydrophobicContact CD2-CE1 4.37Å |
| 199 | R | 74.2 | Confident | 67.5 | Low | 160 Ų | 160 | 91.3 Ų | 91.3 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.1 | -9.6 | 174.2 | -73.5 | 177.5 | -70 | 169.3 | 0.8 | 114.8 | L195 D196 H197 T203 | L195-R199 WeakPolarHBondContact O-CG 3.43Å; L195-R199 PolarHBondContact O-N 3.11Å; L195-R199 PolarHBondContact O-NE 3.29Å; D196-R199 CarbonylContact O-C 3.47Å; D196-R199 PolarHBondContact O-N 3.36Å; H197-R199 PolarHBondContact O-N 3.08Å; R199-T203 VanDerWaalsContact O-CG2 3.29Å; R199-T203 WeakPolarHBondContact O-CG2 3.31Å |
| 200 | R | 75.4 | Confident | 66 | Low | 159 Ų | 159 | 98.1 Ų | 98.1 | 60% | 0.6 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -109.4 | -6.5 | 176.8 | -68.2 | -179.5 | -165.5 | -160.2 | 13 | 114.4 | D196 H197 F198 | D196-R200 WeakPolarHBondContact O-CG 3.47Å; D196-R200 PolarHBondContact O-N 3.26Å; D196-R200 IonicContact OD1-CZ 3.12Å; D196-R200 VanDerWaalsContact OD1-CZ 3.22Å; D196-R200 IonicContact OD1-NE 2.92Å; D196-R200 PolarHBondContact OD1-NE 3.3Å; D196-R200 IonicContact OD1-NH2 3.78Å; D196-R200 PolarHBondContact OD1-NH2 3.41Å; D196-R200 IonicContact OD2-CZ 3.63Å; D196-R200 IonicContact OD2-NE 2.7Å; D196-R200 PolarHBondContact OD2-NE 3.25Å; D196-R200 IonicContact OD2-NH1 3.26Å; D196-R200 IonicContact OD2-NH2 2.74Å; D196-R200 PolarHBondContact OD2-NH2 3.34Å; H197-R200 CarbonylContact O-C 3.11Å; H197-R200 PolarHBondContact O-N 2.96Å; F198-R200 PolarHBondContact O-N 2.82Å |
| 201 | K | 75.8 | Confident | 64.4 | Low | 149 Ų | 149 | 103.3 Ų | 103.3 | 65% | 0.648 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -139.1 | -26 | -171.7 | -66.6 | -63.5 | 166.4 | -153.7 | 0 | 116.4 | H197 F198 | H197-K201 WeakPolarHBondContact O-CB 3.18Å; H197-K201 PolarHBondContact O-N 3.46Å; F198-K201 PolarHBondContact O-N 2.8Å |
| 202 | H | 77 | Confident | 62.9 | Low | 20 Ų | 20 | 101.5 Ų | 101.5 | 9% | 0.093 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -122.7 | 16.1 | -173 | -49.8 | -47.7 | 0 | 0 | 0 | 113.1 | C179 F181 H197 F198 D204 | C179-H202 PolarHBondContact SG-NE2 3.16Å; F181-H202 AromaticContact CD1-CE1 3.68Å; F181-H202 AromaticContact CD1-ND1 3.48Å; F181-H202 WeakPolarHBondContact CD1-ND1 3.35Å; F181-H202 HydrophobicContact CD2-CB 3.87Å; F181-H202 AromaticContact CD2-CG 3.78Å; F181-H202 AromaticContact CD2-ND1 3.97Å; F181-H202 AromaticContact CE1-ND1 3.85Å; F181-H202 HydrophobicContact CE2-CB 4.09Å; F181-H202 HydrophobicContact CG-CB 4.29Å; F181-H202 AromaticContact CG-CE1 3.8Å; F181-H202 AromaticContact CG-CG 3.68Å; F181-H202 AromaticContact CG-ND1 3.55Å; H197-H202 AromaticContact CD2-NE2 3.95Å; H197-H202 AromaticContact CE1-NE2 3.64Å; H197-H202 AromaticContact NE2-CD2 3.71Å; H197-H202 AromaticContact NE2-CE1 3.97Å; H197-H202 AromaticContact NE2-NE2 2.97Å; H197-H202 PolarHBondContact NE2-NE2 3.34Å; F198-H202 HydrophobicContact CD1-CB 4.2Å; F198-H202 HydrophobicContact CD2-CB 4.29Å; F198-H202 AromaticContact CD2-CD2 3.65Å; F198-H202 HydrophobicContact CE1-CB 3.95Å; F198-H202 HydrophobicContact CE2-CB 4.05Å; F198-H202 AromaticContact CE2-CD2 3.92Å; F198-H202 HydrophobicContact CG-CB 4.34Å; F198-H202 HydrophobicContact CZ-CB 3.85Å; F198-H202 PolarHBondContact O-N 3.36Å; H202-D204 VanDerWaalsContact C-N 3.27Å; H202-D204 PolarHBondContact O-N 3.49Å |
| 203 | T | 64.9 | Low | 61.3 | Low | 85 Ų | 85 | 99.7 Ų | 99.7 | 52% | 0.521 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -57.7 | -37.9 | 177.3 | 37.6 | 0 | 0 | 0 | 0 | 113.2 | R199 S205 | R199-T203 VanDerWaalsContact O-CG2 3.29Å; R199-T203 WeakPolarHBondContact O-CG2 3.31Å; T203-S205 PolarHBondContact O-N 2.78Å |
| 204 | D | 56.9 | Low | 59.8 | Low | 156 Ų | 156 | 103.1 Ų | 103.1 | 83% | 0.834 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -82.4 | 11.1 | -163.8 | -49.5 | -0.1 | 0 | 0 | 0 | 112.8 | H202 | H202-D204 VanDerWaalsContact C-N 3.27Å; H202-D204 PolarHBondContact O-N 3.49Å |
| 205 | S | 52.8 | Low | 58.6 | Low | 72 Ų | 72 | 109.7 Ų | 109.7 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -137.3 | 3.7 | -163.6 | -171.1 | 0 | 0 | 0 | 0 | 115.6 | T203 | T203-S205 PolarHBondContact O-N 2.78Š|
| 206 | L | 48.5 | Very low | 57.9 | Low | 72 Ų | 72 | 108.7 Ų | 108.7 | 38% | 0.377 | 52% | 0.523 | S | S | . | . | trans | -138.1 | 100.5 | -178.3 | -74.7 | -177.5 | 0 | 0 | 0 | 114 | F198 L208 L216 | F198-L206 HydrophobicContact CE1-CD1 4.01Å; F198-L206 HydrophobicContact CZ-CD1 3.66Å; L206-L208 HydrophobicContact CB-CB 4.4Å; L206-L208 HydrophobicContact CD2-CB 4.28Å; L206-L208 HydrophobicContact CD2-CD1 4.19Å; L206-L208 HydrophobicContact CD2-CD2 4.22Å; L206-L208 HydrophobicContact CD2-CG 4.45Å; L206-L208 PolarHBondContact O-N 3.11Å; L206-L208 VanDerWaalsContact O-N 3.14Å; L206-L216 HydrophobicContact CD1-CD2 3.82Å | ||
| 207 | D | 45.3 | Very low | 57.5 | Low | 171 Ų | 171 | 107.4 Ų | 107.4 | 91% | 0.914 | 52% | 0.515 | S | S | * | . | trans | -80.2 | 28.8 | 164.8 | -137.8 | -10.7 | 0 | 0 | 0 | 111.7 | ||||
| 208 | L | 46.5 | Very low | 56.9 | Low | 107 Ų | 107 | 106.8 Ų | 106.8 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | trans | -93.5 | 125.1 | -164.6 | -111.2 | 70.7 | 0 | 0 | 0 | 113 | L206 | L206-L208 HydrophobicContact CB-CB 4.4Å; L206-L208 HydrophobicContact CD2-CB 4.28Å; L206-L208 HydrophobicContact CD2-CD1 4.19Å; L206-L208 HydrophobicContact CD2-CD2 4.22Å; L206-L208 HydrophobicContact CD2-CG 4.45Å; L206-L208 PolarHBondContact O-N 3.11Å; L206-L208 VanDerWaalsContact O-N 3.14Å | ||
| 209 | K | 39.7 | Very low | 56.8 | Low | 188 Ų | 188 | 110.7 Ų | 110.7 | 82% | 0.817 | 54% | 0.535 | S | S | * | . | trans | -58.8 | 140 | -179.7 | -64.2 | 174.6 | -179.1 | 176.3 | 0 | 112 | N211 | K209-N211 PolarHBondContact O-N 2.87Š| ||
| 210 | R | 40.3 | Very low | 56.5 | Low | 237 Ų | 237 | 105.4 Ų | 105.4 | 89% | 0.894 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -31.1 | -5.3 | -175.2 | -139.2 | 172.6 | -171.6 | 162.3 | -0.9 | 121.6 | ||
| 211 | N | 39.9 | Very low | 55.9 | Low | 143 Ų | 143 | 102.9 Ų | 102.9 | 77% | 0.765 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -113.2 | 13.4 | -161.6 | -64.6 | 25.7 | 0 | 0 | 0 | 115.1 | K209 | K209-N211 PolarHBondContact O-N 2.87Š|
| 212 | T | 43.5 | Very low | 55.1 | Low | 52 Ų | 52 | 99.3 Ų | 99.3 | 32% | 0.319 | 51% | 0.509 | S | S | . | . | trans | -120.3 | 32.4 | -173.7 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | F214 Q215 | T212-F214 PolarHBondContact O-N 3.09Å; T212-Q215 PolarHBondContact O-N 3.19Å | ||
| 213 | S | 44.1 | Very low | 54.3 | Low | 61 Ų | 61 | 100.7 Ų | 100.7 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.8 | -179.2 | 44 | 0 | 0 | 0 | 0 | 115.5 | F217 | S213-F217 WeakPolarHBondContact O-CD2 3.49Š|
| 214 | F | 45.8 | Very low | 54 | Low | 174 Ų | 174 | 99.8 Ų | 99.8 | 76% | 0.763 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -13.1 | 174.4 | -66.3 | -81.6 | 0 | 0 | 0 | 114.6 | T212 | T212-F214 PolarHBondContact O-N 3.09Š|
| 215 | Q | 55.1 | Low | 54.3 | Low | 139 Ų | 139 | 92.9 Ų | 92.9 | 65% | 0.65 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -92.9 | -9.3 | -179.1 | -72.1 | -173.5 | -13.9 | 0 | 0 | 114.2 | T180 T212 | T180-Q215 PolarHBondContact OG1-O 2.82Å; T212-Q215 PolarHBondContact O-N 3.19Å |
| 216 | L | 59 | Low | 53.9 | Low | 42 Ų | 42 | 94 Ų | 94 | 22% | 0.22 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -93.7 | -14.9 | -173.8 | -53.1 | -175.3 | 0 | 0 | 0 | 113.8 | T180 F198 L206 | T180-L216 PolarHBondContact N-O 3.22Å; T180-L216 VanDerWaalsContact OG1-CA 3.29Å; T180-L216 WeakPolarHBondContact OG1-CA 3Å; T180-L216 PolarHBondContact OG1-O 3.39Å; T180-L216 VanDerWaalsContact OG1-O 3.13Å; F198-L216 HydrophobicContact CD2-CB 4.38Å; F198-L216 HydrophobicContact CE1-CD1 4.16Å; F198-L216 HydrophobicContact CE2-CB 4.03Å; F198-L216 HydrophobicContact CE2-CD1 4.42Å; F198-L216 HydrophobicContact CE2-CD2 4.04Å; F198-L216 HydrophobicContact CE2-CG 4.38Å; F198-L216 HydrophobicContact CZ-CB 4.46Å; F198-L216 HydrophobicContact CZ-CD1 4.07Å; F198-L216 HydrophobicContact CZ-CD2 3.78Å; F198-L216 HydrophobicContact CZ-CG 4.32Å; L206-L216 HydrophobicContact CD1-CD2 3.82Å |
| 217 | F | 67.3 | Low | 53.8 | Low | 17 Ų | 17 | 99.2 Ų | 99.2 | 8% | 0.075 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 134.8 | -174.2 | -40.5 | -60.7 | 0 | 0 | 0 | 109 | V177 H178 I194 L195 F198 S213 | V177-F217 HydrophobicContact CG1-CB 3.88Å; V177-F217 HydrophobicContact CG1-CG 4.5Å; H178-F217 WeakPolarHBondContact O-CA 3.07Å; I194-F217 HydrophobicContact CB-CD1 4.23Å; I194-F217 HydrophobicContact CG2-CD1 3.46Å; I194-F217 VanDerWaalsContact CG2-CD1 3.46Å; I194-F217 HydrophobicContact CG2-CE1 3.8Å; L195-F217 HydrophobicContact CD2-CE1 4.34Å; L195-F217 HydrophobicContact CD2-CE2 3.86Å; L195-F217 HydrophobicContact CD2-CZ 3.41Å; L195-F217 VanDerWaalsContact CD2-CZ 3.41Å; L195-F217 HydrophobicContact CG-CE1 4.28Å; L195-F217 HydrophobicContact CG-CE2 4.18Å; L195-F217 HydrophobicContact CG-CZ 3.73Å; F198-F217 HydrophobicContact CB-CE1 4.47Å; F198-F217 HydrophobicContact CD2-CE1 4.37Å; S213-F217 WeakPolarHBondContact O-CD2 3.49Å |
| 218 | G | 69.2 | Low | 53.5 | Low | 16 Ų | 16 | 94 Ų | 94 | 17% | 0.165 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 158.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V177 H178 | V177-G218 CarbonylContact C-O 3.54Å; V177-G218 WeakPolarHBondContact CA-O 3.26Å; H178-G218 PolarHBondContact N-O 3.43Å; H178-G218 PolarHBondContact ND1-O 2.72Å; H178-G218 PolarHBondContact O-N 2.99Å |
| 219 | E | 71.2 | Confident | 52.8 | Low | 105 Ų | 105 | 93 Ų | 93 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 138.8 | -178.5 | -62 | -173.8 | 164.4 | 0 | 0 | 109.2 | V177 R191 | V177-E219 HydrophobicContact CG1-CG 4.29Å; V177-E219 HydrophobicContact CG2-CG 4.18Å; R191-E219 IonicContact CZ-OE1 2.72Å; R191-E219 IonicContact NH1-OE1 3.22Å; R191-E219 PolarHBondContact NH1-OE1 2.79Å |
| 220 | T | 68 | Low | 52.7 | Low | 49 Ų | 49 | 87.8 Ų | 87.8 | 30% | 0.301 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 121.8 | -173.5 | 33.5 | 0 | 0 | 0 | 0 | 108.5 | L176 H178 | L176-T220 PolarHBondContact N-O 2.7Å; L176-T220 PolarHBondContact O-N 3.5Å; L176-T220 PolarHBondContact O-OG1 3.11Å; H178-T220 PolarHBondContact ND1-OG1 3.23Å |
| 221 | T | 64.1 | Low | 52.4 | Low | 105 Ų | 105 | 78.9 Ų | 78.9 | 64% | 0.644 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.1 | 174 | 39.7 | 0 | 0 | 0 | 0 | 110.6 | I173 C174 | I173-T221 HydrophobicContact CG2-CG2 4.18Å; C174-T221 WeakPolarHBondContact O-CA 3.09Å |
| 222 | E | 59.1 | Low | 52 | Low | 74 Ų | 74 | 76.7 Ų | 76.7 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.8 | 173.9 | -72.2 | 178.8 | -152.7 | 0 | 0 | 109.2 | C174 L176 K187 I224 | C174-E222 PolarHBondContact N-O 2.89Å; C174-E222 PolarHBondContact O-N 2.74Å; L176-E222 HydrophobicContact CD1-CB 4.22Å; L176-E222 VanDerWaalsContact CD1-CD 3.41Å; L176-E222 HydrophobicContact CD1-CG 4.08Å; L176-E222 WeakPolarHBondContact CD1-OE2 3.24Å; K187-E222 IonicContact NZ-OE1 2.81Å; K187-E222 PolarHBondContact NZ-OE1 3.07Å; E222-I224 HydrophobicContact CB-CD1 4.46Å; E222-I224 HydrophobicContact CB-CG1 4.3Å |
| 223 | L | 59.5 | Low | 51.5 | Low | 49 Ų | 49 | 77.5 Ų | 77.5 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.8 | -179.8 | -179.5 | 69.8 | 0 | 0 | 0 | 109.5 | Q154 I169 N172 I173 | Q154-L223 HydrophobicContact CB-CD2 4.46Å; Q154-L223 HydrophobicContact CG-CD2 3.98Å; Q154-L223 HydrophobicContact CG-CG 4.31Å; I169-L223 HydrophobicContact CB-CD1 4.48Å; I169-L223 HydrophobicContact CG1-CD1 4.39Å; I169-L223 HydrophobicContact CG2-CD1 4.31Å; N172-L223 HydrophobicContact CB-CD1 3.9Å; I173-L223 HydrophobicContact CG1-CD1 4.04Å |
| 224 | I | 59 | Low | 50.9 | Low | 67 Ų | 67 | 82.6 Ų | 82.6 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | trans | -116.3 | 39.4 | -164.4 | -35.3 | -175.8 | 0 | 0 | 0 | 113 | N172 C174 E222 N226 | N172-I224 PolarHBondContact O-N 2.72Å; C174-I224 HydrophobicContact CB-CD1 3.61Å; C174-I224 HydrophobicContact CB-CG1 4.12Å; E222-I224 HydrophobicContact CB-CD1 4.46Å; E222-I224 HydrophobicContact CB-CG1 4.3Å; I224-N226 VanDerWaalsContact C-N 3.25Å; I224-N226 PolarHBondContact O-N 2.85Å | ||
| 225 | C | 62.2 | Low | 50.2 | Low | 11 Ų | 11 | 81.3 Ų | 81.3 | 7% | 0.074 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -72.4 | -12.7 | 178.2 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | C152 Q154 C155 H168 N172 H227 L228 | C152-C225 PolarHBondContact SG-SG 3.22Å; Q154-C225 WeakPolarHBondContact CB-SG 3.42Å; C155-C225 HydrophobicContact CB-CB 3.94Å; C155-C225 VanDerWaalsContact CB-SG 3.59Å; C155-C225 PolarHBondContact N-SG 3.12Å; C155-C225 VanDerWaalsContact SG-SG 3.65Å; H168-C225 WeakPolarHBondContact CE1-CB 3.33Å; H168-C225 WeakPolarHBondContact NE2-CB 3.42Å; H168-C225 PolarHBondContact NE2-SG 2.97Å; H168-C225 VanDerWaalsContact NE2-SG 3.41Å; N172-C225 HydrophobicContact CB-CB 3.71Å; N172-C225 VanDerWaalsContact CG-CB 3.44Å; N172-C225 VanDerWaalsContact OD1-CA 3.24Å; N172-C225 WeakPolarHBondContact OD1-CA 3.23Å; N172-C225 WeakPolarHBondContact OD1-CB 3.23Å; C225-H227 PolarHBondContact O-N 3.48Å; C225-H227 VanDerWaalsContact O-N 3.09Å; C225-L228 PolarHBondContact O-N 3.32Å |
| 226 | N | 45.7 | Very low | 48.9 | Very low | 95 Ų | 95 | 81.7 Ų | 81.7 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -70.8 | 2.5 | 178.1 | -100.6 | -36.4 | 0 | 0 | 0 | 115.2 | Q154 I224 | Q154-N226 VanDerWaalsContact C-ND2 3.29Å; Q154-N226 PolarHBondContact O-ND2 2.86Å; Q154-N226 PolarHBondContact O-OD1 3.04Å; Q154-N226 PolarHBondContact OE1-ND2 2.91Å; I224-N226 VanDerWaalsContact C-N 3.25Å; I224-N226 PolarHBondContact O-N 2.85Å |
| 227 | H | 44.9 | Very low | 47.4 | Very low | 181 Ų | 181 | 87.3 Ų | 87.3 | 84% | 0.838 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -144.5 | 6.1 | 173.3 | -105.8 | -71.1 | 0 | 0 | 0 | 114.2 | C225 | C225-H227 PolarHBondContact O-N 3.48Å; C225-H227 VanDerWaalsContact O-N 3.09Å |
| 228 | L | 39.7 | Very low | 45.5 | Very low | 63 Ų | 63 | 90.8 Ų | 90.8 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | trans | -110.1 | 43.6 | -171.6 | -91.1 | 172.1 | 0 | 0 | 0 | 113.3 | N172 C225 T230 V232 | N172-L228 VanDerWaalsContact OD1-CB 3.23Å; N172-L228 WeakPolarHBondContact OD1-CB 3.33Å; C225-L228 PolarHBondContact O-N 3.32Å; L228-T230 PolarHBondContact O-N 2.92Å; L228-V232 HydrophobicContact CD1-CG2 4.31Å; L228-V232 HydrophobicContact CD2-CG2 3.79Å | ||
| 229 | A | 32.5 | Very low | 43.5 | Very low | 85 Ų | 85 | 95 Ų | 95 | 70% | 0.702 | 54% | 0.54 | S | S | * | . | trans | -65.3 | 113.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 230 | T | 36 | Very low | 41.4 | Very low | 79 Ų | 79 | 98 Ų | 98 | 49% | 0.485 | 55% | 0.554 | S | S | . | * | S | Bend | trans | 82 | 109.6 | 173 | -30.4 | 0 | 0 | 0 | 0 | 116.1 | L228 Y341 | L228-T230 PolarHBondContact O-N 2.92Å; T230-Y341 WeakPolarHBondContact CB-O 3.44Å; T230-Y341 WeakPolarHBondContact CG2-O 3.46Å; T230-Y341 PolarHBondContact OG1-O 3.24Å |
| 231 | I | 35.1 | Very low | 39.6 | Very low | 49 Ų | 49 | 106.4 Ų | 106.4 | 25% | 0.251 | 58% | 0.582 | S | S | . | * | trans | 67.6 | 98.3 | 160.1 | -39.4 | -179.7 | 0 | 0 | 0 | 119.4 | K234 Y341 | I231-K234 HydrophobicContact CG2-CB 3.96Å; I231-Y341 HydrophobicContact CB-CD1 3.6Å; I231-Y341 HydrophobicContact CB-CE1 3.58Å; I231-Y341 HydrophobicContact CB-CG 4.27Å; I231-Y341 HydrophobicContact CD1-CD1 3.91Å; I231-Y341 HydrophobicContact CD1-CE1 4.2Å; I231-Y341 HydrophobicContact CG1-CD1 4.1Å; I231-Y341 HydrophobicContact CG1-CE1 4.4Å; I231-Y341 HydrophobicContact CG2-CD1 4.19Å; I231-Y341 HydrophobicContact CG2-CE1 3.65Å; I231-Y341 WeakPolarHBondContact O-CE2 3.32Å | ||
| 232 | V | 31.7 | Very low | 37.7 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -112 | -0.5 | 137.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L228 | L228-V232 HydrophobicContact CD1-CG2 4.31Å; L228-V232 HydrophobicContact CD2-CG2 3.79Å |
| 233 | A | 32.8 | Very low | 36.1 | Very low | 68 Ų | 68 | 111 Ų | 111 | 56% | 0.562 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -98.8 | 18.2 | -162.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | L171 | L171-A233 HydrophobicContact CD2-CB 3.78Š|
| 234 | K | 32.3 | Very low | 34.4 | Very low | 169 Ų | 169 | 115 Ų | 115 | 74% | 0.735 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -143.3 | 23.3 | -170 | -76.4 | -160.8 | 170.9 | -172.7 | 0 | 117.4 | I231 | I231-K234 HydrophobicContact CG2-CB 3.96Š|
| 235 | L | 30.2 | Very low | 33.1 | Very low | 146 Ų | 146 | 118 Ų | 118 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | trans | -130.7 | 43.6 | 173.4 | -89.7 | 103.1 | 0 | 0 | 0 | 114.3 | ||||
| 236 | D | 27.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -107.2 | 138.6 | 144.3 | -82.5 | -51.6 | 0 | 0 | 0 | 108.4 | ||
| 237 | N | 27.4 | Very low | 30.3 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 84 | 148.9 | -176.7 | -51.2 | -65.8 | 0 | 0 | 0 | 118.2 | ||
| 238 | A | 28.5 | Very low | 29.6 | Very low | 89 Ų | 89 | 124 Ų | 124 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | trans | 58.4 | 111.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 239 | S | 26.1 | Very low | 28.9 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | cis | 67.3 | 126.7 | 31.3 | 98.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 240 | Q | 27 | Very low | 28.9 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 56.9 | 118.6 | -179.9 | -65.4 | 175.7 | -21.2 | 0 | 0 | 117 | ||||
| 241 | Y | 30 | Very low | 28.5 | Very low | 224 Ų | 224 | 132.8 Ų | 132.8 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | 179.1 | 111.9 | 115 | -100.6 | -69.3 | 0 | 0 | 0 | 110.3 | |||||
| 242 | D | 23.8 | Very low | 28.4 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -73.3 | 145 | 157.2 | -74.5 | -70.6 | 0 | 0 | 0 | 109.5 | ||||
| 243 | C | 26 | Very low | 28.2 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -170.2 | 127.3 | 131.5 | -101.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 244 | T | 24.8 | Very low | 28.3 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -49.5 | 138.7 | 159.9 | 44.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 245 | S | 29.8 | Very low | 28.4 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -155.3 | 128.6 | 151.2 | -82 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 246 | S | 23.8 | Very low | 28.6 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -96.7 | 142.3 | 178.3 | 55 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 247 | L | 27.2 | Very low | 28.9 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -147.2 | 159.7 | 158.1 | -108.1 | 149.3 | 0 | 0 | 0 | 110.5 | ||||
| 248 | T | 29.3 | Very low | 29.3 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -93.1 | 163.1 | -147.4 | 37.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 249 | V | 26 | Very low | 29.8 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -76.9 | 135.6 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 250 | V | 31.1 | Very low | 30.2 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -130.3 | 147.5 | 156.5 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 251 | D | 28.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -91.8 | 139 | -165.6 | -160.2 | -10.6 | 0 | 0 | 0 | 113.3 | A253 | D251-A253 PolarHBondContact OD1-N 3.34Š| ||
| 252 | Q | 33.1 | Very low | 30.7 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -161.3 | 54 | 167.8 | -128.4 | 173.1 | 34.9 | 0 | 0 | 114.3 | S254 I255 | Q252-S254 VanDerWaalsContact C-N 3.26Å; Q252-S254 PolarHBondContact O-N 2.82Å; Q252-I255 HydrophobicContact CG-CD1 4.43Å | ||
| 253 | A | 27.8 | Very low | 31.1 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 60.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D251 | D251-A253 PolarHBondContact OD1-N 3.34Š|
| 254 | S | 33.4 | Very low | 31.6 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.7 | -20.5 | 178.7 | 65 | 0 | 0 | 0 | 0 | 116.9 | Q252 | Q252-S254 VanDerWaalsContact C-N 3.26Å; Q252-S254 PolarHBondContact O-N 2.82Å |
| 255 | I | 34.4 | Very low | 32.4 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 40% | 0.4 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | -32.9 | -161.6 | -67.2 | 173.1 | 0 | 0 | 0 | 114.3 | Q252 N257 K258 I259 | Q252-I255 HydrophobicContact CG-CD1 4.43Å; I255-N257 VanDerWaalsContact C-N 3.26Å; I255-N257 PolarHBondContact O-N 3.03Å; I255-N257 VanDerWaalsContact O-N 3.1Å; I255-K258 PolarHBondContact O-N 2.85Å; I255-K258 VanDerWaalsContact O-N 3.09Å; I255-I259 HydrophobicContact CG2-CD1 3.39Å; I255-I259 HydrophobicContact CG2-CG1 3.98Å |
| 256 | V | 35.4 | Very low | 33.7 | Very low | 81 Ų | 81 | 120.2 Ų | 120.2 | 49% | 0.491 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -62.3 | -25.5 | -167.4 | -178 | 0 | 0 | 0 | 0 | 114.1 | F260 | V256-F260 HydrophobicContact CG1-CD2 4.38Å; V256-F260 HydrophobicContact CG1-CE2 4.2Å; V256-F260 VanDerWaalsContact O-CD2 3.25Å; V256-F260 WeakPolarHBondContact O-CD2 3.01Å |
| 257 | N | 34.6 | Very low | 35.9 | Very low | 165 Ų | 165 | 121.4 Ų | 121.4 | 88% | 0.882 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -87 | -9 | 179.7 | -77.4 | -21.8 | 0 | 0 | 0 | 114.6 | I255 | I255-N257 VanDerWaalsContact C-N 3.26Å; I255-N257 PolarHBondContact O-N 3.03Å; I255-N257 VanDerWaalsContact O-N 3.1Å |
| 258 | K | 34.6 | Very low | 38.2 | Very low | 188 Ų | 188 | 114 Ų | 114 | 82% | 0.817 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -108.8 | -22.1 | -173.9 | -136.6 | 177.8 | -176.4 | -176 | 0 | 114.6 | I255 | I255-K258 PolarHBondContact O-N 2.85Å; I255-K258 VanDerWaalsContact O-N 3.09Å |
| 259 | I | 38.1 | Very low | 40.4 | Very low | 108 Ų | 108 | 111.2 Ų | 111.2 | 55% | 0.554 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -89.2 | -26.4 | -178.7 | -63.9 | -172.5 | 0 | 0 | 0 | 113 | I255 A261 | I255-I259 HydrophobicContact CG2-CD1 3.39Å; I255-I259 HydrophobicContact CG2-CG1 3.98Å; I259-A261 PolarHBondContact O-N 3.07Å; I259-A261 VanDerWaalsContact O-N 3.07Å |
| 260 | F | 36.2 | Very low | 43.2 | Very low | 134 Ų | 134 | 106.7 Ų | 106.7 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 16.7 | -173.6 | -80.4 | -93 | 0 | 0 | 0 | 115.5 | V256 P266 | V256-F260 HydrophobicContact CG1-CD2 4.38Å; V256-F260 HydrophobicContact CG1-CE2 4.2Å; V256-F260 VanDerWaalsContact O-CD2 3.25Å; V256-F260 WeakPolarHBondContact O-CD2 3.01Å; F260-P266 HydrophobicContact CE1-CG 4.1Å |
| 261 | A | 35 | Very low | 45.7 | Very low | 80 Ų | 80 | 100 Ų | 100 | 66% | 0.661 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I259 | I259-A261 PolarHBondContact O-N 3.07Å; I259-A261 VanDerWaalsContact O-N 3.07Å |
| 262 | D | 31.8 | Very low | 48.4 | Very low | 124 Ų | 124 | 98.3 Ų | 98.3 | 66% | 0.663 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -7.8 | -162.5 | -71.5 | -65.8 | 0 | 0 | 0 | 115.8 | ||
| 263 | M | 31.3 | Very low | 50.9 | Low | 141 Ų | 141 | 91.3 Ų | 91.3 | 70% | 0.695 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -105.1 | 148.8 | -176.1 | -77.7 | -67.8 | 122.3 | 0 | 0 | 114.3 | S265 | M263-S265 PolarHBondContact O-N 3.08Š|
| 264 | S | 36.9 | Very low | 53.4 | Low | 107 Ų | 107 | 90.4 Ų | 90.4 | 75% | 0.748 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 134.6 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 265 | S | 43 | Very low | 55.7 | Low | 111 Ų | 111 | 88.8 Ų | 88.8 | 78% | 0.776 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 124.5 | -174 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | M263 | M263-S265 PolarHBondContact O-N 3.08Š|
| 266 | P | 55.4 | Low | 57.9 | Low | 44 Ų | 44 | 87.3 Ų | 87.3 | 29% | 0.286 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 143 | -175.9 | 22.3 | -33.5 | 0 | 0 | 0 | 111.5 | F260 Q326 V328 | F260-P266 HydrophobicContact CE1-CG 4.1Å; P266-Q326 HydrophobicContact CB-CB 4.47Å; P266-Q326 WeakPolarHBondContact CB-O 3.27Å; P266-V328 HydrophobicContact CB-CG2 4.28Å |
| 267 | F | 70.3 | Confident | 60 | Low | 138 Ų | 138 | 87.7 Ų | 87.7 | 61% | 0.605 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 133 | 179 | -175.6 | -88.1 | 0 | 0 | 0 | 109.9 | F269 V327 V328 | F267-F269 HydrophobicContact CD1-CD1 4.34Å; F267-F269 HydrophobicContact CD1-CE1 4.31Å; F267-F269 AromaticContact CE1-CD1 3.71Å; F267-F269 HydrophobicContact CE1-CD1 3.71Å; F267-F269 AromaticContact CE1-CE1 3.72Å; F267-F269 HydrophobicContact CE1-CE1 3.72Å; F267-V327 HydrophobicContact CB-CG2 4.17Å; F267-V327 HydrophobicContact CD1-CG1 4.24Å; F267-V327 WeakPolarHBondContact O-CA 3.31Å; F267-V328 PolarHBondContact O-N 2.85Å |
| 268 | V | 77.2 | Confident | 62.2 | Low | 17 Ų | 17 | 83.2 Ų | 83.2 | 10% | 0.103 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 113.2 | -172.2 | 174.1 | 0 | 0 | 0 | 0 | 109 | L271 V328 | V268-L271 HydrophobicContact CG1-CD1 3.73Å; V268-L271 HydrophobicContact CG1-CD2 3.92Å; V268-L271 HydrophobicContact CG1-CG 3.5Å; V268-L271 VanDerWaalsContact CG1-CG 3.5Å; V268-V328 WeakPolarHBondContact CA-O 3.45Å |
| 269 | F | 75.4 | Confident | 64.5 | Low | 70 Ų | 70 | 78.1 Ų | 78.1 | 31% | 0.307 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -60.7 | 176.5 | -73.5 | -57.1 | 0 | 0 | 0 | 111.5 | F267 V281 V327 V328 L334 I335 H338 | F267-F269 HydrophobicContact CD1-CD1 4.34Å; F267-F269 HydrophobicContact CD1-CE1 4.31Å; F267-F269 AromaticContact CE1-CD1 3.71Å; F267-F269 HydrophobicContact CE1-CD1 3.71Å; F267-F269 AromaticContact CE1-CE1 3.72Å; F267-F269 HydrophobicContact CE1-CE1 3.72Å; F269-V281 WeakPolarHBondContact O-CG1 3.23Å; F269-V327 HydrophobicContact CD2-CG1 3.5Å; F269-V327 VanDerWaalsContact CD2-CG1 3.5Å; F269-V327 HydrophobicContact CE2-CG1 3.17Å; F269-V327 HydrophobicContact CG-CG1 4.32Å; F269-V327 HydrophobicContact CZ-CG1 3.76Å; F269-V328 PolarHBondContact N-O 3.25Å; F269-L334 HydrophobicContact CB-CB 4.42Å; F269-L334 HydrophobicContact CB-CD1 4.19Å; F269-L334 HydrophobicContact CD2-CB 4.24Å; F269-L334 WeakPolarHBondContact CE2-O 3.43Å; F269-I335 HydrophobicContact CD2-CD1 3.79Å; F269-I335 HydrophobicContact CE2-CD1 4.05Å; F269-H338 HydrophobicContact CE2-CB 3.41Å; F269-H338 VanDerWaalsContact CE2-CB 3.41Å; F269-H338 AromaticContact CE2-CG 3.6Å; F269-H338 HydrophobicContact CZ-CB 3.6Å; F269-H338 AromaticContact CZ-CG 3.74Å; F269-H338 AromaticContact CZ-ND1 3.98Å |
| 270 | L | 83.2 | Confident | 66.6 | Low | 42 Ų | 42 | 74 Ų | 74 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 126.1 | -174.3 | -169.5 | 64.4 | 0 | 0 | 0 | 110.7 | T279 S329 T330 L334 | L270-T279 HydrophobicContact CD1-CG2 3.91Å; L270-T279 HydrophobicContact CD2-CG2 4.46Å; L270-T279 HydrophobicContact CG-CG2 4.42Å; L270-S329 CarbonylContact O-C 3.6Å; L270-S329 WeakPolarHBondContact O-CA 3.26Å; L270-S329 PolarHBondContact O-OG 3.34Å; L270-T330 PolarHBondContact O-N 2.88Å; L270-T330 PolarHBondContact O-OG1 2.93Å; L270-L334 HydrophobicContact CB-CD1 3.68Å; L270-L334 HydrophobicContact CD2-CD1 4.11Å |
| 271 | L | 85.3 | Confident | 68.8 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.2 | 168.9 | -49.7 | 169 | 0 | 0 | 0 | 108.3 | V268 T279 T280 W283 F286 T330 | V268-L271 HydrophobicContact CG1-CD1 3.73Å; V268-L271 HydrophobicContact CG1-CD2 3.92Å; V268-L271 HydrophobicContact CG1-CG 3.5Å; V268-L271 VanDerWaalsContact CG1-CG 3.5Å; L271-T279 CarbonylContact O-C 3.58Å; L271-T279 WeakPolarHBondContact O-CA 3.32Å; L271-T280 HydrophobicContact CB-CG2 4.28Å; L271-T280 WeakPolarHBondContact CB-O 3.3Å; L271-T280 PolarHBondContact N-O 2.72Å; L271-T280 PolarHBondContact O-N 3.47Å; L271-W283 HydrophobicContact CD1-CB 4.37Å; L271-W283 HydrophobicContact CD1-CD2 4.43Å; L271-W283 HydrophobicContact CD1-CE3 3.63Å; L271-W283 HydrophobicContact CD1-CZ3 4.35Å; L271-W283 HydrophobicContact CD2-CE3 4.04Å; L271-W283 HydrophobicContact CD2-CZ3 3.97Å; L271-W283 HydrophobicContact CG-CE3 4.49Å; L271-F286 HydrophobicContact CB-CB 3.92Å; L271-F286 HydrophobicContact CB-CD1 4.13Å; L271-F286 HydrophobicContact CB-CD2 3.48Å; L271-F286 VanDerWaalsContact CB-CD2 3.48Å; L271-F286 HydrophobicContact CB-CE2 3.92Å; L271-F286 HydrophobicContact CB-CG 3.59Å; L271-F286 HydrophobicContact CB-CZ 4.41Å; L271-F286 HydrophobicContact CD1-CB 3.53Å; L271-F286 HydrophobicContact CD1-CD1 4.05Å; L271-F286 HydrophobicContact CD1-CG 3.83Å; L271-F286 HydrophobicContact CG-CB 4.37Å; L271-F286 HydrophobicContact CG-CD1 4.49Å; L271-F286 HydrophobicContact CG-CG 4.27Å; L271-T330 HydrophobicContact CB-CG2 4.22Å; L271-T330 HydrophobicContact CD2-CG2 4.11Å |
| 272 | R | 84.9 | Confident | 70.8 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 37% | 0.37 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.5 | -175.5 | -177.3 | 179.5 | 175.8 | 177.5 | -2.4 | 109.6 | P274 D277 L278 T279 T330 E331 | R272-P274 WeakPolarHBondContact O-CD 3.16Å; R272-D277 IonicContact CZ-OD1 2.67Å; R272-D277 IonicContact NE-OD1 3.88Å; R272-D277 PolarHBondContact NE-OD1 2.99Å; R272-D277 IonicContact NH2-OD1 3.76Å; R272-D277 PolarHBondContact NH2-OD1 3.12Å; R272-D277 IonicContact NH2-OD2 2.81Å; R272-L278 CarbonylContact C-O 3.57Å; R272-L278 WeakPolarHBondContact CA-O 3.24Å; R272-T279 HydrophobicContact CB-CG2 4.2Å; R272-T279 HydrophobicContact CG-CG2 4.07Å; R272-T330 PolarHBondContact N-OG1 3.02Å; R272-E331 WeakPolarHBondContact CD-OE1 3.49Å; R272-E331 IonicContact CZ-OE1 3.64Å; R272-E331 IonicContact NE-OE1 2.68Å; R272-E331 IonicContact NH1-OE1 3.06Å; R272-E331 PolarHBondContact NH1-OE1 3.16Å |
| 273 | C | 84.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | trans | -74.7 | 120 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | Y275 C276 D277 L278 H289 | C273-Y275 PolarHBondContact O-N 2.84Å; C273-C276 PolarHBondContact O-N 2.9Å; C273-D277 WeakPolarHBondContact O-CA 3.29Å; C273-D277 PolarHBondContact O-N 2.79Å; C273-L278 HydrophobicContact CB-CB 4.26Å; C273-L278 PolarHBondContact N-O 3.29Å; C273-H289 VanDerWaalsContact CB-CD2 3.47Å; C273-H289 WeakPolarHBondContact CB-CD2 3.5Å; C273-H289 VanDerWaalsContact CB-NE2 3.33Å; C273-H289 WeakPolarHBondContact CB-NE2 3.37Å; C273-H289 VanDerWaalsContact SG-CD2 3.53Å; C273-H289 PolarHBondContact SG-NE2 2.89Å | ||
| 274 | P | 80.4 | Confident | 75.2 | Confident | 82 Ų | 82 | 70.7 Ų | 70.7 | 53% | 0.532 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -3.8 | -176.1 | 29 | -35.8 | 0 | 0 | 0 | 114.3 | R272 C317 | R272-P274 WeakPolarHBondContact O-CD 3.16Å; P274-C317 HydrophobicContact CG-CB 4.48Å |
| 275 | Y | 80.5 | Confident | 77.3 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -17.3 | -178.4 | -56.5 | -80.3 | 0 | 0 | 0 | 114.4 | C273 G295 I296 Y299 Y315 | C273-Y275 PolarHBondContact O-N 2.84Å; Y275-G295 WeakPolarHBondContact O-CA 3.37Å; Y275-I296 HydrophobicContact CD2-CD1 4.07Å; Y275-I296 HydrophobicContact CD2-CG1 3.34Å; Y275-I296 HydrophobicContact CE2-CD1 4.49Å; Y275-I296 HydrophobicContact CE2-CG1 3.94Å; Y275-I296 HydrophobicContact CG-CG1 3.67Å; Y275-Y299 HydrophobicContact CD1-CD1 4.12Å; Y275-Y299 AromaticContact CD1-CD2 3.9Å; Y275-Y299 HydrophobicContact CD1-CD2 3.9Å; Y275-Y299 AromaticContact CD1-CG 3.63Å; Y275-Y299 HydrophobicContact CD1-CG 3.63Å; Y275-Y299 AromaticContact CE1-CD1 3.46Å; Y275-Y299 HydrophobicContact CE1-CD1 3.46Å; Y275-Y299 VanDerWaalsContact CE1-CD1 3.46Å; Y275-Y299 AromaticContact CE1-CD2 3.67Å; Y275-Y299 HydrophobicContact CE1-CD2 3.67Å; Y275-Y299 AromaticContact CE1-CE1 3.78Å; Y275-Y299 HydrophobicContact CE1-CE1 3.78Å; Y275-Y299 AromaticContact CE1-CE2 3.97Å; Y275-Y299 HydrophobicContact CE1-CE2 3.97Å; Y275-Y299 AromaticContact CE1-CG 3.39Å; Y275-Y299 HydrophobicContact CE1-CG 3.39Å; Y275-Y315 HydrophobicContact CD2-CD2 4.02Å; Y275-Y315 AromaticContact CD2-CE2 3.74Å; Y275-Y315 HydrophobicContact CD2-CE2 3.74Å; Y275-Y315 AromaticContact CE2-CD2 3.61Å; Y275-Y315 HydrophobicContact CE2-CD2 3.61Å; Y275-Y315 AromaticContact CE2-CE2 3.62Å; Y275-Y315 HydrophobicContact CE2-CE2 3.62Å |
| 276 | C | 82 | Confident | 79.1 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 31% | 0.311 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.6 | 12.1 | -179.6 | 82 | 0 | 0 | 0 | 0 | 115.1 | C273 L278 H289 | C273-C276 PolarHBondContact O-N 2.9Å; C276-L278 PolarHBondContact O-N 3.22Å; C276-L278 VanDerWaalsContact O-N 3.08Å; C276-H289 PolarHBondContact SG-CE1 3.47Å; C276-H289 PolarHBondContact SG-NE2 3.47Å |
| 277 | D | 79.9 | Confident | 80.3 | Confident | 89 Ų | 89 | 66.4 Ų | 66.4 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | trans | 54.9 | 25.4 | -179.7 | -65.8 | -48.4 | 0 | 0 | 0 | 115.6 | R272 C273 T279 | R272-D277 IonicContact CZ-OD1 2.67Å; R272-D277 IonicContact NE-OD1 3.88Å; R272-D277 PolarHBondContact NE-OD1 2.99Å; R272-D277 IonicContact NH2-OD1 3.76Å; R272-D277 PolarHBondContact NH2-OD1 3.12Å; R272-D277 IonicContact NH2-OD2 2.81Å; C273-D277 WeakPolarHBondContact O-CA 3.29Å; C273-D277 PolarHBondContact O-N 2.79Å; D277-T279 PolarHBondContact O-N 2.91Å | ||
| 278 | L | 80.2 | Confident | 80.7 | Confident | 72 Ų | 72 | 64 Ų | 64 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | trans | -65.4 | 113.3 | 168 | -179.3 | 74.6 | 0 | 0 | 0 | 108.6 | R272 C273 C276 H289 | R272-L278 CarbonylContact C-O 3.57Å; R272-L278 WeakPolarHBondContact CA-O 3.24Å; C273-L278 HydrophobicContact CB-CB 4.26Å; C273-L278 PolarHBondContact N-O 3.29Å; C276-L278 PolarHBondContact O-N 3.22Å; C276-L278 VanDerWaalsContact O-N 3.08Å; L278-H289 HydrophobicContact CD2-CB 3.79Å; L278-H289 VanDerWaalsContact CD2-ND1 3.31Å; L278-H289 WeakPolarHBondContact CD2-ND1 3.31Å | ||
| 279 | T | 83.1 | Confident | 80.9 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138.3 | 171 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | L270 L271 R272 D277 | L270-T279 HydrophobicContact CD1-CG2 3.91Å; L270-T279 HydrophobicContact CD2-CG2 4.46Å; L270-T279 HydrophobicContact CG-CG2 4.42Å; L271-T279 CarbonylContact O-C 3.58Å; L271-T279 WeakPolarHBondContact O-CA 3.32Å; R272-T279 HydrophobicContact CB-CG2 4.2Å; R272-T279 HydrophobicContact CG-CG2 4.07Å; D277-T279 PolarHBondContact O-N 2.91Å |
| 280 | T | 81.3 | Confident | 81.1 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 145.6 | 171.7 | -163.5 | 0 | 0 | 0 | 0 | 112.5 | L271 R282 F286 | L271-T280 HydrophobicContact CB-CG2 4.28Å; L271-T280 WeakPolarHBondContact CB-O 3.3Å; L271-T280 PolarHBondContact N-O 2.72Å; L271-T280 PolarHBondContact O-N 3.47Å; T280-R282 VanDerWaalsContact C-N 3.29Å; T280-R282 PolarHBondContact OG1-N 3.04Å; T280-F286 HydrophobicContact CG2-CB 3.83Å |
| 281 | V | 82 | Confident | 80.7 | Confident | 92 Ų | 92 | 61.3 Ų | 61.3 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -88.6 | 4.2 | 169.3 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | F269 | F269-V281 WeakPolarHBondContact O-CG1 3.23Š|
| 282 | R | 78.6 | Confident | 80.2 | Confident | 139 Ų | 139 | 65.1 Ų | 65.1 | 53% | 0.525 | 34% | 0.337 | S | S | . | . | trans | -109.9 | 103.3 | -175.5 | -68.5 | -175.9 | 178.9 | -162.2 | -1.3 | 111 | T280 I284 Y285 F286 | T280-R282 VanDerWaalsContact C-N 3.29Å; T280-R282 PolarHBondContact OG1-N 3.04Å; R282-I284 VanDerWaalsContact C-N 3.28Å; R282-I284 PolarHBondContact O-N 2.72Å; R282-Y285 HydrophobicContact CB-CD2 4.02Å; R282-Y285 HydrophobicContact CB-CG 3.94Å; R282-Y285 HydrophobicContact CG-CD2 4.47Å; R282-Y285 PolarHBondContact NH1-OH 2.86Å; R282-Y285 WeakPolarHBondContact O-CA 3.43Å; R282-Y285 WeakPolarHBondContact O-CB 3.32Å; R282-Y285 PolarHBondContact O-N 2.93Å; R282-F286 PolarHBondContact O-N 3.2Å | ||
| 283 | W | 79.5 | Confident | 80 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 35% | 0.352 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -43.5 | -50 | 175.9 | -168.9 | -105.6 | 0 | 0 | 0 | 113.5 | L271 Y285 F286 L287 I319 V328 | L271-W283 HydrophobicContact CD1-CB 4.37Å; L271-W283 HydrophobicContact CD1-CD2 4.43Å; L271-W283 HydrophobicContact CD1-CE3 3.63Å; L271-W283 HydrophobicContact CD1-CZ3 4.35Å; L271-W283 HydrophobicContact CD2-CE3 4.04Å; L271-W283 HydrophobicContact CD2-CZ3 3.97Å; L271-W283 HydrophobicContact CG-CE3 4.49Å; W283-Y285 VanDerWaalsContact C-N 3.29Å; W283-Y285 PolarHBondContact O-N 2.94Å; W283-F286 WeakPolarHBondContact O-CB 3.43Å; W283-F286 PolarHBondContact O-N 2.91Å; W283-F286 VanDerWaalsContact O-N 3.08Å; W283-L287 PolarHBondContact O-N 3.37Å; W283-I319 HydrophobicContact CH2-CD1 3.4Å; W283-I319 VanDerWaalsContact CH2-CD1 3.4Å; W283-I319 HydrophobicContact CH2-CG2 4.13Å; W283-I319 HydrophobicContact CZ2-CD1 4.37Å; W283-I319 HydrophobicContact CZ3-CD1 3.75Å; W283-I319 HydrophobicContact CZ3-CG2 4.17Å; W283-V328 HydrophobicContact CE3-CG1 4.49Å; W283-V328 HydrophobicContact CH2-CG1 4.26Å; W283-V328 HydrophobicContact CZ3-CG1 3.64Å |
| 284 | I | 76.2 | Confident | 79.5 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.4 | -22.5 | -179.8 | -162.5 | 161 | 0 | 0 | 0 | 114.3 | R282 M288 | R282-I284 VanDerWaalsContact C-N 3.28Å; R282-I284 PolarHBondContact O-N 2.72Å; I284-M288 HydrophobicContact CG1-SD 4.4Å; I284-M288 WeakPolarHBondContact O-CB 3.39Å; I284-M288 VanDerWaalsContact O-CG 3.22Å; I284-M288 WeakPolarHBondContact O-CG 3.38Å; I284-M288 PolarHBondContact O-N 3.26Å |
| 285 | Y | 79.3 | Confident | 79.4 | Confident | 108 Ų | 108 | 62.5 Ų | 62.5 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -79.1 | -36.4 | 170.5 | -72.3 | 2.8 | 0 | 0 | 0 | 110.9 | R282 W283 M288 H289 | R282-Y285 HydrophobicContact CB-CD2 4.02Å; R282-Y285 HydrophobicContact CB-CG 3.94Å; R282-Y285 HydrophobicContact CG-CD2 4.47Å; R282-Y285 PolarHBondContact NH1-OH 2.86Å; R282-Y285 WeakPolarHBondContact O-CA 3.43Å; R282-Y285 WeakPolarHBondContact O-CB 3.32Å; R282-Y285 PolarHBondContact O-N 2.93Å; W283-Y285 VanDerWaalsContact C-N 3.29Å; W283-Y285 PolarHBondContact O-N 2.94Å; Y285-M288 PolarHBondContact O-N 2.89Å; Y285-H289 WeakPolarHBondContact O-CB 3.41Å; Y285-H289 PolarHBondContact O-N 3.33Å |
| 286 | F | 82 | Confident | 79 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 173.4 | -175.7 | -108.1 | 0 | 0 | 0 | 111.9 | L271 T280 R282 W283 H289 P290 Y315 C317 I319 T330 L355 | L271-F286 HydrophobicContact CB-CB 3.92Å; L271-F286 HydrophobicContact CB-CD1 4.13Å; L271-F286 HydrophobicContact CB-CD2 3.48Å; L271-F286 VanDerWaalsContact CB-CD2 3.48Å; L271-F286 HydrophobicContact CB-CE2 3.92Å; L271-F286 HydrophobicContact CB-CG 3.59Å; L271-F286 HydrophobicContact CB-CZ 4.41Å; L271-F286 HydrophobicContact CD1-CB 3.53Å; L271-F286 HydrophobicContact CD1-CD1 4.05Å; L271-F286 HydrophobicContact CD1-CG 3.83Å; L271-F286 HydrophobicContact CG-CB 4.37Å; L271-F286 HydrophobicContact CG-CD1 4.49Å; L271-F286 HydrophobicContact CG-CG 4.27Å; T280-F286 HydrophobicContact CG2-CB 3.83Å; R282-F286 PolarHBondContact O-N 3.2Å; W283-F286 WeakPolarHBondContact O-CB 3.43Å; W283-F286 PolarHBondContact O-N 2.91Å; W283-F286 VanDerWaalsContact O-N 3.08Å; F286-H289 PolarHBondContact O-N 3.15Å; F286-P290 WeakPolarHBondContact O-CD 3.18Å; F286-Y315 HydrophobicContact CE1-CE1 4.27Å; F286-Y315 VanDerWaalsContact CE2-OH 3.25Å; F286-Y315 WeakPolarHBondContact CE2-OH 3.34Å; F286-Y315 HydrophobicContact CZ-CE1 4.16Å; F286-Y315 WeakPolarHBondContact CZ-OH 2.87Å; F286-C317 HydrophobicContact CZ-CB 4.39Å; F286-I319 HydrophobicContact CE1-CD1 4.06Å; F286-T330 HydrophobicContact CE1-CG2 4.15Å; F286-T330 HydrophobicContact CE2-CG2 3.93Å; F286-T330 HydrophobicContact CZ-CG2 3.48Å; F286-T330 VanDerWaalsContact CZ-CG2 3.48Å; F286-L355 HydrophobicContact CE1-CD2 4.18Å |
| 287 | L | 80.9 | Confident | 78.5 | Confident | 62 Ų | 62 | 65 Ų | 65 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 174.5 | -67.5 | -176.3 | 0 | 0 | 0 | 113.6 | W283 L355 V357 | W283-L287 PolarHBondContact O-N 3.37Å; L287-L355 HydrophobicContact CD2-CD2 3.67Å; L287-V357 HydrophobicContact CD2-CG2 4.03Å |
| 288 | M | 77.4 | Confident | 78 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -77.8 | -22.4 | 175.8 | -75 | 177.6 | 57.7 | 0 | 0 | 113.3 | I284 Y285 E803 | I284-M288 HydrophobicContact CG1-SD 4.4Å; I284-M288 WeakPolarHBondContact O-CB 3.39Å; I284-M288 VanDerWaalsContact O-CG 3.22Å; I284-M288 WeakPolarHBondContact O-CG 3.38Å; I284-M288 PolarHBondContact O-N 3.26Å; Y285-M288 PolarHBondContact O-N 2.89Å; M288-E803 HydrophobicContact CE-CG 4.28Å |
| 289 | H | 81.3 | Confident | 77.5 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 7% | 0.069 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | -174 | 167.9 | 60.2 | 0 | 0 | 0 | 113.8 | C273 C276 L278 Y285 F286 A291 S292 C293 | C273-H289 VanDerWaalsContact CB-CD2 3.47Å; C273-H289 WeakPolarHBondContact CB-CD2 3.5Å; C273-H289 VanDerWaalsContact CB-NE2 3.33Å; C273-H289 WeakPolarHBondContact CB-NE2 3.37Å; C273-H289 VanDerWaalsContact SG-CD2 3.53Å; C273-H289 PolarHBondContact SG-NE2 2.89Å; C276-H289 PolarHBondContact SG-CE1 3.47Å; C276-H289 PolarHBondContact SG-NE2 3.47Å; L278-H289 HydrophobicContact CD2-CB 3.79Å; L278-H289 VanDerWaalsContact CD2-ND1 3.31Å; L278-H289 WeakPolarHBondContact CD2-ND1 3.31Å; Y285-H289 WeakPolarHBondContact O-CB 3.41Å; Y285-H289 PolarHBondContact O-N 3.33Å; F286-H289 PolarHBondContact O-N 3.15Å; H289-A291 VanDerWaalsContact C-N 3.31Å; H289-A291 PolarHBondContact O-N 2.64Å; H289-A291 VanDerWaalsContact O-N 3.15Å; H289-S292 CarbonylContact O-C 3.54Å; H289-S292 WeakPolarHBondContact O-CA 3.14Å; H289-S292 PolarHBondContact O-N 2.91Å; H289-S292 PolarHBondContact O-OG 2.93Å; H289-C293 VanDerWaalsContact CE1-CB 3.44Å; H289-C293 WeakPolarHBondContact CE1-CB 3.26Å; H289-C293 VanDerWaalsContact CE1-SG 3.58Å; H289-C293 WeakPolarHBondContact NE2-CB 3.34Å; H289-C293 PolarHBondContact NE2-SG 3.37Å; H289-C293 PolarHBondContact O-N 3.33Å |
| 290 | P | 79.9 | Confident | 76.8 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.019 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -47.5 | -45.8 | -176.8 | -35.8 | 35.8 | 0 | 0 | 0 | 115.6 | F286 S292 C293 I296 Y315 L359 | F286-P290 WeakPolarHBondContact O-CD 3.18Å; P290-S292 PolarHBondContact O-N 3.26Å; P290-S292 VanDerWaalsContact O-N 3.13Å; P290-C293 WeakPolarHBondContact O-CB 3.31Å; P290-C293 PolarHBondContact O-N 2.91Å; P290-C293 VanDerWaalsContact O-N 3.1Å; P290-I296 HydrophobicContact CB-CD1 3.69Å; P290-I296 HydrophobicContact CG-CD1 4.21Å; P290-Y315 HydrophobicContact CB-CD1 4.21Å; P290-Y315 HydrophobicContact CB-CD2 4.36Å; P290-Y315 HydrophobicContact CB-CG 3.93Å; P290-Y315 HydrophobicContact CG-CD1 3.37Å; P290-Y315 HydrophobicContact CG-CD2 4.03Å; P290-Y315 HydrophobicContact CG-CE1 3.65Å; P290-Y315 HydrophobicContact CG-CE2 4.26Å; P290-Y315 HydrophobicContact CG-CG 3.55Å; P290-L359 VanDerWaalsContact C-CD2 3.47Å; P290-L359 HydrophobicContact CB-CD2 3.6Å |
| 291 | A | 74.2 | Confident | 76 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -25.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H289 R297 L359 | H289-A291 VanDerWaalsContact C-N 3.31Å; H289-A291 PolarHBondContact O-N 2.64Å; H289-A291 VanDerWaalsContact O-N 3.15Å; A291-R297 PolarHBondContact O-NH2 2.96Å; A291-L359 HydrophobicContact CB-CD2 4.37Å |
| 292 | S | 76.2 | Confident | 75.1 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 56% | 0.559 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -102.1 | -6.9 | 178.7 | 68.3 | 0 | 0 | 0 | 0 | 114.6 | H289 P290 T294 | H289-S292 CarbonylContact O-C 3.54Å; H289-S292 WeakPolarHBondContact O-CA 3.14Å; H289-S292 PolarHBondContact O-N 2.91Å; H289-S292 PolarHBondContact O-OG 2.93Å; P290-S292 PolarHBondContact O-N 3.26Å; P290-S292 VanDerWaalsContact O-N 3.13Å; S292-T294 PolarHBondContact O-N 3.06Å |
| 293 | C | 79.4 | Confident | 74.2 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | trans | -73.9 | 113.1 | -170.3 | -175 | 0 | 0 | 0 | 0 | 111.8 | H289 P290 G295 I296 R297 | H289-C293 VanDerWaalsContact CE1-CB 3.44Å; H289-C293 WeakPolarHBondContact CE1-CB 3.26Å; H289-C293 VanDerWaalsContact CE1-SG 3.58Å; H289-C293 WeakPolarHBondContact NE2-CB 3.34Å; H289-C293 PolarHBondContact NE2-SG 3.37Å; H289-C293 PolarHBondContact O-N 3.33Å; P290-C293 WeakPolarHBondContact O-CB 3.31Å; P290-C293 PolarHBondContact O-N 2.91Å; P290-C293 VanDerWaalsContact O-N 3.1Å; C293-G295 PolarHBondContact O-N 3.29Å; C293-G295 PolarHBondContact SG-N 2.99Å; C293-G295 VanDerWaalsContact SG-N 3.44Å; C293-I296 HydrophobicContact CB-CB 3.92Å; C293-I296 HydrophobicContact CB-CD1 3.67Å; C293-I296 HydrophobicContact CB-CG1 3.84Å; C293-I296 PolarHBondContact O-N 3.16Å; C293-I296 PolarHBondContact SG-N 2.88Å; C293-R297 WeakPolarHBondContact O-CG 3.48Å; C293-R297 PolarHBondContact O-N 3.15Å; C293-R297 VanDerWaalsContact O-N 3.15Å | ||
| 294 | T | 76.2 | Confident | 73 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 68% | 0.681 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.1 | -34.8 | 171.4 | 47.4 | 0 | 0 | 0 | 0 | 112 | S292 R297 A298 | S292-T294 PolarHBondContact O-N 3.06Å; T294-R297 CarbonylContact O-C 3.57Å; T294-R297 PolarHBondContact O-N 3.34Å; T294-A298 WeakPolarHBondContact O-CB 3.4Å; T294-A298 PolarHBondContact O-N 2.96Å |
| 295 | G | 77.1 | Confident | 71.8 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y275 C293 R297 A298 Y299 | Y275-G295 WeakPolarHBondContact O-CA 3.37Å; C293-G295 PolarHBondContact O-N 3.29Å; C293-G295 PolarHBondContact SG-N 2.99Å; C293-G295 VanDerWaalsContact SG-N 3.44Å; G295-R297 VanDerWaalsContact C-N 3.33Å; G295-R297 PolarHBondContact O-N 2.6Å; G295-A298 CarbonylContact O-C 3.56Å; G295-A298 WeakPolarHBondContact O-CA 3.04Å; G295-A298 WeakPolarHBondContact O-CB 3.43Å; G295-A298 PolarHBondContact O-N 3.01Å; G295-A298 VanDerWaalsContact O-N 3.09Å; G295-Y299 WeakPolarHBondContact O-CB 3.29Å; G295-Y299 PolarHBondContact O-N 3.48Å |
| 296 | I | 73.4 | Confident | 70.5 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 174.9 | -70.5 | 171.8 | 0 | 0 | 0 | 110.3 | Y275 P290 C293 A298 Y299 F300 Y315 L359 | Y275-I296 HydrophobicContact CD2-CD1 4.07Å; Y275-I296 HydrophobicContact CD2-CG1 3.34Å; Y275-I296 HydrophobicContact CE2-CD1 4.49Å; Y275-I296 HydrophobicContact CE2-CG1 3.94Å; Y275-I296 HydrophobicContact CG-CG1 3.67Å; P290-I296 HydrophobicContact CB-CD1 3.69Å; P290-I296 HydrophobicContact CG-CD1 4.21Å; C293-I296 HydrophobicContact CB-CB 3.92Å; C293-I296 HydrophobicContact CB-CD1 3.67Å; C293-I296 HydrophobicContact CB-CG1 3.84Å; C293-I296 PolarHBondContact O-N 3.16Å; C293-I296 PolarHBondContact SG-N 2.88Å; I296-A298 PolarHBondContact O-N 3.36Å; I296-Y299 PolarHBondContact O-N 2.87Å; I296-F300 HydrophobicContact CG2-CD2 3.54Å; I296-F300 HydrophobicContact CG2-CE2 3.64Å; I296-F300 WeakPolarHBondContact O-CD2 3.39Å; I296-F300 PolarHBondContact O-N 2.71Å; I296-Y315 HydrophobicContact CD1-CD2 3.28Å; I296-Y315 HydrophobicContact CD1-CE2 3.75Å; I296-Y315 HydrophobicContact CD1-CG 4.06Å; I296-Y315 HydrophobicContact CG1-CD2 4.1Å; I296-Y315 HydrophobicContact CG1-CE2 4.47Å; I296-L359 HydrophobicContact CG2-CD1 3.99Å |
| 297 | R | 70.3 | Confident | 68.7 | Low | 152 Ų | 152 | 68.8 Ų | 68.8 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.4 | -23.9 | 176 | -67.2 | 174.6 | -177.4 | -141 | 0.8 | 112.9 | A291 C293 T294 G295 R301 | A291-R297 PolarHBondContact O-NH2 2.96Å; C293-R297 WeakPolarHBondContact O-CG 3.48Å; C293-R297 PolarHBondContact O-N 3.15Å; C293-R297 VanDerWaalsContact O-N 3.15Å; T294-R297 CarbonylContact O-C 3.57Å; T294-R297 PolarHBondContact O-N 3.34Å; G295-R297 VanDerWaalsContact C-N 3.33Å; G295-R297 PolarHBondContact O-N 2.6Å; R297-R301 WeakPolarHBondContact O-CB 3.33Å; R297-R301 PolarHBondContact O-N 3.38Å |
| 298 | A | 70 | Confident | 67.1 | Low | 41 Ų | 41 | 75.7 Ų | 75.7 | 34% | 0.339 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -83.2 | -39.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T294 G295 I296 R301 N302 | T294-A298 WeakPolarHBondContact O-CB 3.4Å; T294-A298 PolarHBondContact O-N 2.96Å; G295-A298 CarbonylContact O-C 3.56Å; G295-A298 WeakPolarHBondContact O-CA 3.04Å; G295-A298 WeakPolarHBondContact O-CB 3.43Å; G295-A298 PolarHBondContact O-N 3.01Å; G295-A298 VanDerWaalsContact O-N 3.09Å; I296-A298 PolarHBondContact O-N 3.36Å; A298-R301 WeakPolarHBondContact O-CB 3.23Å; A298-R301 PolarHBondContact O-N 2.83Å; A298-N302 VanDerWaalsContact O-CG 3.23Å; A298-N302 PolarHBondContact O-N 3.22Å; A298-N302 PolarHBondContact O-OD1 3.36Å |
| 299 | Y | 70.3 | Confident | 65.7 | Low | 85 Ų | 85 | 80 Ų | 80 | 33% | 0.333 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.2 | -53 | 178 | 179.4 | -96.8 | 0 | 0 | 0 | 112 | Y275 G295 I296 R301 N302 R303 | Y275-Y299 HydrophobicContact CD1-CD1 4.12Å; Y275-Y299 AromaticContact CD1-CD2 3.9Å; Y275-Y299 HydrophobicContact CD1-CD2 3.9Å; Y275-Y299 AromaticContact CD1-CG 3.63Å; Y275-Y299 HydrophobicContact CD1-CG 3.63Å; Y275-Y299 AromaticContact CE1-CD1 3.46Å; Y275-Y299 HydrophobicContact CE1-CD1 3.46Å; Y275-Y299 VanDerWaalsContact CE1-CD1 3.46Å; Y275-Y299 AromaticContact CE1-CD2 3.67Å; Y275-Y299 HydrophobicContact CE1-CD2 3.67Å; Y275-Y299 AromaticContact CE1-CE1 3.78Å; Y275-Y299 HydrophobicContact CE1-CE1 3.78Å; Y275-Y299 AromaticContact CE1-CE2 3.97Å; Y275-Y299 HydrophobicContact CE1-CE2 3.97Å; Y275-Y299 AromaticContact CE1-CG 3.39Å; Y275-Y299 HydrophobicContact CE1-CG 3.39Å; G295-Y299 WeakPolarHBondContact O-CB 3.29Å; G295-Y299 PolarHBondContact O-N 3.48Å; I296-Y299 PolarHBondContact O-N 2.87Å; Y299-R301 VanDerWaalsContact C-N 3.25Å; Y299-R301 PolarHBondContact O-N 3.44Å; Y299-N302 PolarHBondContact O-N 2.96Å; Y299-R303 PolarHBondContact O-N 3.47Å; Y299-R303 PolarHBondContact OH-NH1 2.85Å; Y299-R303 VanDerWaalsContact OH-NH1 3.13Å |
| 300 | F | 66.8 | Low | 64.2 | Low | 23 Ų | 23 | 82.9 Ų | 82.9 | 10% | 0.101 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.9 | -32 | 172.9 | -75.7 | -71.1 | 0 | 0 | 0 | 111.6 | I296 N302 C304 L313 L359 | I296-F300 HydrophobicContact CG2-CD2 3.54Å; I296-F300 HydrophobicContact CG2-CE2 3.64Å; I296-F300 WeakPolarHBondContact O-CD2 3.39Å; I296-F300 PolarHBondContact O-N 2.71Å; F300-N302 PolarHBondContact O-N 2.7Å; F300-C304 VanDerWaalsContact O-CB 3.31Å; F300-C304 WeakPolarHBondContact O-CB 3.43Å; F300-C304 PolarHBondContact O-N 3.39Å; F300-C304 PolarHBondContact O-SG 3.15Å; F300-L313 HydrophobicContact CB-CD2 4.26Å; F300-L313 HydrophobicContact CD1-CD2 3.91Å; F300-L313 HydrophobicContact CD2-CD2 3.71Å; F300-L313 HydrophobicContact CE1-CD2 4.11Å; F300-L313 HydrophobicContact CE2-CD2 3.93Å; F300-L313 HydrophobicContact CG-CD2 3.71Å; F300-L313 HydrophobicContact CZ-CD2 4.13Å; F300-L359 HydrophobicContact CE2-CD1 4.34Å |
| 301 | R | 65.9 | Low | 62.9 | Low | 99 Ų | 99 | 86 Ų | 86 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 173.5 | 161.8 | 178 | -59.7 | -153.2 | -2.1 | 112.1 | R297 A298 Y299 R413 | R297-R301 WeakPolarHBondContact O-CB 3.33Å; R297-R301 PolarHBondContact O-N 3.38Å; A298-R301 WeakPolarHBondContact O-CB 3.23Å; A298-R301 PolarHBondContact O-N 2.83Å; Y299-R301 VanDerWaalsContact C-N 3.25Å; Y299-R301 PolarHBondContact O-N 3.44Å; R301-R413 PolarHBondContact O-NH1 3.02Å |
| 302 | N | 62.7 | Low | 62 | Low | 90 Ų | 90 | 86.6 Ų | 86.6 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74 | -46.1 | -178.8 | -63.4 | 1 | 0 | 0 | 0 | 111.3 | A298 Y299 F300 C304 Q305 | A298-N302 VanDerWaalsContact O-CG 3.23Å; A298-N302 PolarHBondContact O-N 3.22Å; A298-N302 PolarHBondContact O-OD1 3.36Å; Y299-N302 PolarHBondContact O-N 2.96Å; F300-N302 PolarHBondContact O-N 2.7Å; N302-C304 VanDerWaalsContact C-N 3.32Å; N302-C304 PolarHBondContact O-N 2.8Å; N302-Q305 WeakPolarHBondContact O-CB 3.45Å; N302-Q305 PolarHBondContact O-N 2.91Å |
| 303 | R | 60.1 | Low | 61.3 | Low | 117 Ų | 117 | 85.7 Ų | 85.7 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.8 | -31.3 | 178.8 | -98 | -172.7 | 168.5 | -170.1 | -6.8 | 114.1 | Y299 Q305 E306 S307 L311 | Y299-R303 PolarHBondContact O-N 3.47Å; Y299-R303 PolarHBondContact OH-NH1 2.85Å; Y299-R303 VanDerWaalsContact OH-NH1 3.13Å; R303-Q305 PolarHBondContact O-N 2.84Å; R303-E306 PolarHBondContact O-N 3.5Å; R303-S307 PolarHBondContact O-N 2.88Å; R303-S307 PolarHBondContact O-OG 2.97Å; R303-L311 HydrophobicContact CB-CD1 4.35Å |
| 304 | C | 52.3 | Low | 60.6 | Low | 68 Ų | 68 | 86.9 Ų | 86.9 | 46% | 0.459 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 10.5 | 169.7 | -59.5 | 0 | 0 | 0 | 0 | 113.8 | F300 N302 | F300-C304 VanDerWaalsContact O-CB 3.31Å; F300-C304 WeakPolarHBondContact O-CB 3.43Å; F300-C304 PolarHBondContact O-N 3.39Å; F300-C304 PolarHBondContact O-SG 3.15Å; N302-C304 VanDerWaalsContact C-N 3.32Å; N302-C304 PolarHBondContact O-N 2.8Å |
| 305 | Q | 51.4 | Low | 60.4 | Low | 134 Ų | 134 | 81.6 Ų | 81.6 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -1.1 | 164.8 | -59.9 | -173.4 | -105.8 | 0 | 0 | 112.4 | N302 R303 | N302-Q305 WeakPolarHBondContact O-CB 3.45Å; N302-Q305 PolarHBondContact O-N 2.91Å; R303-Q305 PolarHBondContact O-N 2.84Å |
| 306 | E | 52 | Low | 60.4 | Low | 156 Ų | 156 | 88.2 Ų | 88.2 | 73% | 0.729 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | -13.2 | -175.4 | -66.1 | 174.3 | 158.6 | 0 | 0 | 113 | R303 | R303-E306 PolarHBondContact O-N 3.5Š|
| 307 | S | 45 | Very low | 60.8 | Low | 48 Ų | 48 | 88.4 Ų | 88.4 | 34% | 0.336 | 42% | 0.424 | S | S | . | . | trans | -140.2 | 122.2 | 175.3 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | R303 K309 | R303-S307 PolarHBondContact O-N 2.88Å; R303-S307 PolarHBondContact O-OG 2.97Å; S307-K309 PolarHBondContact O-N 2.92Å | ||
| 308 | E | 47.6 | Very low | 61.5 | Low | 207 Ų | 207 | 84.5 Ų | 84.5 | 97% | 0.967 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -65.6 | -16.7 | 175.4 | -79 | 176.8 | 134.7 | 0 | 0 | 114.2 | ||
| 309 | K | 47.6 | Very low | 62.4 | Low | 178 Ų | 178 | 82.8 Ų | 82.8 | 77% | 0.774 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -82.2 | 129.7 | -178.8 | -62.1 | -165.6 | 175.8 | -167.8 | 0 | 111.2 | S307 L311 | S307-K309 PolarHBondContact O-N 2.92Å; K309-L311 PolarHBondContact O-N 2.91Å |
| 310 | V | 50.5 | Low | 63.3 | Low | 77 Ų | 77 | 80 Ų | 80 | 47% | 0.467 | 39% | 0.386 | S | S | . | . | trans | -59 | 97 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | P312 M406 N407 | V310-P312 WeakPolarHBondContact O-CD 3.49Å; V310-M406 HydrophobicContact CG1-CB 4.49Å; V310-M406 HydrophobicContact CG1-SD 4.45Å; V310-N407 HydrophobicContact CG1-CB 3.84Å; V310-N407 VanDerWaalsContact CG1-ND2 3.33Å; V310-N407 WeakPolarHBondContact CG1-ND2 3.41Å | ||
| 311 | L | 52.6 | Low | 64.4 | Low | 68 Ų | 68 | 81.4 Ų | 81.4 | 36% | 0.356 | 39% | 0.391 | S | S | . | . | trans | -77 | 119 | 175.3 | -72.8 | 172.3 | 0 | 0 | 0 | 109.6 | R303 K309 | R303-L311 HydrophobicContact CB-CD1 4.35Å; K309-L311 PolarHBondContact O-N 2.91Å | ||
| 312 | P | 53.8 | Low | 65.5 | Low | 67 Ų | 67 | 76.7 Ų | 76.7 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | trans | -63.3 | 140.8 | 179.4 | 26.6 | -34.8 | 0 | 0 | 0 | 110.5 | V310 V314 | V310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-V314 HydrophobicContact CB-CG2 4.26Å; P312-V314 HydrophobicContact CG-CG2 4.44Å; P312-V314 PolarHBondContact O-N 2.84Å | ||
| 313 | L | 62.3 | Low | 66.6 | Low | 62 Ų | 62 | 73.9 Ų | 73.9 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | trans | -72.8 | 57.9 | -176.3 | -71.8 | 170.6 | 0 | 0 | 0 | 112.6 | F300 L359 | F300-L313 HydrophobicContact CB-CD2 4.26Å; F300-L313 HydrophobicContact CD1-CD2 3.91Å; F300-L313 HydrophobicContact CD2-CD2 3.71Å; F300-L313 HydrophobicContact CE1-CD2 4.11Å; F300-L313 HydrophobicContact CE2-CD2 3.93Å; F300-L313 HydrophobicContact CG-CD2 3.71Å; F300-L313 HydrophobicContact CZ-CD2 4.13Å; L313-L359 HydrophobicContact CB-CB 4.07Å; L313-L359 HydrophobicContact CB-CD1 4.1Å; L313-L359 VanDerWaalsContact O-CB 3.31Å; L313-L359 WeakPolarHBondContact O-CB 3.4Å; L313-L359 WeakPolarHBondContact O-CG 3.23Å; L313-L359 PolarHBondContact O-N 3.32Å | ||
| 314 | V | 64.6 | Low | 67.6 | Low | 25 Ų | 25 | 73.6 Ų | 73.6 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 111.2 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | P312 R316 R356 | P312-V314 HydrophobicContact CB-CG2 4.26Å; P312-V314 HydrophobicContact CG-CG2 4.44Å; P312-V314 PolarHBondContact O-N 2.84Å; V314-R316 HydrophobicContact CB-CG 4.48Å; V314-R316 HydrophobicContact CG1-CG 3.88Å; V314-R316 PolarHBondContact O-N 3.27Å; V314-R356 HydrophobicContact CG1-CB 3.65Å; V314-R356 HydrophobicContact CG1-CG 4.05Å |
| 315 | Y | 72.6 | Confident | 69 | Low | 1 Ų | 1 | 72.9 Ų | 72.9 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 117.1 | 162.6 | 170.8 | -111.6 | 0 | 0 | 0 | 108.5 | Y275 F286 P290 I296 C317 R356 V357 | Y275-Y315 HydrophobicContact CD2-CD2 4.02Å; Y275-Y315 AromaticContact CD2-CE2 3.74Å; Y275-Y315 HydrophobicContact CD2-CE2 3.74Å; Y275-Y315 AromaticContact CE2-CD2 3.61Å; Y275-Y315 HydrophobicContact CE2-CD2 3.61Å; Y275-Y315 AromaticContact CE2-CE2 3.62Å; Y275-Y315 HydrophobicContact CE2-CE2 3.62Å; F286-Y315 HydrophobicContact CE1-CE1 4.27Å; F286-Y315 VanDerWaalsContact CE2-OH 3.25Å; F286-Y315 WeakPolarHBondContact CE2-OH 3.34Å; F286-Y315 HydrophobicContact CZ-CE1 4.16Å; F286-Y315 WeakPolarHBondContact CZ-OH 2.87Å; P290-Y315 HydrophobicContact CB-CD1 4.21Å; P290-Y315 HydrophobicContact CB-CD2 4.36Å; P290-Y315 HydrophobicContact CB-CG 3.93Å; P290-Y315 HydrophobicContact CG-CD1 3.37Å; P290-Y315 HydrophobicContact CG-CD2 4.03Å; P290-Y315 HydrophobicContact CG-CE1 3.65Å; P290-Y315 HydrophobicContact CG-CE2 4.26Å; P290-Y315 HydrophobicContact CG-CG 3.55Å; I296-Y315 HydrophobicContact CD1-CD2 3.28Å; I296-Y315 HydrophobicContact CD1-CE2 3.75Å; I296-Y315 HydrophobicContact CD1-CG 4.06Å; I296-Y315 HydrophobicContact CG1-CD2 4.1Å; I296-Y315 HydrophobicContact CG1-CE2 4.47Å; Y315-C317 HydrophobicContact CE1-CB 4.12Å; Y315-C317 VanDerWaalsContact CE1-SG 3.51Å; Y315-R356 WeakPolarHBondContact O-CA 3.28Å; Y315-V357 HydrophobicContact CD1-CB 4.08Å; Y315-V357 HydrophobicContact CD1-CG2 4.02Å; Y315-V357 PolarHBondContact N-O 3.23Å; Y315-V357 PolarHBondContact O-N 3.21Å |
| 316 | R | 75.9 | Confident | 70.6 | Confident | 150 Ų | 150 | 70.9 Ų | 70.9 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.9 | 176.3 | -62.1 | -178.4 | -176.5 | -175.4 | 0.4 | 108.7 | V314 L355 | V314-R316 HydrophobicContact CB-CG 4.48Å; V314-R316 HydrophobicContact CG1-CG 3.88Å; V314-R316 PolarHBondContact O-N 3.27Å; R316-L355 WeakPolarHBondContact CA-O 3.16Å |
| 317 | C | 82.1 | Confident | 72.1 | Confident | 9 Ų | 9 | 64 Ų | 64 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.2 | 166.6 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | P274 F286 Y315 L355 | P274-C317 HydrophobicContact CG-CB 4.48Å; F286-C317 HydrophobicContact CZ-CB 4.39Å; Y315-C317 HydrophobicContact CE1-CB 4.12Å; Y315-C317 VanDerWaalsContact CE1-SG 3.51Å; C317-L355 PolarHBondContact N-O 3.18Å; C317-L355 VanDerWaalsContact N-O 3.15Å; C317-L355 PolarHBondContact O-N 3.29Å |
| 318 | H | 84.6 | Confident | 74.1 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 32% | 0.324 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 139.6 | 168 | -54.6 | -59.1 | 0 | 0 | 0 | 109.3 | Y320 R352 E353 H354 | H318-Y320 HydrophobicContact CB-CE2 3.91Å; H318-R352 HydrophobicContact CB-CG 4.45Å; H318-R352 PolarHBondContact CD2-NH2 2.77Å; H318-R352 PolarHBondContact CE1-NH2 2.86Å; H318-R352 PolarHBondContact ND1-NE 3.05Å; H318-R352 PolarHBondContact ND1-NH2 2.97Å; H318-R352 PolarHBondContact NE2-NH2 3Å; H318-E353 WeakPolarHBondContact CA-O 3.32Å; H318-H354 AromaticContact CE1-CE1 3.33Å; H318-H354 PolarHBondContact CE1-CE1 3.1Å; H318-H354 AromaticContact CE1-ND1 3.84Å; H318-H354 AromaticContact CE1-NE2 3.41Å; H318-H354 PolarHBondContact CE1-NE2 3.09Å; H318-H354 AromaticContact ND1-CD2 3.53Å; H318-H354 AromaticContact ND1-CE1 3.6Å; H318-H354 AromaticContact ND1-CG 3.93Å; H318-H354 AromaticContact ND1-ND1 3.95Å; H318-H354 AromaticContact ND1-NE2 3.25Å; H318-H354 PolarHBondContact ND1-NE2 3.05Å |
| 319 | I | 89.1 | Confident | 76.1 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.6 | 174.5 | -60.7 | -167 | 0 | 0 | 0 | 106.8 | W283 F286 V328 E353 L355 | W283-I319 HydrophobicContact CH2-CD1 3.4Å; W283-I319 VanDerWaalsContact CH2-CD1 3.4Å; W283-I319 HydrophobicContact CH2-CG2 4.13Å; W283-I319 HydrophobicContact CZ2-CD1 4.37Å; W283-I319 HydrophobicContact CZ3-CD1 3.75Å; W283-I319 HydrophobicContact CZ3-CG2 4.17Å; F286-I319 HydrophobicContact CE1-CD1 4.06Å; I319-V328 HydrophobicContact CG2-CG1 3.19Å; I319-E353 PolarHBondContact N-O 2.87Å; I319-E353 PolarHBondContact O-N 2.96Å; I319-L355 HydrophobicContact CD1-CB 3.62Å; I319-L355 HydrophobicContact CD1-CD2 3.62Å; I319-L355 HydrophobicContact CD1-CG 4.14Å; I319-L355 HydrophobicContact CG1-CB 4.04Å |
| 320 | Y | 89.7 | Confident | 77.9 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.5 | 179.2 | -57.1 | -86.5 | 0 | 0 | 0 | 108.1 | H318 S329 T330 Q332 V350 Y351 R352 | H318-Y320 HydrophobicContact CB-CE2 3.91Å; Y320-S329 PolarHBondContact N-O 2.83Å; Y320-S329 PolarHBondContact O-N 2.67Å; Y320-S329 VanDerWaalsContact O-O 3.12Å; Y320-T330 WeakPolarHBondContact CD2-O 3.21Å; Y320-T330 WeakPolarHBondContact CE2-O 3.25Å; Y320-Q332 HydrophobicContact CD1-CB 3.8Å; Y320-Q332 HydrophobicContact CD1-CG 3.71Å; Y320-Q332 HydrophobicContact CD2-CB 3.89Å; Y320-Q332 HydrophobicContact CE1-CB 3.73Å; Y320-Q332 HydrophobicContact CE1-CG 3.74Å; Y320-Q332 HydrophobicContact CE2-CB 3.84Å; Y320-Q332 HydrophobicContact CG-CB 3.88Å; Y320-Q332 HydrophobicContact CG-CG 4.2Å; Y320-V350 HydrophobicContact CD1-CG1 4.16Å; Y320-Y351 CarbonylContact C-O 3.59Å; Y320-Y351 VanDerWaalsContact CA-O 3.24Å; Y320-Y351 WeakPolarHBondContact CA-O 3.05Å; Y320-R352 HydrophobicContact CD1-CB 3.94Å; Y320-R352 HydrophobicContact CD1-CG 4.06Å; Y320-R352 HydrophobicContact CE1-CB 3.86Å; Y320-R352 HydrophobicContact CE1-CG 3.56Å |
| 321 | W | 89.9 | Confident | 79.6 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 20% | 0.201 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152.4 | 178.4 | 59 | -94.5 | 0 | 0 | 0 | 112.8 | V327 V328 Y351 E353 | W321-V327 CarbonylContact C-O 3.56Å; W321-V327 WeakPolarHBondContact CA-O 3.46Å; W321-V327 WeakPolarHBondContact CB-O 3.47Å; W321-V328 HydrophobicContact CB-CG1 4.49Å; W321-V328 HydrophobicContact CB-CG2 4.13Å; W321-Y351 HydrophobicContact CD2-CD2 4.43Å; W321-Y351 HydrophobicContact CE3-CD2 4.05Å; W321-Y351 AromaticContact CH2-CD2 3.54Å; W321-Y351 HydrophobicContact CH2-CD2 3.54Å; W321-Y351 HydrophobicContact CH2-CE2 4.12Å; W321-Y351 HydrophobicContact CH2-CG 4.05Å; W321-Y351 AromaticContact CZ2-CD2 3.97Å; W321-Y351 HydrophobicContact CZ2-CD2 3.97Å; W321-Y351 AromaticContact CZ2-CG 3.99Å; W321-Y351 HydrophobicContact CZ2-CG 3.99Å; W321-Y351 AromaticContact CZ3-CD2 3.6Å; W321-Y351 HydrophobicContact CZ3-CD2 3.6Å; W321-Y351 HydrophobicContact CZ3-CE2 4.29Å; W321-Y351 HydrophobicContact CZ3-CG 4.37Å; W321-Y351 PolarHBondContact N-O 3.28Å; W321-Y351 PolarHBondContact O-N 2.84Å; W321-E353 PolarHBondContact NE1-OE2 3.18Å; W321-E353 VanDerWaalsContact NE1-OE2 3.07Å |
| 322 | C | 88.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.6 | 179.5 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | K324 C325 Q326 V327 I335 H338 V339 H343 | C322-K324 PolarHBondContact O-N 3.12Å; C322-K324 VanDerWaalsContact O-N 3.13Å; C322-C325 VanDerWaalsContact SG-SG 3.69Å; C322-Q326 WeakPolarHBondContact O-CA 3.3Å; C322-Q326 PolarHBondContact O-N 2.85Å; C322-V327 HydrophobicContact CB-CB 4.41Å; C322-V327 PolarHBondContact N-O 3.26Å; C322-I335 HydrophobicContact CB-CG2 4.38Å; C322-H338 WeakPolarHBondContact CB-NE2 3.49Å; C322-H338 PolarHBondContact SG-NE2 2.85Å; C322-H338 VanDerWaalsContact SG-NE2 3.41Å; C322-V339 HydrophobicContact CB-CG2 4.23Å; C322-H343 PolarHBondContact SG-CD2 2.85Å; C322-H343 PolarHBondContact SG-NE2 2.78Å |
| 323 | S | 87.4 | Confident | 82.8 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -36.8 | 175.9 | 52.6 | 0 | 0 | 0 | 0 | 115.4 | A348 S349 | S323-A348 VanDerWaalsContact OG-CA 3.29Å; S323-A348 WeakPolarHBondContact OG-CA 3.46Å; S323-S349 WeakPolarHBondContact CB-O 3.39Å; S323-S349 PolarHBondContact N-O 2.74Å; S323-S349 VanDerWaalsContact N-O 3.13Å; S323-S349 PolarHBondContact OG-N 3.3Å; S323-S349 PolarHBondContact OG-O 2.88Å |
| 324 | K | 81 | Confident | 83.9 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -40.8 | -173.8 | -95.7 | -162 | 159 | -167.1 | 0 | 115.4 | C322 E347 A348 | C322-K324 PolarHBondContact O-N 3.12Å; C322-K324 VanDerWaalsContact O-N 3.13Å; K324-E347 HydrophobicContact CD-CB 4.25Å; K324-E347 WeakPolarHBondContact CD-O 3.39Å; K324-E347 VanDerWaalsContact CE-O 3.28Å; K324-E347 WeakPolarHBondContact CE-O 3.39Å; K324-E347 WeakPolarHBondContact CG-O 3.49Å; K324-E347 IonicContact NZ-OE2 2.93Å; K324-E347 PolarHBondContact NZ-OE2 2.82Å; K324-A348 HydrophobicContact CB-CB 4.18Å; K324-A348 HydrophobicContact CD-CB 4.29Å; K324-A348 HydrophobicContact CG-CB 4.11Å |
| 325 | C | 81.4 | Confident | 85 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 5.2 | -169.9 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | C322 V327 H338 H343 | C322-C325 VanDerWaalsContact SG-SG 3.69Å; C325-V327 HydrophobicContact CB-CG2 4.4Å; C325-V327 PolarHBondContact O-N 3.47Å; C325-V327 VanDerWaalsContact O-N 3.12Å; C325-V327 WeakPolarHBondContact SG-CG2 3.2Å; C325-H338 PolarHBondContact SG-CE1 3.06Å; C325-H338 PolarHBondContact SG-NE2 3.08Å; C325-H343 PolarHBondContact SG-NE2 2.91Å |
| 326 | Q | 85 | Confident | 85.5 | Confident | 92 Ų | 92 | 50.1 Ų | 50.1 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | trans | 58.8 | 23.9 | 176.7 | -58.1 | -67 | -20.9 | 0 | 0 | 114 | P266 C322 V328 | P266-Q326 HydrophobicContact CB-CB 4.47Å; P266-Q326 WeakPolarHBondContact CB-O 3.27Å; C322-Q326 WeakPolarHBondContact O-CA 3.3Å; C322-Q326 PolarHBondContact O-N 2.85Å; Q326-V328 VanDerWaalsContact O-CG2 3.24Å; Q326-V328 WeakPolarHBondContact O-CG2 3.37Å | ||
| 327 | V | 83.3 | Confident | 85.8 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | trans | -69.3 | 139 | 171.7 | 172 | 0 | 0 | 0 | 0 | 110 | F267 F269 W321 C322 C325 I335 | F267-V327 HydrophobicContact CB-CG2 4.17Å; F267-V327 HydrophobicContact CD1-CG1 4.24Å; F267-V327 WeakPolarHBondContact O-CA 3.31Å; F269-V327 HydrophobicContact CD2-CG1 3.5Å; F269-V327 VanDerWaalsContact CD2-CG1 3.5Å; F269-V327 HydrophobicContact CE2-CG1 3.17Å; F269-V327 HydrophobicContact CG-CG1 4.32Å; F269-V327 HydrophobicContact CZ-CG1 3.76Å; W321-V327 CarbonylContact C-O 3.56Å; W321-V327 WeakPolarHBondContact CA-O 3.46Å; W321-V327 WeakPolarHBondContact CB-O 3.47Å; C322-V327 HydrophobicContact CB-CB 4.41Å; C322-V327 PolarHBondContact N-O 3.26Å; C325-V327 HydrophobicContact CB-CG2 4.4Å; C325-V327 PolarHBondContact O-N 3.47Å; C325-V327 VanDerWaalsContact O-N 3.12Å; C325-V327 WeakPolarHBondContact SG-CG2 3.2Å; V327-I335 HydrophobicContact CG1-CD1 4.03Å | ||
| 328 | V | 86.3 | Confident | 86 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.7 | -167.3 | -166.5 | 0 | 0 | 0 | 0 | 114.1 | P266 F267 V268 F269 W283 I319 W321 Q326 | P266-V328 HydrophobicContact CB-CG2 4.28Å; F267-V328 PolarHBondContact O-N 2.85Å; V268-V328 WeakPolarHBondContact CA-O 3.45Å; F269-V328 PolarHBondContact N-O 3.25Å; W283-V328 HydrophobicContact CE3-CG1 4.49Å; W283-V328 HydrophobicContact CH2-CG1 4.26Å; W283-V328 HydrophobicContact CZ3-CG1 3.64Å; I319-V328 HydrophobicContact CG2-CG1 3.19Å; W321-V328 HydrophobicContact CB-CG1 4.49Å; W321-V328 HydrophobicContact CB-CG2 4.13Å; Q326-V328 VanDerWaalsContact O-CG2 3.24Å; Q326-V328 WeakPolarHBondContact O-CG2 3.37Å |
| 329 | S | 89.7 | Confident | 86 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 157.9 | 175.9 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | L270 Y320 E331 | L270-S329 CarbonylContact O-C 3.6Å; L270-S329 WeakPolarHBondContact O-CA 3.26Å; L270-S329 PolarHBondContact O-OG 3.34Å; Y320-S329 PolarHBondContact N-O 2.83Å; Y320-S329 PolarHBondContact O-N 2.67Å; Y320-S329 VanDerWaalsContact O-O 3.12Å; S329-E331 PolarHBondContact OG-N 3.23Å; S329-E331 PolarHBondContact OG-O 2.85Å; S329-E331 VanDerWaalsContact OG-O 3.08Å |
| 330 | T | 86.5 | Confident | 85.6 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -85.9 | -15.3 | 162.5 | 52 | 0 | 0 | 0 | 0 | 113.2 | L270 L271 R272 F286 Y320 | L270-T330 PolarHBondContact O-N 2.88Å; L270-T330 PolarHBondContact O-OG1 2.93Å; L271-T330 HydrophobicContact CB-CG2 4.22Å; L271-T330 HydrophobicContact CD2-CG2 4.11Å; R272-T330 PolarHBondContact N-OG1 3.02Å; F286-T330 HydrophobicContact CE1-CG2 4.15Å; F286-T330 HydrophobicContact CE2-CG2 3.93Å; F286-T330 HydrophobicContact CZ-CG2 3.48Å; F286-T330 VanDerWaalsContact CZ-CG2 3.48Å; Y320-T330 WeakPolarHBondContact CD2-O 3.21Å; Y320-T330 WeakPolarHBondContact CE2-O 3.25Å |
| 331 | E | 84.7 | Confident | 84.9 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 28% | 0.28 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -104.8 | 114.6 | -178.6 | -62.1 | -169 | 166.5 | 0 | 0 | 109.6 | R272 S329 K333 L334 | R272-E331 WeakPolarHBondContact CD-OE1 3.49Å; R272-E331 IonicContact CZ-OE1 3.64Å; R272-E331 IonicContact NE-OE1 2.68Å; R272-E331 IonicContact NH1-OE1 3.06Å; R272-E331 PolarHBondContact NH1-OE1 3.16Å; S329-E331 PolarHBondContact OG-N 3.23Å; S329-E331 PolarHBondContact OG-O 2.85Å; S329-E331 VanDerWaalsContact OG-O 3.08Å; E331-K333 VanDerWaalsContact C-N 3.26Å; E331-K333 PolarHBondContact O-N 3.24Å; E331-L334 HydrophobicContact CB-CD1 4.22Å; E331-L334 HydrophobicContact CB-CG 4.38Å; E331-L334 PolarHBondContact O-N 3.22Å |
| 332 | Q | 88.7 | Confident | 84.4 | Confident | 106 Ų | 106 | 49.3 Ų | 49.3 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.5 | -37.8 | -174.8 | -173.7 | 177 | -11.2 | 0 | 0 | 112.9 | Y320 L334 I335 A336 V350 | Y320-Q332 HydrophobicContact CD1-CB 3.8Å; Y320-Q332 HydrophobicContact CD1-CG 3.71Å; Y320-Q332 HydrophobicContact CD2-CB 3.89Å; Y320-Q332 HydrophobicContact CE1-CB 3.73Å; Y320-Q332 HydrophobicContact CE1-CG 3.74Å; Y320-Q332 HydrophobicContact CE2-CB 3.84Å; Y320-Q332 HydrophobicContact CG-CB 3.88Å; Y320-Q332 HydrophobicContact CG-CG 4.2Å; Q332-L334 VanDerWaalsContact C-N 3.35Å; Q332-L334 PolarHBondContact O-N 2.97Å; Q332-I335 PolarHBondContact O-N 3.36Å; Q332-I335 VanDerWaalsContact O-N 3.09Å; Q332-A336 PolarHBondContact O-N 3.25Å; Q332-V350 HydrophobicContact CG-CG1 4.35Å |
| 333 | K | 85.5 | Confident | 84.1 | Confident | 159 Ų | 159 | 51.3 Ų | 51.3 | 69% | 0.691 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -56.8 | -45.9 | -178.7 | -67.7 | -164.5 | 173.9 | -165 | 0 | 112.2 | E331 I335 A336 E337 | E331-K333 VanDerWaalsContact C-N 3.26Å; E331-K333 PolarHBondContact O-N 3.24Å; K333-I335 PolarHBondContact O-N 2.94Å; K333-A336 PolarHBondContact O-N 3.38Å; K333-A336 VanDerWaalsContact O-N 3.11Å; K333-E337 WeakPolarHBondContact O-CB 3.44Å; K333-E337 VanDerWaalsContact O-CG 3.24Å; K333-E337 WeakPolarHBondContact O-CG 3.24Å; K333-E337 PolarHBondContact O-N 3.39Å |
| 334 | L | 85.8 | Confident | 83.6 | Confident | 46 Ų | 46 | 53 Ų | 53 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -28.7 | 178.8 | -60 | 176.5 | 0 | 0 | 0 | 113.1 | F269 L270 E331 Q332 H338 | F269-L334 HydrophobicContact CB-CB 4.42Å; F269-L334 HydrophobicContact CB-CD1 4.19Å; F269-L334 HydrophobicContact CD2-CB 4.24Å; F269-L334 WeakPolarHBondContact CE2-O 3.43Å; L270-L334 HydrophobicContact CB-CD1 3.68Å; L270-L334 HydrophobicContact CD2-CD1 4.11Å; E331-L334 HydrophobicContact CB-CD1 4.22Å; E331-L334 HydrophobicContact CB-CG 4.38Å; E331-L334 PolarHBondContact O-N 3.22Å; Q332-L334 VanDerWaalsContact C-N 3.35Å; Q332-L334 PolarHBondContact O-N 2.97Å; L334-H338 WeakPolarHBondContact O-CB 3.07Å; L334-H338 PolarHBondContact O-N 2.98Å |
| 335 | I | 86.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -87.7 | -31.8 | 176.5 | -56.9 | -68.9 | 0 | 0 | 0 | 111.3 | F269 C322 V327 Q332 K333 V339 V350 | F269-I335 HydrophobicContact CD2-CD1 3.79Å; F269-I335 HydrophobicContact CE2-CD1 4.05Å; C322-I335 HydrophobicContact CB-CG2 4.38Å; V327-I335 HydrophobicContact CG1-CD1 4.03Å; Q332-I335 PolarHBondContact O-N 3.36Å; Q332-I335 VanDerWaalsContact O-N 3.09Å; K333-I335 PolarHBondContact O-N 2.94Å; I335-V339 HydrophobicContact CG2-CG2 4.4Å; I335-V339 VanDerWaalsContact O-CB 3.29Å; I335-V339 WeakPolarHBondContact O-CB 3.45Å; I335-V339 VanDerWaalsContact O-CG2 3.26Å; I335-V339 WeakPolarHBondContact O-CG2 3.23Å; I335-V339 PolarHBondContact O-N 2.92Å; I335-V350 HydrophobicContact CB-CG1 4.23Å; I335-V350 HydrophobicContact CG2-CB 4.36Å; I335-V350 HydrophobicContact CG2-CG1 3.81Å; I335-V350 HydrophobicContact CG2-CG2 4.14Å |
| 336 | A | 83.8 | Confident | 82.5 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.5 | -50 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q332 K333 H338 V339 T340 V350 | Q332-A336 PolarHBondContact O-N 3.25Å; K333-A336 PolarHBondContact O-N 3.38Å; K333-A336 VanDerWaalsContact O-N 3.11Å; A336-H338 PolarHBondContact O-N 2.83Å; A336-V339 PolarHBondContact O-N 3.49Å; A336-V339 VanDerWaalsContact O-N 3.16Å; A336-T340 PolarHBondContact O-N 3.01Å; A336-T340 PolarHBondContact O-OG1 2.94Å; A336-T340 VanDerWaalsContact O-OG1 3.11Å; A336-V350 HydrophobicContact CB-CG2 4.32Å |
| 337 | E | 82.9 | Confident | 82 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -51.5 | -55.5 | 171.6 | -72.6 | 157.2 | -151.9 | 0 | 0 | 109.9 | K333 V339 T340 Y341 | K333-E337 WeakPolarHBondContact O-CB 3.44Å; K333-E337 VanDerWaalsContact O-CG 3.24Å; K333-E337 WeakPolarHBondContact O-CG 3.24Å; K333-E337 PolarHBondContact O-N 3.39Å; E337-V339 PolarHBondContact O-N 2.93Å; E337-T340 WeakPolarHBondContact CA-OG1 3.39Å; E337-T340 CarbonylContact O-C 3.6Å; E337-T340 PolarHBondContact O-N 3.47Å; E337-T340 PolarHBondContact O-OG1 3.31Å; E337-Y341 HydrophobicContact CB-CD2 4.38Å; E337-Y341 HydrophobicContact CB-CE2 4.04Å; E337-Y341 VanDerWaalsContact O-CB 3.28Å; E337-Y341 WeakPolarHBondContact O-CB 3.43Å; E337-Y341 WeakPolarHBondContact O-CD1 3.35Å; E337-Y341 PolarHBondContact O-N 2.85Å |
| 338 | H | 84.5 | Confident | 81.7 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 176.8 | 160 | 65.1 | 0 | 0 | 0 | 114.6 | F269 C322 C325 L334 A336 T340 Y341 S342 H343 | F269-H338 HydrophobicContact CE2-CB 3.41Å; F269-H338 VanDerWaalsContact CE2-CB 3.41Å; F269-H338 AromaticContact CE2-CG 3.6Å; F269-H338 HydrophobicContact CZ-CB 3.6Å; F269-H338 AromaticContact CZ-CG 3.74Å; F269-H338 AromaticContact CZ-ND1 3.98Å; C322-H338 WeakPolarHBondContact CB-NE2 3.49Å; C322-H338 PolarHBondContact SG-NE2 2.85Å; C322-H338 VanDerWaalsContact SG-NE2 3.41Å; C325-H338 PolarHBondContact SG-CE1 3.06Å; C325-H338 PolarHBondContact SG-NE2 3.08Å; L334-H338 WeakPolarHBondContact O-CB 3.07Å; L334-H338 PolarHBondContact O-N 2.98Å; A336-H338 PolarHBondContact O-N 2.83Å; H338-T340 VanDerWaalsContact C-N 3.34Å; H338-Y341 PolarHBondContact O-N 3.4Å; H338-S342 VanDerWaalsContact CE1-CB 3.43Å; H338-S342 WeakPolarHBondContact CE1-CB 3.44Å; H338-S342 PolarHBondContact CE1-OG 2.89Å; H338-S342 VanDerWaalsContact ND1-CB 3.34Å; H338-S342 WeakPolarHBondContact ND1-CB 3.5Å; H338-S342 PolarHBondContact ND1-OG 3.1Å; H338-S342 WeakPolarHBondContact O-CA 3.2Å; H338-S342 VanDerWaalsContact O-CB 3.3Å; H338-S342 WeakPolarHBondContact O-CB 3.43Å; H338-S342 PolarHBondContact O-N 3.06Å; H338-S342 PolarHBondContact O-OG 3.38Å; H338-H343 AromaticContact CE1-NE2 3.65Å; H338-H343 AromaticContact NE2-CD2 3.99Å; H338-H343 AromaticContact NE2-NE2 3.68Å |
| 339 | V | 84.7 | Confident | 81.5 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 173.3 | 160.3 | 0 | 0 | 0 | 0 | 110.9 | C322 I335 A336 E337 H343 A348 V350 | C322-V339 HydrophobicContact CB-CG2 4.23Å; I335-V339 HydrophobicContact CG2-CG2 4.4Å; I335-V339 VanDerWaalsContact O-CB 3.29Å; I335-V339 WeakPolarHBondContact O-CB 3.45Å; I335-V339 VanDerWaalsContact O-CG2 3.26Å; I335-V339 WeakPolarHBondContact O-CG2 3.23Å; I335-V339 PolarHBondContact O-N 2.92Å; A336-V339 PolarHBondContact O-N 3.49Å; A336-V339 VanDerWaalsContact O-N 3.16Å; E337-V339 PolarHBondContact O-N 2.93Å; V339-H343 CarbonylContact O-C 3.59Å; V339-H343 PolarHBondContact O-N 3.24Å; V339-H343 VanDerWaalsContact O-O 3.05Å; V339-A348 HydrophobicContact CG1-CB 4.21Å; V339-A348 VanDerWaalsContact CG1-O 3.24Å; V339-A348 WeakPolarHBondContact CG1-O 3.34Å; V339-A348 HydrophobicContact CG2-CB 4.39Å; V339-V350 HydrophobicContact CB-CG2 4.19Å; V339-V350 HydrophobicContact CG2-CG2 3.92Å |
| 340 | T | 80.8 | Confident | 81.4 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -75.2 | -21.4 | 175 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | A336 E337 H338 | A336-T340 PolarHBondContact O-N 3.01Å; A336-T340 PolarHBondContact O-OG1 2.94Å; A336-T340 VanDerWaalsContact O-OG1 3.11Å; E337-T340 WeakPolarHBondContact CA-OG1 3.39Å; E337-T340 CarbonylContact O-C 3.6Å; E337-T340 PolarHBondContact O-N 3.47Å; E337-T340 PolarHBondContact O-OG1 3.31Å; H338-T340 VanDerWaalsContact C-N 3.34Å |
| 341 | Y | 75.8 | Confident | 81.4 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -102.6 | -46 | -172.9 | -61.4 | -1.5 | 0 | 0 | 0 | 111.5 | T230 I231 E337 H338 | T230-Y341 WeakPolarHBondContact CB-O 3.44Å; T230-Y341 WeakPolarHBondContact CG2-O 3.46Å; T230-Y341 PolarHBondContact OG1-O 3.24Å; I231-Y341 HydrophobicContact CB-CD1 3.6Å; I231-Y341 HydrophobicContact CB-CE1 3.58Å; I231-Y341 HydrophobicContact CB-CG 4.27Å; I231-Y341 HydrophobicContact CD1-CD1 3.91Å; I231-Y341 HydrophobicContact CD1-CE1 4.2Å; I231-Y341 HydrophobicContact CG1-CD1 4.1Å; I231-Y341 HydrophobicContact CG1-CE1 4.4Å; I231-Y341 HydrophobicContact CG2-CD1 4.19Å; I231-Y341 HydrophobicContact CG2-CE1 3.65Å; I231-Y341 WeakPolarHBondContact O-CE2 3.32Å; E337-Y341 HydrophobicContact CB-CD2 4.38Å; E337-Y341 HydrophobicContact CB-CE2 4.04Å; E337-Y341 VanDerWaalsContact O-CB 3.28Å; E337-Y341 WeakPolarHBondContact O-CB 3.43Å; E337-Y341 WeakPolarHBondContact O-CD1 3.35Å; E337-Y341 PolarHBondContact O-N 2.85Å; H338-Y341 PolarHBondContact O-N 3.4Å |
| 342 | S | 79.1 | Confident | 81.5 | Confident | 72 Ų | 72 | 72.4 Ų | 72.4 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -90 | -10 | -177.2 | -52.5 | 0 | 0 | 0 | 0 | 114.2 | H338 | H338-S342 VanDerWaalsContact CE1-CB 3.43Å; H338-S342 WeakPolarHBondContact CE1-CB 3.44Å; H338-S342 PolarHBondContact CE1-OG 2.89Å; H338-S342 VanDerWaalsContact ND1-CB 3.34Å; H338-S342 WeakPolarHBondContact ND1-CB 3.5Å; H338-S342 PolarHBondContact ND1-OG 3.1Å; H338-S342 WeakPolarHBondContact O-CA 3.2Å; H338-S342 VanDerWaalsContact O-CB 3.3Å; H338-S342 WeakPolarHBondContact O-CB 3.43Å; H338-S342 PolarHBondContact O-N 3.06Å; H338-S342 PolarHBondContact O-OG 3.38Å |
| 343 | H | 82.7 | Confident | 81.3 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -140.6 | 159.7 | -175.8 | -58.7 | -52.6 | 0 | 0 | 0 | 113 | C322 C325 H338 V339 A348 | C322-H343 PolarHBondContact SG-CD2 2.85Å; C322-H343 PolarHBondContact SG-NE2 2.78Å; C325-H343 PolarHBondContact SG-NE2 2.91Å; H338-H343 AromaticContact CE1-NE2 3.65Å; H338-H343 AromaticContact NE2-CD2 3.99Å; H338-H343 AromaticContact NE2-NE2 3.68Å; V339-H343 CarbonylContact O-C 3.59Å; V339-H343 PolarHBondContact O-N 3.24Å; V339-H343 VanDerWaalsContact O-O 3.05Å; H343-A348 HydrophobicContact CB-CB 3.5Å; H343-A348 VanDerWaalsContact CB-CB 3.5Å |
| 344 | N | 77.2 | Confident | 81.1 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -70.1 | 128 | 165.8 | 178.4 | -5.2 | 0 | 0 | 0 | 108.7 | K346 E347 A348 | N344-K346 PolarHBondContact O-N 3.47Å; N344-K346 PolarHBondContact OD1-N 2.78Å; N344-E347 HydrophobicContact CB-CB 4.21Å; N344-E347 HydrophobicContact CB-CG 3.88Å; N344-E347 WeakPolarHBondContact CB-OE1 3.47Å; N344-E347 PolarHBondContact ND2-OE1 2.89Å; N344-E347 PolarHBondContact O-N 3.35Å; N344-A348 PolarHBondContact O-N 2.86Å | ||
| 345 | P | 65.9 | Low | 80.9 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11.1 | -178.5 | 25.1 | -35.6 | 0 | 0 | 0 | 114.6 | ||
| 346 | K | 73.6 | Confident | 80.3 | Confident | 194 Ų | 194 | 76 Ų | 76 | 84% | 0.843 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.2 | 169.3 | -65.9 | -174.4 | 176.9 | -177.4 | 0 | 114.1 | N344 | N344-K346 PolarHBondContact O-N 3.47Å; N344-K346 PolarHBondContact OD1-N 2.78Å |
| 347 | E | 73.3 | Confident | 79.5 | Confident | 103 Ų | 103 | 75.7 Ų | 75.7 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -10.4 | -165.5 | -58.4 | 173.2 | -156 | 0 | 0 | 113.8 | K324 N344 | K324-E347 HydrophobicContact CD-CB 4.25Å; K324-E347 WeakPolarHBondContact CD-O 3.39Å; K324-E347 VanDerWaalsContact CE-O 3.28Å; K324-E347 WeakPolarHBondContact CE-O 3.39Å; K324-E347 WeakPolarHBondContact CG-O 3.49Å; K324-E347 IonicContact NZ-OE2 2.93Å; K324-E347 PolarHBondContact NZ-OE2 2.82Å; N344-E347 HydrophobicContact CB-CB 4.21Å; N344-E347 HydrophobicContact CB-CG 3.88Å; N344-E347 WeakPolarHBondContact CB-OE1 3.47Å; N344-E347 PolarHBondContact ND2-OE1 2.89Å; N344-E347 PolarHBondContact O-N 3.35Å |
| 348 | A | 77.4 | Confident | 78.6 | Confident | 10 Ų | 10 | 76.2 Ų | 76.2 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | trans | -136.5 | 133.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | S323 K324 V339 H343 N344 | S323-A348 VanDerWaalsContact OG-CA 3.29Å; S323-A348 WeakPolarHBondContact OG-CA 3.46Å; K324-A348 HydrophobicContact CB-CB 4.18Å; K324-A348 HydrophobicContact CD-CB 4.29Å; K324-A348 HydrophobicContact CG-CB 4.11Å; V339-A348 HydrophobicContact CG1-CB 4.21Å; V339-A348 VanDerWaalsContact CG1-O 3.24Å; V339-A348 WeakPolarHBondContact CG1-O 3.34Å; V339-A348 HydrophobicContact CG2-CB 4.39Å; H343-A348 HydrophobicContact CB-CB 3.5Å; H343-A348 VanDerWaalsContact CB-CB 3.5Å; N344-A348 PolarHBondContact O-N 2.86Å | ||
| 349 | S | 82.9 | Confident | 77.4 | Confident | 51 Ų | 51 | 77.3 Ų | 77.3 | 36% | 0.357 | 39% | 0.386 | S | S | . | . | trans | -110.2 | 157.7 | 171.1 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | S323 | S323-S349 WeakPolarHBondContact CB-O 3.39Å; S323-S349 PolarHBondContact N-O 2.74Å; S323-S349 VanDerWaalsContact N-O 3.13Å; S323-S349 PolarHBondContact OG-N 3.3Å; S323-S349 PolarHBondContact OG-O 2.88Å | ||
| 350 | V | 86.3 | Confident | 75.7 | Confident | 47 Ų | 47 | 83.9 Ų | 83.9 | 29% | 0.285 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 106.1 | 168.9 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | Y320 Q332 I335 A336 V339 | Y320-V350 HydrophobicContact CD1-CG1 4.16Å; Q332-V350 HydrophobicContact CG-CG1 4.35Å; I335-V350 HydrophobicContact CB-CG1 4.23Å; I335-V350 HydrophobicContact CG2-CB 4.36Å; I335-V350 HydrophobicContact CG2-CG1 3.81Å; I335-V350 HydrophobicContact CG2-CG2 4.14Å; A336-V350 HydrophobicContact CB-CG2 4.32Å; V339-V350 HydrophobicContact CB-CG2 4.19Å; V339-V350 HydrophobicContact CG2-CG2 3.92Å |
| 351 | Y | 86 | Confident | 74 | Confident | 123 Ų | 123 | 84.8 Ų | 84.8 | 48% | 0.482 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 147.6 | 170 | -79.2 | -65.1 | 0 | 0 | 0 | 110.8 | Y320 W321 | Y320-Y351 CarbonylContact C-O 3.59Å; Y320-Y351 VanDerWaalsContact CA-O 3.24Å; Y320-Y351 WeakPolarHBondContact CA-O 3.05Å; W321-Y351 HydrophobicContact CD2-CD2 4.43Å; W321-Y351 HydrophobicContact CE3-CD2 4.05Å; W321-Y351 AromaticContact CH2-CD2 3.54Å; W321-Y351 HydrophobicContact CH2-CD2 3.54Å; W321-Y351 HydrophobicContact CH2-CE2 4.12Å; W321-Y351 HydrophobicContact CH2-CG 4.05Å; W321-Y351 AromaticContact CZ2-CD2 3.97Å; W321-Y351 HydrophobicContact CZ2-CD2 3.97Å; W321-Y351 AromaticContact CZ2-CG 3.99Å; W321-Y351 HydrophobicContact CZ2-CG 3.99Å; W321-Y351 AromaticContact CZ3-CD2 3.6Å; W321-Y351 HydrophobicContact CZ3-CD2 3.6Å; W321-Y351 HydrophobicContact CZ3-CE2 4.29Å; W321-Y351 HydrophobicContact CZ3-CG 4.37Å; W321-Y351 PolarHBondContact N-O 3.28Å; W321-Y351 PolarHBondContact O-N 2.84Å |
| 352 | R | 88 | Confident | 72.4 | Confident | 138 Ų | 138 | 88.2 Ų | 88.2 | 52% | 0.521 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110.6 | 176.2 | 178.4 | -172.3 | -177.6 | -169.8 | 3.5 | 109.4 | H318 Y320 | H318-R352 HydrophobicContact CB-CG 4.45Å; H318-R352 PolarHBondContact CD2-NH2 2.77Å; H318-R352 PolarHBondContact CE1-NH2 2.86Å; H318-R352 PolarHBondContact ND1-NE 3.05Å; H318-R352 PolarHBondContact ND1-NH2 2.97Å; H318-R352 PolarHBondContact NE2-NH2 3Å; Y320-R352 HydrophobicContact CD1-CB 3.94Å; Y320-R352 HydrophobicContact CD1-CG 4.06Å; Y320-R352 HydrophobicContact CE1-CB 3.86Å; Y320-R352 HydrophobicContact CE1-CG 3.56Å |
| 353 | E | 84.7 | Confident | 70.6 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 152 | 177.4 | -161.3 | 177 | 148.5 | 0 | 0 | 111.2 | H318 I319 W321 | H318-E353 WeakPolarHBondContact CA-O 3.32Å; I319-E353 PolarHBondContact N-O 2.87Å; I319-E353 PolarHBondContact O-N 2.96Å; W321-E353 PolarHBondContact NE1-OE2 3.18Å; W321-E353 VanDerWaalsContact NE1-OE2 3.07Å |
| 354 | H | 80.8 | Confident | 68.4 | Low | 106 Ų | 106 | 94.7 Ų | 94.7 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 86.1 | 178.5 | -79.4 | -135.7 | 0 | 0 | 0 | 110.1 | H318 R356 | H318-H354 AromaticContact CE1-CE1 3.33Å; H318-H354 PolarHBondContact CE1-CE1 3.1Å; H318-H354 AromaticContact CE1-ND1 3.84Å; H318-H354 AromaticContact CE1-NE2 3.41Å; H318-H354 PolarHBondContact CE1-NE2 3.09Å; H318-H354 AromaticContact ND1-CD2 3.53Å; H318-H354 AromaticContact ND1-CE1 3.6Å; H318-H354 AromaticContact ND1-CG 3.93Å; H318-H354 AromaticContact ND1-ND1 3.95Å; H318-H354 AromaticContact ND1-NE2 3.25Å; H318-H354 PolarHBondContact ND1-NE2 3.05Å; H354-R356 PolarHBondContact O-N 3.38Å |
| 355 | L | 80.9 | Confident | 66.2 | Low | 32 Ų | 32 | 99.7 Ų | 99.7 | 17% | 0.168 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 121.3 | 174.7 | -175.6 | 73.3 | 0 | 0 | 0 | 109.7 | F286 L287 R316 C317 I319 V357 | F286-L355 HydrophobicContact CE1-CD2 4.18Å; L287-L355 HydrophobicContact CD2-CD2 3.67Å; R316-L355 WeakPolarHBondContact CA-O 3.16Å; C317-L355 PolarHBondContact N-O 3.18Å; C317-L355 VanDerWaalsContact N-O 3.15Å; C317-L355 PolarHBondContact O-N 3.29Å; I319-L355 HydrophobicContact CD1-CB 3.62Å; I319-L355 HydrophobicContact CD1-CD2 3.62Å; I319-L355 HydrophobicContact CD1-CG 4.14Å; I319-L355 HydrophobicContact CG1-CB 4.04Å; L355-V357 HydrophobicContact CD1-CG2 4.3Å; L355-V357 HydrophobicContact CD2-CG2 3.7Å; L355-V357 HydrophobicContact CG-CG2 3.84Å |
| 356 | R | 74 | Confident | 64.6 | Low | 169 Ų | 169 | 100.3 Ų | 100.3 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 103.8 | 173 | -65.4 | -177.4 | -172.3 | -173.2 | 4.8 | 108.3 | V314 Y315 H354 | V314-R356 HydrophobicContact CG1-CB 3.65Å; V314-R356 HydrophobicContact CG1-CG 4.05Å; Y315-R356 WeakPolarHBondContact O-CA 3.28Å; H354-R356 PolarHBondContact O-N 3.38Å |
| 357 | V | 68.3 | Low | 62.6 | Low | 33 Ų | 33 | 96.7 Ų | 96.7 | 20% | 0.2 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110.1 | 172.7 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | L287 Y315 L355 L359 | L287-V357 HydrophobicContact CD2-CG2 4.03Å; Y315-V357 HydrophobicContact CD1-CB 4.08Å; Y315-V357 HydrophobicContact CD1-CG2 4.02Å; Y315-V357 PolarHBondContact N-O 3.23Å; Y315-V357 PolarHBondContact O-N 3.21Å; L355-V357 HydrophobicContact CD1-CG2 4.3Å; L355-V357 HydrophobicContact CD2-CG2 3.7Å; L355-V357 HydrophobicContact CG-CG2 3.84Å; V357-L359 PolarHBondContact O-N 2.83Å |
| 358 | S | 63.4 | Low | 60.4 | Low | 87 Ų | 87 | 98.2 Ų | 98.2 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 122.2 | 169.7 | -57.6 | 0 | 0 | 0 | 0 | 109.7 | L360 | S358-L360 PolarHBondContact O-N 2.89Å |
| 359 | L | 60.1 | Low | 58.1 | Low | 34 Ų | 34 | 102.8 Ų | 102.8 | 18% | 0.178 | 55% | 0.545 | C | S | . | . | trans | -76.4 | 107.4 | 173.2 | -68.5 | 160.2 | 0 | 0 | 0 | 108.6 | P290 A291 I296 F300 L313 V357 D361 | P290-L359 VanDerWaalsContact C-CD2 3.47Å; P290-L359 HydrophobicContact CB-CD2 3.6Å; A291-L359 HydrophobicContact CB-CD2 4.37Å; I296-L359 HydrophobicContact CG2-CD1 3.99Å; F300-L359 HydrophobicContact CE2-CD1 4.34Å; L313-L359 HydrophobicContact CB-CB 4.07Å; L313-L359 HydrophobicContact CB-CD1 4.1Å; L313-L359 VanDerWaalsContact O-CB 3.31Å; L313-L359 WeakPolarHBondContact O-CB 3.4Å; L313-L359 WeakPolarHBondContact O-CG 3.23Å; L313-L359 PolarHBondContact O-N 3.32Å; V357-L359 PolarHBondContact O-N 2.83Å; L359-D361 PolarHBondContact O-N 2.99Å | ||
| 360 | L | 49.5 | Very low | 55.3 | Low | 151 Ų | 151 | 108 Ų | 108 | 79% | 0.791 | 57% | 0.569 | S | S | * | * | trans | -67 | 119.5 | 169.3 | -69.2 | 171.3 | 0 | 0 | 0 | 109.3 | S358 | S358-L360 PolarHBondContact O-N 2.89Š| ||
| 361 | D | 44.6 | Very low | 52.6 | Low | 84 Ų | 84 | 112.6 Ų | 112.6 | 45% | 0.449 | 59% | 0.591 | S | S | . | * | trans | -69.8 | 148.2 | 174.6 | -94.8 | -44.2 | 0 | 0 | 0 | 111.8 | L359 D363 S364 | L359-D361 PolarHBondContact O-N 2.99Å; D361-D363 PolarHBondContact O-N 2.8Å; D361-S364 PolarHBondContact O-OG 3.17Å | ||
| 362 | N | 41.8 | Very low | 49.7 | Very low | 131 Ų | 131 | 112.1 Ų | 112.1 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 0.5 | -163.8 | -74.9 | -109.6 | 0 | 0 | 0 | 113.7 | ||
| 363 | D | 41.6 | Very low | 46.8 | Very low | 157 Ų | 157 | 113.7 Ų | 113.7 | 84% | 0.84 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 12.2 | -168.3 | -56.7 | -61.7 | 0 | 0 | 0 | 113.2 | D361 | D361-D363 PolarHBondContact O-N 2.8Š|
| 364 | S | 35.5 | Very low | 44.2 | Very low | 92 Ų | 92 | 115.2 Ų | 115.2 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | trans | -98.1 | 121.3 | 172.9 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | D361 | D361-S364 PolarHBondContact O-OG 3.17Š| ||
| 365 | E | 31.1 | Very low | 41.6 | Very low | 173 Ų | 173 | 115.8 Ų | 115.8 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | trans | -66.4 | 141 | 169.2 | -84.8 | -84.2 | 129.2 | 0 | 0 | 110.3 | V367 | E365-V367 PolarHBondContact O-N 3.04Š| ||
| 366 | P | 33 | Very low | 39.1 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -75.5 | 90 | -178.2 | 31.3 | -34.7 | 0 | 0 | 0 | 111.3 | T368 | P366-T368 PolarHBondContact O-N 2.92Š| ||
| 367 | V | 30.7 | Very low | 36.9 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | trans | -61.9 | 117.1 | 171.6 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | E365 T369 | E365-V367 PolarHBondContact O-N 3.04Å; V367-T369 HydrophobicContact CG1-CG2 3.95Å; V367-T369 PolarHBondContact O-N 3.16Å | ||
| 368 | T | 27.1 | Very low | 35 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | trans | -79.5 | 104.2 | 167.6 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | P366 | P366-T368 PolarHBondContact O-N 2.92Š| ||
| 369 | T | 30.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | trans | -132.5 | 105.2 | 164 | 42.5 | 0 | 0 | 0 | 0 | 109.1 | V367 | V367-T369 HydrophobicContact CG1-CG2 3.95Å; V367-T369 PolarHBondContact O-N 3.16Å | ||
| 370 | D | 25 | Very low | 31.8 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -62.2 | 132.2 | 150.6 | -50.3 | -75.8 | 0 | 0 | 0 | 107.7 | ||||
| 371 | I | 29.1 | Very low | 31 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | -157.9 | 129.1 | 161 | -101.3 | 144.3 | 0 | 0 | 0 | 107.4 | ||||
| 372 | S | 24.5 | Very low | 30.3 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -74.5 | 142.5 | 171 | -53.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 373 | L | 27.9 | Very low | 29.7 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -122.7 | 112 | 160.8 | -84.7 | 169 | 0 | 0 | 0 | 109.1 | ||||
| 374 | S | 28.7 | Very low | 29.2 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -66.7 | 148.6 | 175.5 | -32.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 375 | T | 26 | Very low | 28.9 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -75.4 | 132.1 | 166.4 | -52.2 | 0 | 0 | 0 | 0 | 110 | Q377 | T375-Q377 HydrophobicContact CG2-CG 4.23Š| ||
| 376 | E | 28.6 | Very low | 28.9 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | -132.9 | 134.5 | 145.6 | -73.4 | -154.4 | 125.9 | 0 | 0 | 109.8 | ||||
| 377 | Q | 27.9 | Very low | 28.8 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -116.6 | 121.6 | 171.4 | -65.3 | 172.6 | -97.8 | 0 | 0 | 107.5 | T375 | T375-Q377 HydrophobicContact CG2-CG 4.23Š| ||
| 378 | K | 28.2 | Very low | 28.9 | Very low | 215 Ų | 215 | 142.1 Ų | 142.1 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | trans | -156.9 | 111.7 | 156.2 | -138.7 | 173.1 | -175.2 | 179.2 | 0 | 116.1 | ||||
| 379 | S | 27.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -152.2 | 140.7 | 147.8 | 58 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 380 | E | 29.8 | Very low | 29.3 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | -140.9 | 152.2 | 15.2 | -58.4 | 167.2 | 139.5 | 0 | 0 | 110.3 | ||||
| 381 | S | 31.8 | Very low | 29.7 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | 169.2 | 132 | 129.8 | 39.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 382 | S | 29.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | 52.9 | 107.8 | 151.9 | 63.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 383 | T | 29.9 | Very low | 30.3 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | 86.4 | 120.9 | 121 | 51.7 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 384 | Y | 30.3 | Very low | 30.6 | Very low | 219 Ų | 219 | 140.6 Ų | 140.6 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | 67.5 | 142.4 | 149.3 | -48.1 | -43.5 | 0 | 0 | 0 | 118.8 | ||||
| 385 | A | 30.6 | Very low | 31.1 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -168.8 | 152.7 | -15.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 386 | L | 30.5 | Very low | 31.5 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 55.8 | 109.5 | 144.4 | -64.3 | 170.2 | 0 | 0 | 0 | 121 | ||||
| 387 | D | 31 | Very low | 31.7 | Very low | 118 Ų | 118 | 141 Ų | 141 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | 129.6 | 120.7 | 101.3 | -81.3 | -8.8 | 0 | 0 | 0 | 122.9 | |||||
| 388 | F | 32.8 | Very low | 32 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | 95.3 | 138.9 | 133.8 | -83.2 | -132.1 | 0 | 0 | 0 | 124 | ||||
| 389 | F | 27.8 | Very low | 32.3 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 77% | 0.768 | 73% | 0.731 | S | S | * | * | trans | -99 | -139.6 | 174.6 | -68 | -106 | 0 | 0 | 0 | 109.1 | ||||
| 390 | P | 37.4 | Very low | 32.5 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | cis | -141 | -168 | -19.4 | 18.9 | 10.5 | 0 | 0 | 0 | 116.9 | ||||
| 391 | F | 32.8 | Very low | 32.6 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | 84.7 | 142.9 | 160.5 | -57.9 | -60.1 | 0 | 0 | 0 | 118.4 | ||||
| 392 | S | 32.9 | Very low | 32.4 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | cis | -163.2 | 173.7 | -0.9 | -117.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 393 | S | 34.8 | Very low | 32.3 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | cis | -157 | 167 | -6.2 | 59.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 394 | I | 33.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | cis | 75.9 | 133.9 | 27.3 | -55.2 | 168.2 | 0 | 0 | 0 | 112.6 | ||||
| 395 | P | 37.9 | Very low | 32.2 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | cis | -84.9 | -142.2 | -6.8 | 13.9 | 7.5 | 0 | 0 | 0 | 110.9 | ||||
| 396 | E | 36.4 | Very low | 32 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | cis | -153.4 | 151.9 | 9.2 | -63 | 167.8 | 166.4 | 0 | 0 | 106.8 | ||||
| 397 | D | 32.6 | Very low | 31.7 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | cis | -148.6 | 162.4 | -11 | -158.2 | 19.8 | 0 | 0 | 0 | 108.6 | ||||
| 398 | D | 33.3 | Very low | 31.6 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | 9.5 | 142.8 | 166.5 | -75.2 | -6.5 | 0 | 0 | 0 | 122.5 | ||||
| 399 | T | 34.3 | Very low | 31.6 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -158 | 167.5 | 6.2 | 4.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 400 | E | 31.7 | Very low | 31.6 | Very low | 175 Ų | 175 | 125.4 Ų | 125.4 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -3.1 | 142.8 | 147 | -60.9 | 174.6 | 170.4 | 0 | 0 | 118.5 | ||||
| 401 | E | 32.1 | Very low | 31.1 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 77% | 0.771 | 71% | 0.706 | S | S | * | * | cis | -152.1 | 155.4 | 27.1 | -104.7 | -138 | -160.7 | 0 | 0 | 115.2 | ||||
| 402 | T | 28.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | trans | 16.9 | 154.3 | 139.1 | -12.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 403 | E | 28 | Very low | 30.8 | Very low | 178 Ų | 178 | 121.5 Ų | 121.5 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | trans | 69.7 | 88 | 155.8 | -57.2 | -145.3 | 129.3 | 0 | 0 | 121.9 | ||||
| 404 | S | 26.5 | Very low | 30.6 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | -6 | 148 | 115.5 | -178.4 | 0 | 0 | 0 | 0 | 118 | |||||
| 405 | P | 31 | Very low | 30.2 | Very low | 96 Ų | 96 | 118.9 Ų | 118.9 | 62% | 0.623 | 67% | 0.671 | S | S | * | * | cis | -136.9 | -143.5 | -29.4 | 39.8 | -19.9 | 0 | 0 | 0 | 110.4 | ||||
| 406 | M | 25.6 | Very low | 29.6 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 55% | 0.547 | 67% | 0.666 | S | S | . | * | trans | 74.3 | 126.3 | 161.4 | -83.6 | -177.6 | -70.6 | 0 | 0 | 120.1 | V310 | V310-M406 HydrophobicContact CG1-CB 4.49Å; V310-M406 HydrophobicContact CG1-SD 4.45Å | ||
| 407 | N | 25.5 | Very low | 29 | Very low | 91 Ų | 91 | 113.4 Ų | 113.4 | 49% | 0.487 | 66% | 0.659 | S | S | . | * | trans | 56.9 | 95.1 | 136.9 | -55.2 | -26 | 0 | 0 | 0 | 119.1 | V310 | V310-N407 HydrophobicContact CG1-CB 3.84Å; V310-N407 VanDerWaalsContact CG1-ND2 3.33Å; V310-N407 WeakPolarHBondContact CG1-ND2 3.41Å | ||
| 408 | L | 28.8 | Very low | 28.5 | Very low | 176 Ų | 176 | 115.5 Ų | 115.5 | 92% | 0.921 | 66% | 0.662 | S | S | * | * | trans | -104.3 | 61.2 | 137.1 | -123.8 | 169.5 | 0 | 0 | 0 | 110.6 | ||||
| 409 | A | 31.3 | Very low | 28.2 | Very low | 53 Ų | 53 | 117.2 Ų | 117.2 | 44% | 0.438 | 67% | 0.67 | S | S | . | * | trans | -83.1 | 139.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 410 | A | 28.9 | Very low | 27.8 | Very low | 81 Ų | 81 | 119.8 Ų | 119.8 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | trans | 66.6 | -178.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 411 | L | 25.3 | Very low | 27.5 | Very low | 130 Ų | 130 | 116.2 Ų | 116.2 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | trans | 73.9 | 126.4 | -169.6 | -49.9 | 175.8 | 0 | 0 | 0 | 113.2 | ||||
| 412 | A | 28.9 | Very low | 27.1 | Very low | 88 Ų | 88 | 114.6 Ų | 114.6 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | cis | -104.2 | 164.3 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 413 | R | 31 | Very low | 27 | Very low | 80 Ų | 80 | 116.3 Ų | 116.3 | 30% | 0.302 | 68% | 0.677 | S | S | . | * | cis | 62.3 | 174.4 | 25.2 | -108.8 | 179.7 | -86.4 | -172.1 | -2.8 | 110.9 | R301 | R301-R413 PolarHBondContact O-NH1 3.02Š| ||
| 414 | P | 30.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | cis | -93.5 | 147.3 | 8.8 | 44.3 | -38.8 | 0 | 0 | 0 | 111.6 | ||||
| 415 | T | 26.4 | Very low | 26.8 | Very low | 78 Ų | 78 | 117.7 Ų | 117.7 | 48% | 0.479 | 68% | 0.675 | S | S | . | * | 70.8 | 145.2 | 103.6 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 416 | A | 24.9 | Very low | 26.5 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 60% | 0.603 | 68% | 0.677 | S | S | * | * | cis | 64.1 | 141 | 40.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 417 | S | 23.1 | Very low | 26.4 | Very low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | cis | -162.5 | 171.8 | -1 | -132.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 418 | K | 23.3 | Very low | 26.4 | Very low | 189 Ų | 189 | 122.8 Ų | 122.8 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | 55.7 | 113 | 161.8 | -59.6 | 163.1 | -179.6 | 175 | 0 | 116.8 | ||||
| 419 | L | 26.7 | Very low | 26.6 | Very low | 166 Ų | 166 | 120.5 Ų | 120.5 | 87% | 0.869 | 69% | 0.687 | S | S | * | * | -142.9 | 108.6 | 113.7 | -117 | 163.3 | 0 | 0 | 0 | 109.2 | |||||
| 420 | M | 25.7 | Very low | 26.7 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 80% | 0.803 | 70% | 0.702 | S | S | * | * | trans | -93.2 | 121.4 | 165.6 | -67.2 | -178.5 | 73.3 | 0 | 0 | 107.6 | ||||
| 421 | S | 25.1 | Very low | 26.8 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | trans | -140.7 | 116.2 | 151.9 | -81.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 422 | L | 24 | Very low | 26.8 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | 53.2 | 100.9 | 60.9 | -49.8 | 171 | 0 | 0 | 0 | 107.9 | |||||
| 423 | T | 27.5 | Very low | 26.6 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | -135.6 | 127.6 | 73.3 | 40.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 424 | S | 25.9 | Very low | 26.4 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | -101.2 | 111.9 | 148.4 | 57.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 425 | R | 24.1 | Very low | 26.3 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | trans | -161.8 | 132.8 | 162.6 | -114.7 | -175.5 | -177.2 | 172.1 | 1.9 | 112.9 | ||||
| 426 | V | 24.2 | Very low | 26.3 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | trans | 54.4 | 112.5 | 135 | 170.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 427 | Q | 24.1 | Very low | 26.5 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | cis | 78.4 | 135.8 | 49.2 | -170 | -178.7 | -36.6 | 0 | 0 | 113.2 | ||||
| 428 | Q | 23.8 | Very low | 26.7 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | trans | 71.1 | 107.4 | 170.2 | -77.4 | 146.4 | -30.7 | 0 | 0 | 118.8 | ||||
| 429 | T | 33.7 | Very low | 27 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | -15.4 | 159.2 | 125.9 | 53.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 430 | P | 33 | Very low | 27.2 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | cis | -138.8 | -140.3 | 22.3 | 45.1 | -24.5 | 0 | 0 | 0 | 110.8 | ||||
| 431 | P | 31.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | cis | -131.8 | 164.8 | -25.8 | 40.6 | -24.9 | 0 | 0 | 0 | 116.2 | ||||
| 432 | S | 24.5 | Very low | 27.9 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | trans | 43.9 | 135.5 | 138.3 | 70.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 433 | N | 25.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | 72.3 | 145.5 | 150 | -52 | -15.8 | 0 | 0 | 0 | 115.7 | ||||
| 434 | V | 26.8 | Very low | 28.6 | Very low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | cis | -147.9 | 135.5 | 44.6 | 151.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 435 | H | 28.9 | Very low | 28.7 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | 45 | 125.8 | 152.2 | -67.9 | -117 | 0 | 0 | 0 | 121 | ||||
| 436 | T | 25.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | cis | 102.8 | 141.4 | 49.2 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 437 | L | 30.5 | Very low | 29.1 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | trans | 79.7 | 142.5 | -178.8 | -51.1 | -177.5 | 0 | 0 | 0 | 115.8 | ||||
| 438 | S | 26.9 | Very low | 29.3 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | cis | -177 | 169.1 | -29.2 | -110.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 439 | I | 29.7 | Very low | 29.5 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 80% | 0.795 | 73% | 0.728 | S | S | * | * | trans | 69.8 | 124.6 | 160 | -65.9 | 150.1 | 0 | 0 | 0 | 115 | ||||
| 440 | D | 30.2 | Very low | 29.1 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | cis | -164.2 | 173.9 | -12.3 | -138.2 | -15 | 0 | 0 | 0 | 112 | ||||
| 441 | Q | 32.4 | Very low | 28.8 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | 41.4 | 136 | 149.6 | -65.6 | 164.6 | 60.1 | 0 | 0 | 120.2 | ||||
| 442 | S | 32.7 | Very low | 28.5 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | cis | -173.2 | 168.3 | -3.1 | 62.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 443 | S | 34.5 | Very low | 28.6 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -148.8 | 143 | 4.6 | 42.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 444 | S | 31.8 | Very low | 28.6 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | trans | 38.4 | 127.5 | 147.9 | 61.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 445 | N | 28 | Very low | 28.6 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | 60.4 | 152.6 | 52.6 | -60.1 | -27.1 | 0 | 0 | 0 | 113.3 | |||||
| 446 | N | 27.1 | Very low | 28.5 | Very low | 118 Ų | 118 | 115.5 Ų | 115.5 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | cis | -171.6 | -171.3 | -20.8 | -98.3 | -23.7 | 0 | 0 | 0 | 105.5 | ||||
| 447 | N | 31.4 | Very low | 28.5 | Very low | 163 Ų | 163 | 114.2 Ų | 114.2 | 87% | 0.872 | 67% | 0.671 | S | S | * | * | trans | 77.3 | 145.2 | 163.3 | -40.6 | -42.2 | 0 | 0 | 0 | 114.9 | ||||
| 448 | G | 27.5 | Very low | 28.7 | Very low | 67 Ų | 67 | 114.6 Ų | 114.6 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | cis | 157 | 153.3 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 449 | M | 27.2 | Very low | 29.3 | Very low | 162 Ų | 162 | 115.5 Ų | 115.5 | 80% | 0.798 | 68% | 0.676 | S | S | * | * | trans | 56 | 121.4 | 164.5 | -79.5 | 176.6 | 56.5 | 0 | 0 | 119.5 | ||||
| 450 | M | 26 | Very low | 29.2 | Very low | 163 Ų | 163 | 112.9 Ų | 112.9 | 80% | 0.803 | 68% | 0.678 | S | S | * | * | trans | 73.5 | 151.1 | 133.3 | -68.1 | -153.1 | 170.7 | 0 | 0 | 119 | ||||
| 451 | V | 25.8 | Very low | 29.2 | Very low | 112 Ų | 112 | 112.5 Ų | 112.5 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | cis | -156.5 | 155.3 | -18.4 | 114.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 452 | S | 25.9 | Very low | 29 | Very low | 95 Ų | 95 | 109.8 Ų | 109.8 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | trans | 69 | 146.1 | 159.4 | -82.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 453 | N | 26.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 110 Ų | 110 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | trans | 72.4 | 89.7 | 140.6 | -66.3 | 1 | 0 | 0 | 0 | 121.5 | ||||
| 454 | S | 26.4 | Very low | 28.8 | Very low | 51 Ų | 51 | 112.5 Ų | 112.5 | 36% | 0.357 | 68% | 0.684 | S | S | . | * | 110.2 | 111.4 | 101.2 | -67 | 0 | 0 | 0 | 0 | 117.8 | R1616 | S454-R1616 VanDerWaalsContact CB-CZ 3.49Å; S454-R1616 VanDerWaalsContact CB-NE 3.32Å; S454-R1616 PolarHBondContact O-NE 3.03Å; S454-R1616 PolarHBondContact O-NH2 3.38Å | |||
| 455 | L | 26.3 | Very low | 28.6 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 46% | 0.461 | 68% | 0.684 | S | S | . | * | 99.1 | 151.9 | 74.8 | -126.4 | 130.7 | 0 | 0 | 0 | 106.2 | R1616 I1617 | L455-R1616 HydrophobicContact CB-CB 3.5Å; L455-R1616 HydrophobicContact CB-CG 3.48Å; L455-R1616 VanDerWaalsContact CB-CG 3.48Å; L455-R1616 HydrophobicContact CD2-CB 3.44Å; L455-R1616 VanDerWaalsContact CD2-CB 3.44Å; L455-R1616 HydrophobicContact CD2-CG 4.37Å; L455-R1616 HydrophobicContact CG-CB 3.98Å; L455-R1616 HydrophobicContact CG-CG 4.45Å; L455-R1616 VanDerWaalsContact O-CG 3.26Å; L455-R1616 WeakPolarHBondContact O-CG 3.44Å; L455-I1617 HydrophobicContact CB-CB 3.72Å; L455-I1617 HydrophobicContact CB-CD1 3.93Å; L455-I1617 HydrophobicContact CB-CG1 4.16Å; L455-I1617 HydrophobicContact CB-CG2 4.47Å; L455-I1617 HydrophobicContact CD1-CD1 4.4Å; L455-I1617 HydrophobicContact CD2-CB 3.44Å; L455-I1617 VanDerWaalsContact CD2-CB 3.44Å; L455-I1617 HydrophobicContact CD2-CG2 3.23Å; L455-I1617 HydrophobicContact CG-CB 3.3Å; L455-I1617 HydrophobicContact CG-CD1 3.55Å; L455-I1617 HydrophobicContact CG-CG1 3.89Å; L455-I1617 HydrophobicContact CG-CG2 3.5Å; L455-I1617 VanDerWaalsContact CG-CG2 3.5Å | |||
| 456 | A | 26 | Very low | 28.5 | Very low | 45 Ų | 45 | 113.5 Ų | 113.5 | 37% | 0.372 | 68% | 0.681 | S | S | . | * | trans | -7.8 | 164.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 130.4 | ||||
| 457 | S | 25.8 | Very low | 28.4 | Very low | 84 Ų | 84 | 114 Ų | 114 | 59% | 0.587 | 68% | 0.682 | S | S | * | * | trans | 117.5 | 100.2 | 135.4 | -0.3 | 0 | 0 | 0 | 0 | 123.1 | N1615 | S457-N1615 PolarHBondContact OG-N 3.22Š| ||
| 458 | I | 34.7 | Very low | 28 | Very low | 164 Ų | 164 | 112.4 Ų | 112.4 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | trans | -34.7 | -178.7 | 144.1 | 30.7 | 164.9 | 0 | 0 | 0 | 118.8 | ||||
| 459 | P | 38.4 | Very low | 27.9 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 71% | 0.708 | 68% | 0.68 | S | S | * | * | cis | -140.3 | -174.2 | -1.7 | 35.1 | -13.1 | 0 | 0 | 0 | 117.8 | ||||
| 460 | A | 27.9 | Very low | 27.8 | Very low | 101 Ų | 101 | 113 Ų | 113 | 84% | 0.835 | 68% | 0.676 | S | S | * | * | trans | 69.1 | 155.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 461 | S | 29.8 | Very low | 27.9 | Very low | 109 Ų | 109 | 110.3 Ų | 110.3 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | cis | -142.1 | -167.7 | 0.5 | 72.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 462 | S | 28.6 | Very low | 28 | Very low | 104 Ų | 104 | 108 Ų | 108 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | cis | -152.1 | 174.1 | 6.3 | -101.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 463 | P | 35.2 | Very low | 28.3 | Very low | 114 Ų | 114 | 110.4 Ų | 110.4 | 74% | 0.74 | 68% | 0.684 | S | S | * | * | trans | -124.7 | -167.7 | -166 | 40.9 | -25.6 | 0 | 0 | 0 | 116.5 | ||||
| 464 | M | 27.8 | Very low | 28.4 | Very low | 154 Ų | 154 | 111.8 Ų | 111.8 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | 93 | 149.7 | 157.9 | -68.2 | -76.6 | -82.5 | 0 | 0 | 120.3 | ||||
| 465 | N | 28 | Very low | 28.6 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | trans | 76.7 | 149.3 | 155.5 | -68.2 | -5.5 | 0 | 0 | 0 | 121.5 | ||||
| 466 | I | 24.8 | Very low | 28.6 | Very low | 128 Ų | 128 | 114.6 Ų | 114.6 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | cis | -162.7 | 141.8 | -39.4 | -128.1 | 176.4 | 0 | 0 | 0 | 110.2 | ||||
| 467 | I | 25.1 | Very low | 28.9 | Very low | 128 Ų | 128 | 117.4 Ų | 117.4 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | 49.2 | 116.6 | 147.6 | -67.1 | 165.7 | 0 | 0 | 0 | 121 | ||||
| 468 | N | 24.7 | Very low | 29.3 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | trans | 70 | 144.6 | 141.3 | -67.2 | -5.5 | 0 | 0 | 0 | 123.8 | ||||
| 469 | N | 24.2 | Very low | 29.1 | Very low | 154 Ų | 154 | 115.9 Ų | 115.9 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | trans | 71.3 | 148.1 | 145.2 | -68.6 | -10.3 | 0 | 0 | 0 | 117.9 | ||||
| 470 | A | 26.2 | Very low | 28.8 | Very low | 88 Ų | 88 | 113.7 Ų | 113.7 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | cis | -146.9 | 163.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 471 | A | 27.7 | Very low | 29.3 | Very low | 105 Ų | 105 | 112.8 Ų | 112.8 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | trans | 60.6 | 148.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 472 | G | 27.1 | Very low | 29.5 | Very low | 63 Ų | 63 | 110 Ų | 110 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | cis | 134.6 | 101.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 473 | N | 32.5 | Very low | 29.9 | Very low | 146 Ų | 146 | 109.3 Ų | 109.3 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | trans | -167.6 | 126.8 | 150.1 | -87.8 | -35.2 | 0 | 0 | 0 | 105.5 | ||||
| 474 | L | 29.3 | Very low | 30 | Very low | 158 Ų | 158 | 106.7 Ų | 106.7 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | 62.4 | 127.4 | 67 | -60.8 | 170.2 | 0 | 0 | 0 | 110.7 | |||||
| 475 | S | 30.7 | Very low | 30.4 | Very low | 112 Ų | 112 | 102.4 Ų | 102.4 | 78% | 0.783 | 67% | 0.665 | S | S | * | * | cis | -153.5 | 164.9 | 30.7 | -165.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 476 | A | 27.1 | Very low | 30.7 | Very low | 86 Ų | 86 | 102.2 Ų | 102.2 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | 48.8 | 101.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 477 | C | 30.7 | Very low | 31.1 | Very low | 103 Ų | 103 | 98.2 Ų | 98.2 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -150 | -42.8 | 145 | -138.5 | 0 | 0 | 0 | 0 | 114.1 | A479 A480 S481 | C477-A479 VanDerWaalsContact C-N 3.28Å; C477-A479 PolarHBondContact O-N 3.5Å; C477-A480 WeakPolarHBondContact O-CA 3.21Å; C477-A480 WeakPolarHBondContact O-CB 3.36Å; C477-A480 PolarHBondContact O-N 3.48Å; C477-S481 PolarHBondContact O-N 3.09Å |
| 478 | D | 34.1 | Very low | 31.7 | Very low | 147 Ų | 147 | 94.9 Ų | 94.9 | 79% | 0.786 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64 | -27.5 | -177.7 | -77.5 | -54.6 | 0 | 0 | 0 | 114.8 | A480 A482 | D478-A480 VanDerWaalsContact C-N 3.35Å; D478-A482 PolarHBondContact O-N 3.48Å |
| 479 | A | 32.2 | Very low | 32.2 | Very low | 70 Ų | 70 | 91.7 Ų | 91.7 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.9 | -34.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C477 A482 V483 | C477-A479 VanDerWaalsContact C-N 3.28Å; C477-A479 PolarHBondContact O-N 3.5Å; A479-A482 PolarHBondContact O-N 2.87Å; A479-V483 WeakPolarHBondContact O-CB 3.17Å; A479-V483 WeakPolarHBondContact O-CG2 3.49Å; A479-V483 PolarHBondContact O-N 3.43Å |
| 480 | A | 30.7 | Very low | 32.7 | Very low | 62 Ų | 62 | 87.2 Ų | 87.2 | 51% | 0.512 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70 | -33.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C477 D478 V483 A484 | C477-A480 WeakPolarHBondContact O-CA 3.21Å; C477-A480 WeakPolarHBondContact O-CB 3.36Å; C477-A480 PolarHBondContact O-N 3.48Å; D478-A480 VanDerWaalsContact C-N 3.35Å; A480-V483 PolarHBondContact O-N 3.21Å; A480-A484 WeakPolarHBondContact O-CB 3.27Å; A480-A484 PolarHBondContact O-N 3.44Å |
| 481 | S | 39.5 | Very low | 33.1 | Very low | 83 Ų | 83 | 89.8 Ų | 89.8 | 58% | 0.58 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.2 | -42.1 | 172.7 | -171.8 | 0 | 0 | 0 | 0 | 112 | C477 A485 | C477-S481 PolarHBondContact O-N 3.09Å; S481-A485 VanDerWaalsContact O-CB 3.28Å; S481-A485 WeakPolarHBondContact O-CB 3.34Å; S481-A485 PolarHBondContact O-N 3.27Å |
| 482 | A | 33.1 | Very low | 33.5 | Very low | 50 Ų | 50 | 89.9 Ų | 89.9 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.6 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D478 A479 A485 M486 | D478-A482 PolarHBondContact O-N 3.48Å; A479-A482 PolarHBondContact O-N 2.87Å; A482-A485 PolarHBondContact O-N 3.3Å; A482-M486 HydrophobicContact CB-CE 4.47Å; A482-M486 WeakPolarHBondContact O-CB 3.33Å; A482-M486 WeakPolarHBondContact O-CE 3.48Å; A482-M486 WeakPolarHBondContact O-CG 3.34Å; A482-M486 PolarHBondContact O-N 3.15Å |
| 483 | V | 38.1 | Very low | 33.7 | Very low | 89 Ų | 89 | 89.5 Ų | 89.5 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.7 | -35.5 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | A479 A480 M486 A487 | A479-V483 WeakPolarHBondContact O-CB 3.17Å; A479-V483 WeakPolarHBondContact O-CG2 3.49Å; A479-V483 PolarHBondContact O-N 3.43Å; A480-V483 PolarHBondContact O-N 3.21Å; V483-M486 HydrophobicContact CG2-CE 4.17Å; V483-M486 CarbonylContact O-C 3.54Å; V483-M486 PolarHBondContact O-N 2.92Å; V483-A487 VanDerWaalsContact O-CB 3.29Å; V483-A487 WeakPolarHBondContact O-CB 3.34Å; V483-A487 PolarHBondContact O-N 3.48Å |
| 484 | A | 35.9 | Very low | 33.4 | Very low | 59 Ų | 59 | 89.5 Ų | 89.5 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.6 | -37.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A480 A487 A488 | A480-A484 WeakPolarHBondContact O-CB 3.27Å; A480-A484 PolarHBondContact O-N 3.44Å; A484-A487 PolarHBondContact O-N 3.05Å; A484-A488 VanDerWaalsContact O-CB 3.29Å; A484-A488 WeakPolarHBondContact O-CB 3.13Å; A484-A488 PolarHBondContact O-N 2.85Å |
| 485 | A | 37.3 | Very low | 33.5 | Very low | 64 Ų | 64 | 88 Ų | 88 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.7 | -39 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S481 A482 A489 | S481-A485 VanDerWaalsContact O-CB 3.28Å; S481-A485 WeakPolarHBondContact O-CB 3.34Å; S481-A485 PolarHBondContact O-N 3.27Å; A482-A485 PolarHBondContact O-N 3.3Å; A485-A489 VanDerWaalsContact O-CB 3.25Å; A485-A489 WeakPolarHBondContact O-CB 3.3Å; A485-A489 PolarHBondContact O-N 3.5Å |
| 486 | M | 34.8 | Very low | 33.3 | Very low | 121 Ų | 121 | 90.5 Ų | 90.5 | 60% | 0.596 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.8 | -34 | 172.8 | -75.1 | -174.8 | -74.2 | 0 | 0 | 112.7 | A482 V483 A489 A490 | A482-M486 HydrophobicContact CB-CE 4.47Å; A482-M486 WeakPolarHBondContact O-CB 3.33Å; A482-M486 WeakPolarHBondContact O-CE 3.48Å; A482-M486 WeakPolarHBondContact O-CG 3.34Å; A482-M486 PolarHBondContact O-N 3.15Å; V483-M486 HydrophobicContact CG2-CE 4.17Å; V483-M486 CarbonylContact O-C 3.54Å; V483-M486 PolarHBondContact O-N 2.92Å; M486-A489 PolarHBondContact O-N 3.47Å; M486-A490 VanDerWaalsContact O-CB 3.23Å; M486-A490 WeakPolarHBondContact O-CB 3.46Å; M486-A490 PolarHBondContact O-N 3.04Å |
| 487 | A | 32.6 | Very low | 33.4 | Very low | 45 Ų | 45 | 95.8 Ų | 95.8 | 37% | 0.372 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.5 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V483 A484 A489 A490 L491 | V483-A487 VanDerWaalsContact O-CB 3.29Å; V483-A487 WeakPolarHBondContact O-CB 3.34Å; V483-A487 PolarHBondContact O-N 3.48Å; A484-A487 PolarHBondContact O-N 3.05Å; A487-A489 VanDerWaalsContact C-N 3.3Å; A487-A489 PolarHBondContact O-N 3.16Å; A487-A490 PolarHBondContact O-N 3.14Å; A487-L491 WeakPolarHBondContact O-CB 3.3Å; A487-L491 VanDerWaalsContact O-CG 3.3Å; A487-L491 WeakPolarHBondContact O-CG 3.43Å; A487-L491 PolarHBondContact O-N 2.76Å |
| 488 | A | 37.1 | Very low | 33.3 | Very low | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.3 | -35.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A484 S492 | A484-A488 VanDerWaalsContact O-CB 3.29Å; A484-A488 WeakPolarHBondContact O-CB 3.13Å; A484-A488 PolarHBondContact O-N 2.85Å; A488-S492 WeakPolarHBondContact O-CB 3.43Å; A488-S492 PolarHBondContact O-N 2.72Å; A488-S492 VanDerWaalsContact O-N 3.11Å; A488-S492 PolarHBondContact O-OG 3.3Å |
| 489 | A | 36.4 | Very low | 33.1 | Very low | 63 Ų | 63 | 96.6 Ų | 96.6 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.2 | -38.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A485 M486 A487 S492 G493 | A485-A489 VanDerWaalsContact O-CB 3.25Å; A485-A489 WeakPolarHBondContact O-CB 3.3Å; A485-A489 PolarHBondContact O-N 3.5Å; M486-A489 PolarHBondContact O-N 3.47Å; A487-A489 VanDerWaalsContact C-N 3.3Å; A487-A489 PolarHBondContact O-N 3.16Å; A489-S492 CarbonylContact O-C 3.55Å; A489-S492 PolarHBondContact O-N 2.85Å; A489-G493 PolarHBondContact O-N 3.28Å |
| 490 | A | 33.7 | Very low | 32.9 | Very low | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.6 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M486 A487 S492 G493 | M486-A490 VanDerWaalsContact O-CB 3.23Å; M486-A490 WeakPolarHBondContact O-CB 3.46Å; M486-A490 PolarHBondContact O-N 3.04Å; A487-A490 PolarHBondContact O-N 3.14Å; A490-S492 VanDerWaalsContact C-N 3.25Å; A490-S492 PolarHBondContact O-N 2.63Å; A490-G493 WeakPolarHBondContact O-CA 3.41Å; A490-G493 PolarHBondContact O-N 3.28Å |
| 491 | L | 33.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 102.2 Ų | 102.2 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.1 | -24.2 | 174 | -67.8 | 170.9 | 0 | 0 | 0 | 112.3 | A487 G493 | A487-L491 WeakPolarHBondContact O-CB 3.3Å; A487-L491 VanDerWaalsContact O-CG 3.3Å; A487-L491 WeakPolarHBondContact O-CG 3.43Å; A487-L491 PolarHBondContact O-N 2.76Å; L491-G493 PolarHBondContact O-N 3.22Å |
| 492 | S | 37.7 | Very low | 32.3 | Very low | 106 Ų | 106 | 103 Ų | 103 | 74% | 0.741 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 2.4 | 167.5 | -57.3 | 0 | 0 | 0 | 0 | 113.7 | A488 A489 A490 | A488-S492 WeakPolarHBondContact O-CB 3.43Å; A488-S492 PolarHBondContact O-N 2.72Å; A488-S492 VanDerWaalsContact O-N 3.11Å; A488-S492 PolarHBondContact O-OG 3.3Å; A489-S492 CarbonylContact O-C 3.55Å; A489-S492 PolarHBondContact O-N 2.85Å; A490-S492 VanDerWaalsContact C-N 3.25Å; A490-S492 PolarHBondContact O-N 2.63Å |
| 493 | G | 29.8 | Very low | 32.2 | Very low | 55 Ų | 55 | 107 Ų | 107 | 57% | 0.567 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 2.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A489 A490 L491 | A489-G493 PolarHBondContact O-N 3.28Å; A490-G493 WeakPolarHBondContact O-CA 3.41Å; A490-G493 PolarHBondContact O-N 3.28Å; L491-G493 PolarHBondContact O-N 3.22Å |
| 494 | L | 27.2 | Very low | 31.9 | Very low | 147 Ų | 147 | 107.3 Ų | 107.3 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -124.4 | 60.7 | -169.2 | -71.8 | 174.9 | 0 | 0 | 0 | 114.5 | ||||
| 495 | T | 31 | Very low | 31.4 | Very low | 127 Ų | 127 | 111.3 Ų | 111.3 | 78% | 0.779 | 67% | 0.671 | S | S | * | * | trans | -133.6 | 61 | 158.6 | 43.2 | 0 | 0 | 0 | 0 | 111.7 | F497 | T495-F497 VanDerWaalsContact C-N 3.35Å; T495-F497 PolarHBondContact O-N 3.35Å | ||
| 496 | N | 27.1 | Very low | 31.1 | Very low | 164 Ų | 164 | 113.4 Ų | 113.4 | 88% | 0.877 | 68% | 0.681 | S | S | * | * | trans | -70 | 90.6 | 162.1 | -98.7 | -10.1 | 0 | 0 | 0 | 109.6 | ||||
| 497 | F | 29.7 | Very low | 30.7 | Very low | 197 Ų | 197 | 113.4 Ų | 113.4 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | trans | -115.3 | 90.2 | 160.4 | -85.7 | -76.1 | 0 | 0 | 0 | 110.4 | T495 | T495-F497 VanDerWaalsContact C-N 3.35Å; T495-F497 PolarHBondContact O-N 3.35Å | ||
| 498 | N | 26.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 116 Ų | 116 | 65% | 0.652 | 70% | 0.704 | S | S | * | * | trans | -64.9 | 140.3 | 160.1 | 171.1 | 37.1 | 0 | 0 | 0 | 109.5 | ||||
| 499 | I | 31.3 | Very low | 29.8 | Very low | 145 Ų | 145 | 118.5 Ų | 118.5 | 74% | 0.744 | 71% | 0.713 | S | S | * | * | trans | -172 | 120.1 | 131.8 | -96.4 | 151.2 | 0 | 0 | 0 | 108.2 | ||||
| 500 | N | 26.6 | Very low | 29.2 | Very low | 96 Ų | 96 | 125 Ų | 125 | 51% | 0.513 | 73% | 0.73 | S | S | . | * | trans | -80.9 | 156.5 | 160 | -76.3 | -33.7 | 0 | 0 | 0 | 108.8 | Q872 | N500-Q872 PolarHBondContact ND2-OE1 2.96Š| ||
| 501 | N | 28.4 | Very low | 28.9 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | 80.5 | 142 | -174.6 | -41.6 | -26.5 | 0 | 0 | 0 | 112.7 | ||||
| 502 | A | 30.7 | Very low | 28.4 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | cis | -130.3 | 133.1 | 11.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 503 | V | 29.5 | Very low | 27.7 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | -80.8 | 161.1 | 146.8 | -141.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 504 | P | 32 | Very low | 27.5 | Very low | 97 Ų | 97 | 135 Ų | 135 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | cis | -154.3 | 179.6 | 30 | 46.5 | -25.9 | 0 | 0 | 0 | 120 | ||||
| 505 | N | 26 | Very low | 27.6 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 65.4 | 154.9 | 155.3 | -57.4 | -20.3 | 0 | 0 | 0 | 118.3 | ||||
| 506 | S | 31.6 | Very low | 27.2 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | cis | -120.7 | 148.8 | -4.2 | 46.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 507 | V | 25 | Very low | 27.2 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | cis | 74.4 | 82.1 | 42.8 | -172.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 508 | S | 26.5 | Very low | 27.1 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -176.6 | 105.6 | 149 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 509 | T | 25.4 | Very low | 27.1 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | 71.8 | 123 | 71.1 | 60.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 510 | F | 24.4 | Very low | 26.9 | Very low | 200 Ų | 200 | 124 Ų | 124 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | 65.3 | 152.1 | 165.9 | -58.4 | -65.1 | 0 | 0 | 0 | 116.3 | ||||
| 511 | S | 26 | Very low | 27.2 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -148.4 | 170.9 | 2.2 | -130.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 512 | K | 23.4 | Very low | 27.3 | Very low | 193 Ų | 193 | 124.7 Ų | 124.7 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -67.5 | 142.5 | 159.3 | -60.5 | 168.8 | 173.6 | 177.9 | 0 | 109.4 | ||||
| 513 | S | 23.5 | Very low | 27.5 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 157.5 | 123.3 | 122.7 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 514 | L | 25.2 | Very low | 27.6 | Very low | 173 Ų | 173 | 126.3 Ų | 126.3 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | 59.7 | 170.1 | 144.9 | -57.1 | 167 | 0 | 0 | 0 | 118.8 | ||||
| 515 | A | 28.7 | Very low | 27.6 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | cis | -166.6 | 175.5 | -49.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 516 | C | 24.5 | Very low | 27.9 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 70.5 | 153.6 | 161.4 | -67.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 517 | D | 25.7 | Very low | 27.8 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | cis | -159 | 159.3 | -7.5 | -109.2 | -19.3 | 0 | 0 | 0 | 117.1 | ||||
| 518 | I | 27.3 | Very low | 28 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | 43.4 | 125.1 | 143.2 | -54.4 | 157.4 | 0 | 0 | 0 | 122.8 | ||||
| 519 | S | 26.9 | Very low | 28.1 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | 167.8 | 148.9 | 125.9 | -77.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 520 | S | 27.2 | Very low | 28.4 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -115.3 | 172.8 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 521 | P | 33.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | -143.8 | -177.4 | 70.4 | 40.1 | -18.9 | 0 | 0 | 0 | 113.4 | |||||
| 522 | I | 30.5 | Very low | 28.7 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | cis | 85.9 | 135 | 15 | -56.1 | 173.1 | 0 | 0 | 0 | 114.4 | ||||
| 523 | P | 34.4 | Very low | 29 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -133.6 | -164.4 | -20.4 | 41.3 | -22.7 | 0 | 0 | 0 | 114.1 | ||||
| 524 | I | 32.9 | Very low | 29.4 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | -179.3 | 143.9 | 124 | -91.7 | 159.8 | 0 | 0 | 0 | 111.2 | |||||
| 525 | Q | 30.2 | Very low | 29.6 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -120.4 | 168.7 | 172.7 | -75.2 | -167.1 | -3.4 | 0 | 0 | 111.3 | ||||
| 526 | P | 32.9 | Very low | 29.8 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | -125.7 | 143.7 | 101.7 | 36 | -31.5 | 0 | 0 | 0 | 112.8 | |||||
| 527 | K | 29.9 | Very low | 30 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | 79.9 | 146.3 | 54.6 | -104.8 | -154.8 | 168.5 | -176.8 | 0 | 114.3 | |||||
| 528 | P | 30.2 | Very low | 30.4 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | -138.5 | 175.7 | -100.1 | 43.1 | -26.6 | 0 | 0 | 0 | 116.9 | |||||
| 529 | S | 27.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | 39.6 | 135.2 | 144.7 | -57.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 530 | I | 31 | Very low | 30.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -83.9 | 149.6 | 178.3 | -64.7 | 162.2 | 0 | 0 | 0 | 112.8 | ||||
| 531 | L | 27.5 | Very low | 30.5 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -139.4 | 157.1 | 154.5 | -126.5 | 66.6 | 0 | 0 | 0 | 106.3 | ||||
| 532 | S | 30.3 | Very low | 30.4 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | cis | -145.6 | 174.5 | 12.5 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 533 | T | 28.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | -18.3 | 148.3 | 129.3 | -9.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 534 | E | 32.6 | Very low | 30.4 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | cis | -153.5 | 179.1 | 33.4 | -73.7 | 172.5 | 169 | 0 | 0 | 108 | ||||
| 535 | S | 29.1 | Very low | 30.3 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 59% | 0.587 | 74% | 0.737 | S | S | * | * | cis | 176.1 | 149.2 | -29.6 | 70 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 536 | I | 33.3 | Very low | 30.4 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | trans | 75 | 142.5 | 158.2 | -58 | 162.5 | 0 | 0 | 0 | 118.2 | ||||
| 537 | D | 28 | Very low | 30.5 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -75.7 | -170.2 | 175 | -49 | -93.6 | 0 | 0 | 0 | 112.3 | ||||
| 538 | P | 34.1 | Very low | 30.5 | Very low | 106 Ų | 106 | 130 Ų | 130 | 69% | 0.688 | 72% | 0.716 | S | S | * | * | cis | -136.6 | 179.9 | -4.1 | 43.3 | -24.9 | 0 | 0 | 0 | 115.9 | ||||
| 539 | I | 26 | Very low | 30.6 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | trans | 30.4 | 130.8 | 136.5 | -59 | 168.1 | 0 | 0 | 0 | 120 | ||||
| 540 | Q | 29.2 | Very low | 31 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | trans | 94.2 | 114.4 | 152 | -92.1 | -176 | -79.9 | 0 | 0 | 122.3 | ||||
| 541 | D | 28.8 | Very low | 31.1 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | 81.1 | 144.2 | 124.7 | -89.2 | -39.4 | 0 | 0 | 0 | 124.2 | |||||
| 542 | S | 32.4 | Very low | 31.4 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | 74.2 | 113.3 | 154.6 | 71 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 543 | K | 32.9 | Very low | 31.7 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | 64.1 | 143.2 | 120.5 | -66.6 | 176.7 | 160.7 | -79.8 | 0 | 118.7 | |||||
| 544 | E | 31.3 | Very low | 31.9 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | cis | -161.6 | 153.9 | -9.1 | -124.1 | 154.8 | -173.9 | 0 | 0 | 108.4 | ||||
| 545 | V | 31.5 | Very low | 31.8 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | trans | 34.3 | 117.4 | 131.1 | 175.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 546 | N | 32.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | -171.7 | 154.9 | 61.2 | -140.9 | 0.6 | 0 | 0 | 0 | 116.7 | |||||
| 547 | N | 33.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | trans | 52.8 | 129.4 | 134.8 | -81.9 | 7 | 0 | 0 | 0 | 125 | ||||
| 548 | N | 31.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | 84.1 | 146.7 | 125 | -67.9 | 27.9 | 0 | 0 | 0 | 119.8 | |||||
| 549 | D | 32.9 | Very low | 31.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | cis | -155.9 | 169.6 | 2.7 | -130.5 | -34.7 | 0 | 0 | 0 | 115.5 | ||||
| 550 | V | 34.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | 67.7 | 144.6 | 146.9 | 159.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 551 | L | 33.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | cis | -171.7 | 161 | -40.8 | -142 | 80.2 | 0 | 0 | 0 | 110.3 | ||||
| 552 | G | 33.4 | Very low | 31.8 | Very low | 60 Ų | 60 | 123.7 Ų | 123.7 | 62% | 0.619 | 71% | 0.712 | S | S | * | * | trans | 93.1 | 137.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 553 | S | 36.9 | Very low | 31.6 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | cis | -149 | 128.4 | -7.4 | -71.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 554 | Q | 31.8 | Very low | 31.5 | Very low | 181 Ų | 181 | 123.5 Ų | 123.5 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | 50.6 | 112.6 | 83.8 | -68.6 | -166.9 | 19.3 | 0 | 0 | 115.2 | |||||
| 555 | S | 31.4 | Very low | 31.5 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | 179.7 | 128.1 | 115.3 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 556 | S | 29.9 | Very low | 31.5 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | trans | 40.6 | 120.9 | 141 | 59.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 557 | D | 30.4 | Very low | 31.4 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | 86.3 | 142.1 | 58 | -75.8 | -51 | 0 | 0 | 0 | 114.5 | |||||
| 558 | S | 30.5 | Very low | 31.2 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | 66.2 | 157.2 | 170.9 | 80.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 559 | L | 29.9 | Very low | 31 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | cis | -163.9 | 173.9 | -32.4 | -113.4 | 168.7 | 0 | 0 | 0 | 105.9 | ||||
| 560 | D | 27.8 | Very low | 30.9 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 47 | 103.9 | 152.3 | -66.2 | -25.3 | 0 | 0 | 0 | 120.2 | ||||
| 561 | S | 28.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | 129.6 | 160.2 | 100.2 | 72.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 562 | L | 30 | Very low | 30.4 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | 68.3 | 101.9 | 161.7 | -95.6 | 69.5 | 0 | 0 | 0 | 120.4 | ||||
| 563 | D | 29 | Very low | 30.2 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | 73.8 | 105.1 | 114.5 | -99.1 | 17.2 | 0 | 0 | 0 | 121.9 | |||||
| 564 | K | 29.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 131 Ų | 131 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | 73.7 | 151.1 | 123.1 | -67.2 | -179.2 | -178.4 | 76.5 | 0 | 120.6 | |||||
| 565 | F | 31.7 | Very low | 29.9 | Very low | 186 Ų | 186 | 126.7 Ų | 126.7 | 82% | 0.816 | 71% | 0.71 | S | S | * | * | trans | 79.3 | 93.2 | 168.3 | -49.1 | -64.2 | 0 | 0 | 0 | 114.4 | ||||
| 566 | A | 32.5 | Very low | 30 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 63% | 0.628 | 71% | 0.713 | S | S | * | * | 83.3 | 139.7 | 61.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 567 | D | 29.3 | Very low | 30 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | cis | -158.5 | 166.3 | -11.9 | -103.1 | -29.2 | 0 | 0 | 0 | 109.4 | ||||
| 568 | D | 29.1 | Very low | 29.9 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | 43.5 | 118.8 | 157.6 | -60.3 | -32.2 | 0 | 0 | 0 | 121.1 | ||||
| 569 | N | 27.8 | Very low | 30.2 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | 168.5 | 119 | 99.5 | -90.2 | -73.1 | 0 | 0 | 0 | 115.3 | |||||
| 570 | L | 29.4 | Very low | 30.6 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | 59.6 | 134.3 | 137 | -60.2 | 171.7 | 0 | 0 | 0 | 124.2 | ||||
| 571 | S | 28.5 | Very low | 31.9 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 59% | 0.594 | 69% | 0.693 | S | S | * | * | trans | 83.8 | 139.4 | 148.3 | 85 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 572 | S | 30.2 | Very low | 33.7 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | S | Bend | -152.1 | -28.1 | 105.4 | -77.3 | 0 | 0 | 0 | 0 | 113.2 | E574 I575 | S572-E574 VanDerWaalsContact C-N 3.28Å; S572-E574 PolarHBondContact O-N 3.39Å; S572-I575 WeakPolarHBondContact O-CG1 3.2Å; S572-I575 PolarHBondContact O-N 3.06Å | |
| 573 | D | 30.6 | Very low | 35.5 | Very low | 169 Ų | 169 | 121.4 Ų | 121.4 | 90% | 0.904 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -9.3 | -175.2 | -77 | -42.6 | 0 | 0 | 0 | 116.3 | ||
| 574 | E | 30.2 | Very low | 37.8 | Very low | 168 Ų | 168 | 118.4 Ų | 118.4 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -15.7 | 174.1 | -88.5 | -165.6 | 123.1 | 0 | 0 | 114.7 | S572 I576 R577 | S572-E574 VanDerWaalsContact C-N 3.28Å; S572-E574 PolarHBondContact O-N 3.39Å; E574-I576 PolarHBondContact O-N 2.88Å; E574-I576 VanDerWaalsContact O-N 3.1Å; E574-R577 PolarHBondContact O-N 3.45Å; E574-R577 VanDerWaalsContact O-N 3.09Å |
| 575 | I | 31.2 | Very low | 40.1 | Very low | 92 Ų | 92 | 111.8 Ų | 111.8 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -60 | -33.3 | -168 | -62.8 | 172.7 | 0 | 0 | 0 | 112.3 | S572 R577 G578 C579 | S572-I575 WeakPolarHBondContact O-CG1 3.2Å; S572-I575 PolarHBondContact O-N 3.06Å; I575-R577 PolarHBondContact O-N 3.07Å; I575-R577 VanDerWaalsContact O-N 3.09Å; I575-G578 PolarHBondContact O-N 3.09Å; I575-C579 PolarHBondContact O-SG 3.13Å; I575-C579 VanDerWaalsContact O-SG 3.38Å |
| 576 | I | 34.1 | Very low | 42.4 | Very low | 157 Ų | 157 | 105.7 Ų | 105.7 | 81% | 0.805 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -65.5 | -15.4 | -176.3 | -60 | 177.3 | 0 | 0 | 0 | 112.3 | E574 | E574-I576 PolarHBondContact O-N 2.88Å; E574-I576 VanDerWaalsContact O-N 3.1Å |
| 577 | R | 29.1 | Very low | 44.8 | Very low | 246 Ų | 246 | 103.7 Ų | 103.7 | 93% | 0.928 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -96 | 0.8 | 176.1 | -157.7 | 168.2 | -74 | -136 | 1.8 | 114.3 | E574 I575 | E574-R577 PolarHBondContact O-N 3.45Å; E574-R577 VanDerWaalsContact O-N 3.09Å; I575-R577 PolarHBondContact O-N 3.07Å; I575-R577 VanDerWaalsContact O-N 3.09Å |
| 578 | G | 28.3 | Very low | 47.3 | Very low | 61 Ų | 61 | 99.5 Ų | 99.5 | 63% | 0.629 | 54% | 0.543 | S | S | * | . | trans | -117 | 5.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | I575 E580 | I575-G578 PolarHBondContact O-N 3.09Å; G578-E580 VanDerWaalsContact C-N 3.26Å; G578-E580 PolarHBondContact O-N 3.15Å | ||
| 579 | C | 37 | Very low | 49.9 | Very low | 72 Ų | 72 | 95.8 Ų | 95.8 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | trans | -73.9 | 30 | -162.2 | -72.2 | 0 | 0 | 0 | 0 | 118.3 | I575 G581 | I575-C579 PolarHBondContact O-SG 3.13Å; I575-C579 VanDerWaalsContact O-SG 3.38Å; C579-G581 PolarHBondContact O-N 2.91Å | ||
| 580 | E | 38.8 | Very low | 52.4 | Low | 206 Ų | 206 | 94.3 Ų | 94.3 | 96% | 0.963 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 58.5 | 170.2 | -69.7 | -152.5 | 152.8 | 0 | 0 | 112.8 | G578 | G578-E580 VanDerWaalsContact C-N 3.26Å; G578-E580 PolarHBondContact O-N 3.15Å |
| 581 | G | 54.2 | Low | 54.9 | Low | 24 Ų | 24 | 91.2 Ų | 91.2 | 25% | 0.247 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -171.2 | -13.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | C579 I622 | C579-G581 PolarHBondContact O-N 2.91Å; G581-I622 WeakPolarHBondContact O-CB 3.5Å; G581-I622 WeakPolarHBondContact O-CG1 3.41Å; G581-I622 PolarHBondContact O-N 3.27Å |
| 582 | L | 67.5 | Low | 57.6 | Low | 87 Ų | 87 | 87.2 Ų | 87.2 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 143.3 | -175.6 | -66 | 168.2 | 0 | 0 | 0 | 112.8 | F619 Q621 | L582-F619 HydrophobicContact CD2-CB 4.39Å; L582-Q621 HydrophobicContact CD2-CB 4.1Å |
| 583 | V | 67.5 | Low | 60.3 | Low | 26 Ų | 26 | 86.6 Ų | 86.6 | 16% | 0.158 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138.5 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | F585 V620 I622 | V583-F585 HydrophobicContact CG1-CE1 4.44Å; V583-F585 HydrophobicContact CG1-CZ 4.23Å; V583-V620 PolarHBondContact N-O 3.31Å; V583-V620 WeakPolarHBondContact O-CB 3.16Å; V583-V620 PolarHBondContact O-N 2.85Å; V583-I622 HydrophobicContact CB-CG1 4.39Å; V583-I622 HydrophobicContact CG2-CD1 4.36Å; V583-I622 HydrophobicContact CG2-CG1 3.71Å |
| 584 | S | 77.4 | Confident | 62.7 | Low | 50 Ų | 50 | 82.7 Ų | 82.7 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | trans | -113.8 | 169.5 | 169 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 585 | F | 78.2 | Confident | 65.2 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.42 | C | S | . | . | trans | -127.4 | 93.4 | -171.2 | -61.7 | -82.8 | 0 | 0 | 0 | 112 | V583 F615 S616 V620 L645 F648 L673 | V583-F585 HydrophobicContact CG1-CE1 4.44Å; V583-F585 HydrophobicContact CG1-CZ 4.23Å; F585-F615 HydrophobicContact CB-CD1 4.34Å; F585-F615 HydrophobicContact CB-CE1 3.46Å; F585-F615 VanDerWaalsContact CB-CE1 3.46Å; F585-F615 HydrophobicContact CB-CZ 3.96Å; F585-F615 HydrophobicContact CD2-CZ 4.42Å; F585-F615 HydrophobicContact CG-CE1 4.2Å; F585-F615 HydrophobicContact CG-CZ 4.19Å; F585-S616 WeakPolarHBondContact O-CA 3.41Å; F585-S616 WeakPolarHBondContact O-CB 3.32Å; F585-V620 HydrophobicContact CD2-CG2 4.37Å; F585-V620 HydrophobicContact CE2-CB 4.01Å; F585-V620 HydrophobicContact CE2-CG1 4.37Å; F585-V620 HydrophobicContact CE2-CG2 3.8Å; F585-L645 HydrophobicContact CE1-CD2 4.08Å; F585-L645 HydrophobicContact CZ-CD2 3.72Å; F585-F648 HydrophobicContact CD2-CE1 4.38Å; F585-F648 HydrophobicContact CE2-CD1 4.37Å; F585-F648 AromaticContact CE2-CE1 3.64Å; F585-F648 HydrophobicContact CE2-CE1 3.64Å; F585-F648 HydrophobicContact CZ-CD1 4.35Å; F585-F648 HydrophobicContact CZ-CE1 4.06Å; F585-L673 HydrophobicContact CD1-CD2 4.15Å; F585-L673 HydrophobicContact CD1-CG 4.33Å; F585-L673 HydrophobicContact CE1-CD2 3.64Å; F585-L673 HydrophobicContact CE1-CG 4.09Å | ||
| 586 | P | 79.3 | Confident | 67.6 | Low | 59 Ų | 59 | 73.7 Ų | 73.7 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | trans | -59.8 | 145.5 | -179.5 | 21.3 | -32.6 | 0 | 0 | 0 | 113.6 | Y672 | P586-Y672 VanDerWaalsContact CD-O 3.29Å; P586-Y672 WeakPolarHBondContact CD-O 3.47Å; P586-Y672 PolarHBondContact O-N 2.97Å | ||
| 587 | F | 83.6 | Confident | 69.7 | Low | 34 Ų | 34 | 70 Ų | 70 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -115.9 | 136.4 | 178.3 | 169 | -130.2 | 0 | 0 | 0 | 109.9 | E589 F592 V609 M612 F670 | F587-E589 HydrophobicContact CD1-CB 4.29Å; F587-E589 HydrophobicContact CE1-CB 3.77Å; F587-E589 HydrophobicContact CE1-CG 4.26Å; F587-E589 HydrophobicContact CZ-CB 4.22Å; F587-F592 HydrophobicContact CE2-CB 3.5Å; F587-F592 HydrophobicContact CE2-CD1 4.46Å; F587-F592 AromaticContact CE2-CD2 3.59Å; F587-F592 HydrophobicContact CE2-CD2 3.59Å; F587-F592 HydrophobicContact CE2-CE2 4.44Å; F587-F592 AromaticContact CE2-CG 3.61Å; F587-F592 HydrophobicContact CE2-CG 3.61Å; F587-F592 HydrophobicContact CZ-CB 3.65Å; F587-F592 HydrophobicContact CZ-CD1 4.02Å; F587-F592 AromaticContact CZ-CD2 3.94Å; F587-F592 HydrophobicContact CZ-CD2 3.94Å; F587-F592 AromaticContact CZ-CG 3.61Å; F587-F592 HydrophobicContact CZ-CG 3.61Å; F587-V609 HydrophobicContact CE1-CG1 4.47Å; F587-V609 HydrophobicContact CE1-CG2 4.32Å; F587-V609 HydrophobicContact CZ-CG2 4.15Å; F587-M612 HydrophobicContact CD1-CB 3.73Å; F587-M612 HydrophobicContact CD2-CB 4.05Å; F587-M612 HydrophobicContact CD2-CE 3.21Å; F587-M612 HydrophobicContact CE1-CB 3.58Å; F587-M612 HydrophobicContact CE2-CB 3.89Å; F587-M612 HydrophobicContact CE2-CE 3.44Å; F587-M612 VanDerWaalsContact CE2-CE 3.44Å; F587-M612 HydrophobicContact CE2-CG 4.17Å; F587-M612 HydrophobicContact CG-CB 3.96Å; F587-M612 HydrophobicContact CG-CE 3.96Å; F587-M612 HydrophobicContact CZ-CB 3.66Å; F587-M612 HydrophobicContact CZ-CE 4.35Å; F587-M612 HydrophobicContact CZ-CG 4.21Å; F587-F670 HydrophobicContact CD2-CB 4.18Å; F587-F670 HydrophobicContact CE2-CB 4.08Å |
| 588 | D | 81.2 | Confident | 72 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 28% | 0.278 | 38% | 0.379 | S | S | . | . | trans | -101.9 | 89.3 | 176.2 | -175.4 | -12.4 | 0 | 0 | 0 | 109.5 | C590 K591 F592 Y672 | D588-C590 VanDerWaalsContact C-N 3.34Å; D588-C590 PolarHBondContact OD1-N 2.72Å; D588-K591 HydrophobicContact CB-CB 4.23Å; D588-K591 PolarHBondContact O-N 2.83Å; D588-K591 WeakPolarHBondContact OD1-CB 3.3Å; D588-K591 PolarHBondContact OD1-N 2.69Å; D588-K591 WeakPolarHBondContact OD2-CB 3.26Å; D588-F592 VanDerWaalsContact O-CB 3.26Å; D588-F592 WeakPolarHBondContact O-CB 3.27Å; D588-F592 PolarHBondContact O-N 3.47Å; D588-Y672 HydrophobicContact CB-CD2 4.09Å; D588-Y672 HydrophobicContact CB-CE2 3.53Å | ||
| 589 | E | 83.9 | Confident | 74.4 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | -179.6 | -178.8 | 174.6 | -172.6 | 0 | 0 | 112.1 | F587 K591 F592 R593 V609 K613 | F587-E589 HydrophobicContact CD1-CB 4.29Å; F587-E589 HydrophobicContact CE1-CB 3.77Å; F587-E589 HydrophobicContact CE1-CG 4.26Å; F587-E589 HydrophobicContact CZ-CB 4.22Å; E589-K591 VanDerWaalsContact C-N 3.33Å; E589-K591 PolarHBondContact O-N 3.28Å; E589-F592 PolarHBondContact O-N 2.85Å; E589-R593 HydrophobicContact CG-CG 4.22Å; E589-R593 WeakPolarHBondContact O-CB 3.21Å; E589-R593 WeakPolarHBondContact O-CG 3.45Å; E589-R593 PolarHBondContact O-N 2.75Å; E589-R593 IonicContact OE1-CZ 2.74Å; E589-R593 IonicContact OE1-NE 3.19Å; E589-R593 PolarHBondContact OE1-NE 3.04Å; E589-R593 IonicContact OE1-NH2 2.68Å; E589-R593 PolarHBondContact OE1-NH2 3.12Å; E589-V609 HydrophobicContact CG-CG1 4.22Å; E589-V609 HydrophobicContact CG-CG2 4.21Å; E589-V609 VanDerWaalsContact OE1-CG1 3.24Å; E589-V609 WeakPolarHBondContact OE1-CG1 3.5Å; E589-K613 IonicContact OE1-NZ 2.66Å; E589-K613 PolarHBondContact OE1-NZ 2.65Å; E589-K613 WeakPolarHBondContact OE2-CE 3.21Å; E589-K613 IonicContact OE2-NZ 2.92Å; E589-K613 PolarHBondContact OE2-NZ 2.63Å |
| 590 | C | 80.9 | Confident | 76.4 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 71% | 0.709 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | -179.1 | -61 | 0 | 0 | 0 | 0 | 110.9 | D588 S594 | D588-C590 VanDerWaalsContact C-N 3.34Å; D588-C590 PolarHBondContact OD1-N 2.72Å; C590-S594 WeakPolarHBondContact O-CB 3.24Å; C590-S594 PolarHBondContact O-N 3.05Å; C590-S594 VanDerWaalsContact O-N 3.12Å; C590-S594 PolarHBondContact O-OG 3.29Å |
| 591 | K | 81.1 | Confident | 78.5 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -77.1 | -33.6 | 178.1 | -157.6 | -173.9 | 167.1 | 178.7 | 0 | 113.3 | D588 E589 S594 E595 F670 | D588-K591 HydrophobicContact CB-CB 4.23Å; D588-K591 PolarHBondContact O-N 2.83Å; D588-K591 WeakPolarHBondContact OD1-CB 3.3Å; D588-K591 PolarHBondContact OD1-N 2.69Å; D588-K591 WeakPolarHBondContact OD2-CB 3.26Å; E589-K591 VanDerWaalsContact C-N 3.33Å; E589-K591 PolarHBondContact O-N 3.28Å; K591-S594 WeakPolarHBondContact CA-OG 3.28Å; K591-S594 PolarHBondContact O-OG 3.04Å; K591-E595 WeakPolarHBondContact CE-OE1 3.25Å; K591-E595 IonicContact NZ-OE1 3.87Å; K591-E595 PolarHBondContact NZ-OE1 3.49Å; K591-E595 WeakPolarHBondContact O-CB 3.44Å; K591-E595 PolarHBondContact O-N 3.04Å; K591-E595 VanDerWaalsContact O-N 3.11Å; K591-F670 HydrophobicContact CB-CD1 4.25Å; K591-F670 HydrophobicContact CB-CE1 4.27Å; K591-F670 HydrophobicContact CD-CD1 4.48Å; K591-F670 HydrophobicContact CD-CE1 4.3Å; K591-F670 HydrophobicContact CG-CD1 4.34Å; K591-F670 HydrophobicContact CG-CE1 3.98Å; K591-F670 WeakPolarHBondContact O-CE1 3.31Å |
| 592 | F | 85.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 173 | -179.5 | -85.8 | 0 | 0 | 0 | 111.4 | F587 D588 E589 L596 I605 L608 V609 F670 | F587-F592 HydrophobicContact CE2-CB 3.5Å; F587-F592 HydrophobicContact CE2-CD1 4.46Å; F587-F592 AromaticContact CE2-CD2 3.59Å; F587-F592 HydrophobicContact CE2-CD2 3.59Å; F587-F592 HydrophobicContact CE2-CE2 4.44Å; F587-F592 AromaticContact CE2-CG 3.61Å; F587-F592 HydrophobicContact CE2-CG 3.61Å; F587-F592 HydrophobicContact CZ-CB 3.65Å; F587-F592 HydrophobicContact CZ-CD1 4.02Å; F587-F592 AromaticContact CZ-CD2 3.94Å; F587-F592 HydrophobicContact CZ-CD2 3.94Å; F587-F592 AromaticContact CZ-CG 3.61Å; F587-F592 HydrophobicContact CZ-CG 3.61Å; D588-F592 VanDerWaalsContact O-CB 3.26Å; D588-F592 WeakPolarHBondContact O-CB 3.27Å; D588-F592 PolarHBondContact O-N 3.47Å; E589-F592 PolarHBondContact O-N 2.85Å; F592-L596 HydrophobicContact CD1-CD1 4.14Å; F592-L596 HydrophobicContact CD2-CD1 3.75Å; F592-L596 HydrophobicContact CE1-CD1 3.87Å; F592-L596 HydrophobicContact CE2-CD1 3.44Å; F592-L596 VanDerWaalsContact CE2-CD1 3.44Å; F592-L596 HydrophobicContact CG-CD1 4.08Å; F592-L596 HydrophobicContact CZ-CD1 3.49Å; F592-L596 VanDerWaalsContact CZ-CD1 3.49Å; F592-L596 VanDerWaalsContact O-CB 3.29Å; F592-L596 WeakPolarHBondContact O-CB 3.34Å; F592-L596 WeakPolarHBondContact O-CG 3.23Å; F592-L596 PolarHBondContact O-N 3.17Å; F592-L596 VanDerWaalsContact O-N 3.15Å; F592-I605 HydrophobicContact CD1-CG2 4.33Å; F592-I605 HydrophobicContact CE1-CG2 4.02Å; F592-L608 HydrophobicContact CE1-CB 4.17Å; F592-L608 HydrophobicContact CZ-CB 3.68Å; F592-L608 HydrophobicContact CZ-CD1 4.02Å; F592-V609 HydrophobicContact CD1-CG2 3.75Å; F592-V609 HydrophobicContact CE1-CG2 3.84Å; F592-F670 HydrophobicContact CB-CB 4.29Å; F592-F670 HydrophobicContact CB-CD1 4.26Å; F592-F670 HydrophobicContact CB-CD2 4.14Å; F592-F670 HydrophobicContact CB-CG 3.97Å; F592-F670 HydrophobicContact CD2-CB 4.11Å; F592-F670 AromaticContact CD2-CD2 3.37Å; F592-F670 HydrophobicContact CD2-CD2 3.37Å; F592-F670 AromaticContact CD2-CE2 3.97Å; F592-F670 HydrophobicContact CD2-CE2 3.97Å; F592-F670 AromaticContact CD2-CG 3.9Å; F592-F670 HydrophobicContact CD2-CG 3.9Å; F592-F670 HydrophobicContact CE2-CD2 4.16Å; F592-F670 HydrophobicContact CG-CD2 4.15Å; F592-F670 HydrophobicContact CG-CG 4.42Å |
| 593 | R | 86.2 | Confident | 80.6 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -54.4 | 178.1 | -71 | -178.3 | 178.9 | -82.3 | 1.9 | 110.9 | E589 E595 L596 C597 I605 D606 V609 | E589-R593 HydrophobicContact CG-CG 4.22Å; E589-R593 WeakPolarHBondContact O-CB 3.21Å; E589-R593 WeakPolarHBondContact O-CG 3.45Å; E589-R593 PolarHBondContact O-N 2.75Å; E589-R593 IonicContact OE1-CZ 2.74Å; E589-R593 IonicContact OE1-NE 3.19Å; E589-R593 PolarHBondContact OE1-NE 3.04Å; E589-R593 IonicContact OE1-NH2 2.68Å; E589-R593 PolarHBondContact OE1-NH2 3.12Å; R593-E595 VanDerWaalsContact C-N 3.34Å; R593-E595 PolarHBondContact O-N 3.18Å; R593-L596 PolarHBondContact O-N 3.26Å; R593-L596 VanDerWaalsContact O-N 3.14Å; R593-C597 WeakPolarHBondContact O-CB 3.43Å; R593-C597 PolarHBondContact O-N 3.31Å; R593-C597 PolarHBondContact O-SG 2.82Å; R593-I605 HydrophobicContact CG-CG2 4.07Å; R593-D606 IonicContact CZ-OD1 2.66Å; R593-D606 IonicContact NH1-OD1 2.68Å; R593-D606 PolarHBondContact NH1-OD1 2.83Å; R593-D606 IonicContact NH2-OD1 2.58Å; R593-D606 PolarHBondContact NH2-OD1 3.26Å; R593-V609 HydrophobicContact CG-CG2 4.43Å |
| 594 | S | 82.5 | Confident | 81.5 | Confident | 86 Ų | 86 | 66.3 Ų | 66.3 | 60% | 0.601 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.2 | -34.5 | -175.7 | 50.2 | 0 | 0 | 0 | 0 | 114.5 | C590 K591 | C590-S594 WeakPolarHBondContact O-CB 3.24Å; C590-S594 PolarHBondContact O-N 3.05Å; C590-S594 VanDerWaalsContact O-N 3.12Å; C590-S594 PolarHBondContact O-OG 3.29Å; K591-S594 WeakPolarHBondContact CA-OG 3.28Å; K591-S594 PolarHBondContact O-OG 3.04Å |
| 595 | E | 81.7 | Confident | 81.9 | Confident | 69 Ų | 69 | 64 Ų | 64 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -83.4 | -19.9 | 175.7 | -76.7 | -172.5 | -170.7 | 0 | 0 | 114.5 | K591 R593 R669 F670 | K591-E595 WeakPolarHBondContact CE-OE1 3.25Å; K591-E595 IonicContact NZ-OE1 3.87Å; K591-E595 PolarHBondContact NZ-OE1 3.49Å; K591-E595 WeakPolarHBondContact O-CB 3.44Å; K591-E595 PolarHBondContact O-N 3.04Å; K591-E595 VanDerWaalsContact O-N 3.11Å; R593-E595 VanDerWaalsContact C-N 3.34Å; R593-E595 PolarHBondContact O-N 3.18Å; E595-R669 IonicContact OE2-CZ 3.38Å; E595-R669 VanDerWaalsContact OE2-CZ 3.29Å; E595-R669 IonicContact OE2-NE 3.04Å; E595-R669 PolarHBondContact OE2-NE 3.38Å; E595-R669 VanDerWaalsContact OE2-NE 3.13Å; E595-R669 IonicContact OE2-NH2 2.89Å; E595-R669 PolarHBondContact OE2-NH2 2.81Å; E595-F670 HydrophobicContact CB-CE1 4.23Å; E595-F670 HydrophobicContact CB-CZ 3.75Å; E595-F670 HydrophobicContact CG-CE1 4.4Å; E595-F670 HydrophobicContact CG-CZ 4.32Å; E595-F670 WeakPolarHBondContact OE2-CE1 3.43Å; E595-F670 WeakPolarHBondContact OE2-CZ 3.47Å |
| 596 | L | 82 | Confident | 82.3 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -109.8 | -16.8 | -175.7 | -65.6 | 173.8 | 0 | 0 | 0 | 115.2 | F592 R593 A598 Q599 L600 D666 F670 | F592-L596 HydrophobicContact CD1-CD1 4.14Å; F592-L596 HydrophobicContact CD2-CD1 3.75Å; F592-L596 HydrophobicContact CE1-CD1 3.87Å; F592-L596 HydrophobicContact CE2-CD1 3.44Å; F592-L596 VanDerWaalsContact CE2-CD1 3.44Å; F592-L596 HydrophobicContact CG-CD1 4.08Å; F592-L596 HydrophobicContact CZ-CD1 3.49Å; F592-L596 VanDerWaalsContact CZ-CD1 3.49Å; F592-L596 VanDerWaalsContact O-CB 3.29Å; F592-L596 WeakPolarHBondContact O-CB 3.34Å; F592-L596 WeakPolarHBondContact O-CG 3.23Å; F592-L596 PolarHBondContact O-N 3.17Å; F592-L596 VanDerWaalsContact O-N 3.15Å; R593-L596 PolarHBondContact O-N 3.26Å; R593-L596 VanDerWaalsContact O-N 3.14Å; L596-A598 PolarHBondContact O-N 2.84Å; L596-A598 VanDerWaalsContact O-N 3.1Å; L596-Q599 PolarHBondContact O-N 2.95Å; L596-L600 HydrophobicContact CB-CD1 4.42Å; L596-L600 HydrophobicContact CD1-CD1 4.37Å; L596-L600 HydrophobicContact CD2-CD1 4.46Å; L596-L600 PolarHBondContact O-N 3.36Å; L596-D666 HydrophobicContact CD1-CB 4.18Å; L596-D666 HydrophobicContact CD2-CB 4.15Å; L596-F670 HydrophobicContact CD1-CE2 3.93Å; L596-F670 HydrophobicContact CG-CE2 4.19Å |
| 597 | C | 78.6 | Confident | 82.7 | Confident | 81 Ų | 81 | 67.5 Ų | 67.5 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.1 | 172.3 | -77.5 | 0 | 0 | 0 | 0 | 113.4 | R593 I605 | R593-C597 WeakPolarHBondContact O-CB 3.43Å; R593-C597 PolarHBondContact O-N 3.31Å; R593-C597 PolarHBondContact O-SG 2.82Å; C597-I605 HydrophobicContact CB-CD1 4.28Å |
| 598 | A | 77.3 | Confident | 82.9 | Confident | 94 Ų | 94 | 66 Ų | 66 | 78% | 0.777 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L596 | L596-A598 PolarHBondContact O-N 2.84Å; L596-A598 VanDerWaalsContact O-N 3.1Å |
| 599 | Q | 77.6 | Confident | 83.2 | Confident | 134 Ų | 134 | 63.8 Ų | 63.8 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | -25.3 | -170.4 | -60.5 | -173.9 | 7.1 | 0 | 0 | 114.2 | L596 | L596-Q599 PolarHBondContact O-N 2.95Š|
| 600 | L | 80.6 | Confident | 83.4 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -126.5 | 149.9 | -175.9 | -61.8 | -179.6 | 0 | 0 | 0 | 111.6 | L596 V604 I605 L608 H663 | L596-L600 HydrophobicContact CB-CD1 4.42Å; L596-L600 HydrophobicContact CD1-CD1 4.37Å; L596-L600 HydrophobicContact CD2-CD1 4.46Å; L596-L600 PolarHBondContact O-N 3.36Å; L600-V604 HydrophobicContact CD1-CG1 4.49Å; L600-I605 HydrophobicContact CB-CD1 4.07Å; L600-I605 HydrophobicContact CB-CG1 3.73Å; L600-I605 WeakPolarHBondContact O-CD1 3.47Å; L600-L608 HydrophobicContact CD1-CD1 3.92Å; L600-H663 WeakPolarHBondContact CD2-CE1 3.5Å |
| 601 | Q | 82.6 | Confident | 83.8 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 59% | 0.589 | 35% | 0.351 | S | S | * | . | trans | -66.1 | 143.1 | 174.5 | -71.9 | -70 | -13.1 | 0 | 0 | 111.1 | H603 V604 I605 | Q601-H603 VanDerWaalsContact C-N 3.32Å; Q601-H603 VanDerWaalsContact CB-CE1 3.48Å; Q601-H603 WeakPolarHBondContact CB-CE1 3.5Å; Q601-H603 PolarHBondContact O-N 2.85Å; Q601-V604 HydrophobicContact CB-CG2 4.16Å; Q601-V604 WeakPolarHBondContact O-CB 3.16Å; Q601-V604 PolarHBondContact O-N 3.44Å; Q601-I605 PolarHBondContact O-N 2.95Å; Q601-I605 VanDerWaalsContact O-N 3.12Å | ||
| 602 | P | 80.7 | Confident | 84.1 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -53.1 | -43.2 | -175.6 | -29.7 | 36 | 0 | 0 | 0 | 114.3 | V604 I605 D606 | P602-V604 VanDerWaalsContact C-N 3.26Å; P602-V604 PolarHBondContact O-N 3.45Å; P602-I605 WeakPolarHBondContact O-CA 3.27Å; P602-I605 WeakPolarHBondContact O-CB 3.37Å; P602-I605 PolarHBondContact O-N 3.45Å; P602-D606 PolarHBondContact O-N 3.26Å |
| 603 | H | 84.4 | Confident | 84.1 | Confident | 134 Ų | 134 | 64.5 Ų | 64.5 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.6 | -31.4 | 178.3 | 65.6 | -98 | 0 | 0 | 0 | 113.5 | Q601 S607 | Q601-H603 VanDerWaalsContact C-N 3.32Å; Q601-H603 VanDerWaalsContact CB-CE1 3.48Å; Q601-H603 WeakPolarHBondContact CB-CE1 3.5Å; Q601-H603 PolarHBondContact O-N 2.85Å; H603-S607 WeakPolarHBondContact O-CB 3.39Å; H603-S607 PolarHBondContact O-N 3.34Å; H603-S607 VanDerWaalsContact O-N 3.14Å |
| 604 | V | 85.9 | Confident | 84.1 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 22% | 0.218 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.8 | -44 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | L600 Q601 P602 D606 S607 L608 H663 | L600-V604 HydrophobicContact CD1-CG1 4.49Å; Q601-V604 HydrophobicContact CB-CG2 4.16Å; Q601-V604 WeakPolarHBondContact O-CB 3.16Å; Q601-V604 PolarHBondContact O-N 3.44Å; P602-V604 VanDerWaalsContact C-N 3.26Å; P602-V604 PolarHBondContact O-N 3.45Å; V604-D606 PolarHBondContact O-N 3.31Å; V604-S607 PolarHBondContact O-N 2.88Å; V604-L608 HydrophobicContact CG1-CD1 3.89Å; V604-L608 HydrophobicContact CG1-CG 4.3Å; V604-L608 WeakPolarHBondContact O-CB 3.34Å; V604-L608 WeakPolarHBondContact O-CG 3.32Å; V604-L608 PolarHBondContact O-N 2.93Å; V604-H663 WeakPolarHBondContact CG1-NE2 3.38Å |
| 605 | I | 86.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 177.4 | -64.1 | 175.4 | 0 | 0 | 0 | 110.7 | F592 R593 C597 L600 Q601 P602 L608 V609 | F592-I605 HydrophobicContact CD1-CG2 4.33Å; F592-I605 HydrophobicContact CE1-CG2 4.02Å; R593-I605 HydrophobicContact CG-CG2 4.07Å; C597-I605 HydrophobicContact CB-CD1 4.28Å; L600-I605 HydrophobicContact CB-CD1 4.07Å; L600-I605 HydrophobicContact CB-CG1 3.73Å; L600-I605 WeakPolarHBondContact O-CD1 3.47Å; Q601-I605 PolarHBondContact O-N 2.95Å; Q601-I605 VanDerWaalsContact O-N 3.12Å; P602-I605 WeakPolarHBondContact O-CA 3.27Å; P602-I605 WeakPolarHBondContact O-CB 3.37Å; P602-I605 PolarHBondContact O-N 3.45Å; I605-L608 PolarHBondContact O-N 3.49Å; I605-V609 HydrophobicContact CG2-CG2 4.36Å; I605-V609 WeakPolarHBondContact O-CB 3.43Å; I605-V609 VanDerWaalsContact O-CG2 3.25Å; I605-V609 WeakPolarHBondContact O-CG2 3.24Å; I605-V609 PolarHBondContact O-N 3.09Å |
| 606 | D | 86.1 | Confident | 84.4 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 178.9 | -70.1 | -45.1 | 0 | 0 | 0 | 112.7 | R593 P602 V604 L608 V609 L610 | R593-D606 IonicContact CZ-OD1 2.66Å; R593-D606 IonicContact NH1-OD1 2.68Å; R593-D606 PolarHBondContact NH1-OD1 2.83Å; R593-D606 IonicContact NH2-OD1 2.58Å; R593-D606 PolarHBondContact NH2-OD1 3.26Å; P602-D606 PolarHBondContact O-N 3.26Å; V604-D606 PolarHBondContact O-N 3.31Å; D606-L608 PolarHBondContact O-N 3.32Å; D606-V609 PolarHBondContact O-N 3.02Å; D606-L610 PolarHBondContact O-N 2.98Å |
| 607 | S | 87 | Confident | 84.3 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 42% | 0.42 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 173.4 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | H603 V604 L610 K611 | H603-S607 WeakPolarHBondContact O-CB 3.39Å; H603-S607 PolarHBondContact O-N 3.34Å; H603-S607 VanDerWaalsContact O-N 3.14Å; V604-S607 PolarHBondContact O-N 2.88Å; S607-L610 PolarHBondContact O-N 3.29Å; S607-K611 PolarHBondContact O-N 3.47Å; S607-K611 VanDerWaalsContact O-N 3.16Å |
| 608 | L | 89.2 | Confident | 84.5 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | 175.4 | -67.4 | 171.4 | 0 | 0 | 0 | 111.9 | F592 L600 V604 I605 D606 L610 K611 M612 V659 H663 | F592-L608 HydrophobicContact CE1-CB 4.17Å; F592-L608 HydrophobicContact CZ-CB 3.68Å; F592-L608 HydrophobicContact CZ-CD1 4.02Å; L600-L608 HydrophobicContact CD1-CD1 3.92Å; V604-L608 HydrophobicContact CG1-CD1 3.89Å; V604-L608 HydrophobicContact CG1-CG 4.3Å; V604-L608 WeakPolarHBondContact O-CB 3.34Å; V604-L608 WeakPolarHBondContact O-CG 3.32Å; V604-L608 PolarHBondContact O-N 2.93Å; I605-L608 PolarHBondContact O-N 3.49Å; D606-L608 PolarHBondContact O-N 3.32Å; L608-L610 VanDerWaalsContact C-N 3.33Å; L608-L610 PolarHBondContact O-N 3.5Å; L608-K611 PolarHBondContact O-N 2.94Å; L608-M612 VanDerWaalsContact O-CB 3.26Å; L608-M612 WeakPolarHBondContact O-CB 3.32Å; L608-M612 WeakPolarHBondContact O-CG 3.2Å; L608-M612 PolarHBondContact O-N 2.66Å; L608-V659 HydrophobicContact CD2-CG1 3.97Å; L608-H663 HydrophobicContact CD1-CB 3.72Å; L608-H663 HydrophobicContact CD2-CB 3.82Å; L608-H663 HydrophobicContact CG-CB 4.45Å |
| 609 | V | 87.8 | Confident | 84.6 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 175.1 | 159.2 | 0 | 0 | 0 | 0 | 111.2 | F587 E589 F592 R593 I605 D606 M612 K613 | F587-V609 HydrophobicContact CE1-CG1 4.47Å; F587-V609 HydrophobicContact CE1-CG2 4.32Å; F587-V609 HydrophobicContact CZ-CG2 4.15Å; E589-V609 HydrophobicContact CG-CG1 4.22Å; E589-V609 HydrophobicContact CG-CG2 4.21Å; E589-V609 VanDerWaalsContact OE1-CG1 3.24Å; E589-V609 WeakPolarHBondContact OE1-CG1 3.5Å; F592-V609 HydrophobicContact CD1-CG2 3.75Å; F592-V609 HydrophobicContact CE1-CG2 3.84Å; R593-V609 HydrophobicContact CG-CG2 4.43Å; I605-V609 HydrophobicContact CG2-CG2 4.36Å; I605-V609 WeakPolarHBondContact O-CB 3.43Å; I605-V609 VanDerWaalsContact O-CG2 3.25Å; I605-V609 WeakPolarHBondContact O-CG2 3.24Å; I605-V609 PolarHBondContact O-N 3.09Å; D606-V609 PolarHBondContact O-N 3.02Å; V609-M612 PolarHBondContact O-N 3.12Å; V609-K613 HydrophobicContact CG1-CD 4.01Å; V609-K613 WeakPolarHBondContact O-CB 3.22Å; V609-K613 WeakPolarHBondContact O-CG 3.38Å; V609-K613 PolarHBondContact O-N 3.26Å |
| 610 | L | 87.4 | Confident | 84.7 | Confident | 124 Ų | 124 | 56.3 Ų | 56.3 | 65% | 0.649 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.7 | -50.2 | 175.8 | -165.1 | 78.7 | 0 | 0 | 0 | 110.7 | D606 S607 L608 M612 K613 Q614 | D606-L610 PolarHBondContact O-N 2.98Å; S607-L610 PolarHBondContact O-N 3.29Å; L608-L610 VanDerWaalsContact C-N 3.33Å; L608-L610 PolarHBondContact O-N 3.5Å; L610-M612 VanDerWaalsContact C-N 3.29Å; L610-M612 PolarHBondContact O-N 2.95Å; L610-K613 PolarHBondContact O-N 2.57Å; L610-Q614 PolarHBondContact O-N 3.29Å |
| 611 | K | 88.3 | Confident | 84.7 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 19% | 0.187 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 176.3 | -72.6 | 173.6 | 163.8 | -169.2 | 0 | 112.5 | S607 L608 F615 L657 E658 V659 | S607-K611 PolarHBondContact O-N 3.47Å; S607-K611 VanDerWaalsContact O-N 3.16Å; L608-K611 PolarHBondContact O-N 2.94Å; K611-F615 WeakPolarHBondContact O-CB 3.39Å; K611-F615 PolarHBondContact O-N 2.98Å; K611-L657 WeakPolarHBondContact CD-O 3.4Å; K611-L657 WeakPolarHBondContact CE-O 3.24Å; K611-L657 PolarHBondContact NZ-O 3.25Å; K611-E658 PolarHBondContact NZ-O 2.91Å; K611-V659 HydrophobicContact CB-CG2 4.02Å; K611-V659 HydrophobicContact CD-CG2 4.19Å |
| 612 | M | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77.3 | -30.3 | 176.9 | -73 | -72.7 | -69 | 0 | 0 | 113.4 | F587 L608 V609 L610 F615 S616 L653 C667 T671 | F587-M612 HydrophobicContact CD1-CB 3.73Å; F587-M612 HydrophobicContact CD2-CB 4.05Å; F587-M612 HydrophobicContact CD2-CE 3.21Å; F587-M612 HydrophobicContact CE1-CB 3.58Å; F587-M612 HydrophobicContact CE2-CB 3.89Å; F587-M612 HydrophobicContact CE2-CE 3.44Å; F587-M612 VanDerWaalsContact CE2-CE 3.44Å; F587-M612 HydrophobicContact CE2-CG 4.17Å; F587-M612 HydrophobicContact CG-CB 3.96Å; F587-M612 HydrophobicContact CG-CE 3.96Å; F587-M612 HydrophobicContact CZ-CB 3.66Å; F587-M612 HydrophobicContact CZ-CE 4.35Å; F587-M612 HydrophobicContact CZ-CG 4.21Å; L608-M612 VanDerWaalsContact O-CB 3.26Å; L608-M612 WeakPolarHBondContact O-CB 3.32Å; L608-M612 WeakPolarHBondContact O-CG 3.2Å; L608-M612 PolarHBondContact O-N 2.66Å; V609-M612 PolarHBondContact O-N 3.12Å; L610-M612 VanDerWaalsContact C-N 3.29Å; L610-M612 PolarHBondContact O-N 2.95Å; M612-F615 WeakPolarHBondContact O-CB 3.5Å; M612-S616 PolarHBondContact O-N 3.35Å; M612-L653 HydrophobicContact SD-CD2 3.94Å; M612-C667 HydrophobicContact CE-CB 4.32Å; M612-C667 VanDerWaalsContact CE-O 3.29Å; M612-C667 WeakPolarHBondContact CE-O 3.36Å; M612-C667 HydrophobicContact CG-CB 4.44Å; M612-C667 HydrophobicContact SD-CB 3.57Å; M612-C667 VanDerWaalsContact SD-CB 3.57Å; M612-T671 HydrophobicContact CE-CG2 3.53Å; M612-T671 HydrophobicContact SD-CG2 4.04Å |
| 613 | K | 85.2 | Confident | 84.3 | Confident | 90 Ų | 90 | 55.7 Ų | 55.7 | 39% | 0.391 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 167.9 | -79 | 168.3 | 175.4 | 162.8 | 0 | 110.2 | E589 V609 L610 F615 S616 S617 | E589-K613 IonicContact OE1-NZ 2.66Å; E589-K613 PolarHBondContact OE1-NZ 2.65Å; E589-K613 WeakPolarHBondContact OE2-CE 3.21Å; E589-K613 IonicContact OE2-NZ 2.92Å; E589-K613 PolarHBondContact OE2-NZ 2.63Å; V609-K613 HydrophobicContact CG1-CD 4.01Å; V609-K613 WeakPolarHBondContact O-CB 3.22Å; V609-K613 WeakPolarHBondContact O-CG 3.38Å; V609-K613 PolarHBondContact O-N 3.26Å; L610-K613 PolarHBondContact O-N 2.57Å; K613-F615 VanDerWaalsContact C-N 3.34Å; K613-F615 PolarHBondContact O-N 3.44Å; K613-S616 PolarHBondContact O-N 3.33Å; K613-S616 PolarHBondContact O-OG 3.11Å; K613-S617 PolarHBondContact O-N 3.23Å; K613-S617 PolarHBondContact O-OG 3.34Å |
| 614 | Q | 85.3 | Confident | 83.4 | Confident | 89 Ų | 89 | 50.8 Ų | 50.8 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 174.5 | -166.4 | -178.5 | -12.4 | 0 | 0 | 112 | L610 S616 S617 Y618 L657 | L610-Q614 PolarHBondContact O-N 3.29Å; Q614-S616 VanDerWaalsContact C-N 3.28Å; Q614-S616 PolarHBondContact O-N 3.37Å; Q614-S617 WeakPolarHBondContact CA-OG 3.18Å; Q614-S617 PolarHBondContact O-N 3.43Å; Q614-S617 PolarHBondContact O-OG 2.73Å; Q614-Y618 HydrophobicContact CG-CE2 4.21Å; Q614-Y618 WeakPolarHBondContact O-CD2 3.19Å; Q614-Y618 VanDerWaalsContact O-CE2 3.23Å; Q614-Y618 WeakPolarHBondContact O-CE2 3.43Å; Q614-L657 HydrophobicContact CB-CD2 3.91Å; Q614-L657 HydrophobicContact CG-CD2 3.58Å |
| 615 | F | 86.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.5 | -40.8 | 171.4 | 177.3 | -94.2 | 0 | 0 | 0 | 112.9 | F585 K611 M612 K613 S617 K649 L652 L653 L657 T671 | F585-F615 HydrophobicContact CB-CD1 4.34Å; F585-F615 HydrophobicContact CB-CE1 3.46Å; F585-F615 VanDerWaalsContact CB-CE1 3.46Å; F585-F615 HydrophobicContact CB-CZ 3.96Å; F585-F615 HydrophobicContact CD2-CZ 4.42Å; F585-F615 HydrophobicContact CG-CE1 4.2Å; F585-F615 HydrophobicContact CG-CZ 4.19Å; K611-F615 WeakPolarHBondContact O-CB 3.39Å; K611-F615 PolarHBondContact O-N 2.98Å; M612-F615 WeakPolarHBondContact O-CB 3.5Å; K613-F615 VanDerWaalsContact C-N 3.34Å; K613-F615 PolarHBondContact O-N 3.44Å; F615-S617 VanDerWaalsContact C-N 3.33Å; F615-S617 PolarHBondContact O-N 2.89Å; F615-K649 HydrophobicContact CE2-CB 4.46Å; F615-K649 HydrophobicContact CE2-CG 4.37Å; F615-K649 HydrophobicContact CZ-CB 4.36Å; F615-K649 HydrophobicContact CZ-CD 4.01Å; F615-K649 HydrophobicContact CZ-CG 3.89Å; F615-L652 HydrophobicContact CD2-CD2 3.68Å; F615-L652 HydrophobicContact CD2-CG 4.21Å; F615-L652 HydrophobicContact CE2-CB 4.46Å; F615-L652 HydrophobicContact CE2-CD2 3.8Å; F615-L652 HydrophobicContact CE2-CG 4.46Å; F615-L653 HydrophobicContact CB-CD2 3.99Å; F615-L653 HydrophobicContact CD2-CD1 4.39Å; F615-L653 HydrophobicContact CD2-CD2 3.45Å; F615-L653 VanDerWaalsContact CD2-CD2 3.45Å; F615-L653 HydrophobicContact CD2-CG 3.65Å; F615-L653 HydrophobicContact CE2-CD1 4.22Å; F615-L653 HydrophobicContact CE2-CD2 4.1Å; F615-L653 HydrophobicContact CE2-CG 3.82Å; F615-L653 HydrophobicContact CG-CD2 3.78Å; F615-L653 HydrophobicContact CG-CG 4.41Å; F615-L657 HydrophobicContact CB-CD1 3.59Å; F615-L657 HydrophobicContact CD2-CD1 4.02Å; F615-L657 HydrophobicContact CG-CD1 4.32Å; F615-T671 HydrophobicContact CD1-CG2 3.74Å; F615-T671 HydrophobicContact CE1-CG2 3.27Å; F615-T671 HydrophobicContact CZ-CG2 3.78Å |
| 616 | S | 83.9 | Confident | 80.3 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.6 | -22.5 | -177.5 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | F585 M612 K613 Q614 | F585-S616 WeakPolarHBondContact O-CA 3.41Å; F585-S616 WeakPolarHBondContact O-CB 3.32Å; M612-S616 PolarHBondContact O-N 3.35Å; K613-S616 PolarHBondContact O-N 3.33Å; K613-S616 PolarHBondContact O-OG 3.11Å; Q614-S616 VanDerWaalsContact C-N 3.28Å; Q614-S616 PolarHBondContact O-N 3.37Å |
| 617 | S | 80.6 | Confident | 78.4 | Confident | 74 Ų | 74 | 65 Ų | 65 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10.3 | 177.3 | 37.7 | 0 | 0 | 0 | 0 | 115.1 | K613 Q614 F615 F619 | K613-S617 PolarHBondContact O-N 3.23Å; K613-S617 PolarHBondContact O-OG 3.34Å; Q614-S617 WeakPolarHBondContact CA-OG 3.18Å; Q614-S617 PolarHBondContact O-N 3.43Å; Q614-S617 PolarHBondContact O-OG 2.73Å; F615-S617 VanDerWaalsContact C-N 3.33Å; F615-S617 PolarHBondContact O-N 2.89Å; S617-F619 PolarHBondContact O-N 3.3Å |
| 618 | Y | 81.9 | Confident | 76.9 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 11% | 0.106 | 36% | 0.357 | C | S | . | . | trans | -72.9 | 128.2 | 178.6 | -73 | -80.8 | 0 | 0 | 0 | 112.8 | Q614 P635 E636 L652 L657 | Q614-Y618 HydrophobicContact CG-CE2 4.21Å; Q614-Y618 WeakPolarHBondContact O-CD2 3.19Å; Q614-Y618 VanDerWaalsContact O-CE2 3.23Å; Q614-Y618 WeakPolarHBondContact O-CE2 3.43Å; Y618-P635 HydrophobicContact CD1-CB 4.45Å; Y618-P635 HydrophobicContact CD1-CG 3.54Å; Y618-P635 HydrophobicContact CE1-CG 4.23Å; Y618-P635 HydrophobicContact CG-CG 4.3Å; Y618-E636 HydrophobicContact CE1-CG 3.69Å; Y618-E636 WeakPolarHBondContact CE1-OE1 3.14Å; Y618-E636 VanDerWaalsContact CZ-OE1 3.22Å; Y618-E636 PolarHBondContact OH-OE1 3.26Å; Y618-L652 HydrophobicContact CD1-CD1 4.45Å; Y618-L652 HydrophobicContact CD2-CD1 4.27Å; Y618-L652 HydrophobicContact CD2-CD2 3.66Å; Y618-L652 HydrophobicContact CD2-CG 4.35Å; Y618-L652 HydrophobicContact CE1-CD1 4.3Å; Y618-L652 HydrophobicContact CE2-CD1 4.11Å; Y618-L652 HydrophobicContact CE2-CD2 4.2Å; Y618-L652 HydrophobicContact CE2-CG 4.41Å; Y618-L652 HydrophobicContact CG-CD1 4.42Å; Y618-L652 HydrophobicContact CG-CD2 3.91Å; Y618-L657 HydrophobicContact CE2-CD1 4.14Å; Y618-L657 HydrophobicContact CE2-CD2 4.09Å; Y618-L657 HydrophobicContact CE2-CG 4.41Å | ||
| 619 | F | 79.5 | Confident | 75.7 | Confident | 139 Ų | 139 | 78.2 Ų | 78.2 | 61% | 0.61 | 38% | 0.383 | S | S | * | . | trans | -92.7 | 126.4 | 165.1 | -62.8 | -84.7 | 0 | 0 | 0 | 109.3 | L582 S617 | L582-F619 HydrophobicContact CD2-CB 4.39Å; S617-F619 PolarHBondContact O-N 3.3Å | ||
| 620 | V | 81.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 118.2 | -166.3 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | V583 F585 P632 V633 F648 | V583-V620 PolarHBondContact N-O 3.31Å; V583-V620 WeakPolarHBondContact O-CB 3.16Å; V583-V620 PolarHBondContact O-N 2.85Å; F585-V620 HydrophobicContact CD2-CG2 4.37Å; F585-V620 HydrophobicContact CE2-CB 4.01Å; F585-V620 HydrophobicContact CE2-CG1 4.37Å; F585-V620 HydrophobicContact CE2-CG2 3.8Å; V620-P632 HydrophobicContact CG1-CB 3.63Å; V620-V633 WeakPolarHBondContact CG1-O 3.34Å; V620-F648 HydrophobicContact CB-CE1 4.37Å; V620-F648 HydrophobicContact CB-CZ 4.26Å; V620-F648 HydrophobicContact CG1-CD1 4.3Å; V620-F648 HydrophobicContact CG1-CE1 3.76Å; V620-F648 HydrophobicContact CG1-CE2 4.19Å; V620-F648 HydrophobicContact CG1-CZ 3.69Å; V620-F648 HydrophobicContact CG2-CE1 3.85Å; V620-F648 HydrophobicContact CG2-CE2 4.48Å; V620-F648 HydrophobicContact CG2-CZ 3.5Å |
| 621 | Q | 80.2 | Confident | 74.5 | Confident | 106 Ų | 106 | 78 Ų | 78 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.2 | -177.6 | -166.7 | -175 | 26.3 | 0 | 0 | 111.1 | L582 P632 V633 | L582-Q621 HydrophobicContact CD2-CB 4.1Å; Q621-P632 CarbonylContact O-C 3.43Å; Q621-P632 VanDerWaalsContact O-CA 3.29Å; Q621-P632 WeakPolarHBondContact O-CA 3.46Å; Q621-V633 HydrophobicContact CB-CB 4.47Å; Q621-V633 HydrophobicContact CB-CG2 4.38Å; Q621-V633 PolarHBondContact O-N 3.29Å |
| 622 | I | 80.2 | Confident | 74.2 | Confident | 24 Ų | 24 | 76 Ų | 76 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 109.8 | 175 | -54.6 | -56 | 0 | 0 | 0 | 109.5 | G581 V583 G624 R630 I631 P632 L645 | G581-I622 WeakPolarHBondContact O-CB 3.5Å; G581-I622 WeakPolarHBondContact O-CG1 3.41Å; G581-I622 PolarHBondContact O-N 3.27Å; V583-I622 HydrophobicContact CB-CG1 4.39Å; V583-I622 HydrophobicContact CG2-CD1 4.36Å; V583-I622 HydrophobicContact CG2-CG1 3.71Å; I622-G624 PolarHBondContact O-N 3.35Å; I622-R630 HydrophobicContact CD1-CB 4.39Å; I622-R630 HydrophobicContact CG2-CB 3.76Å; I622-R630 HydrophobicContact CG2-CG 4.17Å; I622-I631 CarbonylContact C-O 3.56Å; I622-I631 VanDerWaalsContact CA-O 3.3Å; I622-I631 WeakPolarHBondContact CA-O 3.36Å; I622-P632 HydrophobicContact CD1-CB 3.79Å; I622-L645 HydrophobicContact CD1-CD2 4.21Å |
| 623 | L | 73.3 | Confident | 74 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 53% | 0.534 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -16.8 | -176.7 | -62.5 | 179.8 | 0 | 0 | 0 | 114.3 | I631 V633 V640 | L623-I631 PolarHBondContact N-O 3.45Å; L623-V633 HydrophobicContact CD1-CG2 3.71Å; L623-V633 HydrophobicContact CD2-CG2 3.73Å; L623-V633 HydrophobicContact CG-CG2 3.49Å; L623-V633 VanDerWaalsContact CG-CG2 3.49Å; L623-V640 HydrophobicContact CD1-CG1 3.98Å; L623-V640 HydrophobicContact CD1-CG2 4Å |
| 624 | G | 66.2 | Low | 74.1 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.6 | -160.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I622 I631 | I622-G624 PolarHBondContact O-N 3.35Å; G624-I631 PolarHBondContact O-N 2.92Å |
| 625 | K | 60.1 | Low | 74 | Confident | 168 Ų | 168 | 71.2 Ų | 71.2 | 73% | 0.73 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 68.4 | 179.7 | -72.3 | -179.9 | 179.8 | 169.5 | 0 | 112.1 | R629 | K625-R629 WeakPolarHBondContact CA-O 3.32Å |
| 626 | E | 47.7 | Very low | 73.9 | Confident | 111 Ų | 111 | 75.5 Ų | 75.5 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.7 | 171.2 | -152.6 | -160.7 | 140.5 | 0 | 0 | 110.1 | H628 R629 I631 | E626-H628 PolarHBondContact O-N 3.36Å; E626-R629 PolarHBondContact N-O 2.95Å; E626-R629 PolarHBondContact O-N 3.4Å; E626-I631 HydrophobicContact CB-CD1 3.66Å; E626-I631 HydrophobicContact CB-CG1 4.47Å |
| 627 | N | 47 | Very low | 74.1 | Confident | 131 Ų | 131 | 76.1 Ų | 76.1 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 37.2 | 178.1 | -63.7 | -60.6 | 0 | 0 | 0 | 114.1 | R629 | N627-R629 PolarHBondContact O-N 3.01Å; N627-R629 VanDerWaalsContact O-N 3.16Å |
| 628 | H | 54.9 | Low | 74.2 | Confident | 192 Ų | 192 | 80.2 Ų | 80.2 | 89% | 0.889 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 8 | -173.4 | -57.1 | -27.9 | 0 | 0 | 0 | 116.5 | E626 | E626-H628 PolarHBondContact O-N 3.36Š|
| 629 | R | 63.9 | Low | 74.4 | Confident | 148 Ų | 148 | 84.7 Ų | 84.7 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.4 | 175.3 | -62.6 | -175.1 | 179.4 | -136.1 | -4.7 | 110.6 | K625 E626 N627 Y643 | K625-R629 WeakPolarHBondContact CA-O 3.32Å; E626-R629 PolarHBondContact N-O 2.95Å; E626-R629 PolarHBondContact O-N 3.4Å; N627-R629 PolarHBondContact O-N 3.01Å; N627-R629 VanDerWaalsContact O-N 3.16Å; R629-Y643 PolarHBondContact NH1-O 3.01Å |
| 630 | R | 71.3 | Confident | 74.5 | Confident | 107 Ų | 107 | 81.4 Ų | 81.4 | 40% | 0.404 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 127.1 | 166.1 | -63.9 | -168.5 | -164.1 | -142 | 14.2 | 108.3 | I622 P632 L645 E677 | I622-R630 HydrophobicContact CD1-CB 4.39Å; I622-R630 HydrophobicContact CG2-CB 3.76Å; I622-R630 HydrophobicContact CG2-CG 4.17Å; R630-P632 VanDerWaalsContact O-CD 3.31Å; R630-P632 WeakPolarHBondContact O-CD 3.49Å; R630-L645 HydrophobicContact CB-CD1 4.05Å; R630-L645 HydrophobicContact CB-CG 4.49Å; R630-E677 IonicContact NH2-OE1 3.68Å |
| 631 | I | 79 | Confident | 74.6 | Confident | 16 Ų | 16 | 82.6 Ų | 82.6 | 8% | 0.082 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 107.2 | 175.5 | -60.4 | 179.9 | 0 | 0 | 0 | 108.9 | I622 L623 G624 E626 V640 | I622-I631 CarbonylContact C-O 3.56Å; I622-I631 VanDerWaalsContact CA-O 3.3Å; I622-I631 WeakPolarHBondContact CA-O 3.36Å; L623-I631 PolarHBondContact N-O 3.45Å; G624-I631 PolarHBondContact O-N 2.92Å; E626-I631 HydrophobicContact CB-CD1 3.66Å; E626-I631 HydrophobicContact CB-CG1 4.47Å; I631-V640 HydrophobicContact CG2-CG1 3.37Å |
| 632 | P | 82.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 152.6 | 173.3 | 34.6 | -34.6 | 0 | 0 | 0 | 112.7 | V620 Q621 I622 R630 F641 L645 F648 | V620-P632 HydrophobicContact CG1-CB 3.63Å; Q621-P632 CarbonylContact O-C 3.43Å; Q621-P632 VanDerWaalsContact O-CA 3.29Å; Q621-P632 WeakPolarHBondContact O-CA 3.46Å; I622-P632 HydrophobicContact CD1-CB 3.79Å; R630-P632 VanDerWaalsContact O-CD 3.31Å; R630-P632 WeakPolarHBondContact O-CD 3.49Å; P632-F641 HydrophobicContact CG-CB 4.07Å; P632-F641 PolarHBondContact O-N 3.34Å; P632-L645 HydrophobicContact CB-CD2 4.18Å; P632-L645 HydrophobicContact CG-CD2 4.02Å; P632-L645 HydrophobicContact CG-CG 4.43Å; P632-F648 HydrophobicContact CB-CB 4.33Å; P632-F648 HydrophobicContact CB-CD1 4.24Å; P632-F648 HydrophobicContact CB-CG 4.06Å; P632-F648 HydrophobicContact CG-CB 3.51Å; P632-F648 HydrophobicContact CG-CD1 4.16Å; P632-F648 HydrophobicContact CG-CG 3.78Å |
| 633 | V | 83.6 | Confident | 73.6 | Confident | 17 Ų | 17 | 87.7 Ų | 87.7 | 10% | 0.103 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -102.3 | 139.3 | 166.7 | -169 | 0 | 0 | 0 | 0 | 108.8 | V620 Q621 L623 E638 | V620-V633 WeakPolarHBondContact CG1-O 3.34Å; Q621-V633 HydrophobicContact CB-CB 4.47Å; Q621-V633 HydrophobicContact CB-CG2 4.38Å; Q621-V633 PolarHBondContact O-N 3.29Å; L623-V633 HydrophobicContact CD1-CG2 3.71Å; L623-V633 HydrophobicContact CD2-CG2 3.73Å; L623-V633 HydrophobicContact CG-CG2 3.49Å; L623-V633 VanDerWaalsContact CG-CG2 3.49Å; V633-E638 WeakPolarHBondContact CG1-O 3.31Å |
| 634 | C | 87.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 123.8 | 171.6 | -170 | 0 | 0 | 0 | 0 | 111.1 | E636 C637 E638 K639 F641 F648 H651 H656 | C634-E636 PolarHBondContact O-N 3.08Å; C634-C637 PolarHBondContact O-N 3.15Å; C634-E638 VanDerWaalsContact O-CA 3.23Å; C634-E638 WeakPolarHBondContact O-CA 3.32Å; C634-E638 PolarHBondContact O-N 3.32Å; C634-K639 HydrophobicContact CB-CB 4.38Å; C634-K639 PolarHBondContact N-O 2.93Å; C634-F641 HydrophobicContact CB-CE2 4.13Å; C634-F648 HydrophobicContact CB-CD2 4.28Å; C634-F648 HydrophobicContact CB-CE2 4.08Å; C634-H651 PolarHBondContact SG-NE2 2.91Å; C634-H651 VanDerWaalsContact SG-NE2 3.4Å; C634-H656 PolarHBondContact SG-NE2 2.8Å |
| 635 | P | 83 | Confident | 74 | Confident | 62 Ų | 62 | 83.1 Ų | 83.1 | 40% | 0.403 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.7 | -179.4 | 26.9 | -34.4 | 0 | 0 | 0 | 113.7 | Y618 | Y618-P635 HydrophobicContact CD1-CB 4.45Å; Y618-P635 HydrophobicContact CD1-CG 3.54Å; Y618-P635 HydrophobicContact CE1-CG 4.23Å; Y618-P635 HydrophobicContact CG-CG 4.3Å |
| 636 | E | 83.9 | Confident | 75 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 43% | 0.425 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -12.2 | -176.8 | -66.1 | -78 | -165.5 | 0 | 0 | 114.9 | Y618 C634 L652 H656 | Y618-E636 HydrophobicContact CE1-CG 3.69Å; Y618-E636 WeakPolarHBondContact CE1-OE1 3.14Å; Y618-E636 VanDerWaalsContact CZ-OE1 3.22Å; Y618-E636 PolarHBondContact OH-OE1 3.26Å; C634-E636 PolarHBondContact O-N 3.08Å; E636-L652 HydrophobicContact CG-CD1 4.18Å; E636-H656 HydrophobicContact CB-CB 4.31Å; E636-H656 WeakPolarHBondContact CB-ND1 3.23Å; E636-H656 HydrophobicContact CG-CB 4.06Å; E636-H656 PolarHBondContact O-CE1 3.38Å |
| 637 | C | 88.6 | Confident | 76.8 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.3 | 17.4 | -178.5 | 66.2 | 0 | 0 | 0 | 0 | 114.3 | C634 K639 H651 H656 | C634-C637 PolarHBondContact O-N 3.15Å; C637-K639 PolarHBondContact O-N 3.19Å; C637-H651 PolarHBondContact SG-NE2 3.09Å; C637-H656 WeakPolarHBondContact CB-CE1 3.38Å; C637-H656 WeakPolarHBondContact CB-NE2 3.24Å; C637-H656 PolarHBondContact SG-NE2 2.87Å |
| 638 | E | 82.5 | Confident | 78.7 | Confident | 160 Ų | 160 | 68.2 Ų | 68.2 | 75% | 0.748 | 34% | 0.335 | S | S | * | . | trans | 54.7 | 8.7 | 177.4 | -54.2 | -170.9 | 155.2 | 0 | 0 | 116.1 | V633 C634 V640 | V633-E638 WeakPolarHBondContact CG1-O 3.31Å; C634-E638 VanDerWaalsContact O-CA 3.23Å; C634-E638 WeakPolarHBondContact O-CA 3.32Å; C634-E638 PolarHBondContact O-N 3.32Å; E638-V640 PolarHBondContact O-N 3.25Å | ||
| 639 | K | 85.8 | Confident | 80.2 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | trans | -69.5 | 122.9 | -174.1 | -171.1 | 166.2 | -173.8 | 164.5 | 0 | 111.3 | C634 C637 F641 | C634-K639 HydrophobicContact CB-CB 4.38Å; C634-K639 PolarHBondContact N-O 2.93Å; C637-K639 PolarHBondContact O-N 3.19Å; K639-F641 HydrophobicContact CB-CE2 3.91Å; K639-F641 HydrophobicContact CB-CZ 4.37Å; K639-F641 HydrophobicContact CD-CE2 4.33Å; K639-F641 HydrophobicContact CD-CZ 3.97Å; K639-F641 HydrophobicContact CG-CE2 3.83Å; K639-F641 HydrophobicContact CG-CZ 3.94Å; K639-F641 WeakPolarHBondContact O-CD2 3.32Å; K639-F641 WeakPolarHBondContact O-CE2 3.42Å | ||
| 640 | V | 83.2 | Confident | 81.3 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -83.3 | 135.8 | 179.3 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | L623 I631 E638 P642 | L623-V640 HydrophobicContact CD1-CG1 3.98Å; L623-V640 HydrophobicContact CD1-CG2 4Å; I631-V640 HydrophobicContact CG2-CG1 3.37Å; E638-V640 PolarHBondContact O-N 3.25Å; V640-P642 WeakPolarHBondContact O-CD 3.07Å |
| 641 | F | 82.7 | Confident | 82.1 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | trans | -114.4 | 79.3 | -178.5 | -72.3 | -93.1 | 0 | 0 | 0 | 112.7 | P632 C634 K639 Y643 G644 D647 F648 H651 | P632-F641 HydrophobicContact CG-CB 4.07Å; P632-F641 PolarHBondContact O-N 3.34Å; C634-F641 HydrophobicContact CB-CE2 4.13Å; K639-F641 HydrophobicContact CB-CE2 3.91Å; K639-F641 HydrophobicContact CB-CZ 4.37Å; K639-F641 HydrophobicContact CD-CE2 4.33Å; K639-F641 HydrophobicContact CD-CZ 3.97Å; K639-F641 HydrophobicContact CG-CE2 3.83Å; K639-F641 HydrophobicContact CG-CZ 3.94Å; K639-F641 WeakPolarHBondContact O-CD2 3.32Å; K639-F641 WeakPolarHBondContact O-CE2 3.42Å; F641-Y643 VanDerWaalsContact C-N 3.26Å; F641-Y643 PolarHBondContact O-N 2.88Å; F641-G644 PolarHBondContact O-N 3.49Å; F641-D647 HydrophobicContact CD1-CB 3.87Å; F641-D647 HydrophobicContact CE1-CB 4.44Å; F641-F648 HydrophobicContact CB-CB 4Å; F641-F648 HydrophobicContact CD1-CB 4.26Å; F641-F648 HydrophobicContact CD2-CB 3.86Å; F641-F648 HydrophobicContact CD2-CD2 4.06Å; F641-F648 HydrophobicContact CD2-CG 4.45Å; F641-F648 HydrophobicContact CE2-CD2 4.23Å; F641-F648 HydrophobicContact CG-CB 3.75Å; F641-H651 HydrophobicContact CE1-CB 3.82Å; F641-H651 HydrophobicContact CE2-CB 4.44Å; F641-H651 AromaticContact CE2-CD2 3.5Å; F641-H651 HydrophobicContact CZ-CB 3.54Å; F641-H651 AromaticContact CZ-CD2 3.23Å; F641-H651 WeakPolarHBondContact CZ-CD2 3.26Å; F641-H651 AromaticContact CZ-CG 3.41Å; F641-H651 VanDerWaalsContact CZ-CG 3.41Å | ||
| 642 | P | 72.3 | Confident | 82.6 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.8 | -175.7 | 25.4 | -34.9 | 0 | 0 | 0 | 113.8 | V640 G644 | V640-P642 WeakPolarHBondContact O-CD 3.07Å; P642-G644 PolarHBondContact O-N 3.02Å |
| 643 | Y | 67.1 | Low | 82.9 | Confident | 178 Ų | 178 | 53.1 Ų | 53.1 | 70% | 0.698 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.4 | 176.9 | -60 | -71.9 | 0 | 0 | 0 | 113.2 | R629 F641 | R629-Y643 PolarHBondContact NH1-O 3.01Å; F641-Y643 VanDerWaalsContact C-N 3.26Å; F641-Y643 PolarHBondContact O-N 2.88Å |
| 644 | G | 69.7 | Low | 83.2 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | trans | 116.3 | 179.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F641 P642 G646 D647 | F641-G644 PolarHBondContact O-N 3.49Å; P642-G644 PolarHBondContact O-N 3.02Å; G644-G646 PolarHBondContact O-N 3.02Å; G644-D647 PolarHBondContact O-N 3.16Å; G644-D647 VanDerWaalsContact O-N 3.11Å | ||
| 645 | L | 78.1 | Confident | 83.2 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -49.4 | -29.9 | -171.4 | -67.2 | 153.5 | 0 | 0 | 0 | 115.8 | F585 I622 R630 P632 K649 L673 | F585-L645 HydrophobicContact CE1-CD2 4.08Å; F585-L645 HydrophobicContact CZ-CD2 3.72Å; I622-L645 HydrophobicContact CD1-CD2 4.21Å; R630-L645 HydrophobicContact CB-CD1 4.05Å; R630-L645 HydrophobicContact CB-CG 4.49Å; P632-L645 HydrophobicContact CB-CD2 4.18Å; P632-L645 HydrophobicContact CG-CD2 4.02Å; P632-L645 HydrophobicContact CG-CG 4.43Å; L645-K649 WeakPolarHBondContact O-CG 3.34Å; L645-K649 PolarHBondContact O-N 2.95Å; L645-L673 HydrophobicContact CD1-CD1 4.19Å; L645-L673 HydrophobicContact CD1-CD2 4.17Å |
| 646 | G | 81.6 | Confident | 83.5 | Confident | 35 Ų | 35 | 58.4 Ų | 58.4 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G644 R650 | G644-G646 PolarHBondContact O-N 3.02Å; G646-R650 VanDerWaalsContact O-CZ 3.27Å; G646-R650 PolarHBondContact O-N 2.73Å; G646-R650 PolarHBondContact O-NE 3.5Å |
| 647 | D | 84.1 | Confident | 83.6 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -79.9 | -37 | 178 | -66.5 | -54.7 | 0 | 0 | 0 | 111.6 | F641 G644 R650 H651 | F641-D647 HydrophobicContact CD1-CB 3.87Å; F641-D647 HydrophobicContact CE1-CB 4.44Å; G644-D647 PolarHBondContact O-N 3.16Å; G644-D647 VanDerWaalsContact O-N 3.11Å; D647-R650 PolarHBondContact O-N 2.9Å; D647-R650 IonicContact OD1-CZ 3.92Å; D647-R650 IonicContact OD1-NE 2.98Å; D647-R650 PolarHBondContact OD1-NE 2.92Å; D647-R650 IonicContact OD1-NH2 3.31Å; D647-R650 PolarHBondContact OD1-NH2 3.42Å; D647-R650 IonicContact OD2-NH2 3.29Å; D647-H651 WeakPolarHBondContact O-CB 3.5Å; D647-H651 PolarHBondContact O-N 3.08Å |
| 648 | F | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.3 | -50.7 | 170.4 | 162.7 | -102.7 | 0 | 0 | 0 | 112 | F585 V620 P632 C634 F641 R650 H651 L652 | F585-F648 HydrophobicContact CD2-CE1 4.38Å; F585-F648 HydrophobicContact CE2-CD1 4.37Å; F585-F648 AromaticContact CE2-CE1 3.64Å; F585-F648 HydrophobicContact CE2-CE1 3.64Å; F585-F648 HydrophobicContact CZ-CD1 4.35Å; F585-F648 HydrophobicContact CZ-CE1 4.06Å; V620-F648 HydrophobicContact CB-CE1 4.37Å; V620-F648 HydrophobicContact CB-CZ 4.26Å; V620-F648 HydrophobicContact CG1-CD1 4.3Å; V620-F648 HydrophobicContact CG1-CE1 3.76Å; V620-F648 HydrophobicContact CG1-CE2 4.19Å; V620-F648 HydrophobicContact CG1-CZ 3.69Å; V620-F648 HydrophobicContact CG2-CE1 3.85Å; V620-F648 HydrophobicContact CG2-CE2 4.48Å; V620-F648 HydrophobicContact CG2-CZ 3.5Å; P632-F648 HydrophobicContact CB-CB 4.33Å; P632-F648 HydrophobicContact CB-CD1 4.24Å; P632-F648 HydrophobicContact CB-CG 4.06Å; P632-F648 HydrophobicContact CG-CB 3.51Å; P632-F648 HydrophobicContact CG-CD1 4.16Å; P632-F648 HydrophobicContact CG-CG 3.78Å; C634-F648 HydrophobicContact CB-CD2 4.28Å; C634-F648 HydrophobicContact CB-CE2 4.08Å; F641-F648 HydrophobicContact CB-CB 4Å; F641-F648 HydrophobicContact CD1-CB 4.26Å; F641-F648 HydrophobicContact CD2-CB 3.86Å; F641-F648 HydrophobicContact CD2-CD2 4.06Å; F641-F648 HydrophobicContact CD2-CG 4.45Å; F641-F648 HydrophobicContact CE2-CD2 4.23Å; F641-F648 HydrophobicContact CG-CB 3.75Å; F648-R650 VanDerWaalsContact C-N 3.31Å; F648-R650 PolarHBondContact O-N 3.19Å; F648-H651 WeakPolarHBondContact O-CB 3.48Å; F648-H651 PolarHBondContact O-N 2.95Å; F648-H651 VanDerWaalsContact O-N 3.11Å; F648-L652 HydrophobicContact CE1-CD2 4.45Å; F648-L652 HydrophobicContact CE2-CB 4.13Å; F648-L652 HydrophobicContact CE2-CD2 4.41Å; F648-L652 HydrophobicContact CZ-CB 4.14Å; F648-L652 HydrophobicContact CZ-CD2 3.75Å; F648-L652 HydrophobicContact CZ-CG 4.46Å; F648-L652 PolarHBondContact O-N 3.09Å |
| 649 | K | 86.6 | Confident | 83.7 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 178.6 | -74 | -165 | 167.8 | -173.9 | 0 | 112.4 | F615 L645 L653 L668 T671 | F615-K649 HydrophobicContact CE2-CB 4.46Å; F615-K649 HydrophobicContact CE2-CG 4.37Å; F615-K649 HydrophobicContact CZ-CB 4.36Å; F615-K649 HydrophobicContact CZ-CD 4.01Å; F615-K649 HydrophobicContact CZ-CG 3.89Å; L645-K649 WeakPolarHBondContact O-CG 3.34Å; L645-K649 PolarHBondContact O-N 2.95Å; K649-L653 WeakPolarHBondContact O-CB 3.29Å; K649-L653 WeakPolarHBondContact O-CD1 3.49Å; K649-L653 WeakPolarHBondContact O-CG 3.48Å; K649-L653 PolarHBondContact O-N 2.99Å; K649-L653 VanDerWaalsContact O-N 3.12Å; K649-L668 HydrophobicContact CB-CD2 3.6Å; K649-L668 HydrophobicContact CD-CD2 4.01Å; K649-L668 HydrophobicContact CG-CD2 4.48Å; K649-T671 VanDerWaalsContact NZ-CB 3.27Å; K649-T671 PolarHBondContact NZ-O 3.37Å; K649-T671 PolarHBondContact NZ-OG1 3.39Å |
| 650 | R | 87.5 | Confident | 83.6 | Confident | 109 Ų | 109 | 48 Ų | 48 | 41% | 0.411 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 174.4 | -82.9 | -176.3 | -80.7 | -86.9 | 7.2 | 111.3 | G646 D647 F648 T654 L664 L668 | G646-R650 VanDerWaalsContact O-CZ 3.27Å; G646-R650 PolarHBondContact O-N 2.73Å; G646-R650 PolarHBondContact O-NE 3.5Å; D647-R650 PolarHBondContact O-N 2.9Å; D647-R650 IonicContact OD1-CZ 3.92Å; D647-R650 IonicContact OD1-NE 2.98Å; D647-R650 PolarHBondContact OD1-NE 2.92Å; D647-R650 IonicContact OD1-NH2 3.31Å; D647-R650 PolarHBondContact OD1-NH2 3.42Å; D647-R650 IonicContact OD2-NH2 3.29Å; F648-R650 VanDerWaalsContact C-N 3.31Å; F648-R650 PolarHBondContact O-N 3.19Å; R650-T654 WeakPolarHBondContact O-CB 3.3Å; R650-T654 WeakPolarHBondContact O-CG2 3.35Å; R650-T654 PolarHBondContact O-N 3.42Å; R650-T654 PolarHBondContact O-OG1 2.98Å; R650-L664 HydrophobicContact CG-CD2 4.28Å; R650-L668 HydrophobicContact CG-CD1 3.8Å |
| 651 | H | 89.2 | Confident | 83.5 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.106 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62 | -51.3 | -179.6 | 164.4 | 60.2 | 0 | 0 | 0 | 112.3 | C634 C637 F641 D647 F648 L653 T654 V655 H656 | C634-H651 PolarHBondContact SG-NE2 2.91Å; C634-H651 VanDerWaalsContact SG-NE2 3.4Å; C637-H651 PolarHBondContact SG-NE2 3.09Å; F641-H651 HydrophobicContact CE1-CB 3.82Å; F641-H651 HydrophobicContact CE2-CB 4.44Å; F641-H651 AromaticContact CE2-CD2 3.5Å; F641-H651 HydrophobicContact CZ-CB 3.54Å; F641-H651 AromaticContact CZ-CD2 3.23Å; F641-H651 WeakPolarHBondContact CZ-CD2 3.26Å; F641-H651 AromaticContact CZ-CG 3.41Å; F641-H651 VanDerWaalsContact CZ-CG 3.41Å; D647-H651 WeakPolarHBondContact O-CB 3.5Å; D647-H651 PolarHBondContact O-N 3.08Å; F648-H651 WeakPolarHBondContact O-CB 3.48Å; F648-H651 PolarHBondContact O-N 2.95Å; F648-H651 VanDerWaalsContact O-N 3.11Å; H651-L653 VanDerWaalsContact C-N 3.35Å; H651-L653 PolarHBondContact O-N 3.28Å; H651-T654 PolarHBondContact O-N 3.08Å; H651-V655 VanDerWaalsContact ND1-CG2 3.34Å; H651-V655 WeakPolarHBondContact ND1-CG2 3.41Å; H651-V655 WeakPolarHBondContact O-CB 3.27Å; H651-V655 PolarHBondContact O-N 3.19Å; H651-H656 AromaticContact CD2-NE2 3.63Å; H651-H656 AromaticContact CE1-CD2 3.76Å; H651-H656 AromaticContact CE1-NE2 2.71Å; H651-H656 PolarHBondContact CE1-NE2 3.4Å; H651-H656 AromaticContact ND1-NE2 3.91Å; H651-H656 AromaticContact NE2-CD2 3.65Å; H651-H656 AromaticContact NE2-NE2 2.44Å; H651-H656 PolarHBondContact NE2-NE2 3.46Å |
| 652 | L | 88.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -58.1 | -47.1 | 179.4 | -174.7 | 68.4 | 0 | 0 | 0 | 111.3 | F615 Y618 E636 F648 T654 H656 L657 | F615-L652 HydrophobicContact CD2-CD2 3.68Å; F615-L652 HydrophobicContact CD2-CG 4.21Å; F615-L652 HydrophobicContact CE2-CB 4.46Å; F615-L652 HydrophobicContact CE2-CD2 3.8Å; F615-L652 HydrophobicContact CE2-CG 4.46Å; Y618-L652 HydrophobicContact CD1-CD1 4.45Å; Y618-L652 HydrophobicContact CD2-CD1 4.27Å; Y618-L652 HydrophobicContact CD2-CD2 3.66Å; Y618-L652 HydrophobicContact CD2-CG 4.35Å; Y618-L652 HydrophobicContact CE1-CD1 4.3Å; Y618-L652 HydrophobicContact CE2-CD1 4.11Å; Y618-L652 HydrophobicContact CE2-CD2 4.2Å; Y618-L652 HydrophobicContact CE2-CG 4.41Å; Y618-L652 HydrophobicContact CG-CD1 4.42Å; Y618-L652 HydrophobicContact CG-CD2 3.91Å; E636-L652 HydrophobicContact CG-CD1 4.18Å; F648-L652 HydrophobicContact CE1-CD2 4.45Å; F648-L652 HydrophobicContact CE2-CB 4.13Å; F648-L652 HydrophobicContact CE2-CD2 4.41Å; F648-L652 HydrophobicContact CZ-CB 4.14Å; F648-L652 HydrophobicContact CZ-CD2 3.75Å; F648-L652 HydrophobicContact CZ-CG 4.46Å; F648-L652 PolarHBondContact O-N 3.09Å; L652-T654 PolarHBondContact O-N 2.85Å; L652-H656 HydrophobicContact CD1-CB 4.12Å; L652-H656 PolarHBondContact O-N 3.02Å; L652-L657 HydrophobicContact CG-CD1 4.21Å; L652-L657 PolarHBondContact O-N 3.47Å; L652-L657 VanDerWaalsContact O-N 3.12Å |
| 653 | L | 89.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -63.5 | -39.5 | 178 | -71 | 167.7 | 0 | 0 | 0 | 113.2 | M612 F615 K649 H651 L657 E658 V659 L664 C667 L668 T671 | M612-L653 HydrophobicContact SD-CD2 3.94Å; F615-L653 HydrophobicContact CB-CD2 3.99Å; F615-L653 HydrophobicContact CD2-CD1 4.39Å; F615-L653 HydrophobicContact CD2-CD2 3.45Å; F615-L653 VanDerWaalsContact CD2-CD2 3.45Å; F615-L653 HydrophobicContact CD2-CG 3.65Å; F615-L653 HydrophobicContact CE2-CD1 4.22Å; F615-L653 HydrophobicContact CE2-CD2 4.1Å; F615-L653 HydrophobicContact CE2-CG 3.82Å; F615-L653 HydrophobicContact CG-CD2 3.78Å; F615-L653 HydrophobicContact CG-CG 4.41Å; K649-L653 WeakPolarHBondContact O-CB 3.29Å; K649-L653 WeakPolarHBondContact O-CD1 3.49Å; K649-L653 WeakPolarHBondContact O-CG 3.48Å; K649-L653 PolarHBondContact O-N 2.99Å; K649-L653 VanDerWaalsContact O-N 3.12Å; H651-L653 VanDerWaalsContact C-N 3.35Å; H651-L653 PolarHBondContact O-N 3.28Å; L653-L657 HydrophobicContact CD2-CD1 4.18Å; L653-L657 CarbonylContact O-C 3.43Å; L653-E658 PolarHBondContact O-N 2.95Å; L653-V659 HydrophobicContact CB-CB 4.3Å; L653-V659 HydrophobicContact CB-CG2 4.24Å; L653-V659 HydrophobicContact CD2-CG2 3.98Å; L653-V659 VanDerWaalsContact O-CB 3.27Å; L653-V659 WeakPolarHBondContact O-CB 3.2Å; L653-V659 WeakPolarHBondContact O-CG2 3.28Å; L653-V659 PolarHBondContact O-N 3.43Å; L653-L664 HydrophobicContact CB-CD1 3.54Å; L653-L664 HydrophobicContact CD1-CD1 3.88Å; L653-L664 HydrophobicContact CG-CD1 4.36Å; L653-C667 HydrophobicContact CD1-CB 4.46Å; L653-L668 HydrophobicContact CD1-CD2 3.66Å; L653-L668 HydrophobicContact CD1-CG 3.91Å; L653-T671 HydrophobicContact CD1-CG2 4.41Å |
| 654 | T | 88.9 | Confident | 85 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 29% | 0.288 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -92.6 | -25.1 | -173.9 | 52.7 | 0 | 0 | 0 | 0 | 115.9 | R650 H651 L652 L664 | R650-T654 WeakPolarHBondContact O-CB 3.3Å; R650-T654 WeakPolarHBondContact O-CG2 3.35Å; R650-T654 PolarHBondContact O-N 3.42Å; R650-T654 PolarHBondContact O-OG1 2.98Å; H651-T654 PolarHBondContact O-N 3.08Å; L652-T654 PolarHBondContact O-N 2.85Å; T654-L664 HydrophobicContact CG2-CD1 3.73Å; T654-L664 HydrophobicContact CG2-CD2 3.45Å; T654-L664 VanDerWaalsContact CG2-CD2 3.45Å; T654-L664 HydrophobicContact CG2-CG 4.13Å |
| 655 | V | 88 | Confident | 85.7 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -104.6 | -37.9 | -172.9 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | H651 | H651-V655 VanDerWaalsContact ND1-CG2 3.34Å; H651-V655 WeakPolarHBondContact ND1-CG2 3.41Å; H651-V655 WeakPolarHBondContact O-CB 3.27Å; H651-V655 PolarHBondContact O-N 3.19Å |
| 656 | H | 89.1 | Confident | 85.9 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -106.7 | -24.1 | -175.5 | -59.9 | -65.5 | 0 | 0 | 0 | 113.1 | C634 E636 C637 H651 L652 | C634-H656 PolarHBondContact SG-NE2 2.8Å; E636-H656 HydrophobicContact CB-CB 4.31Å; E636-H656 WeakPolarHBondContact CB-ND1 3.23Å; E636-H656 HydrophobicContact CG-CB 4.06Å; E636-H656 PolarHBondContact O-CE1 3.38Å; C637-H656 WeakPolarHBondContact CB-CE1 3.38Å; C637-H656 WeakPolarHBondContact CB-NE2 3.24Å; C637-H656 PolarHBondContact SG-NE2 2.87Å; H651-H656 AromaticContact CD2-NE2 3.63Å; H651-H656 AromaticContact CE1-CD2 3.76Å; H651-H656 AromaticContact CE1-NE2 2.71Å; H651-H656 PolarHBondContact CE1-NE2 3.4Å; H651-H656 AromaticContact ND1-NE2 3.91Å; H651-H656 AromaticContact NE2-CD2 3.65Å; H651-H656 AromaticContact NE2-NE2 2.44Å; H651-H656 PolarHBondContact NE2-NE2 3.46Å; L652-H656 HydrophobicContact CD1-CB 4.12Å; L652-H656 PolarHBondContact O-N 3.02Å |
| 657 | L | 85.7 | Confident | 86 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -111.6 | 1.8 | 177.8 | -60.4 | 172.2 | 0 | 0 | 0 | 113.4 | K611 Q614 F615 Y618 L652 L653 V659 | K611-L657 WeakPolarHBondContact CD-O 3.4Å; K611-L657 WeakPolarHBondContact CE-O 3.24Å; K611-L657 PolarHBondContact NZ-O 3.25Å; Q614-L657 HydrophobicContact CB-CD2 3.91Å; Q614-L657 HydrophobicContact CG-CD2 3.58Å; F615-L657 HydrophobicContact CB-CD1 3.59Å; F615-L657 HydrophobicContact CD2-CD1 4.02Å; F615-L657 HydrophobicContact CG-CD1 4.32Å; Y618-L657 HydrophobicContact CE2-CD1 4.14Å; Y618-L657 HydrophobicContact CE2-CD2 4.09Å; Y618-L657 HydrophobicContact CE2-CG 4.41Å; L652-L657 HydrophobicContact CG-CD1 4.21Å; L652-L657 PolarHBondContact O-N 3.47Å; L652-L657 VanDerWaalsContact O-N 3.12Å; L653-L657 HydrophobicContact CD2-CD1 4.18Å; L653-L657 CarbonylContact O-C 3.43Å; L657-V659 HydrophobicContact CB-CG2 4.32Å; L657-V659 PolarHBondContact O-N 3.35Å |
| 658 | E | 87.2 | Confident | 86 | Confident | 145 Ų | 145 | 56.5 Ų | 56.5 | 68% | 0.678 | 26% | 0.263 | S | S | * | . | trans | 46.4 | 39.4 | 174.5 | -54.2 | -174.4 | 145.7 | 0 | 0 | 114.2 | K611 L653 P660 | K611-E658 PolarHBondContact NZ-O 2.91Å; L653-E658 PolarHBondContact O-N 2.95Å; E658-P660 WeakPolarHBondContact O-CD 3.28Å | ||
| 659 | V | 85.9 | Confident | 85.8 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | trans | -71.3 | 124.2 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 108.6 | L608 K611 L653 L657 R661 C667 | L608-V659 HydrophobicContact CD2-CG1 3.97Å; K611-V659 HydrophobicContact CB-CG2 4.02Å; K611-V659 HydrophobicContact CD-CG2 4.19Å; L653-V659 HydrophobicContact CB-CB 4.3Å; L653-V659 HydrophobicContact CB-CG2 4.24Å; L653-V659 HydrophobicContact CD2-CG2 3.98Å; L653-V659 VanDerWaalsContact O-CB 3.27Å; L653-V659 WeakPolarHBondContact O-CB 3.2Å; L653-V659 WeakPolarHBondContact O-CG2 3.28Å; L653-V659 PolarHBondContact O-N 3.43Å; L657-V659 HydrophobicContact CB-CG2 4.32Å; L657-V659 PolarHBondContact O-N 3.35Å; V659-R661 PolarHBondContact O-N 3.07Å; V659-C667 HydrophobicContact CG1-CB 4.46Å | ||
| 660 | P | 84.8 | Confident | 85.6 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | trans | -53.4 | 136.3 | 178.2 | -28.2 | 36 | 0 | 0 | 0 | 112.1 | E658 E662 H663 L664 | E658-P660 WeakPolarHBondContact O-CD 3.28Å; P660-E662 HydrophobicContact CB-CG 3.95Å; P660-E662 VanDerWaalsContact CB-OE1 3.29Å; P660-E662 WeakPolarHBondContact CB-OE1 3.42Å; P660-E662 PolarHBondContact O-N 2.89Å; P660-E662 VanDerWaalsContact O-N 3.12Å; P660-H663 PolarHBondContact O-N 2.79Å; P660-L664 PolarHBondContact O-N 3.14Å | ||
| 661 | R | 81.4 | Confident | 84.9 | Confident | 222 Ų | 222 | 56.4 Ų | 56.4 | 84% | 0.838 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.5 | -172.5 | -70.3 | -173.7 | 178 | -172.9 | 2.3 | 113.4 | V659 L664 | V659-R661 PolarHBondContact O-N 3.07Å; R661-L664 WeakPolarHBondContact O-CB 3.46Å |
| 662 | E | 82.9 | Confident | 83.6 | Confident | 141 Ų | 141 | 59.1 Ų | 59.1 | 66% | 0.659 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -46.5 | 173.8 | 61.8 | -143.3 | 156.9 | 0 | 0 | 112.4 | P660 | P660-E662 HydrophobicContact CB-CG 3.95Å; P660-E662 VanDerWaalsContact CB-OE1 3.29Å; P660-E662 WeakPolarHBondContact CB-OE1 3.42Å; P660-E662 PolarHBondContact O-N 2.89Å; P660-E662 VanDerWaalsContact O-N 3.12Å |
| 663 | H | 84.8 | Confident | 82.1 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.3 | -179.6 | -54.4 | -41.8 | 0 | 0 | 0 | 113.9 | L600 V604 L608 P660 K665 D666 C667 | L600-H663 WeakPolarHBondContact CD2-CE1 3.5Å; V604-H663 WeakPolarHBondContact CG1-NE2 3.38Å; L608-H663 HydrophobicContact CD1-CB 3.72Å; L608-H663 HydrophobicContact CD2-CB 3.82Å; L608-H663 HydrophobicContact CG-CB 4.45Å; P660-H663 PolarHBondContact O-N 2.79Å; H663-K665 PolarHBondContact O-N 2.76Å; H663-K665 VanDerWaalsContact O-N 3.13Å; H663-D666 PolarHBondContact O-N 2.9Å; H663-C667 PolarHBondContact O-N 3.44Å |
| 664 | L | 84.9 | Confident | 80.1 | Confident | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -51.4 | -39 | -179.2 | -178.9 | 66.1 | 0 | 0 | 0 | 113.2 | R650 L653 T654 P660 R661 D666 L668 | R650-L664 HydrophobicContact CG-CD2 4.28Å; L653-L664 HydrophobicContact CB-CD1 3.54Å; L653-L664 HydrophobicContact CD1-CD1 3.88Å; L653-L664 HydrophobicContact CG-CD1 4.36Å; T654-L664 HydrophobicContact CG2-CD1 3.73Å; T654-L664 HydrophobicContact CG2-CD2 3.45Å; T654-L664 VanDerWaalsContact CG2-CD2 3.45Å; T654-L664 HydrophobicContact CG2-CG 4.13Å; P660-L664 PolarHBondContact O-N 3.14Å; R661-L664 WeakPolarHBondContact O-CB 3.46Å; L664-D666 VanDerWaalsContact C-N 3.34Å; L664-L668 HydrophobicContact CD1-CD1 4.27Å; L664-L668 HydrophobicContact CD1-CG 4.46Å; L664-L668 HydrophobicContact CG-CD1 4.05Å; L664-L668 VanDerWaalsContact O-CB 3.32Å; L664-L668 WeakPolarHBondContact O-CB 3.2Å; L664-L668 WeakPolarHBondContact O-CD1 3.39Å; L664-L668 WeakPolarHBondContact O-CG 3.33Å; L664-L668 PolarHBondContact O-N 3.13Å |
| 665 | K | 84.2 | Confident | 77.8 | Confident | 164 Ų | 164 | 69.4 Ų | 69.4 | 71% | 0.713 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.1 | -40.6 | 178.8 | -176.6 | -173.1 | 173.1 | -164.5 | 0 | 111.6 | H663 R669 | H663-K665 PolarHBondContact O-N 2.76Å; H663-K665 VanDerWaalsContact O-N 3.13Å; K665-R669 PolarHBondContact O-N 2.91Å; K665-R669 VanDerWaalsContact O-N 3.17Å |
| 666 | D | 83.1 | Confident | 75.5 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -78.9 | -45.1 | -177.9 | -57.8 | -59.4 | 0 | 0 | 0 | 110.9 | L596 H663 L664 L668 R669 F670 | L596-D666 HydrophobicContact CD1-CB 4.18Å; L596-D666 HydrophobicContact CD2-CB 4.15Å; H663-D666 PolarHBondContact O-N 2.9Å; L664-D666 VanDerWaalsContact C-N 3.34Å; D666-L668 VanDerWaalsContact C-N 3.27Å; D666-L668 PolarHBondContact O-N 3.47Å; D666-R669 WeakPolarHBondContact O-CA 3.28Å; D666-R669 WeakPolarHBondContact O-CB 3.31Å; D666-R669 PolarHBondContact O-N 3.15Å; D666-R669 IonicContact OD1-CZ 3.86Å; D666-R669 IonicContact OD1-NH1 2.73Å; D666-R669 PolarHBondContact OD1-NH1 3.42Å; D666-F670 WeakPolarHBondContact O-CD2 3.18Å; D666-F670 PolarHBondContact O-N 3.48Å |
| 667 | C | 84.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -46.6 | -52.5 | 166.7 | -72.2 | 0 | 0 | 0 | 0 | 111.3 | M612 L653 V659 H663 R669 F670 T671 | M612-C667 HydrophobicContact CE-CB 4.32Å; M612-C667 VanDerWaalsContact CE-O 3.29Å; M612-C667 WeakPolarHBondContact CE-O 3.36Å; M612-C667 HydrophobicContact CG-CB 4.44Å; M612-C667 HydrophobicContact SD-CB 3.57Å; M612-C667 VanDerWaalsContact SD-CB 3.57Å; L653-C667 HydrophobicContact CD1-CB 4.46Å; V659-C667 HydrophobicContact CG1-CB 4.46Å; H663-C667 PolarHBondContact O-N 3.44Å; C667-R669 VanDerWaalsContact C-N 3.28Å; C667-R669 PolarHBondContact O-N 3.4Å; C667-F670 PolarHBondContact O-N 3.48Å; C667-F670 VanDerWaalsContact O-N 3.11Å; C667-T671 WeakPolarHBondContact O-CG2 3.34Å; C667-T671 PolarHBondContact O-N 3.1Å; C667-T671 VanDerWaalsContact O-N 3.08Å |
| 668 | L | 83.5 | Confident | 71.1 | Confident | 41 Ų | 41 | 78.6 Ų | 78.6 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.3 | -32.8 | 177.6 | -74.9 | 169.5 | 0 | 0 | 0 | 113.8 | K649 R650 L653 L664 D666 F670 T671 | K649-L668 HydrophobicContact CB-CD2 3.6Å; K649-L668 HydrophobicContact CD-CD2 4.01Å; K649-L668 HydrophobicContact CG-CD2 4.48Å; R650-L668 HydrophobicContact CG-CD1 3.8Å; L653-L668 HydrophobicContact CD1-CD2 3.66Å; L653-L668 HydrophobicContact CD1-CG 3.91Å; L664-L668 HydrophobicContact CD1-CD1 4.27Å; L664-L668 HydrophobicContact CD1-CG 4.46Å; L664-L668 HydrophobicContact CG-CD1 4.05Å; L664-L668 VanDerWaalsContact O-CB 3.32Å; L664-L668 WeakPolarHBondContact O-CB 3.2Å; L664-L668 WeakPolarHBondContact O-CD1 3.39Å; L664-L668 WeakPolarHBondContact O-CG 3.33Å; L664-L668 PolarHBondContact O-N 3.13Å; D666-L668 VanDerWaalsContact C-N 3.27Å; D666-L668 PolarHBondContact O-N 3.47Å; L668-F670 VanDerWaalsContact C-N 3.27Å; L668-F670 PolarHBondContact O-N 2.94Å; L668-T671 PolarHBondContact O-N 2.69Å; L668-T671 PolarHBondContact O-OG1 3.03Å |
| 669 | R | 83.3 | Confident | 69 | Low | 109 Ų | 109 | 82.1 Ų | 82.1 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -35.3 | 176.2 | -170.4 | 169.9 | 85 | -149 | 15.5 | 112.3 | E595 K665 D666 C667 | E595-R669 IonicContact OE2-CZ 3.38Å; E595-R669 VanDerWaalsContact OE2-CZ 3.29Å; E595-R669 IonicContact OE2-NE 3.04Å; E595-R669 PolarHBondContact OE2-NE 3.38Å; E595-R669 VanDerWaalsContact OE2-NE 3.13Å; E595-R669 IonicContact OE2-NH2 2.89Å; E595-R669 PolarHBondContact OE2-NH2 2.81Å; K665-R669 PolarHBondContact O-N 2.91Å; K665-R669 VanDerWaalsContact O-N 3.17Å; D666-R669 WeakPolarHBondContact O-CA 3.28Å; D666-R669 WeakPolarHBondContact O-CB 3.31Å; D666-R669 PolarHBondContact O-N 3.15Å; D666-R669 IonicContact OD1-CZ 3.86Å; D666-R669 IonicContact OD1-NH1 2.73Å; D666-R669 PolarHBondContact OD1-NH1 3.42Å; C667-R669 VanDerWaalsContact C-N 3.28Å; C667-R669 PolarHBondContact O-N 3.4Å |
| 670 | F | 80.6 | Confident | 66.9 | Low | 1 Ų | 1 | 88 Ų | 88 | 0% | 0.004 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -100.8 | -1.8 | 179.4 | -52.7 | -82.4 | 0 | 0 | 0 | 114 | F587 K591 F592 E595 L596 D666 C667 L668 Y672 | F587-F670 HydrophobicContact CD2-CB 4.18Å; F587-F670 HydrophobicContact CE2-CB 4.08Å; K591-F670 HydrophobicContact CB-CD1 4.25Å; K591-F670 HydrophobicContact CB-CE1 4.27Å; K591-F670 HydrophobicContact CD-CD1 4.48Å; K591-F670 HydrophobicContact CD-CE1 4.3Å; K591-F670 HydrophobicContact CG-CD1 4.34Å; K591-F670 HydrophobicContact CG-CE1 3.98Å; K591-F670 WeakPolarHBondContact O-CE1 3.31Å; F592-F670 HydrophobicContact CB-CB 4.29Å; F592-F670 HydrophobicContact CB-CD1 4.26Å; F592-F670 HydrophobicContact CB-CD2 4.14Å; F592-F670 HydrophobicContact CB-CG 3.97Å; F592-F670 HydrophobicContact CD2-CB 4.11Å; F592-F670 AromaticContact CD2-CD2 3.37Å; F592-F670 HydrophobicContact CD2-CD2 3.37Å; F592-F670 AromaticContact CD2-CE2 3.97Å; F592-F670 HydrophobicContact CD2-CE2 3.97Å; F592-F670 AromaticContact CD2-CG 3.9Å; F592-F670 HydrophobicContact CD2-CG 3.9Å; F592-F670 HydrophobicContact CE2-CD2 4.16Å; F592-F670 HydrophobicContact CG-CD2 4.15Å; F592-F670 HydrophobicContact CG-CG 4.42Å; E595-F670 HydrophobicContact CB-CE1 4.23Å; E595-F670 HydrophobicContact CB-CZ 3.75Å; E595-F670 HydrophobicContact CG-CE1 4.4Å; E595-F670 HydrophobicContact CG-CZ 4.32Å; E595-F670 WeakPolarHBondContact OE2-CE1 3.43Å; E595-F670 WeakPolarHBondContact OE2-CZ 3.47Å; L596-F670 HydrophobicContact CD1-CE2 3.93Å; L596-F670 HydrophobicContact CG-CE2 4.19Å; D666-F670 WeakPolarHBondContact O-CD2 3.18Å; D666-F670 PolarHBondContact O-N 3.48Å; C667-F670 PolarHBondContact O-N 3.48Å; C667-F670 VanDerWaalsContact O-N 3.11Å; L668-F670 VanDerWaalsContact C-N 3.27Å; L668-F670 PolarHBondContact O-N 2.94Å; F670-Y672 VanDerWaalsContact O-CD2 3.22Å; F670-Y672 WeakPolarHBondContact O-CD2 3.41Å; F670-Y672 PolarHBondContact O-N 3.07Å |
| 671 | T | 73 | Confident | 65.6 | Low | 11 Ų | 11 | 89.8 Ų | 89.8 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 97.8 | 167.3 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | M612 F615 K649 L653 C667 L668 L673 | M612-T671 HydrophobicContact CE-CG2 3.53Å; M612-T671 HydrophobicContact SD-CG2 4.04Å; F615-T671 HydrophobicContact CD1-CG2 3.74Å; F615-T671 HydrophobicContact CE1-CG2 3.27Å; F615-T671 HydrophobicContact CZ-CG2 3.78Å; K649-T671 VanDerWaalsContact NZ-CB 3.27Å; K649-T671 PolarHBondContact NZ-O 3.37Å; K649-T671 PolarHBondContact NZ-OG1 3.39Å; L653-T671 HydrophobicContact CD1-CG2 4.41Å; C667-T671 WeakPolarHBondContact O-CG2 3.34Å; C667-T671 PolarHBondContact O-N 3.1Å; C667-T671 VanDerWaalsContact O-N 3.08Å; L668-T671 PolarHBondContact O-N 2.69Å; L668-T671 PolarHBondContact O-OG1 3.03Å; T671-L673 PolarHBondContact O-N 3.48Å |
| 672 | Y | 63.7 | Low | 64.5 | Low | 79 Ų | 79 | 81 Ų | 81 | 31% | 0.31 | 37% | 0.372 | S | S | . | . | trans | -74.5 | 119.7 | 173.5 | -66.3 | -85.6 | 0 | 0 | 0 | 109.1 | P586 D588 F670 | P586-Y672 VanDerWaalsContact CD-O 3.29Å; P586-Y672 WeakPolarHBondContact CD-O 3.47Å; P586-Y672 PolarHBondContact O-N 2.97Å; D588-Y672 HydrophobicContact CB-CD2 4.09Å; D588-Y672 HydrophobicContact CB-CE2 3.53Å; F670-Y672 VanDerWaalsContact O-CD2 3.22Å; F670-Y672 WeakPolarHBondContact O-CD2 3.41Å; F670-Y672 PolarHBondContact O-N 3.07Å | ||
| 673 | L | 56 | Low | 63.5 | Low | 57 Ų | 57 | 76.7 Ų | 76.7 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | trans | -59.4 | 146.8 | 135.1 | -90.8 | 162.9 | 0 | 0 | 0 | 106 | F585 L645 T671 K675 | F585-L673 HydrophobicContact CD1-CD2 4.15Å; F585-L673 HydrophobicContact CD1-CG 4.33Å; F585-L673 HydrophobicContact CE1-CD2 3.64Å; F585-L673 HydrophobicContact CE1-CG 4.09Å; L645-L673 HydrophobicContact CD1-CD1 4.19Å; L645-L673 HydrophobicContact CD1-CD2 4.17Å; T671-L673 PolarHBondContact O-N 3.48Å; L673-K675 PolarHBondContact O-N 3.11Å | ||
| 674 | P | 46.3 | Very low | 62.6 | Low | 46 Ų | 46 | 80 Ų | 80 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -57.8 | 72.6 | 178.8 | -27.5 | 36.9 | 0 | 0 | 0 | 113.9 | S676 E677 | P674-S676 VanDerWaalsContact C-N 3.27Å; P674-E677 WeakPolarHBondContact O-CA 3.41Å; P674-E677 WeakPolarHBondContact O-CB 3.27Å; P674-E677 WeakPolarHBondContact O-CG 3.46Å; P674-E677 PolarHBondContact O-N 3.27Å |
| 675 | K | 42.1 | Very low | 61.8 | Low | 161 Ų | 161 | 81.8 Ų | 81.8 | 70% | 0.7 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.9 | 179.3 | -75.9 | -170.6 | 172 | -170.5 | 0 | 112.6 | L673 E677 E678 | L673-K675 PolarHBondContact O-N 3.11Å; K675-E677 PolarHBondContact O-N 2.83Å; K675-E678 PolarHBondContact O-N 2.8Å |
| 676 | S | 38.6 | Very low | 61.1 | Low | 81 Ų | 81 | 74.1 Ų | 74.1 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -16.4 | 145.1 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | P674 E678 R679 F680 | P674-S676 VanDerWaalsContact C-N 3.27Å; S676-E678 VanDerWaalsContact C-N 3.26Å; S676-E678 PolarHBondContact O-N 2.81Å; S676-R679 PolarHBondContact O-N 3.37Å; S676-F680 VanDerWaalsContact O-CB 3.26Å; S676-F680 WeakPolarHBondContact O-CB 3.21Å; S676-F680 PolarHBondContact O-N 2.83Å |
| 677 | E | 39.3 | Very low | 60.6 | Low | 87 Ų | 87 | 76.7 Ų | 76.7 | 41% | 0.407 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -43.5 | -46.4 | 168.3 | -92.9 | 174.2 | 159.3 | 0 | 0 | 111.1 | R630 P674 K675 R679 F680 Q681 | R630-E677 IonicContact NH2-OE1 3.68Å; P674-E677 WeakPolarHBondContact O-CA 3.41Å; P674-E677 WeakPolarHBondContact O-CB 3.27Å; P674-E677 WeakPolarHBondContact O-CG 3.46Å; P674-E677 PolarHBondContact O-N 3.27Å; K675-E677 PolarHBondContact O-N 2.83Å; E677-R679 PolarHBondContact O-N 2.85Å; E677-F680 PolarHBondContact O-N 2.83Å; E677-Q681 HydrophobicContact CB-CB 4.27Å; E677-Q681 WeakPolarHBondContact O-CA 3.49Å; E677-Q681 WeakPolarHBondContact O-CB 3.49Å; E677-Q681 PolarHBondContact O-N 3.03Å |
| 678 | E | 42.6 | Very low | 60.1 | Low | 174 Ų | 174 | 78.8 Ų | 78.8 | 81% | 0.813 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.8 | -26.9 | -177 | -76.7 | -162.4 | 158.1 | 0 | 0 | 115 | K675 S676 E682 | K675-E678 PolarHBondContact O-N 2.8Å; S676-E678 VanDerWaalsContact C-N 3.26Å; S676-E678 PolarHBondContact O-N 2.81Å; E678-E682 VanDerWaalsContact O-CB 3.23Å; E678-E682 WeakPolarHBondContact O-CB 3.48Å |
| 679 | R | 43.3 | Very low | 59.8 | Low | 218 Ų | 218 | 77 Ų | 77 | 82% | 0.823 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -93.9 | -36.3 | 169.4 | -74.8 | -172.2 | 175.8 | -169.9 | -0.3 | 113.1 | S676 E677 V683 | S676-R679 PolarHBondContact O-N 3.37Å; E677-R679 PolarHBondContact O-N 2.85Å; R679-V683 WeakPolarHBondContact O-CB 3.04Å; R679-V683 VanDerWaalsContact O-CG2 3.25Å; R679-V683 WeakPolarHBondContact O-CG2 3.46Å; R679-V683 PolarHBondContact O-N 2.86Å |
| 680 | F | 43.4 | Very low | 59.4 | Low | 128 Ų | 128 | 75.4 Ų | 75.4 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -76.2 | -46.9 | -177.7 | -170.8 | -91.8 | 0 | 0 | 0 | 111.6 | S676 E677 V683 Q684 | S676-F680 VanDerWaalsContact O-CB 3.26Å; S676-F680 WeakPolarHBondContact O-CB 3.21Å; S676-F680 PolarHBondContact O-N 2.83Å; E677-F680 PolarHBondContact O-N 2.83Å; F680-V683 CarbonylContact O-C 3.5Å; F680-V683 PolarHBondContact O-N 3.41Å; F680-Q684 VanDerWaalsContact CE1-OE1 3.31Å; F680-Q684 WeakPolarHBondContact O-CB 3.48Å; F680-Q684 PolarHBondContact O-N 3.34Å |
| 681 | Q | 55.6 | Low | 59.1 | Low | 88 Ų | 88 | 82.1 Ų | 82.1 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 167.1 | -165.9 | 72.1 | 8 | 0 | 0 | 111.4 | E677 V683 Q684 E685 | E677-Q681 HydrophobicContact CB-CB 4.27Å; E677-Q681 WeakPolarHBondContact O-CA 3.49Å; E677-Q681 WeakPolarHBondContact O-CB 3.49Å; E677-Q681 PolarHBondContact O-N 3.03Å; Q681-V683 VanDerWaalsContact C-N 3.3Å; Q681-V683 PolarHBondContact O-N 3.49Å; Q681-Q684 PolarHBondContact O-N 3.4Å; Q681-E685 WeakPolarHBondContact O-CA 3.3Å; Q681-E685 WeakPolarHBondContact O-CB 3.37Å; Q681-E685 PolarHBondContact O-N 3.46Å |
| 682 | E | 59.7 | Low | 59.2 | Low | 36 Ų | 36 | 85 Ų | 85 | 17% | 0.168 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 174.2 | -166.4 | -156.7 | 110.9 | 0 | 0 | 111.2 | E678 Q686 I710 R714 | E678-E682 VanDerWaalsContact O-CB 3.23Å; E678-E682 WeakPolarHBondContact O-CB 3.48Å; E682-Q686 VanDerWaalsContact O-CB 3.25Å; E682-Q686 WeakPolarHBondContact O-CB 3.42Å; E682-Q686 WeakPolarHBondContact O-CG 3.13Å; E682-Q686 PolarHBondContact O-N 2.88Å; E682-Q686 PolarHBondContact O-NE2 3.4Å; E682-Q686 PolarHBondContact OE1-NE2 2.91Å; E682-I710 HydrophobicContact CG-CG2 3.71Å; E682-I710 WeakPolarHBondContact OE1-CG2 3.44Å; E682-R714 IonicContact OE1-NH1 3.13Å; E682-R714 IonicContact OE2-CZ 3.93Å; E682-R714 IonicContact OE2-NH1 2.69Å; E682-R714 PolarHBondContact OE2-NH1 3.46Å; E682-R714 IonicContact OE2-NH2 2.63Å |
| 683 | V | 60.4 | Low | 59.9 | Low | 52 Ų | 52 | 88.9 Ų | 88.9 | 32% | 0.315 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.9 | -40.2 | 174.5 | 167.4 | 0 | 0 | 0 | 0 | 111.8 | R679 F680 Q681 Q686 L687 | R679-V683 WeakPolarHBondContact O-CB 3.04Å; R679-V683 VanDerWaalsContact O-CG2 3.25Å; R679-V683 WeakPolarHBondContact O-CG2 3.46Å; R679-V683 PolarHBondContact O-N 2.86Å; F680-V683 CarbonylContact O-C 3.5Å; F680-V683 PolarHBondContact O-N 3.41Å; Q681-V683 VanDerWaalsContact C-N 3.3Å; Q681-V683 PolarHBondContact O-N 3.49Å; V683-Q686 WeakPolarHBondContact O-CB 3.34Å; V683-Q686 PolarHBondContact O-N 3.4Å; V683-L687 HydrophobicContact CG1-CD1 4.05Å; V683-L687 WeakPolarHBondContact O-CB 3.32Å; V683-L687 VanDerWaalsContact O-CG 3.24Å; V683-L687 WeakPolarHBondContact O-CG 3.49Å; V683-L687 PolarHBondContact O-N 3.32Å |
| 684 | Q | 66.8 | Low | 61.1 | Low | 96 Ų | 96 | 87.9 Ų | 87.9 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.9 | -36.9 | 179.5 | -173.1 | 175.4 | -0.3 | 0 | 0 | 111.5 | F680 Q681 L687 A688 | F680-Q684 VanDerWaalsContact CE1-OE1 3.31Å; F680-Q684 WeakPolarHBondContact O-CB 3.48Å; F680-Q684 PolarHBondContact O-N 3.34Å; Q681-Q684 PolarHBondContact O-N 3.4Å; Q684-L687 PolarHBondContact O-N 2.91Å; Q684-A688 VanDerWaalsContact O-CB 3.26Å; Q684-A688 WeakPolarHBondContact O-CB 3.36Å; Q684-A688 PolarHBondContact O-N 3.48Å |
| 685 | E | 68.6 | Low | 62.8 | Low | 60 Ų | 60 | 94.8 Ų | 94.8 | 28% | 0.28 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.5 | -37.6 | 170.6 | -169.8 | 178.6 | -167.7 | 0 | 0 | 110.4 | Q681 A688 M689 | Q681-E685 WeakPolarHBondContact O-CA 3.3Å; Q681-E685 WeakPolarHBondContact O-CB 3.37Å; Q681-E685 PolarHBondContact O-N 3.46Å; E685-A688 PolarHBondContact O-N 2.79Å; E685-M689 HydrophobicContact CG-CE 4.31Å; E685-M689 WeakPolarHBondContact O-CB 3.2Å; E685-M689 VanDerWaalsContact O-CG 3.27Å; E685-M689 WeakPolarHBondContact O-CG 3.47Å; E685-M689 PolarHBondContact O-N 3.13Å |
| 686 | Q | 69.7 | Low | 64.6 | Low | 3 Ų | 3 | 91.9 Ų | 91.9 | 1% | 0.014 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 168.6 | -84.4 | 171.6 | 83.5 | 0 | 0 | 112.8 | E682 V683 M689 R690 I710 R711 | E682-Q686 VanDerWaalsContact O-CB 3.25Å; E682-Q686 WeakPolarHBondContact O-CB 3.42Å; E682-Q686 WeakPolarHBondContact O-CG 3.13Å; E682-Q686 PolarHBondContact O-N 2.88Å; E682-Q686 PolarHBondContact O-NE2 3.4Å; E682-Q686 PolarHBondContact OE1-NE2 2.91Å; V683-Q686 WeakPolarHBondContact O-CB 3.34Å; V683-Q686 PolarHBondContact O-N 3.4Å; Q686-M689 HydrophobicContact CG-CE 4.39Å; Q686-R690 WeakPolarHBondContact O-CB 3.49Å; Q686-R690 VanDerWaalsContact O-CG 3.23Å; Q686-R690 WeakPolarHBondContact O-CG 3.23Å; Q686-R690 PolarHBondContact O-N 3.2Å; Q686-I710 VanDerWaalsContact CD-CG2 3.45Å; Q686-I710 HydrophobicContact CG-CG2 3.66Å; Q686-I710 VanDerWaalsContact NE2-CG2 3.33Å; Q686-R711 VanDerWaalsContact OE1-CD 3.25Å |
| 687 | L | 71.2 | Confident | 66.5 | Low | 82 Ų | 82 | 92.1 Ų | 92.1 | 43% | 0.429 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 176.2 | -73.8 | 167 | 0 | 0 | 0 | 110.8 | V683 Q684 R690 Q691 | V683-L687 HydrophobicContact CG1-CD1 4.05Å; V683-L687 WeakPolarHBondContact O-CB 3.32Å; V683-L687 VanDerWaalsContact O-CG 3.24Å; V683-L687 WeakPolarHBondContact O-CG 3.49Å; V683-L687 PolarHBondContact O-N 3.32Å; Q684-L687 PolarHBondContact O-N 2.91Å; L687-R690 CarbonylContact O-C 3.6Å; L687-R690 PolarHBondContact O-N 3.48Å; L687-Q691 WeakPolarHBondContact O-CB 3.43Å; L687-Q691 VanDerWaalsContact O-CG 3.27Å; L687-Q691 WeakPolarHBondContact O-CG 3.26Å; L687-Q691 PolarHBondContact O-N 2.85Å |
| 688 | A | 74.9 | Confident | 68.4 | Low | 45 Ų | 45 | 91.7 Ų | 91.7 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q684 E685 R690 Q691 M692 | Q684-A688 VanDerWaalsContact O-CB 3.26Å; Q684-A688 WeakPolarHBondContact O-CB 3.36Å; Q684-A688 PolarHBondContact O-N 3.48Å; E685-A688 PolarHBondContact O-N 2.79Å; A688-R690 VanDerWaalsContact C-N 3.31Å; A688-R690 PolarHBondContact O-N 3.32Å; A688-Q691 CarbonylContact O-C 3.59Å; A688-Q691 WeakPolarHBondContact O-CA 3.28Å; A688-Q691 PolarHBondContact O-N 3.32Å; A688-Q691 VanDerWaalsContact O-N 3.07Å; A688-M692 WeakPolarHBondContact O-CG 3.41Å; A688-M692 PolarHBondContact O-N 3.44Å |
| 689 | M | 76.1 | Confident | 69.8 | Low | 4 Ų | 4 | 91 Ų | 91 | 2% | 0.02 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 173.5 | -81.1 | -163.7 | -70.2 | 0 | 0 | 112.4 | E685 Q686 M692 P707 Y708 C736 | E685-M689 HydrophobicContact CG-CE 4.31Å; E685-M689 WeakPolarHBondContact O-CB 3.2Å; E685-M689 VanDerWaalsContact O-CG 3.27Å; E685-M689 WeakPolarHBondContact O-CG 3.47Å; E685-M689 PolarHBondContact O-N 3.13Å; Q686-M689 HydrophobicContact CG-CE 4.39Å; M689-M692 HydrophobicContact CG-CE 4.28Å; M689-M692 PolarHBondContact O-N 2.89Å; M689-P707 HydrophobicContact CB-CB 3.81Å; M689-P707 HydrophobicContact CG-CB 4.31Å; M689-P707 WeakPolarHBondContact O-CB 3.41Å; M689-Y708 HydrophobicContact CE-CD1 4.29Å; M689-Y708 HydrophobicContact CE-CE1 4.06Å; M689-Y708 VanDerWaalsContact CE-O 3.3Å; M689-Y708 WeakPolarHBondContact CE-O 3.48Å; M689-Y708 HydrophobicContact SD-CD1 3.71Å; M689-Y708 HydrophobicContact SD-CE1 3.75Å; M689-C736 HydrophobicContact SD-CB 3.74Å |
| 690 | R | 74.8 | Confident | 71.3 | Confident | 75 Ų | 75 | 81.6 Ų | 81.6 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.3 | -29.6 | 173.6 | -72.5 | 168.5 | -172.9 | 140 | 6.1 | 112.8 | Q686 L687 A688 M692 L799 D802 | Q686-R690 WeakPolarHBondContact O-CB 3.49Å; Q686-R690 VanDerWaalsContact O-CG 3.23Å; Q686-R690 WeakPolarHBondContact O-CG 3.23Å; Q686-R690 PolarHBondContact O-N 3.2Å; L687-R690 CarbonylContact O-C 3.6Å; L687-R690 PolarHBondContact O-N 3.48Å; A688-R690 VanDerWaalsContact C-N 3.31Å; A688-R690 PolarHBondContact O-N 3.32Å; R690-M692 VanDerWaalsContact C-N 3.33Å; R690-L799 HydrophobicContact CG-CD2 4.21Å; R690-D802 IonicContact CZ-OD1 3.11Å; R690-D802 IonicContact NH2-OD1 2.73Å; R690-D802 PolarHBondContact NH2-OD1 3.23Å; R690-D802 IonicContact NH2-OD2 2.82Å; R690-D802 PolarHBondContact NH2-OD2 3.02Å |
| 691 | Q | 74.2 | Confident | 73.2 | Confident | 142 Ų | 142 | 78.9 Ų | 78.9 | 66% | 0.664 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -79.3 | -9.7 | 175.5 | -71.1 | 171.1 | 7.6 | 0 | 0 | 113.6 | L687 A688 K693 | L687-Q691 WeakPolarHBondContact O-CB 3.43Å; L687-Q691 VanDerWaalsContact O-CG 3.27Å; L687-Q691 WeakPolarHBondContact O-CG 3.26Å; L687-Q691 PolarHBondContact O-N 2.85Å; A688-Q691 CarbonylContact O-C 3.59Å; A688-Q691 WeakPolarHBondContact O-CA 3.28Å; A688-Q691 PolarHBondContact O-N 3.32Å; A688-Q691 VanDerWaalsContact O-N 3.07Å; Q691-K693 PolarHBondContact O-N 2.97Å |
| 692 | M | 76 | Confident | 74.7 | Confident | 70 Ų | 70 | 81 Ų | 81 | 35% | 0.345 | 39% | 0.391 | S | S | . | . | trans | -66.3 | 95.7 | 177 | -67.1 | -170.7 | -178 | 0 | 0 | 111.8 | A688 M689 R690 P705 | A688-M692 WeakPolarHBondContact O-CG 3.41Å; A688-M692 PolarHBondContact O-N 3.44Å; M689-M692 HydrophobicContact CG-CE 4.28Å; M689-M692 PolarHBondContact O-N 2.89Å; R690-M692 VanDerWaalsContact C-N 3.33Å; M692-P705 HydrophobicContact CB-CB 3.85Å; M692-P705 HydrophobicContact CB-CG 3.68Å; M692-P705 HydrophobicContact CG-CB 4.5Å; M692-P705 VanDerWaalsContact O-CG 3.3Å; M692-P705 WeakPolarHBondContact O-CG 3.35Å; M692-P705 HydrophobicContact SD-CB 3.99Å | ||
| 693 | K | 77.6 | Confident | 76.2 | Confident | 161 Ų | 161 | 83.8 Ų | 83.8 | 70% | 0.7 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 150.8 | 172.4 | -65.6 | -178.5 | 179.9 | -178.7 | 0 | 111.8 | Q691 R695 | Q691-K693 PolarHBondContact O-N 2.97Å; K693-R695 PolarHBondContact O-N 2.88Å |
| 694 | P | 81.7 | Confident | 77.6 | Confident | 36 Ų | 36 | 81.3 Ų | 81.3 | 23% | 0.234 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 135.4 | 171 | -22.4 | 34.1 | 0 | 0 | 0 | 112 | R703 I704 E796 F797 | P694-R703 VanDerWaalsContact CA-O 3.3Å; P694-R703 WeakPolarHBondContact CA-O 3.29Å; P694-I704 HydrophobicContact CB-CG1 4.36Å; P694-I704 HydrophobicContact CG-CG1 4.41Å; P694-E796 WeakPolarHBondContact CD-O 3.45Å; P694-E796 VanDerWaalsContact CG-O 3.26Å; P694-E796 WeakPolarHBondContact CG-O 3.26Å; P694-F797 HydrophobicContact CG-CB 3.83Å; P694-F797 HydrophobicContact CG-CD2 4.28Å |
| 695 | R | 82 | Confident | 78.8 | Confident | 192 Ų | 192 | 77.7 Ų | 77.7 | 73% | 0.725 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.3 | 174 | -62.8 | -173.9 | -177.2 | -173.8 | -0.3 | 109.6 | K693 R702 R703 | K693-R695 PolarHBondContact O-N 2.88Å; R695-R702 CarbonylContact O-C 3.44Å; R695-R702 WeakPolarHBondContact O-CA 3.49Å; R695-R703 PolarHBondContact N-O 3.22Å; R695-R703 PolarHBondContact O-N 3.23Å |
| 696 | V | 79.7 | Confident | 79.9 | Confident | 100 Ų | 100 | 74.8 Ų | 74.8 | 61% | 0.606 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.2 | 166.1 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | E698 R702 | V696-E698 WeakPolarHBondContact CG1-O 3.49Å; V696-R702 HydrophobicContact CG2-CG 4.42Å |
| 697 | L | 79.2 | Confident | 81 | Confident | 86 Ų | 86 | 74.7 Ų | 74.7 | 45% | 0.45 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -46.2 | 172.4 | -63.8 | 178.2 | 0 | 0 | 0 | 110 | R701 R703 I741 | L697-R701 HydrophobicContact CB-CB 4.24Å; L697-R701 PolarHBondContact N-O 3.01Å; L697-R703 HydrophobicContact CD1-CB 4.07Å; L697-R703 HydrophobicContact CD2-CB 4.05Å; L697-R703 HydrophobicContact CG-CB 3.97Å; L697-I741 HydrophobicContact CD1-CD1 4.24Å; L697-I741 HydrophobicContact CD1-CG1 4.22Å; L697-I741 HydrophobicContact CD1-CG2 4.4Å |
| 698 | E | 78.1 | Confident | 82 | Confident | 78 Ų | 78 | 71 Ų | 71 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 169.2 | -178.8 | -46.6 | 171.3 | -114 | 0 | 0 | 108.4 | V696 G700 R701 R745 | V696-E698 WeakPolarHBondContact CG1-O 3.49Å; E698-G700 PolarHBondContact O-N 2.85Å; E698-G700 VanDerWaalsContact O-N 3.13Å; E698-R701 HydrophobicContact CB-CB 4.2Å; E698-R701 PolarHBondContact N-O 2.74Å; E698-R701 PolarHBondContact O-N 3.49Å; E698-R701 VanDerWaalsContact O-O 3.12Å; E698-R701 WeakPolarHBondContact OE1-CD 3.43Å; E698-R701 IonicContact OE1-CZ 3.92Å; E698-R701 IonicContact OE1-NE 3.92Å; E698-R701 IonicContact OE1-NH1 2.83Å; E698-R701 PolarHBondContact OE1-NH1 2.83Å; E698-R745 IonicContact OE1-NH1 3.22Å; E698-R745 IonicContact OE2-CZ 2.75Å; E698-R745 IonicContact OE2-NH1 3.03Å; E698-R745 PolarHBondContact OE2-NH1 2.97Å; E698-R745 IonicContact OE2-NH2 3.5Å; E698-R745 PolarHBondContact OE2-NH2 3.38Å |
| 699 | I | 72.2 | Confident | 82.8 | Confident | 158 Ų | 158 | 68.9 Ų | 68.9 | 81% | 0.81 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 122.4 | 171.5 | -59.7 | 175.6 | 0 | 0 | 0 | 109.2 | R745 | I699-R745 PolarHBondContact O-NE 3.19Å; I699-R745 PolarHBondContact O-NH2 3.38Å; I699-R745 VanDerWaalsContact O-NH2 3.12Å |
| 700 | G | 74.7 | Confident | 83.5 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 4.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E698 T744 | E698-G700 PolarHBondContact O-N 2.85Å; E698-G700 VanDerWaalsContact O-N 3.13Å; G700-T744 WeakPolarHBondContact CA-OG1 3.28Å; G700-T744 PolarHBondContact O-N 3Å; G700-T744 PolarHBondContact O-OG1 3.17Å |
| 701 | R | 84.9 | Confident | 84.1 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.9 | 177.7 | -78.7 | 176.2 | 168.6 | -176.7 | -3.2 | 112.9 | L697 E698 V742 D743 | L697-R701 HydrophobicContact CB-CB 4.24Å; L697-R701 PolarHBondContact N-O 3.01Å; E698-R701 HydrophobicContact CB-CB 4.2Å; E698-R701 PolarHBondContact N-O 2.74Å; E698-R701 PolarHBondContact O-N 3.49Å; E698-R701 VanDerWaalsContact O-O 3.12Å; E698-R701 WeakPolarHBondContact OE1-CD 3.43Å; E698-R701 IonicContact OE1-CZ 3.92Å; E698-R701 IonicContact OE1-NE 3.92Å; E698-R701 IonicContact OE1-NH1 2.83Å; E698-R701 PolarHBondContact OE1-NH1 2.83Å; R701-V742 WeakPolarHBondContact CA-O 3.48Å; R701-D743 WeakPolarHBondContact CG-OD1 3.23Å; R701-D743 IonicContact CZ-OD1 3.47Å; R701-D743 IonicContact CZ-OD2 2.84Å; R701-D743 IonicContact NE-OD1 2.73Å; R701-D743 PolarHBondContact NE-OD1 3.38Å; R701-D743 IonicContact NE-OD2 3.39Å; R701-D743 PolarHBondContact NE-OD2 2.73Å; R701-D743 VanDerWaalsContact NE-OD2 3.08Å; R701-D743 IonicContact NH2-OD1 3.63Å; R701-D743 IonicContact NH2-OD2 3.39Å; R701-D743 PolarHBondContact NH2-OD2 2.9Å |
| 702 | R | 87.3 | Confident | 84.9 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 50% | 0.502 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.1 | 179.8 | -59.6 | -174.5 | -177.5 | -176.6 | 0.7 | 111.3 | R695 V696 V742 | R695-R702 CarbonylContact O-C 3.44Å; R695-R702 WeakPolarHBondContact O-CA 3.49Å; V696-R702 HydrophobicContact CG2-CG 4.42Å; R702-V742 PolarHBondContact N-O 2.97Å; R702-V742 PolarHBondContact O-N 2.97Å |
| 703 | R | 90.7 | Very high | 85.6 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 110.4 | 171.8 | -173.8 | 175.7 | 177.6 | -166.3 | -2.1 | 109.5 | P694 R695 L697 S739 N754 | P694-R703 VanDerWaalsContact CA-O 3.3Å; P694-R703 WeakPolarHBondContact CA-O 3.29Å; R695-R703 PolarHBondContact N-O 3.22Å; R695-R703 PolarHBondContact O-N 3.23Å; L697-R703 HydrophobicContact CD1-CB 4.07Å; L697-R703 HydrophobicContact CD2-CB 4.05Å; L697-R703 HydrophobicContact CG-CB 3.97Å; R703-S739 PolarHBondContact NE-OG 2.92Å; R703-S739 PolarHBondContact NH2-OG 3.34Å; R703-S739 VanDerWaalsContact NH2-OG 3.15Å; R703-N754 PolarHBondContact NE-OD1 3.09Å |
| 704 | I | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.6 | 176.3 | -69.8 | 177.4 | 0 | 0 | 0 | 109.8 | P694 S739 V740 V742 L764 L792 F797 | P694-I704 HydrophobicContact CB-CG1 4.36Å; P694-I704 HydrophobicContact CG-CG1 4.41Å; I704-S739 VanDerWaalsContact O-CA 3.28Å; I704-S739 WeakPolarHBondContact O-CA 3.44Å; I704-S739 VanDerWaalsContact O-CB 3.23Å; I704-S739 WeakPolarHBondContact O-CB 3.29Å; I704-V740 PolarHBondContact N-O 3.05Å; I704-V740 PolarHBondContact O-N 2.99Å; I704-V742 HydrophobicContact CD1-CG2 3.28Å; I704-V742 HydrophobicContact CG1-CG2 4.02Å; I704-L764 HydrophobicContact CD1-CD1 4.49Å; I704-L764 HydrophobicContact CD1-CD2 4.14Å; I704-L792 HydrophobicContact CG2-CD1 3.97Å; I704-F797 HydrophobicContact CD1-CB 3.84Å; I704-F797 HydrophobicContact CD1-CD1 3.45Å; I704-F797 VanDerWaalsContact CD1-CD1 3.45Å; I704-F797 HydrophobicContact CD1-CD2 3.64Å; I704-F797 HydrophobicContact CD1-CE1 3.8Å; I704-F797 HydrophobicContact CD1-CE2 3.97Å; I704-F797 HydrophobicContact CD1-CG 3.35Å; I704-F797 HydrophobicContact CD1-CZ 4.04Å; I704-F797 HydrophobicContact CG1-CB 4Å; I704-F797 HydrophobicContact CG1-CD2 4.09Å; I704-F797 HydrophobicContact CG1-CG 3.96Å; I704-F797 HydrophobicContact CG2-CB 4.16Å |
| 705 | P | 90.6 | Very high | 86.5 | Confident | 19 Ų | 19 | 65 Ų | 65 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 161.8 | 168.3 | 32.5 | -34.3 | 0 | 0 | 0 | 111.1 | M692 P707 | M692-P705 HydrophobicContact CB-CB 3.85Å; M692-P705 HydrophobicContact CB-CG 3.68Å; M692-P705 HydrophobicContact CG-CB 4.5Å; M692-P705 VanDerWaalsContact O-CG 3.3Å; M692-P705 WeakPolarHBondContact O-CG 3.35Å; M692-P705 HydrophobicContact SD-CB 3.99Å; P705-P707 WeakPolarHBondContact O-CD 3.39Å |
| 706 | L | 93.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -117.1 | 57.3 | -177.3 | -65.3 | -179.9 | 0 | 0 | 0 | 114 | Y735 C736 L738 V740 R768 I771 | L706-Y735 HydrophobicContact CB-CD1 4.17Å; L706-Y735 HydrophobicContact CB-CE1 3.73Å; L706-Y735 HydrophobicContact CB-CE2 4.48Å; L706-Y735 HydrophobicContact CD1-CD2 4.49Å; L706-Y735 HydrophobicContact CD1-CE2 4.02Å; L706-Y735 VanDerWaalsContact O-CD1 3.31Å; L706-Y735 WeakPolarHBondContact O-CD1 3.27Å; L706-Y735 WeakPolarHBondContact O-CE1 3.46Å; L706-C736 WeakPolarHBondContact O-CA 3.5Å; L706-L738 HydrophobicContact CD1-CB 4.25Å; L706-L738 PolarHBondContact N-O 2.94Å; L706-V740 HydrophobicContact CD1-CG2 4.26Å; L706-V740 HydrophobicContact CD2-CG2 4.11Å; L706-R768 HydrophobicContact CD2-CG 3.87Å; L706-I771 HydrophobicContact CD1-CD1 3.69Å; L706-I771 HydrophobicContact CD1-CG2 4.13Å | ||
| 707 | P | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -64.3 | 160.5 | 179.4 | 30.3 | -37.1 | 0 | 0 | 0 | 113 | M689 P705 S790 L792 L799 | M689-P707 HydrophobicContact CB-CB 3.81Å; M689-P707 HydrophobicContact CG-CB 4.31Å; M689-P707 WeakPolarHBondContact O-CB 3.41Å; P705-P707 WeakPolarHBondContact O-CD 3.39Å; P707-S790 WeakPolarHBondContact O-CB 3.37Å; P707-L792 HydrophobicContact CG-CD2 3.79Å; P707-L799 HydrophobicContact CB-CB 4.28Å; P707-L799 HydrophobicContact CB-CD2 4.38Å; P707-L799 HydrophobicContact CG-CB 3.95Å | ||
| 708 | Y | 92.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | trans | -146.1 | 159.9 | 174.8 | 74.4 | -75.5 | 0 | 0 | 0 | 111 | M689 I710 L713 M732 C736 A789 | M689-Y708 HydrophobicContact CE-CD1 4.29Å; M689-Y708 HydrophobicContact CE-CE1 4.06Å; M689-Y708 VanDerWaalsContact CE-O 3.3Å; M689-Y708 WeakPolarHBondContact CE-O 3.48Å; M689-Y708 HydrophobicContact SD-CD1 3.71Å; M689-Y708 HydrophobicContact SD-CE1 3.75Å; Y708-I710 HydrophobicContact CE2-CB 3.88Å; Y708-I710 HydrophobicContact CE2-CD1 4Å; Y708-L713 HydrophobicContact CD2-CD2 4.23Å; Y708-L713 HydrophobicContact CE2-CD2 3.98Å; Y708-M732 VanDerWaalsContact CB-CE 3.5Å; Y708-M732 HydrophobicContact CD1-CB 4.38Å; Y708-M732 HydrophobicContact CD1-CE 4.08Å; Y708-M732 HydrophobicContact CD2-CB 4.05Å; Y708-M732 HydrophobicContact CD2-CE 3.8Å; Y708-M732 HydrophobicContact CE1-CB 4.06Å; Y708-M732 WeakPolarHBondContact CE1-O 3.25Å; Y708-M732 HydrophobicContact CE2-CB 3.67Å; Y708-M732 HydrophobicContact CG-CB 4.39Å; Y708-M732 HydrophobicContact CG-CE 3.52Å; Y708-C736 HydrophobicContact CD1-CB 3.94Å; Y708-C736 HydrophobicContact CE1-CB 3.92Å; Y708-A789 WeakPolarHBondContact CA-O 3.42Å | ||
| 709 | S | 91.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | trans | -95.8 | 109.7 | 170.3 | 175.4 | 0 | 0 | 0 | 0 | 110 | R711 V712 L713 A789 D802 | S709-R711 VanDerWaalsContact C-N 3.31Å; S709-V712 PolarHBondContact O-N 3.47Å; S709-V712 WeakPolarHBondContact OG-CG2 3.42Å; S709-V712 PolarHBondContact OG-N 2.86Å; S709-V712 VanDerWaalsContact OG-N 3.15Å; S709-L713 WeakPolarHBondContact O-CB 3.47Å; S709-L713 PolarHBondContact O-N 3.17Å; S709-A789 PolarHBondContact N-O 3.11Å; S709-D802 WeakPolarHBondContact CB-OD1 3.39Å; S709-D802 VanDerWaalsContact OG-CG 3.3Å; S709-D802 PolarHBondContact OG-OD1 3.01Å | ||
| 710 | I | 89.5 | Confident | 88.8 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -38.7 | 172.6 | -178.3 | 66.5 | 0 | 0 | 0 | 111.5 | E682 Q686 Y708 V712 L713 R714 E729 | E682-I710 HydrophobicContact CG-CG2 3.71Å; E682-I710 WeakPolarHBondContact OE1-CG2 3.44Å; Q686-I710 VanDerWaalsContact CD-CG2 3.45Å; Q686-I710 HydrophobicContact CG-CG2 3.66Å; Q686-I710 VanDerWaalsContact NE2-CG2 3.33Å; Y708-I710 HydrophobicContact CE2-CB 3.88Å; Y708-I710 HydrophobicContact CE2-CD1 4Å; I710-V712 PolarHBondContact O-N 3.16Å; I710-L713 HydrophobicContact CD1-CD2 4.39Å; I710-L713 PolarHBondContact O-N 2.98Å; I710-R714 WeakPolarHBondContact O-CB 3.26Å; I710-R714 WeakPolarHBondContact O-CG 3.48Å; I710-R714 PolarHBondContact O-N 2.85Å; I710-E729 HydrophobicContact CD1-CB 4.09Å; I710-E729 HydrophobicContact CD1-CG 3.58Å |
| 711 | R | 88.3 | Confident | 89.5 | Confident | 122 Ų | 122 | 50 Ų | 50 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 173.9 | -71.3 | 178.8 | 173.9 | -164.4 | -4.3 | 112.3 | Q686 S709 R715 D802 | Q686-R711 VanDerWaalsContact OE1-CD 3.25Å; S709-R711 VanDerWaalsContact C-N 3.31Å; R711-R715 WeakPolarHBondContact O-CG 3.43Å; R711-R715 PolarHBondContact O-N 3.01Å; R711-R715 VanDerWaalsContact O-N 3.15Å; R711-D802 WeakPolarHBondContact CD-OD2 3.35Å |
| 712 | V | 90.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.1 | -37.4 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | S709 I710 R714 R715 L716 A789 D802 L805 | S709-V712 PolarHBondContact O-N 3.47Å; S709-V712 WeakPolarHBondContact OG-CG2 3.42Å; S709-V712 PolarHBondContact OG-N 2.86Å; S709-V712 VanDerWaalsContact OG-N 3.15Å; I710-V712 PolarHBondContact O-N 3.16Å; V712-R714 PolarHBondContact O-N 3.46Å; V712-R715 PolarHBondContact O-N 3.47Å; V712-L716 HydrophobicContact CG1-CD1 3.76Å; V712-L716 HydrophobicContact CG1-CG 4.06Å; V712-L716 WeakPolarHBondContact O-CB 3.46Å; V712-L716 VanDerWaalsContact O-CG 3.27Å; V712-L716 WeakPolarHBondContact O-CG 3.47Å; V712-L716 PolarHBondContact O-N 2.94Å; V712-A789 HydrophobicContact CB-CB 4.47Å; V712-A789 HydrophobicContact CG1-CB 4.26Å; V712-D802 HydrophobicContact CG2-CB 3.97Å; V712-L805 HydrophobicContact CG1-CB 4.14Å; V712-L805 HydrophobicContact CG2-CB 3.9Å; V712-L805 HydrophobicContact CG2-CD1 4.2Å |
| 713 | L | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -47.3 | 174.9 | -175.7 | 66.8 | 0 | 0 | 0 | 111.2 | Y708 S709 I710 L716 T717 E729 M732 A789 | Y708-L713 HydrophobicContact CD2-CD2 4.23Å; Y708-L713 HydrophobicContact CE2-CD2 3.98Å; S709-L713 WeakPolarHBondContact O-CB 3.47Å; S709-L713 PolarHBondContact O-N 3.17Å; I710-L713 HydrophobicContact CD1-CD2 4.39Å; I710-L713 PolarHBondContact O-N 2.98Å; L713-L716 PolarHBondContact O-N 3.29Å; L713-T717 HydrophobicContact CD1-CG2 4.08Å; L713-T717 HydrophobicContact CG-CG2 4.46Å; L713-T717 WeakPolarHBondContact O-CB 3.38Å; L713-T717 WeakPolarHBondContact O-CG2 3.38Å; L713-T717 PolarHBondContact O-N 3.33Å; L713-T717 PolarHBondContact O-OG1 2.83Å; L713-E729 HydrophobicContact CD2-CG 4.13Å; L713-M732 HydrophobicContact CD2-CB 3.97Å; L713-M732 HydrophobicContact CD2-CG 3.72Å; L713-A789 HydrophobicContact CB-CB 3.89Å; L713-A789 HydrophobicContact CD1-CB 4.12Å |
| 714 | R | 90.6 | Very high | 89.3 | Confident | 102 Ų | 102 | 46 Ų | 46 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 175.2 | -78.2 | 173.1 | -179.5 | 173 | 3.1 | 112 | E682 I710 V712 L716 T717 A718 E729 | E682-R714 IonicContact OE1-NH1 3.13Å; E682-R714 IonicContact OE2-CZ 3.93Å; E682-R714 IonicContact OE2-NH1 2.69Å; E682-R714 PolarHBondContact OE2-NH1 3.46Å; E682-R714 IonicContact OE2-NH2 2.63Å; I710-R714 WeakPolarHBondContact O-CB 3.26Å; I710-R714 WeakPolarHBondContact O-CG 3.48Å; I710-R714 PolarHBondContact O-N 2.85Å; V712-R714 PolarHBondContact O-N 3.46Å; R714-L716 VanDerWaalsContact C-N 3.34Å; R714-L716 PolarHBondContact O-N 2.95Å; R714-T717 CarbonylContact O-C 3.6Å; R714-T717 PolarHBondContact O-N 3.42Å; R714-T717 PolarHBondContact O-OG1 2.88Å; R714-A718 PolarHBondContact O-N 2.98Å; R714-E729 WeakPolarHBondContact CG-OE1 3.36Å; R714-E729 IonicContact CZ-OE1 3.59Å; R714-E729 IonicContact CZ-OE2 3.4Å; R714-E729 VanDerWaalsContact CZ-OE2 3.3Å; R714-E729 VanDerWaalsContact NE-CD 3.29Å; R714-E729 IonicContact NE-OE1 2.7Å; R714-E729 PolarHBondContact NE-OE1 2.68Å; R714-E729 IonicContact NE-OE2 3.17Å; R714-E729 PolarHBondContact NE-OE2 3.01Å; R714-E729 IonicContact NH2-OE2 2.85Å; R714-E729 PolarHBondContact NH2-OE2 3.31Å |
| 715 | R | 87.2 | Confident | 89.4 | Confident | 173 Ų | 173 | 49.9 Ų | 49.9 | 65% | 0.653 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -56.8 | -43.6 | 174.8 | -72.9 | 174.9 | 174.1 | -174.8 | -3.9 | 112.5 | R711 V712 | R711-R715 WeakPolarHBondContact O-CG 3.43Å; R711-R715 PolarHBondContact O-N 3.01Å; R711-R715 VanDerWaalsContact O-N 3.15Å; V712-R715 PolarHBondContact O-N 3.47Å |
| 716 | L | 87.7 | Confident | 89.3 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75 | -21.1 | -179.8 | -66.5 | 178.2 | 0 | 0 | 0 | 114.2 | V712 L713 R714 H719 H785 Q788 A789 A809 | V712-L716 HydrophobicContact CG1-CD1 3.76Å; V712-L716 HydrophobicContact CG1-CG 4.06Å; V712-L716 WeakPolarHBondContact O-CB 3.46Å; V712-L716 VanDerWaalsContact O-CG 3.27Å; V712-L716 WeakPolarHBondContact O-CG 3.47Å; V712-L716 PolarHBondContact O-N 2.94Å; L713-L716 PolarHBondContact O-N 3.29Å; R714-L716 VanDerWaalsContact C-N 3.34Å; R714-L716 PolarHBondContact O-N 2.95Å; L716-H719 PolarHBondContact O-CE1 3.43Å; L716-H719 PolarHBondContact O-ND1 2.96Å; L716-H785 HydrophobicContact CB-CB 4.34Å; L716-Q788 HydrophobicContact CD1-CB 3.62Å; L716-A789 HydrophobicContact CD1-CB 4.44Å; L716-A809 HydrophobicContact CD1-CB 4.34Å; L716-A809 HydrophobicContact CD2-CB 3.67Å |
| 717 | T | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -107.8 | 0.3 | -178.3 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | L713 R714 H719 L720 R725 L728 H785 | L713-T717 HydrophobicContact CD1-CG2 4.08Å; L713-T717 HydrophobicContact CG-CG2 4.46Å; L713-T717 WeakPolarHBondContact O-CB 3.38Å; L713-T717 WeakPolarHBondContact O-CG2 3.38Å; L713-T717 PolarHBondContact O-N 3.33Å; L713-T717 PolarHBondContact O-OG1 2.83Å; R714-T717 CarbonylContact O-C 3.6Å; R714-T717 PolarHBondContact O-N 3.42Å; R714-T717 PolarHBondContact O-OG1 2.88Å; T717-H719 PolarHBondContact O-N 3.47Å; T717-H719 VanDerWaalsContact O-N 3.09Å; T717-L720 HydrophobicContact CG2-CD1 4.02Å; T717-L720 VanDerWaalsContact O-CB 3.26Å; T717-L720 WeakPolarHBondContact O-CB 3.38Å; T717-L720 PolarHBondContact O-N 2.82Å; T717-R725 WeakPolarHBondContact O-CD 3.39Å; T717-R725 WeakPolarHBondContact O-CG 3.43Å; T717-L728 HydrophobicContact CG2-CD1 3.97Å; T717-H785 HydrophobicContact CG2-CB 4.16Å |
| 718 | A | 87.2 | Confident | 89.2 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -36.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R714 L720 R725 | R714-A718 PolarHBondContact O-N 2.98Å; A718-L720 PolarHBondContact O-N 2.86Å; A718-R725 PolarHBondContact O-NE 2.82Å; A718-R725 PolarHBondContact O-NH2 3.23Å |
| 719 | H | 86.4 | Confident | 89.1 | Confident | 131 Ų | 131 | 59.3 Ų | 59.3 | 61% | 0.606 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -0.3 | 176.5 | 72.9 | -90.8 | 0 | 0 | 0 | 115 | L716 T717 H785 | L716-H719 PolarHBondContact O-CE1 3.43Å; L716-H719 PolarHBondContact O-ND1 2.96Å; T717-H719 PolarHBondContact O-N 3.47Å; T717-H719 VanDerWaalsContact O-N 3.09Å; H719-H785 AromaticContact CE1-CE1 4Å; H719-H785 AromaticContact CE1-NE2 3.73Å |
| 720 | L | 88.1 | Confident | 89.1 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -101.7 | 152.5 | 178 | -57.6 | 175.8 | 0 | 0 | 0 | 110.8 | T717 A718 T724 R725 L728 | T717-L720 HydrophobicContact CG2-CD1 4.02Å; T717-L720 VanDerWaalsContact O-CB 3.26Å; T717-L720 WeakPolarHBondContact O-CB 3.38Å; T717-L720 PolarHBondContact O-N 2.82Å; A718-L720 PolarHBondContact O-N 2.86Å; L720-T724 HydrophobicContact CB-CG2 4.33Å; L720-T724 HydrophobicContact CD1-CG2 4.23Å; L720-R725 HydrophobicContact CB-CG 4.31Å; L720-R725 PolarHBondContact O-NE 3.09Å; L720-L728 HydrophobicContact CD1-CD1 3.99Å |
| 721 | P | 88.1 | Confident | 89.2 | Confident | 89 Ų | 89 | 68 Ų | 68 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | trans | -54 | 146.3 | 173.7 | -25.3 | 34.7 | 0 | 0 | 0 | 112.1 | A723 T724 R725 | P721-A723 PolarHBondContact O-N 3.21Å; P721-T724 WeakPolarHBondContact O-CA 3.39Å; P721-T724 VanDerWaalsContact O-CB 3.31Å; P721-T724 WeakPolarHBondContact O-CB 3.41Å; P721-T724 PolarHBondContact O-N 3.39Å; P721-R725 PolarHBondContact O-N 3.08Å | ||
| 722 | I | 86 | Confident | 89.5 | Confident | 104 Ų | 104 | 62.2 Ų | 62.2 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -52.6 | -52.7 | -173.9 | -64.5 | 170.1 | 0 | 0 | 0 | 111.4 | T724 R725 E726 | I722-T724 PolarHBondContact O-N 2.85Å; I722-T724 VanDerWaalsContact O-N 3.08Å; I722-R725 WeakPolarHBondContact O-CA 3.4Å; I722-R725 WeakPolarHBondContact O-CB 3.49Å; I722-R725 PolarHBondContact O-N 3.18Å; I722-E726 HydrophobicContact CG2-CG 4.28Å; I722-E726 VanDerWaalsContact CG2-OE1 3.28Å; I722-E726 WeakPolarHBondContact CG2-OE1 3.25Å; I722-E726 WeakPolarHBondContact O-CG 3.47Å; I722-E726 PolarHBondContact O-N 2.88Å |
| 723 | A | 85.8 | Confident | 89.5 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 56% | 0.562 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.2 | -26.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P721 E726 F727 | P721-A723 PolarHBondContact O-N 3.21Å; A723-E726 WeakPolarHBondContact CA-OE2 3.36Å; A723-F727 VanDerWaalsContact O-CB 3.27Å; A723-F727 WeakPolarHBondContact O-CB 3.34Å; A723-F727 PolarHBondContact O-N 3.01Å; A723-F727 VanDerWaalsContact O-N 3.16Å |
| 724 | T | 88.3 | Confident | 89.4 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 27% | 0.27 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -79.1 | -31.3 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | L720 P721 I722 L728 | L720-T724 HydrophobicContact CB-CG2 4.33Å; L720-T724 HydrophobicContact CD1-CG2 4.23Å; P721-T724 WeakPolarHBondContact O-CA 3.39Å; P721-T724 VanDerWaalsContact O-CB 3.31Å; P721-T724 WeakPolarHBondContact O-CB 3.41Å; P721-T724 PolarHBondContact O-N 3.39Å; I722-T724 PolarHBondContact O-N 2.85Å; I722-T724 VanDerWaalsContact O-N 3.08Å; T724-L728 HydrophobicContact CG2-CD1 4.23Å; T724-L728 WeakPolarHBondContact O-CB 3.2Å; T724-L728 WeakPolarHBondContact O-CD1 3.44Å; T724-L728 WeakPolarHBondContact O-CG 3.38Å; T724-L728 PolarHBondContact O-N 3.15Å |
| 725 | R | 90.6 | Very high | 89.5 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 30% | 0.302 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.1 | -51.7 | 171.6 | -59.4 | -171 | -126.9 | 139.2 | -4.8 | 110.5 | T717 A718 L720 P721 I722 F727 L728 E729 | T717-R725 WeakPolarHBondContact O-CD 3.39Å; T717-R725 WeakPolarHBondContact O-CG 3.43Å; A718-R725 PolarHBondContact O-NE 2.82Å; A718-R725 PolarHBondContact O-NH2 3.23Å; L720-R725 HydrophobicContact CB-CG 4.31Å; L720-R725 PolarHBondContact O-NE 3.09Å; P721-R725 PolarHBondContact O-N 3.08Å; I722-R725 WeakPolarHBondContact O-CA 3.4Å; I722-R725 WeakPolarHBondContact O-CB 3.49Å; I722-R725 PolarHBondContact O-N 3.18Å; R725-F727 VanDerWaalsContact C-N 3.35Å; R725-F727 PolarHBondContact O-N 3.38Å; R725-L728 CarbonylContact O-C 3.46Å; R725-L728 WeakPolarHBondContact O-CA 3.45Å; R725-L728 WeakPolarHBondContact O-CB 3.45Å; R725-L728 PolarHBondContact O-N 3.03Å; R725-E729 WeakPolarHBondContact O-CG 3.3Å; R725-E729 PolarHBondContact O-N 2.86Å |
| 726 | E | 89.1 | Confident | 89.7 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.4 | -47.3 | 178.9 | -67.3 | 165 | 163.2 | 0 | 0 | 111.9 | I722 A723 L728 E729 Q730 | I722-E726 HydrophobicContact CG2-CG 4.28Å; I722-E726 VanDerWaalsContact CG2-OE1 3.28Å; I722-E726 WeakPolarHBondContact CG2-OE1 3.25Å; I722-E726 WeakPolarHBondContact O-CG 3.47Å; I722-E726 PolarHBondContact O-N 2.88Å; A723-E726 WeakPolarHBondContact CA-OE2 3.36Å; E726-L728 VanDerWaalsContact C-N 3.33Å; E726-L728 PolarHBondContact O-N 3.41Å; E726-E729 PolarHBondContact O-N 3.42Å; E726-Q730 WeakPolarHBondContact O-CG 3.22Å; E726-Q730 PolarHBondContact O-N 3.13Å |
| 727 | F | 90.7 | Very high | 89.8 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57 | -43.9 | 173.2 | 175.8 | -90.9 | 0 | 0 | 0 | 112.5 | A723 R725 K731 | A723-F727 VanDerWaalsContact O-CB 3.27Å; A723-F727 WeakPolarHBondContact O-CB 3.34Å; A723-F727 PolarHBondContact O-N 3.01Å; A723-F727 VanDerWaalsContact O-N 3.16Å; R725-F727 VanDerWaalsContact C-N 3.35Å; R725-F727 PolarHBondContact O-N 3.38Å; F727-K731 HydrophobicContact CD1-CG 4.33Å; F727-K731 HydrophobicContact CE1-CG 3.92Å; F727-K731 HydrophobicContact CE2-CG 4.2Å; F727-K731 HydrophobicContact CZ-CD 4.5Å; F727-K731 HydrophobicContact CZ-CG 3.86Å; F727-K731 WeakPolarHBondContact O-CG 3.49Å; F727-K731 PolarHBondContact O-N 2.79Å |
| 728 | L | 92.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.9 | -36.2 | 178.7 | -70.7 | 168.9 | 0 | 0 | 0 | 112.4 | T717 L720 T724 R725 E726 K731 M732 I778 H782 | T717-L728 HydrophobicContact CG2-CD1 3.97Å; L720-L728 HydrophobicContact CD1-CD1 3.99Å; T724-L728 HydrophobicContact CG2-CD1 4.23Å; T724-L728 WeakPolarHBondContact O-CB 3.2Å; T724-L728 WeakPolarHBondContact O-CD1 3.44Å; T724-L728 WeakPolarHBondContact O-CG 3.38Å; T724-L728 PolarHBondContact O-N 3.15Å; R725-L728 CarbonylContact O-C 3.46Å; R725-L728 WeakPolarHBondContact O-CA 3.45Å; R725-L728 WeakPolarHBondContact O-CB 3.45Å; R725-L728 PolarHBondContact O-N 3.03Å; E726-L728 VanDerWaalsContact C-N 3.33Å; E726-L728 PolarHBondContact O-N 3.41Å; L728-K731 PolarHBondContact O-N 2.91Å; L728-M732 VanDerWaalsContact O-CB 3.3Å; L728-M732 WeakPolarHBondContact O-CB 3.23Å; L728-M732 WeakPolarHBondContact O-CG 3.23Å; L728-M732 PolarHBondContact O-N 3.29Å; L728-I778 HydrophobicContact CD2-CG1 4.44Å; L728-I778 HydrophobicContact CD2-CG2 3.82Å; L728-H782 HydrophobicContact CD1-CB 4.11Å; L728-H782 HydrophobicContact CD2-CB 3.67Å |
| 729 | E | 90.9 | Very high | 90.1 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 174.8 | -68.1 | -176.6 | -160.3 | 0 | 0 | 110.8 | I710 L713 R714 R725 E726 K731 M732 Q733 | I710-E729 HydrophobicContact CD1-CB 4.09Å; I710-E729 HydrophobicContact CD1-CG 3.58Å; L713-E729 HydrophobicContact CD2-CG 4.13Å; R714-E729 WeakPolarHBondContact CG-OE1 3.36Å; R714-E729 IonicContact CZ-OE1 3.59Å; R714-E729 IonicContact CZ-OE2 3.4Å; R714-E729 VanDerWaalsContact CZ-OE2 3.3Å; R714-E729 VanDerWaalsContact NE-CD 3.29Å; R714-E729 IonicContact NE-OE1 2.7Å; R714-E729 PolarHBondContact NE-OE1 2.68Å; R714-E729 IonicContact NE-OE2 3.17Å; R714-E729 PolarHBondContact NE-OE2 3.01Å; R714-E729 IonicContact NH2-OE2 2.85Å; R714-E729 PolarHBondContact NH2-OE2 3.31Å; R725-E729 WeakPolarHBondContact O-CG 3.3Å; R725-E729 PolarHBondContact O-N 2.86Å; E726-E729 PolarHBondContact O-N 3.42Å; E729-K731 PolarHBondContact O-N 3.35Å; E729-M732 CarbonylContact O-C 3.47Å; E729-M732 PolarHBondContact O-N 2.92Å; E729-Q733 PolarHBondContact O-N 3.45Å |
| 730 | Q | 90.8 | Very high | 90.4 | Very high | 123 Ų | 123 | 56.4 Ų | 56.4 | 58% | 0.575 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.4 | -43.6 | 174.8 | -69.6 | 173 | 6.8 | 0 | 0 | 112.5 | E726 M732 Q733 L734 | E726-Q730 WeakPolarHBondContact O-CG 3.22Å; E726-Q730 PolarHBondContact O-N 3.13Å; Q730-M732 VanDerWaalsContact C-N 3.32Å; Q730-M732 PolarHBondContact O-N 3.49Å; Q730-Q733 PolarHBondContact O-N 3.15Å; Q730-L734 PolarHBondContact O-N 3.33Å |
| 731 | K | 93.1 | Very high | 90.5 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 30% | 0.3 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.2 | -23.8 | 176.8 | -64.1 | -42.3 | -169.7 | -173.4 | 0 | 113.2 | F727 L728 E729 L734 Y735 C776 I778 | F727-K731 HydrophobicContact CD1-CG 4.33Å; F727-K731 HydrophobicContact CE1-CG 3.92Å; F727-K731 HydrophobicContact CE2-CG 4.2Å; F727-K731 HydrophobicContact CZ-CD 4.5Å; F727-K731 HydrophobicContact CZ-CG 3.86Å; F727-K731 WeakPolarHBondContact O-CG 3.49Å; F727-K731 PolarHBondContact O-N 2.79Å; L728-K731 PolarHBondContact O-N 2.91Å; E729-K731 PolarHBondContact O-N 3.35Å; K731-L734 PolarHBondContact O-N 3.12Å; K731-Y735 PolarHBondContact O-N 3.06Å; K731-Y735 VanDerWaalsContact O-N 3.09Å; K731-C776 HydrophobicContact CB-CB 4.46Å; K731-C776 VanDerWaalsContact CD-O 3.24Å; K731-C776 WeakPolarHBondContact CD-O 3.49Å; K731-C776 WeakPolarHBondContact CG-O 3.4Å; K731-I778 HydrophobicContact CB-CD1 3.73Å; K731-I778 HydrophobicContact CB-CG1 3.56Å; K731-I778 HydrophobicContact CG-CG1 4.15Å |
| 732 | M | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -80.5 | -29.4 | 173.5 | -71.5 | -67.9 | -60.4 | 0 | 0 | 112.8 | Y708 L713 L728 E729 Q730 L734 Y735 C736 L772 I778 C786 | Y708-M732 VanDerWaalsContact CB-CE 3.5Å; Y708-M732 HydrophobicContact CD1-CB 4.38Å; Y708-M732 HydrophobicContact CD1-CE 4.08Å; Y708-M732 HydrophobicContact CD2-CB 4.05Å; Y708-M732 HydrophobicContact CD2-CE 3.8Å; Y708-M732 HydrophobicContact CE1-CB 4.06Å; Y708-M732 WeakPolarHBondContact CE1-O 3.25Å; Y708-M732 HydrophobicContact CE2-CB 3.67Å; Y708-M732 HydrophobicContact CG-CB 4.39Å; Y708-M732 HydrophobicContact CG-CE 3.52Å; L713-M732 HydrophobicContact CD2-CB 3.97Å; L713-M732 HydrophobicContact CD2-CG 3.72Å; L728-M732 VanDerWaalsContact O-CB 3.3Å; L728-M732 WeakPolarHBondContact O-CB 3.23Å; L728-M732 WeakPolarHBondContact O-CG 3.23Å; L728-M732 PolarHBondContact O-N 3.29Å; E729-M732 CarbonylContact O-C 3.47Å; E729-M732 PolarHBondContact O-N 2.92Å; Q730-M732 VanDerWaalsContact C-N 3.32Å; Q730-M732 PolarHBondContact O-N 3.49Å; M732-L734 VanDerWaalsContact C-N 3.25Å; M732-L734 PolarHBondContact O-N 2.78Å; M732-Y735 HydrophobicContact CE-CD1 3.65Å; M732-Y735 HydrophobicContact CE-CE1 4.05Å; M732-Y735 HydrophobicContact CE-CG 4.2Å; M732-Y735 WeakPolarHBondContact O-CB 3.29Å; M732-Y735 PolarHBondContact O-N 2.97Å; M732-Y735 VanDerWaalsContact O-N 3.14Å; M732-Y735 HydrophobicContact SD-CD1 4.21Å; M732-Y735 HydrophobicContact SD-CG 4.15Å; M732-C736 PolarHBondContact O-N 3.31Å; M732-L772 HydrophobicContact SD-CD2 3.77Å; M732-I778 HydrophobicContact CG-CD1 4.44Å; M732-I778 HydrophobicContact SD-CD1 4.11Å; M732-C786 HydrophobicContact CE-CB 4.44Å; M732-C786 HydrophobicContact SD-CB 3.71Å |
| 733 | Q | 89.6 | Confident | 90.6 | Very high | 85 Ų | 85 | 48.7 Ų | 48.7 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -29.9 | 165.6 | -71.8 | 176.4 | -16.9 | 0 | 0 | 112.7 | E729 Q730 C736 | E729-Q733 PolarHBondContact O-N 3.45Å; Q730-Q733 PolarHBondContact O-N 3.15Å; Q733-C736 PolarHBondContact O-SG 2.93Å |
| 734 | L | 90.1 | Very high | 90.5 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 37% | 0.372 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72 | -44.9 | 167.9 | 179.6 | 56.9 | 0 | 0 | 0 | 111 | Q730 K731 M732 C736 R737 | Q730-L734 PolarHBondContact O-N 3.33Å; K731-L734 PolarHBondContact O-N 3.12Å; M732-L734 VanDerWaalsContact C-N 3.25Å; M732-L734 PolarHBondContact O-N 2.78Å; L734-C736 VanDerWaalsContact C-N 3.34Å; L734-C736 PolarHBondContact O-N 3.47Å; L734-R737 PolarHBondContact O-N 2.93Å; L734-R737 VanDerWaalsContact O-N 3.15Å |
| 735 | Y | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.1 | -41.4 | 179.7 | 176.4 | -94.2 | 0 | 0 | 0 | 113.7 | L706 K731 M732 R737 L738 R768 I771 L772 | L706-Y735 HydrophobicContact CB-CD1 4.17Å; L706-Y735 HydrophobicContact CB-CE1 3.73Å; L706-Y735 HydrophobicContact CB-CE2 4.48Å; L706-Y735 HydrophobicContact CD1-CD2 4.49Å; L706-Y735 HydrophobicContact CD1-CE2 4.02Å; L706-Y735 VanDerWaalsContact O-CD1 3.31Å; L706-Y735 WeakPolarHBondContact O-CD1 3.27Å; L706-Y735 WeakPolarHBondContact O-CE1 3.46Å; K731-Y735 PolarHBondContact O-N 3.06Å; K731-Y735 VanDerWaalsContact O-N 3.09Å; M732-Y735 HydrophobicContact CE-CD1 3.65Å; M732-Y735 HydrophobicContact CE-CE1 4.05Å; M732-Y735 HydrophobicContact CE-CG 4.2Å; M732-Y735 WeakPolarHBondContact O-CB 3.29Å; M732-Y735 PolarHBondContact O-N 2.97Å; M732-Y735 VanDerWaalsContact O-N 3.14Å; M732-Y735 HydrophobicContact SD-CD1 4.21Å; M732-Y735 HydrophobicContact SD-CG 4.15Å; Y735-R737 PolarHBondContact O-N 3.26Å; Y735-L738 WeakPolarHBondContact O-CB 3.34Å; Y735-L738 PolarHBondContact O-N 2.89Å; Y735-L738 VanDerWaalsContact O-N 3.08Å; Y735-R768 PolarHBondContact OH-NE 3.3Å; Y735-R768 PolarHBondContact OH-NH2 3.4Å; Y735-I771 HydrophobicContact CD2-CG2 3.89Å; Y735-I771 HydrophobicContact CE2-CG2 4.15Å; Y735-L772 HydrophobicContact CD2-CD2 3.42Å; Y735-L772 VanDerWaalsContact CD2-CD2 3.42Å; Y735-L772 HydrophobicContact CD2-CG 3.93Å; Y735-L772 HydrophobicContact CE2-CD2 3.68Å; Y735-L772 HydrophobicContact CE2-CG 3.78Å; Y735-L772 HydrophobicContact CG-CD2 4.08Å |
| 736 | C | 91.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -21.4 | -179.3 | 69.9 | 0 | 0 | 0 | 0 | 114.6 | M689 L706 Y708 M732 Q733 L734 L738 | M689-C736 HydrophobicContact SD-CB 3.74Å; L706-C736 WeakPolarHBondContact O-CA 3.5Å; Y708-C736 HydrophobicContact CD1-CB 3.94Å; Y708-C736 HydrophobicContact CE1-CB 3.92Å; M732-C736 PolarHBondContact O-N 3.31Å; Q733-C736 PolarHBondContact O-SG 2.93Å; L734-C736 VanDerWaalsContact C-N 3.34Å; L734-C736 PolarHBondContact O-N 3.47Å; C736-L738 VanDerWaalsContact C-N 3.28Å |
| 737 | R | 88.7 | Confident | 87.4 | Confident | 180 Ų | 180 | 46.7 Ų | 46.7 | 68% | 0.679 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.1 | 175.9 | -59.2 | 176.8 | -173.9 | -175.2 | 1 | 112.4 | L734 Y735 | L734-R737 PolarHBondContact O-N 2.93Å; L734-R737 VanDerWaalsContact O-N 3.15Å; Y735-R737 PolarHBondContact O-N 3.26Å |
| 738 | L | 92.4 | Very high | 86.2 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | trans | -95.1 | 165.4 | -179.8 | -54.4 | 177.2 | 0 | 0 | 0 | 111.3 | L706 Y735 C736 I771 H775 | L706-L738 HydrophobicContact CD1-CB 4.25Å; L706-L738 PolarHBondContact N-O 2.94Å; Y735-L738 WeakPolarHBondContact O-CB 3.34Å; Y735-L738 PolarHBondContact O-N 2.89Å; Y735-L738 VanDerWaalsContact O-N 3.08Å; C736-L738 VanDerWaalsContact C-N 3.28Å; L738-I771 HydrophobicContact CB-CG2 4.13Å; L738-I771 HydrophobicContact CD1-CG2 3.56Å; L738-I771 HydrophobicContact CG-CG2 4.49Å; L738-H775 HydrophobicContact CD1-CB 3.67Å | ||
| 739 | S | 91.8 | Very high | 85.6 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 158.4 | -172.6 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | R703 I704 N754 H755 | R703-S739 PolarHBondContact NE-OG 2.92Å; R703-S739 PolarHBondContact NH2-OG 3.34Å; R703-S739 VanDerWaalsContact NH2-OG 3.15Å; I704-S739 VanDerWaalsContact O-CA 3.28Å; I704-S739 WeakPolarHBondContact O-CA 3.44Å; I704-S739 VanDerWaalsContact O-CB 3.23Å; I704-S739 WeakPolarHBondContact O-CB 3.29Å; S739-N754 WeakPolarHBondContact O-CB 3.14Å; S739-N754 PolarHBondContact O-N 3.44Å; S739-N754 WeakPolarHBondContact OG-CB 3.38Å; S739-N754 PolarHBondContact OG-OD1 2.97Å; S739-H755 PolarHBondContact N-NE2 2.99Å |
| 740 | V | 92.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.4 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | I704 L706 Y751 K752 L764 V767 I771 | I704-V740 PolarHBondContact N-O 3.05Å; I704-V740 PolarHBondContact O-N 2.99Å; L706-V740 HydrophobicContact CD1-CG2 4.26Å; L706-V740 HydrophobicContact CD2-CG2 4.11Å; V740-Y751 HydrophobicContact CG1-CD1 4.47Å; V740-K752 WeakPolarHBondContact CA-O 3.23Å; V740-K752 WeakPolarHBondContact CG1-O 3.24Å; V740-L764 HydrophobicContact CB-CD1 3.93Å; V740-L764 HydrophobicContact CG1-CD1 3.64Å; V740-L764 HydrophobicContact CG2-CD1 3.97Å; V740-V767 HydrophobicContact CG1-CB 4.43Å; V740-V767 HydrophobicContact CG1-CG1 4.14Å; V740-V767 HydrophobicContact CG2-CB 4.29Å; V740-V767 HydrophobicContact CG2-CG1 3.74Å; V740-I771 HydrophobicContact CG2-CD1 3.72Å |
| 741 | I | 90.7 | Very high | 85.2 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 18% | 0.179 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.5 | 168.6 | -59.3 | 172.4 | 0 | 0 | 0 | 107.9 | L697 K752 N754 | L697-I741 HydrophobicContact CD1-CD1 4.24Å; L697-I741 HydrophobicContact CD1-CG1 4.22Å; L697-I741 HydrophobicContact CD1-CG2 4.4Å; I741-K752 HydrophobicContact CB-CB 4.32Å; I741-K752 PolarHBondContact N-O 3.43Å; I741-K752 PolarHBondContact O-N 3.42Å; I741-N754 HydrophobicContact CG1-CB 4.39Å |
| 742 | V | 90 | Very high | 85.1 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.9 | 164.4 | -172.1 | 0 | 0 | 0 | 0 | 107.6 | R701 R702 I704 T744 Y751 | R701-V742 WeakPolarHBondContact CA-O 3.48Å; R702-V742 PolarHBondContact N-O 2.97Å; R702-V742 PolarHBondContact O-N 2.97Å; I704-V742 HydrophobicContact CD1-CG2 3.28Å; I704-V742 HydrophobicContact CG1-CG2 4.02Å; V742-T744 HydrophobicContact CG1-CG2 3.83Å; V742-Y751 HydrophobicContact CG1-CD1 4.4Å; V742-Y751 HydrophobicContact CG1-CE1 4.14Å; V742-Y751 HydrophobicContact CG2-CD1 3.69Å; V742-Y751 HydrophobicContact CG2-CE1 3.73Å |
| 743 | D | 87.1 | Confident | 85.1 | Confident | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.9 | 170.6 | -143.2 | -16.3 | 0 | 0 | 0 | 106.6 | R701 R749 R750 K752 | R701-D743 WeakPolarHBondContact CG-OD1 3.23Å; R701-D743 IonicContact CZ-OD1 3.47Å; R701-D743 IonicContact CZ-OD2 2.84Å; R701-D743 IonicContact NE-OD1 2.73Å; R701-D743 PolarHBondContact NE-OD1 3.38Å; R701-D743 IonicContact NE-OD2 3.39Å; R701-D743 PolarHBondContact NE-OD2 2.73Å; R701-D743 VanDerWaalsContact NE-OD2 3.08Å; R701-D743 IonicContact NH2-OD1 3.63Å; R701-D743 IonicContact NH2-OD2 3.39Å; R701-D743 PolarHBondContact NH2-OD2 2.9Å; D743-R749 CarbonylContact O-C 3.52Å; D743-R749 WeakPolarHBondContact O-CA 3.22Å; D743-R750 HydrophobicContact CB-CB 4.43Å; D743-R750 PolarHBondContact N-O 3.3Å; D743-R750 PolarHBondContact O-N 3.48Å; D743-K752 HydrophobicContact CB-CD 4.47Å; D743-K752 IonicContact OD2-NZ 2.85Å; D743-K752 PolarHBondContact OD2-NZ 3.48Å |
| 744 | T | 83.1 | Confident | 85.1 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 34% | 0.337 | 24% | 0.236 | S | C | . | . | trans | -118.3 | 14.5 | 175.6 | 77.9 | 0 | 0 | 0 | 0 | 111.7 | G700 V742 G747 F748 R749 | G700-T744 WeakPolarHBondContact CA-OG1 3.28Å; G700-T744 PolarHBondContact O-N 3Å; G700-T744 PolarHBondContact O-OG1 3.17Å; V742-T744 HydrophobicContact CG1-CG2 3.83Å; T744-G747 PolarHBondContact O-N 2.89Å; T744-F748 WeakPolarHBondContact CA-O 3.15Å; T744-R749 HydrophobicContact CG2-CG 4.05Å | ||
| 745 | R | 72.3 | Confident | 85 | Confident | 110 Ų | 110 | 48.7 Ų | 48.7 | 42% | 0.415 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -74.7 | 135.9 | 178 | -70 | -177.4 | 162.9 | 172.2 | -3.3 | 110.6 | E698 I699 | E698-R745 IonicContact OE1-NH1 3.22Å; E698-R745 IonicContact OE2-CZ 2.75Å; E698-R745 IonicContact OE2-NH1 3.03Å; E698-R745 PolarHBondContact OE2-NH1 2.97Å; E698-R745 IonicContact OE2-NH2 3.5Å; E698-R745 PolarHBondContact OE2-NH2 3.38Å; I699-R745 PolarHBondContact O-NE 3.19Å; I699-R745 PolarHBondContact O-NH2 3.38Å; I699-R745 VanDerWaalsContact O-NH2 3.12Å |
| 746 | G | 62.2 | Low | 84.8 | Confident | 56 Ų | 56 | 51 Ų | 51 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 54.2 | 59.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | F748 P932 | G746-F748 PolarHBondContact O-N 3.42Å; G746-P932 VanDerWaalsContact C-CG 3.45Å; G746-P932 WeakPolarHBondContact O-CG 3.43Å |
| 747 | G | 66.9 | Low | 84.6 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 49 | -26.5 | 171 | 0 | 0 | 0 | 0 | 0 | 121.5 | T744 S930 P932 | T744-G747 PolarHBondContact O-N 2.89Å; G747-S930 WeakPolarHBondContact CA-O 3.44Å; G747-P932 VanDerWaalsContact C-CD 3.42Å |
| 748 | F | 65.5 | Low | 84.6 | Confident | 44 Ų | 44 | 52.3 Ų | 52.3 | 19% | 0.193 | 28% | 0.275 | C | S | . | . | trans | -74.4 | 129.6 | 178.3 | -63.5 | -58.5 | 0 | 0 | 0 | 111.8 | T744 G746 R750 I931 P932 Q1006 | T744-F748 WeakPolarHBondContact CA-O 3.15Å; G746-F748 PolarHBondContact O-N 3.42Å; F748-R750 HydrophobicContact CB-CG 3.97Å; F748-R750 PolarHBondContact O-N 3.06Å; F748-I931 HydrophobicContact CE1-CG2 4.35Å; F748-P932 HydrophobicContact CD1-CG 4.03Å; F748-P932 HydrophobicContact CD2-CB 4.14Å; F748-P932 HydrophobicContact CD2-CG 3.65Å; F748-P932 HydrophobicContact CE1-CB 3.99Å; F748-P932 HydrophobicContact CE1-CG 3.89Å; F748-P932 WeakPolarHBondContact CE1-O 3.36Å; F748-P932 HydrophobicContact CE2-CB 3.5Å; F748-P932 HydrophobicContact CE2-CG 3.55Å; F748-P932 HydrophobicContact CG-CG 3.88Å; F748-P932 HydrophobicContact CZ-CB 3.39Å; F748-P932 HydrophobicContact CZ-CG 3.65Å; F748-P932 WeakPolarHBondContact CZ-O 3.43Å; F748-Q1006 VanDerWaalsContact CE1-NE2 3.27Å; F748-Q1006 HydrophobicContact CZ-CG 4.46Å | ||
| 749 | R | 80.2 | Confident | 84.4 | Confident | 147 Ų | 147 | 54.6 Ų | 54.6 | 56% | 0.555 | 29% | 0.292 | S | S | * | . | trans | -74.9 | 84 | 164.4 | -61.7 | -168.5 | 177 | -163.5 | -0.3 | 110.7 | D743 T744 Y751 | D743-R749 CarbonylContact O-C 3.52Å; D743-R749 WeakPolarHBondContact O-CA 3.22Å; T744-R749 HydrophobicContact CG2-CG 4.05Å; R749-Y751 HydrophobicContact CB-CE2 4.35Å; R749-Y751 WeakPolarHBondContact O-CE2 3.4Å | ||
| 750 | R | 84.6 | Confident | 84.2 | Confident | 87 Ų | 87 | 54.6 Ų | 54.6 | 33% | 0.328 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.4 | 173.7 | -62.2 | -174.9 | -178.4 | -171.4 | 3 | 109.7 | D743 F748 D1008 | D743-R750 HydrophobicContact CB-CB 4.43Å; D743-R750 PolarHBondContact N-O 3.3Å; D743-R750 PolarHBondContact O-N 3.48Å; F748-R750 HydrophobicContact CB-CG 3.97Å; F748-R750 PolarHBondContact O-N 3.06Å; R750-D1008 IonicContact CZ-OD2 3.85Å; R750-D1008 IonicContact NH1-OD2 3.95Å; R750-D1008 PolarHBondContact NH1-OD2 3.05Å; R750-D1008 IonicContact NH2-OD2 2.74Å; R750-D1008 PolarHBondContact NH2-OD2 3.23Å |
| 751 | Y | 90.5 | Very high | 83.7 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 11% | 0.114 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.2 | 176.4 | -57.8 | -89.1 | 0 | 0 | 0 | 110.2 | V740 V742 R749 S759 S760 L764 | V740-Y751 HydrophobicContact CG1-CD1 4.47Å; V742-Y751 HydrophobicContact CG1-CD1 4.4Å; V742-Y751 HydrophobicContact CG1-CE1 4.14Å; V742-Y751 HydrophobicContact CG2-CD1 3.69Å; V742-Y751 HydrophobicContact CG2-CE1 3.73Å; R749-Y751 HydrophobicContact CB-CE2 4.35Å; R749-Y751 WeakPolarHBondContact O-CE2 3.4Å; Y751-S759 CarbonylContact O-C 3.48Å; Y751-S759 WeakPolarHBondContact O-CA 3.43Å; Y751-S759 VanDerWaalsContact O-CB 3.29Å; Y751-S759 WeakPolarHBondContact O-CB 3.3Å; Y751-S760 WeakPolarHBondContact CB-O 3.06Å; Y751-S760 PolarHBondContact N-O 2.98Å; Y751-S760 PolarHBondContact O-N 3.39Å; Y751-L764 HydrophobicContact CD1-CB 3.71Å; Y751-L764 HydrophobicContact CD1-CD1 3.98Å; Y751-L764 HydrophobicContact CD1-CG 4.37Å; Y751-L764 HydrophobicContact CE1-CB 3.65Å; Y751-L764 HydrophobicContact CE1-CD1 4.44Å; Y751-L764 HydrophobicContact CE1-CG 4.44Å; Y751-L764 HydrophobicContact CG-CB 4.34Å |
| 752 | K | 90.9 | Very high | 82.9 | Confident | 65 Ų | 65 | 62 Ų | 62 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 137.9 | -176.2 | -61 | 175.4 | 174.3 | 176.3 | 0 | 110.7 | V740 I741 D743 | V740-K752 WeakPolarHBondContact CA-O 3.23Å; V740-K752 WeakPolarHBondContact CG1-O 3.24Å; I741-K752 HydrophobicContact CB-CB 4.32Å; I741-K752 PolarHBondContact N-O 3.43Å; I741-K752 PolarHBondContact O-N 3.42Å; D743-K752 HydrophobicContact CB-CD 4.47Å; D743-K752 IonicContact OD2-NZ 2.85Å; D743-K752 PolarHBondContact OD2-NZ 3.48Å |
| 753 | C | 92.8 | Very high | 82.6 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.054 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 139.4 | 168.6 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | H755 C756 Y758 V767 | C753-H755 PolarHBondContact O-N 3.2Å; C753-H755 PolarHBondContact SG-N 3.11Å; C753-H755 VanDerWaalsContact SG-N 3.4Å; C753-C756 WeakPolarHBondContact CB-SG 3.42Å; C753-C756 VanDerWaalsContact SG-SG 3.6Å; C753-Y758 PolarHBondContact N-O 3.35Å; C753-V767 HydrophobicContact CB-CG1 4Å |
| 754 | N | 90.1 | Very high | 82.7 | Confident | 54 Ų | 54 | 64 Ų | 64 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -78.6 | -10.2 | 173.1 | -162.4 | 117.6 | 0 | 0 | 0 | 112 | R703 S739 I741 | R703-N754 PolarHBondContact NE-OD1 3.09Å; S739-N754 WeakPolarHBondContact O-CB 3.14Å; S739-N754 PolarHBondContact O-N 3.44Å; S739-N754 WeakPolarHBondContact OG-CB 3.38Å; S739-N754 PolarHBondContact OG-OD1 2.97Å; I741-N754 HydrophobicContact CG1-CB 4.39Å |
| 755 | H | 88.4 | Confident | 83 | Confident | 76 Ų | 76 | 63.3 Ų | 63.3 | 35% | 0.352 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -120.9 | -0.1 | -166.1 | -60.4 | -77.3 | 0 | 0 | 0 | 113.6 | S739 C753 H775 | S739-H755 PolarHBondContact N-NE2 2.99Å; C753-H755 PolarHBondContact O-N 3.2Å; C753-H755 PolarHBondContact SG-N 3.11Å; C753-H755 VanDerWaalsContact SG-N 3.4Å; H755-H775 PolarHBondContact O-CE1 3.42Å; H755-H775 VanDerWaalsContact O-CE1 3.27Å |
| 756 | C | 88 | Confident | 83.9 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -163.4 | 173.5 | 175 | 71 | 0 | 0 | 0 | 0 | 110.4 | C753 Y758 H770 H775 | C753-C756 WeakPolarHBondContact CB-SG 3.42Å; C753-C756 VanDerWaalsContact SG-SG 3.6Å; C756-Y758 PolarHBondContact O-N 3.19Å; C756-Y758 VanDerWaalsContact SG-CB 3.51Å; C756-Y758 PolarHBondContact SG-N 3.11Å; C756-Y758 VanDerWaalsContact SG-N 3.44Å; C756-H770 PolarHBondContact SG-NE2 2.67Å; C756-H775 PolarHBondContact SG-NE2 3.26Å; C756-H775 VanDerWaalsContact SG-NE2 3.45Å |
| 757 | S | 87.6 | Confident | 85.3 | Confident | 128 Ų | 128 | 57 Ų | 57 | 90% | 0.895 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -73.1 | 2.7 | 178.6 | 54.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 758 | Y | 89.2 | Confident | 86.5 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | trans | -69.3 | 132.6 | 179.8 | -175.4 | -92.6 | 0 | 0 | 0 | 112.1 | C753 C756 V767 H770 | C753-Y758 PolarHBondContact N-O 3.35Å; C756-Y758 PolarHBondContact O-N 3.19Å; C756-Y758 VanDerWaalsContact SG-CB 3.51Å; C756-Y758 PolarHBondContact SG-N 3.11Å; C756-Y758 VanDerWaalsContact SG-N 3.44Å; Y758-V767 HydrophobicContact CD1-CG1 4.45Å; Y758-V767 HydrophobicContact CD1-CG2 4.3Å; Y758-V767 HydrophobicContact CE1-CB 4.49Å; Y758-V767 HydrophobicContact CE1-CG2 4.14Å; Y758-H770 HydrophobicContact CD1-CB 3.63Å; Y758-H770 AromaticContact CD1-CG 3.59Å; Y758-H770 AromaticContact CD1-ND1 3.96Å; Y758-H770 HydrophobicContact CD2-CB 4.49Å; Y758-H770 AromaticContact CD2-CG 4Å; Y758-H770 AromaticContact CD2-ND1 3.49Å; Y758-H770 WeakPolarHBondContact CD2-ND1 3.18Å; Y758-H770 HydrophobicContact CE1-CB 3.68Å; Y758-H770 HydrophobicContact CG-CB 4.06Å; Y758-H770 AromaticContact CG-CD2 3.98Å; Y758-H770 AromaticContact CG-CE1 3.84Å; Y758-H770 AromaticContact CG-CG 3.53Å; Y758-H770 AromaticContact CG-ND1 3.44Å | ||
| 759 | S | 88.1 | Confident | 87.9 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 46% | 0.462 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.4 | 172.9 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | Y751 | Y751-S759 CarbonylContact O-C 3.48Å; Y751-S759 WeakPolarHBondContact O-CA 3.43Å; Y751-S759 VanDerWaalsContact O-CB 3.29Å; Y751-S759 WeakPolarHBondContact O-CB 3.3Å |
| 760 | S | 87.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.8 | 172 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | Y751 H762 D766 | Y751-S760 WeakPolarHBondContact CB-O 3.06Å; Y751-S760 PolarHBondContact N-O 2.98Å; Y751-S760 PolarHBondContact O-N 3.39Å; S760-H762 VanDerWaalsContact C-N 3.28Å; S760-H762 PolarHBondContact OG-N 3.24Å; S760-H762 VanDerWaalsContact OG-N 3.16Å; S760-D766 PolarHBondContact OG-OD2 3.11Å |
| 761 | P | 81.8 | Confident | 88.9 | Confident | 66 Ų | 66 | 49.1 Ų | 49.1 | 43% | 0.429 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -78.8 | -12.8 | 168.8 | 33.5 | -34.8 | 0 | 0 | 0 | 112.5 | I1011 | P761-I1011 HydrophobicContact CB-CD1 4.24Å; P761-I1011 HydrophobicContact CG-CD1 3.72Å; P761-I1011 HydrophobicContact CG-CG1 4.26Å |
| 762 | H | 73.8 | Confident | 89.1 | Confident | 126 Ų | 126 | 47.8 Ų | 47.8 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -86.2 | -49.5 | -170.8 | -60.1 | -64.3 | 0 | 0 | 0 | 113.4 | S760 | S760-H762 VanDerWaalsContact C-N 3.28Å; S760-H762 PolarHBondContact OG-N 3.24Å; S760-H762 VanDerWaalsContact OG-N 3.16Å |
| 763 | A | 84.7 | Confident | 89.2 | Confident | 33 Ų | 33 | 46 Ų | 46 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | trans | -161 | 142.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A765 D766 | A763-A765 HydrophobicContact CB-CB 4.16Å; A763-A765 PolarHBondContact O-N 3.37Å; A763-A765 VanDerWaalsContact O-N 3.12Å; A763-D766 PolarHBondContact O-N 3.35Å | ||
| 764 | L | 88.5 | Confident | 89.1 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -50.1 | -33.2 | 164 | -179.8 | 54.5 | 0 | 0 | 0 | 112.3 | I704 V740 Y751 D766 V767 R768 L792 F797 | I704-L764 HydrophobicContact CD1-CD1 4.49Å; I704-L764 HydrophobicContact CD1-CD2 4.14Å; V740-L764 HydrophobicContact CB-CD1 3.93Å; V740-L764 HydrophobicContact CG1-CD1 3.64Å; V740-L764 HydrophobicContact CG2-CD1 3.97Å; Y751-L764 HydrophobicContact CD1-CB 3.71Å; Y751-L764 HydrophobicContact CD1-CD1 3.98Å; Y751-L764 HydrophobicContact CD1-CG 4.37Å; Y751-L764 HydrophobicContact CE1-CB 3.65Å; Y751-L764 HydrophobicContact CE1-CD1 4.44Å; Y751-L764 HydrophobicContact CE1-CG 4.44Å; Y751-L764 HydrophobicContact CG-CB 4.34Å; L764-D766 VanDerWaalsContact C-N 3.27Å; L764-D766 PolarHBondContact O-N 3.05Å; L764-V767 PolarHBondContact O-N 3.44Å; L764-R768 HydrophobicContact CD1-CG 4.34Å; L764-R768 HydrophobicContact CG-CG 4.5Å; L764-R768 WeakPolarHBondContact O-CB 3.31Å; L764-R768 VanDerWaalsContact O-CG 3.27Å; L764-R768 WeakPolarHBondContact O-CG 3.15Å; L764-R768 PolarHBondContact O-N 3.14Å; L764-L792 HydrophobicContact CD2-CD1 4.33Å; L764-F797 HydrophobicContact CD2-CD1 3.86Å; L764-F797 HydrophobicContact CD2-CE1 4.13Å |
| 765 | A | 89.2 | Confident | 89.1 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -31.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A763 K769 | A763-A765 HydrophobicContact CB-CB 4.16Å; A763-A765 PolarHBondContact O-N 3.37Å; A763-A765 VanDerWaalsContact O-N 3.12Å; A765-K769 VanDerWaalsContact O-CG 3.28Å; A765-K769 WeakPolarHBondContact O-CG 3.48Å; A765-K769 PolarHBondContact O-N 2.95Å |
| 766 | D | 90.8 | Very high | 89.3 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -80.7 | -39 | -177.5 | -60.6 | -38.6 | 0 | 0 | 0 | 112.3 | S760 A763 L764 R768 K769 H770 | S760-D766 PolarHBondContact OG-OD2 3.11Å; A763-D766 PolarHBondContact O-N 3.35Å; L764-D766 VanDerWaalsContact C-N 3.27Å; L764-D766 PolarHBondContact O-N 3.05Å; D766-R768 PolarHBondContact O-N 3.12Å; D766-K769 PolarHBondContact O-N 2.81Å; D766-K769 IonicContact OD1-NZ 2.93Å; D766-K769 PolarHBondContact OD1-NZ 3.13Å; D766-H770 PolarHBondContact O-N 2.87Å |
| 767 | V | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -36.3 | 170 | -172 | 0 | 0 | 0 | 0 | 110.1 | V740 C753 Y758 L764 H770 I771 | V740-V767 HydrophobicContact CG1-CB 4.43Å; V740-V767 HydrophobicContact CG1-CG1 4.14Å; V740-V767 HydrophobicContact CG2-CB 4.29Å; V740-V767 HydrophobicContact CG2-CG1 3.74Å; C753-V767 HydrophobicContact CB-CG1 4Å; Y758-V767 HydrophobicContact CD1-CG1 4.45Å; Y758-V767 HydrophobicContact CD1-CG2 4.3Å; Y758-V767 HydrophobicContact CE1-CB 4.49Å; Y758-V767 HydrophobicContact CE1-CG2 4.14Å; L764-V767 PolarHBondContact O-N 3.44Å; V767-H770 WeakPolarHBondContact O-CB 3.16Å; V767-H770 PolarHBondContact O-N 3.27Å; V767-I771 HydrophobicContact CG1-CD1 4.09Å; V767-I771 VanDerWaalsContact O-CG1 3.29Å; V767-I771 WeakPolarHBondContact O-CG1 3.4Å; V767-I771 PolarHBondContact O-N 2.92Å |
| 768 | R | 93.8 | Very high | 89.6 | Confident | 15 Ų | 15 | 40 Ų | 40 | 6% | 0.057 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -39.3 | 174.3 | -71.8 | 171.4 | 51.2 | 171.3 | -4.6 | 113.8 | L706 Y735 L764 D766 H770 I771 L772 L787 S790 | L706-R768 HydrophobicContact CD2-CG 3.87Å; Y735-R768 PolarHBondContact OH-NE 3.3Å; Y735-R768 PolarHBondContact OH-NH2 3.4Å; L764-R768 HydrophobicContact CD1-CG 4.34Å; L764-R768 HydrophobicContact CG-CG 4.5Å; L764-R768 WeakPolarHBondContact O-CB 3.31Å; L764-R768 VanDerWaalsContact O-CG 3.27Å; L764-R768 WeakPolarHBondContact O-CG 3.15Å; L764-R768 PolarHBondContact O-N 3.14Å; D766-R768 PolarHBondContact O-N 3.12Å; R768-H770 VanDerWaalsContact C-N 3.31Å; R768-I771 PolarHBondContact O-N 2.58Å; R768-L772 VanDerWaalsContact O-CG 3.31Å; R768-L772 WeakPolarHBondContact O-CG 3.36Å; R768-L772 PolarHBondContact O-N 2.96Å; R768-L787 HydrophobicContact CB-CD2 3.98Å; R768-S790 PolarHBondContact NH1-O 2.77Å; R768-S790 VanDerWaalsContact NH2-C 3.34Å; R768-S790 PolarHBondContact NH2-O 3.43Å; R768-S790 PolarHBondContact NH2-OG 3.07Å |
| 769 | K | 93.7 | Very high | 89.6 | Confident | 86 Ų | 86 | 39 Ų | 39 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 169.3 | -70.7 | 164.3 | -158.5 | 164.9 | 0 | 110.9 | A765 D766 L772 G773 F783 L787 | A765-K769 VanDerWaalsContact O-CG 3.28Å; A765-K769 WeakPolarHBondContact O-CG 3.48Å; A765-K769 PolarHBondContact O-N 2.95Å; D766-K769 PolarHBondContact O-N 2.81Å; D766-K769 IonicContact OD1-NZ 2.93Å; D766-K769 PolarHBondContact OD1-NZ 3.13Å; K769-L772 PolarHBondContact O-N 2.92Å; K769-G773 PolarHBondContact O-N 3.02Å; K769-F783 HydrophobicContact CB-CD2 4.35Å; K769-F783 HydrophobicContact CB-CE2 4.11Å; K769-F783 HydrophobicContact CG-CD2 4.29Å; K769-F783 WeakPolarHBondContact O-CZ 3.25Å; K769-L787 HydrophobicContact CG-CD1 3.96Å |
| 770 | H | 92.7 | Very high | 89.6 | Confident | 42 Ų | 42 | 41 Ų | 41 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.4 | 177.1 | 91.7 | 0 | 0 | 0 | 111.3 | C756 Y758 D766 V767 R768 G773 S774 H775 | C756-H770 PolarHBondContact SG-NE2 2.67Å; Y758-H770 HydrophobicContact CD1-CB 3.63Å; Y758-H770 AromaticContact CD1-CG 3.59Å; Y758-H770 AromaticContact CD1-ND1 3.96Å; Y758-H770 HydrophobicContact CD2-CB 4.49Å; Y758-H770 AromaticContact CD2-CG 4Å; Y758-H770 AromaticContact CD2-ND1 3.49Å; Y758-H770 WeakPolarHBondContact CD2-ND1 3.18Å; Y758-H770 HydrophobicContact CE1-CB 3.68Å; Y758-H770 HydrophobicContact CG-CB 4.06Å; Y758-H770 AromaticContact CG-CD2 3.98Å; Y758-H770 AromaticContact CG-CE1 3.84Å; Y758-H770 AromaticContact CG-CG 3.53Å; Y758-H770 AromaticContact CG-ND1 3.44Å; D766-H770 PolarHBondContact O-N 2.87Å; V767-H770 WeakPolarHBondContact O-CB 3.16Å; V767-H770 PolarHBondContact O-N 3.27Å; R768-H770 VanDerWaalsContact C-N 3.31Å; H770-G773 PolarHBondContact O-N 3Å; H770-S774 PolarHBondContact CE1-OG 2.91Å; H770-S774 PolarHBondContact ND1-OG 2.85Å; H770-S774 PolarHBondContact NE2-OG 3.12Å; H770-S774 VanDerWaalsContact O-CB 3.27Å; H770-S774 WeakPolarHBondContact O-CB 3.42Å; H770-S774 PolarHBondContact O-N 3.04Å; H770-S774 PolarHBondContact O-OG 2.66Å; H770-H775 AromaticContact NE2-NE2 3.9Å |
| 771 | I | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -63 | -46.7 | 178.3 | -72 | 169.5 | 0 | 0 | 0 | 111.5 | L706 Y735 L738 V740 V767 R768 G773 H775 C776 | L706-I771 HydrophobicContact CD1-CD1 3.69Å; L706-I771 HydrophobicContact CD1-CG2 4.13Å; Y735-I771 HydrophobicContact CD2-CG2 3.89Å; Y735-I771 HydrophobicContact CE2-CG2 4.15Å; L738-I771 HydrophobicContact CB-CG2 4.13Å; L738-I771 HydrophobicContact CD1-CG2 3.56Å; L738-I771 HydrophobicContact CG-CG2 4.49Å; V740-I771 HydrophobicContact CG2-CD1 3.72Å; V767-I771 HydrophobicContact CG1-CD1 4.09Å; V767-I771 VanDerWaalsContact O-CG1 3.29Å; V767-I771 WeakPolarHBondContact O-CG1 3.4Å; V767-I771 PolarHBondContact O-N 2.92Å; R768-I771 PolarHBondContact O-N 2.58Å; I771-G773 VanDerWaalsContact C-N 3.32Å; I771-G773 PolarHBondContact O-N 2.72Å; I771-H775 HydrophobicContact CG2-CB 4.46Å; I771-H775 WeakPolarHBondContact O-CA 3.3Å; I771-H775 WeakPolarHBondContact O-CB 3.37Å; I771-H775 PolarHBondContact O-N 3.1Å; I771-C776 PolarHBondContact O-N 3.11Å; I771-C776 PolarHBondContact O-SG 2.89Å; I771-C776 VanDerWaalsContact O-SG 3.4Å |
| 772 | L | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -58.2 | -41.8 | 176.1 | -70.2 | 167.6 | 0 | 0 | 0 | 112.3 | M732 Y735 R768 K769 C776 G777 I778 F783 C786 L787 | M732-L772 HydrophobicContact SD-CD2 3.77Å; Y735-L772 HydrophobicContact CD2-CD2 3.42Å; Y735-L772 VanDerWaalsContact CD2-CD2 3.42Å; Y735-L772 HydrophobicContact CD2-CG 3.93Å; Y735-L772 HydrophobicContact CE2-CD2 3.68Å; Y735-L772 HydrophobicContact CE2-CG 3.78Å; Y735-L772 HydrophobicContact CG-CD2 4.08Å; R768-L772 VanDerWaalsContact O-CG 3.31Å; R768-L772 WeakPolarHBondContact O-CG 3.36Å; R768-L772 PolarHBondContact O-N 2.96Å; K769-L772 PolarHBondContact O-N 2.92Å; L772-C776 CarbonylContact O-C 3.59Å; L772-C776 WeakPolarHBondContact O-CB 3.13Å; L772-G777 PolarHBondContact O-N 2.8Å; L772-I778 HydrophobicContact CD2-CD1 3.65Å; L772-I778 WeakPolarHBondContact O-CB 3.17Å; L772-I778 PolarHBondContact O-N 3.19Å; L772-F783 HydrophobicContact CB-CD1 3.88Å; L772-F783 HydrophobicContact CB-CE1 3.59Å; L772-F783 HydrophobicContact CB-CZ 4.26Å; L772-F783 HydrophobicContact CD1-CD1 4.33Å; L772-C786 HydrophobicContact CD1-CB 4.05Å; L772-C786 HydrophobicContact CD2-CB 3.91Å; L772-L787 HydrophobicContact CD1-CD2 3.67Å; L772-L787 HydrophobicContact CD1-CG 3.72Å |
| 773 | G | 92.8 | Very high | 91 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -77.5 | -55.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K769 H770 I771 G777 | K769-G773 PolarHBondContact O-N 3.02Å; H770-G773 PolarHBondContact O-N 3Å; I771-G773 VanDerWaalsContact C-N 3.32Å; I771-G773 PolarHBondContact O-N 2.72Å; G773-G777 WeakPolarHBondContact O-CA 3.48Å; G773-G777 PolarHBondContact O-N 3.44Å |
| 774 | S | 90.3 | Very high | 91.3 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 54% | 0.538 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -83.5 | -36.5 | -169 | -50.2 | 0 | 0 | 0 | 0 | 113.6 | H770 | H770-S774 PolarHBondContact CE1-OG 2.91Å; H770-S774 PolarHBondContact ND1-OG 2.85Å; H770-S774 PolarHBondContact NE2-OG 3.12Å; H770-S774 VanDerWaalsContact O-CB 3.27Å; H770-S774 WeakPolarHBondContact O-CB 3.42Å; H770-S774 PolarHBondContact O-N 3.04Å; H770-S774 PolarHBondContact O-OG 2.66Å |
| 775 | H | 91.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 26% | 0.259 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -100.8 | -35.4 | -177.3 | -66.4 | -73.8 | 0 | 0 | 0 | 112.5 | L738 H755 C756 H770 I771 | L738-H775 HydrophobicContact CD1-CB 3.67Å; H755-H775 PolarHBondContact O-CE1 3.42Å; H755-H775 VanDerWaalsContact O-CE1 3.27Å; C756-H775 PolarHBondContact SG-NE2 3.26Å; C756-H775 VanDerWaalsContact SG-NE2 3.45Å; H770-H775 AromaticContact NE2-NE2 3.9Å; I771-H775 HydrophobicContact CG2-CB 4.46Å; I771-H775 WeakPolarHBondContact O-CA 3.3Å; I771-H775 WeakPolarHBondContact O-CB 3.37Å; I771-H775 PolarHBondContact O-N 3.1Å |
| 776 | C | 91.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -93.6 | -13.7 | 178.8 | -47.8 | 0 | 0 | 0 | 0 | 113.7 | K731 I771 L772 I778 | K731-C776 HydrophobicContact CB-CB 4.46Å; K731-C776 VanDerWaalsContact CD-O 3.24Å; K731-C776 WeakPolarHBondContact CD-O 3.49Å; K731-C776 WeakPolarHBondContact CG-O 3.4Å; I771-C776 PolarHBondContact O-N 3.11Å; I771-C776 PolarHBondContact O-SG 2.89Å; I771-C776 VanDerWaalsContact O-SG 3.4Å; L772-C776 CarbonylContact O-C 3.59Å; L772-C776 WeakPolarHBondContact O-CB 3.13Å; C776-I778 HydrophobicContact CB-CD1 3.84Å; C776-I778 HydrophobicContact CB-CG1 4.01Å; C776-I778 PolarHBondContact O-N 3.33Å |
| 777 | G | 89.3 | Confident | 91.6 | Very high | 49 Ų | 49 | 42 Ų | 42 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | trans | 68.1 | 16.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L772 G773 | L772-G777 PolarHBondContact O-N 2.8Å; G773-G777 WeakPolarHBondContact O-CA 3.48Å; G773-G777 PolarHBondContact O-N 3.44Å | ||
| 778 | I | 92 | Very high | 91.6 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | trans | -76.2 | 134.8 | -178.4 | -63.9 | 166.8 | 0 | 0 | 0 | 109.2 | L728 K731 M732 L772 C776 H782 F783 | L728-I778 HydrophobicContact CD2-CG1 4.44Å; L728-I778 HydrophobicContact CD2-CG2 3.82Å; K731-I778 HydrophobicContact CB-CD1 3.73Å; K731-I778 HydrophobicContact CB-CG1 3.56Å; K731-I778 HydrophobicContact CG-CG1 4.15Å; M732-I778 HydrophobicContact CG-CD1 4.44Å; M732-I778 HydrophobicContact SD-CD1 4.11Å; L772-I778 HydrophobicContact CD2-CD1 3.65Å; L772-I778 WeakPolarHBondContact O-CB 3.17Å; L772-I778 PolarHBondContact O-N 3.19Å; C776-I778 HydrophobicContact CB-CD1 3.84Å; C776-I778 HydrophobicContact CB-CG1 4.01Å; C776-I778 PolarHBondContact O-N 3.33Å; I778-H782 HydrophobicContact CG2-CB 4Å; I778-F783 HydrophobicContact CB-CE1 4.42Å; I778-F783 HydrophobicContact CG2-CD1 4.14Å; I778-F783 HydrophobicContact CG2-CE1 4.41Å; I778-F783 WeakPolarHBondContact O-CE1 3.43Å | ||
| 779 | S | 89.6 | Confident | 91.5 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 46% | 0.462 | 23% | 0.233 | S | C | . | . | trans | -69.6 | 144.6 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | K781 H782 F783 | S779-K781 PolarHBondContact O-N 2.68Å; S779-H782 PolarHBondContact O-N 3Å; S779-F783 PolarHBondContact O-N 2.82Å | ||
| 780 | T | 88.6 | Confident | 91.5 | Very high | 108 Ų | 108 | 37.8 Ų | 37.8 | 66% | 0.663 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.7 | 178.6 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | H782 F783 | T780-H782 PolarHBondContact O-N 3.24Å; T780-F783 HydrophobicContact CG2-CD2 4.23Å; T780-F783 HydrophobicContact CG2-CE2 3.79Å; T780-F783 HydrophobicContact CG2-CZ 4.07Å; T780-F783 PolarHBondContact O-N 2.97Å |
| 781 | K | 87.9 | Confident | 91.4 | Very high | 157 Ų | 157 | 39.5 Ų | 39.5 | 68% | 0.683 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -31.9 | 172.5 | -176.3 | -179.1 | 176.7 | -172.7 | 0 | 113 | S779 | S779-K781 PolarHBondContact O-N 2.68Š|
| 782 | H | 91 | Very high | 91.2 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -11.1 | -174.3 | -57.4 | -86.6 | 0 | 0 | 0 | 113.7 | L728 I778 S779 T780 R784 H785 C786 | L728-H782 HydrophobicContact CD1-CB 4.11Å; L728-H782 HydrophobicContact CD2-CB 3.67Å; I778-H782 HydrophobicContact CG2-CB 4Å; S779-H782 PolarHBondContact O-N 3Å; T780-H782 PolarHBondContact O-N 3.24Å; H782-R784 PolarHBondContact O-N 3.32Å; H782-H785 PolarHBondContact O-N 2.79Å; H782-C786 PolarHBondContact O-N 3.39Å; H782-C786 VanDerWaalsContact O-N 3.16Å; H782-C786 PolarHBondContact O-SG 3.4Å |
| 783 | F | 92.8 | Very high | 90.8 | Very high | 32 Ų | 32 | 42 Ų | 42 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -47.7 | -39.1 | 177.7 | -79.2 | 4.2 | 0 | 0 | 0 | 113.4 | K769 L772 I778 S779 T780 C786 L787 | K769-F783 HydrophobicContact CB-CD2 4.35Å; K769-F783 HydrophobicContact CB-CE2 4.11Å; K769-F783 HydrophobicContact CG-CD2 4.29Å; K769-F783 WeakPolarHBondContact O-CZ 3.25Å; L772-F783 HydrophobicContact CB-CD1 3.88Å; L772-F783 HydrophobicContact CB-CE1 3.59Å; L772-F783 HydrophobicContact CB-CZ 4.26Å; L772-F783 HydrophobicContact CD1-CD1 4.33Å; I778-F783 HydrophobicContact CB-CE1 4.42Å; I778-F783 HydrophobicContact CG2-CD1 4.14Å; I778-F783 HydrophobicContact CG2-CE1 4.41Å; I778-F783 WeakPolarHBondContact O-CE1 3.43Å; S779-F783 PolarHBondContact O-N 2.82Å; T780-F783 HydrophobicContact CG2-CD2 4.23Å; T780-F783 HydrophobicContact CG2-CE2 3.79Å; T780-F783 HydrophobicContact CG2-CZ 4.07Å; T780-F783 PolarHBondContact O-N 2.97Å; F783-C786 PolarHBondContact O-N 2.95Å; F783-L787 VanDerWaalsContact O-CB 3.22Å; F783-L787 WeakPolarHBondContact O-CB 3.45Å; F783-L787 WeakPolarHBondContact O-CG 3.34Å; F783-L787 PolarHBondContact O-N 3.14Å |
| 784 | R | 90.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 178.5 | 171.3 | 171 | 163.2 | 175.2 | -6.2 | 111.9 | H782 Q788 | H782-R784 PolarHBondContact O-N 3.32Å; R784-Q788 VanDerWaalsContact CG-OE1 3.22Å; R784-Q788 WeakPolarHBondContact O-CB 3.38Å; R784-Q788 VanDerWaalsContact O-CG 3.24Å; R784-Q788 WeakPolarHBondContact O-CG 3.29Å; R784-Q788 PolarHBondContact O-N 2.84Å; R784-Q788 PolarHBondContact O-OE1 3.3Å |
| 785 | H | 90 | Very high | 89.7 | Confident | 30 Ų | 30 | 47 Ų | 47 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -46.1 | -179.6 | -50.3 | 114.5 | 0 | 0 | 0 | 111 | L716 T717 H719 H782 L787 Q788 A789 | L716-H785 HydrophobicContact CB-CB 4.34Å; T717-H785 HydrophobicContact CG2-CB 4.16Å; H719-H785 AromaticContact CE1-CE1 4Å; H719-H785 AromaticContact CE1-NE2 3.73Å; H782-H785 PolarHBondContact O-N 2.79Å; H785-L787 PolarHBondContact O-N 3.24Å; H785-Q788 PolarHBondContact O-N 3.48Å; H785-A789 WeakPolarHBondContact O-CB 3.27Å; H785-A789 PolarHBondContact O-N 2.92Å |
| 786 | C | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | M732 L772 H782 F783 S790 | M732-C786 HydrophobicContact CE-CB 4.44Å; M732-C786 HydrophobicContact SD-CB 3.71Å; L772-C786 HydrophobicContact CD1-CB 4.05Å; L772-C786 HydrophobicContact CD2-CB 3.91Å; H782-C786 PolarHBondContact O-N 3.39Å; H782-C786 VanDerWaalsContact O-N 3.16Å; H782-C786 PolarHBondContact O-SG 3.4Å; F783-C786 PolarHBondContact O-N 2.95Å; C786-S790 WeakPolarHBondContact O-CB 3.37Å; C786-S790 PolarHBondContact O-N 3.23Å; C786-S790 PolarHBondContact O-OG 3.14Å |
| 787 | L | 93.2 | Very high | 88.9 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 177.4 | -71 | 171.7 | 0 | 0 | 0 | 112.2 | R768 K769 L772 F783 H785 S790 R791 | R768-L787 HydrophobicContact CB-CD2 3.98Å; K769-L787 HydrophobicContact CG-CD1 3.96Å; L772-L787 HydrophobicContact CD1-CD2 3.67Å; L772-L787 HydrophobicContact CD1-CG 3.72Å; F783-L787 VanDerWaalsContact O-CB 3.22Å; F783-L787 WeakPolarHBondContact O-CB 3.45Å; F783-L787 WeakPolarHBondContact O-CG 3.34Å; F783-L787 PolarHBondContact O-N 3.14Å; H785-L787 PolarHBondContact O-N 3.24Å; L787-S790 CarbonylContact O-C 3.58Å; L787-S790 PolarHBondContact O-N 3.24Å; L787-R791 PolarHBondContact O-N 3.07Å |
| 788 | Q | 90.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 175 | -77 | 179.8 | -71.5 | 0 | 0 | 111.4 | L716 R784 H785 S790 | L716-Q788 HydrophobicContact CD1-CB 3.62Å; R784-Q788 VanDerWaalsContact CG-OE1 3.22Å; R784-Q788 WeakPolarHBondContact O-CB 3.38Å; R784-Q788 VanDerWaalsContact O-CG 3.24Å; R784-Q788 WeakPolarHBondContact O-CG 3.29Å; R784-Q788 PolarHBondContact O-N 2.84Å; R784-Q788 PolarHBondContact O-OE1 3.3Å; H785-Q788 PolarHBondContact O-N 3.48Å; Q788-S790 PolarHBondContact O-N 3.42Å |
| 789 | A | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -9.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y708 S709 V712 L713 L716 H785 | Y708-A789 WeakPolarHBondContact CA-O 3.42Å; S709-A789 PolarHBondContact N-O 3.11Å; V712-A789 HydrophobicContact CB-CB 4.47Å; V712-A789 HydrophobicContact CG1-CB 4.26Å; L713-A789 HydrophobicContact CB-CB 3.89Å; L713-A789 HydrophobicContact CD1-CB 4.12Å; L716-A789 HydrophobicContact CD1-CB 4.44Å; H785-A789 WeakPolarHBondContact O-CB 3.27Å; H785-A789 PolarHBondContact O-N 2.92Å |
| 790 | S | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 24.8 | -178.4 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | P707 R768 C786 L787 Q788 L792 | P707-S790 WeakPolarHBondContact O-CB 3.37Å; R768-S790 PolarHBondContact NH1-O 2.77Å; R768-S790 VanDerWaalsContact NH2-C 3.34Å; R768-S790 PolarHBondContact NH2-O 3.43Å; R768-S790 PolarHBondContact NH2-OG 3.07Å; C786-S790 WeakPolarHBondContact O-CB 3.37Å; C786-S790 PolarHBondContact O-N 3.23Å; C786-S790 PolarHBondContact O-OG 3.14Å; L787-S790 CarbonylContact O-C 3.58Å; L787-S790 PolarHBondContact O-N 3.24Å; Q788-S790 PolarHBondContact O-N 3.42Å; S790-L792 PolarHBondContact O-N 2.85Å |
| 791 | R | 90.8 | Very high | 88.6 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 126.5 | 176.9 | -81.9 | 178 | 162.9 | 152.3 | -12.3 | 110.5 | L787 F800 L805 L808 | L787-R791 PolarHBondContact O-N 3.07Å; R791-F800 HydrophobicContact CB-CD2 3.89Å; R791-F800 HydrophobicContact CB-CE2 4.22Å; R791-F800 PolarHBondContact O-N 3.04Å; R791-L805 HydrophobicContact CB-CD2 3.7Å; R791-L808 PolarHBondContact NH1-O 3.13Å |
| 792 | L | 90 | Very high | 88.5 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -100.3 | 155.3 | 178.1 | -55.2 | 176 | 0 | 0 | 0 | 110.1 | I704 P707 L764 S790 T798 L799 | I704-L792 HydrophobicContact CG2-CD1 3.97Å; P707-L792 HydrophobicContact CG-CD2 3.79Å; L764-L792 HydrophobicContact CD2-CD1 4.33Å; S790-L792 PolarHBondContact O-N 2.85Å; L792-T798 CarbonylContact C-O 3.56Å; L792-T798 WeakPolarHBondContact CA-O 3.27Å; L792-T798 WeakPolarHBondContact CB-O 3.45Å; L792-L799 HydrophobicContact CD2-CB 4.39Å; L792-L799 HydrophobicContact CD2-CD1 4.22Å |
| 793 | D | 85.3 | Confident | 88.2 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 135.5 | 169.1 | -169.7 | -78.4 | 0 | 0 | 0 | 110.9 | V795 E796 F797 T798 F800 | D793-V795 VanDerWaalsContact C-N 3.29Å; D793-V795 PolarHBondContact O-N 3.2Å; D793-V795 WeakPolarHBondContact OD1-CA 3.39Å; D793-V795 WeakPolarHBondContact OD1-CB 3.37Å; D793-V795 PolarHBondContact OD1-N 3.31Å; D793-E796 HydrophobicContact CB-CB 4.41Å; D793-E796 PolarHBondContact OD1-N 3.43Å; D793-E796 VanDerWaalsContact OD1-N 3.14Å; D793-F797 WeakPolarHBondContact O-CA 3.2Å; D793-F797 PolarHBondContact O-N 2.92Å; D793-T798 PolarHBondContact N-O 3.36Å; D793-F800 HydrophobicContact CB-CD1 4.24Å; D793-F800 HydrophobicContact CB-CE1 3.65Å; D793-F800 HydrophobicContact CB-CZ 4.29Å; D793-F800 VanDerWaalsContact OD2-CE1 3.31Å; D793-F800 WeakPolarHBondContact OD2-CE1 3.29Å |
| 794 | P | 81.1 | Confident | 87.9 | Confident | 92 Ų | 92 | 44.1 Ų | 44.1 | 60% | 0.597 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14 | -177.9 | 30.7 | -36.1 | 0 | 0 | 0 | 114.6 | ||
| 795 | V | 79.3 | Confident | 88 | Confident | 118 Ų | 118 | 40.6 Ų | 40.6 | 72% | 0.715 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -54.4 | 179.3 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | D793 | D793-V795 VanDerWaalsContact C-N 3.29Å; D793-V795 PolarHBondContact O-N 3.2Å; D793-V795 WeakPolarHBondContact OD1-CA 3.39Å; D793-V795 WeakPolarHBondContact OD1-CB 3.37Å; D793-V795 PolarHBondContact OD1-N 3.31Å |
| 796 | E | 81.8 | Confident | 87.8 | Confident | 121 Ų | 121 | 39.8 Ų | 39.8 | 57% | 0.565 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -22.5 | -176.3 | -65.9 | -168.3 | 161.6 | 0 | 0 | 114.3 | P694 D793 T798 | P694-E796 WeakPolarHBondContact CD-O 3.45Å; P694-E796 VanDerWaalsContact CG-O 3.26Å; P694-E796 WeakPolarHBondContact CG-O 3.26Å; D793-E796 HydrophobicContact CB-CB 4.41Å; D793-E796 PolarHBondContact OD1-N 3.43Å; D793-E796 VanDerWaalsContact OD1-N 3.14Å; E796-T798 HydrophobicContact CB-CG2 3.92Å; E796-T798 VanDerWaalsContact CB-OG1 3.32Å; E796-T798 WeakPolarHBondContact CB-OG1 3.25Å; E796-T798 PolarHBondContact O-N 3.32Å; E796-T798 WeakPolarHBondContact OE2-CG2 3.31Å; E796-T798 PolarHBondContact OE2-OG1 2.75Å |
| 797 | F | 84.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | trans | 58.6 | 20 | -167 | -48.9 | -73.6 | 0 | 0 | 0 | 115.2 | P694 I704 L764 D793 | P694-F797 HydrophobicContact CG-CB 3.83Å; P694-F797 HydrophobicContact CG-CD2 4.28Å; I704-F797 HydrophobicContact CD1-CB 3.84Å; I704-F797 HydrophobicContact CD1-CD1 3.45Å; I704-F797 VanDerWaalsContact CD1-CD1 3.45Å; I704-F797 HydrophobicContact CD1-CD2 3.64Å; I704-F797 HydrophobicContact CD1-CE1 3.8Å; I704-F797 HydrophobicContact CD1-CE2 3.97Å; I704-F797 HydrophobicContact CD1-CG 3.35Å; I704-F797 HydrophobicContact CD1-CZ 4.04Å; I704-F797 HydrophobicContact CG1-CB 4Å; I704-F797 HydrophobicContact CG1-CD2 4.09Å; I704-F797 HydrophobicContact CG1-CG 3.96Å; I704-F797 HydrophobicContact CG2-CB 4.16Å; L764-F797 HydrophobicContact CD2-CD1 3.86Å; L764-F797 HydrophobicContact CD2-CE1 4.13Å; D793-F797 WeakPolarHBondContact O-CA 3.2Å; D793-F797 PolarHBondContact O-N 2.92Å | ||
| 798 | T | 86.5 | Confident | 87 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 13% | 0.129 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 161.7 | 171 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | L792 D793 E796 | L792-T798 CarbonylContact C-O 3.56Å; L792-T798 WeakPolarHBondContact CA-O 3.27Å; L792-T798 WeakPolarHBondContact CB-O 3.45Å; D793-T798 PolarHBondContact N-O 3.36Å; E796-T798 HydrophobicContact CB-CG2 3.92Å; E796-T798 VanDerWaalsContact CB-OG1 3.32Å; E796-T798 WeakPolarHBondContact CB-OG1 3.25Å; E796-T798 PolarHBondContact O-N 3.32Å; E796-T798 WeakPolarHBondContact OE2-CG2 3.31Å; E796-T798 PolarHBondContact OE2-OG1 2.75Å |
| 799 | L | 90.3 | Very high | 86.6 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 132.7 | 177.7 | -172.4 | 69.2 | 0 | 0 | 0 | 111.2 | R690 P707 L792 L805 | R690-L799 HydrophobicContact CG-CD2 4.21Å; P707-L799 HydrophobicContact CB-CB 4.28Å; P707-L799 HydrophobicContact CB-CD2 4.38Å; P707-L799 HydrophobicContact CG-CB 3.95Å; L792-L799 HydrophobicContact CD2-CB 4.39Å; L792-L799 HydrophobicContact CD2-CD1 4.22Å; L799-L805 HydrophobicContact CD1-CD1 4.28Å; L799-L805 HydrophobicContact CG-CD1 4.4Å |
| 800 | F | 89.3 | Confident | 86.2 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 153.1 | 171.1 | -68.1 | -41.5 | 0 | 0 | 0 | 112.5 | R791 D793 K804 L805 L808 | R791-F800 HydrophobicContact CB-CD2 3.89Å; R791-F800 HydrophobicContact CB-CE2 4.22Å; R791-F800 PolarHBondContact O-N 3.04Å; D793-F800 HydrophobicContact CB-CD1 4.24Å; D793-F800 HydrophobicContact CB-CE1 3.65Å; D793-F800 HydrophobicContact CB-CZ 4.29Å; D793-F800 VanDerWaalsContact OD2-CE1 3.31Å; D793-F800 WeakPolarHBondContact OD2-CE1 3.29Å; F800-K804 HydrophobicContact CB-CB 4.35Å; F800-K804 HydrophobicContact CB-CD 4.15Å; F800-K804 HydrophobicContact CB-CG 4.3Å; F800-K804 HydrophobicContact CD1-CD 3.72Å; F800-K804 HydrophobicContact CE1-CD 4.19Å; F800-K804 HydrophobicContact CG-CD 3.89Å; F800-K804 HydrophobicContact CG-CG 4.31Å; F800-L805 HydrophobicContact CB-CD2 3.76Å; F800-L805 HydrophobicContact CB-CG 3.87Å; F800-L805 HydrophobicContact CD2-CD2 4.19Å; F800-L805 WeakPolarHBondContact O-CD1 3.49Å; F800-L808 HydrophobicContact CD2-CD1 4Å; F800-L808 HydrophobicContact CE2-CD1 4.03Å |
| 801 | S | 86.1 | Confident | 85.5 | Confident | 72 Ų | 72 | 53 Ų | 53 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 150.1 | 174.4 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | E803 K804 L805 | S801-E803 PolarHBondContact O-N 3.01Å; S801-E803 VanDerWaalsContact O-N 3.12Å; S801-K804 PolarHBondContact O-N 3.26Å; S801-K804 WeakPolarHBondContact OG-CB 3.47Å; S801-L805 WeakPolarHBondContact O-CG 3.26Å; S801-L805 PolarHBondContact O-N 2.86Å |
| 802 | D | 86.3 | Confident | 84.6 | Confident | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.134 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.7 | -35.5 | -176.5 | -70.4 | -8.2 | 0 | 0 | 0 | 113 | R690 S709 R711 V712 S806 | R690-D802 IonicContact CZ-OD1 3.11Å; R690-D802 IonicContact NH2-OD1 2.73Å; R690-D802 PolarHBondContact NH2-OD1 3.23Å; R690-D802 IonicContact NH2-OD2 2.82Å; R690-D802 PolarHBondContact NH2-OD2 3.02Å; S709-D802 WeakPolarHBondContact CB-OD1 3.39Å; S709-D802 VanDerWaalsContact OG-CG 3.3Å; S709-D802 PolarHBondContact OG-OD1 3.01Å; R711-D802 WeakPolarHBondContact CD-OD2 3.35Å; V712-D802 HydrophobicContact CG2-CB 3.97Å; D802-S806 VanDerWaalsContact O-CB 3.23Å; D802-S806 WeakPolarHBondContact O-CB 3.1Å; D802-S806 PolarHBondContact O-N 3.02Å; D802-S806 PolarHBondContact O-OG 3.19Å |
| 803 | E | 85.2 | Confident | 83.7 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 27% | 0.271 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -74.4 | -38.8 | 177.9 | 178.1 | 55.2 | -171.6 | 0 | 0 | 112.3 | M288 S801 S806 R807 R810 | M288-E803 HydrophobicContact CE-CG 4.28Å; S801-E803 PolarHBondContact O-N 3.01Å; S801-E803 VanDerWaalsContact O-N 3.12Å; E803-S806 PolarHBondContact O-N 2.9Å; E803-R807 WeakPolarHBondContact O-CG 3.41Å; E803-R807 PolarHBondContact O-N 3.13Å; E803-R807 IonicContact OE1-CZ 2.62Å; E803-R807 VanDerWaalsContact OE1-CZ 3.26Å; E803-R807 IonicContact OE1-NE 3.08Å; E803-R807 PolarHBondContact OE1-NE 2.87Å; E803-R807 IonicContact OE1-NH2 3.37Å; E803-R807 PolarHBondContact OE1-NH2 3.42Å; E803-R810 IonicContact OE1-NH2 3.23Å; E803-R810 PolarHBondContact OE1-NH2 3.24Å; E803-R810 VanDerWaalsContact OE1-NH2 3.12Å; E803-R810 IonicContact OE2-NH2 2.68Å |
| 804 | K | 87.6 | Confident | 83 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 172.6 | -175.2 | 174.6 | 178.9 | -175.9 | 0 | 111 | F800 S801 L808 | F800-K804 HydrophobicContact CB-CB 4.35Å; F800-K804 HydrophobicContact CB-CD 4.15Å; F800-K804 HydrophobicContact CB-CG 4.3Å; F800-K804 HydrophobicContact CD1-CD 3.72Å; F800-K804 HydrophobicContact CE1-CD 4.19Å; F800-K804 HydrophobicContact CG-CD 3.89Å; F800-K804 HydrophobicContact CG-CG 4.31Å; S801-K804 PolarHBondContact O-N 3.26Å; S801-K804 WeakPolarHBondContact OG-CB 3.47Å; K804-L808 HydrophobicContact CG-CD1 3.98Å; K804-L808 HydrophobicContact CG-CG 4.49Å; K804-L808 VanDerWaalsContact O-CB 3.25Å; K804-L808 WeakPolarHBondContact O-CB 3.45Å; K804-L808 WeakPolarHBondContact O-CD1 3.48Å; K804-L808 WeakPolarHBondContact O-CG 3.3Å; K804-L808 PolarHBondContact O-N 2.87Å |
| 805 | L | 90.5 | Very high | 82.4 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63 | -42.3 | 172 | -68.8 | 177.4 | 0 | 0 | 0 | 111.9 | V712 R791 L799 F800 S801 A809 | V712-L805 HydrophobicContact CG1-CB 4.14Å; V712-L805 HydrophobicContact CG2-CB 3.9Å; V712-L805 HydrophobicContact CG2-CD1 4.2Å; R791-L805 HydrophobicContact CB-CD2 3.7Å; L799-L805 HydrophobicContact CD1-CD1 4.28Å; L799-L805 HydrophobicContact CG-CD1 4.4Å; F800-L805 HydrophobicContact CB-CD2 3.76Å; F800-L805 HydrophobicContact CB-CG 3.87Å; F800-L805 HydrophobicContact CD2-CD2 4.19Å; F800-L805 WeakPolarHBondContact O-CD1 3.49Å; S801-L805 WeakPolarHBondContact O-CG 3.26Å; S801-L805 PolarHBondContact O-N 2.86Å; L805-A809 WeakPolarHBondContact O-CB 3.48Å; L805-A809 PolarHBondContact O-N 3.45Å |
| 806 | S | 85.7 | Confident | 81.3 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | D802 E803 A809 R810 | D802-S806 VanDerWaalsContact O-CB 3.23Å; D802-S806 WeakPolarHBondContact O-CB 3.1Å; D802-S806 PolarHBondContact O-N 3.02Å; D802-S806 PolarHBondContact O-OG 3.19Å; E803-S806 PolarHBondContact O-N 2.9Å; S806-A809 PolarHBondContact O-N 3.12Å; S806-R810 WeakPolarHBondContact O-CG 3.46Å; S806-R810 PolarHBondContact O-N 3.44Å |
| 807 | R | 85.7 | Confident | 80.4 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.5 | -55.7 | 172.1 | -71 | 179.7 | -164.8 | -172.8 | 7 | 111 | E803 A809 R810 D811 | E803-R807 WeakPolarHBondContact O-CG 3.41Å; E803-R807 PolarHBondContact O-N 3.13Å; E803-R807 IonicContact OE1-CZ 2.62Å; E803-R807 VanDerWaalsContact OE1-CZ 3.26Å; E803-R807 IonicContact OE1-NE 3.08Å; E803-R807 PolarHBondContact OE1-NE 2.87Å; E803-R807 IonicContact OE1-NH2 3.37Å; E803-R807 PolarHBondContact OE1-NH2 3.42Å; R807-A809 PolarHBondContact O-N 2.89Å; R807-R810 CarbonylContact O-C 3.57Å; R807-R810 WeakPolarHBondContact O-CA 3.37Å; R807-R810 PolarHBondContact O-N 2.68Å; R807-D811 PolarHBondContact O-N 3.4Å; R807-D811 VanDerWaalsContact O-OD1 3.11Å |
| 808 | L | 85.7 | Confident | 79 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -14.2 | 178.8 | -70.3 | 173.3 | 0 | 0 | 0 | 114.4 | R791 F800 K804 | R791-L808 PolarHBondContact NH1-O 3.13Å; F800-L808 HydrophobicContact CD2-CD1 4Å; F800-L808 HydrophobicContact CE2-CD1 4.03Å; K804-L808 HydrophobicContact CG-CD1 3.98Å; K804-L808 HydrophobicContact CG-CG 4.49Å; K804-L808 VanDerWaalsContact O-CB 3.25Å; K804-L808 WeakPolarHBondContact O-CB 3.45Å; K804-L808 WeakPolarHBondContact O-CD1 3.48Å; K804-L808 WeakPolarHBondContact O-CG 3.3Å; K804-L808 PolarHBondContact O-N 2.87Å |
| 809 | A | 82.4 | Confident | 77.1 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -91.2 | -41.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L716 L805 S806 R807 F812 L813 | L716-A809 HydrophobicContact CD1-CB 4.34Å; L716-A809 HydrophobicContact CD2-CB 3.67Å; L805-A809 WeakPolarHBondContact O-CB 3.48Å; L805-A809 PolarHBondContact O-N 3.45Å; S806-A809 PolarHBondContact O-N 3.12Å; R807-A809 PolarHBondContact O-N 2.89Å; A809-F812 PolarHBondContact O-N 3.27Å; A809-L813 WeakPolarHBondContact O-CG 3.5Å; A809-L813 PolarHBondContact O-N 3.5Å; A809-L813 VanDerWaalsContact O-N 3.16Å |
| 810 | R | 82.7 | Confident | 75 | Confident | 118 Ų | 118 | 78.9 Ų | 78.9 | 45% | 0.445 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 170.4 | -76.2 | -173.5 | -83 | 134 | -12.9 | 111.5 | E803 S806 R807 F812 L813 H814 | E803-R810 IonicContact OE1-NH2 3.23Å; E803-R810 PolarHBondContact OE1-NH2 3.24Å; E803-R810 VanDerWaalsContact OE1-NH2 3.12Å; E803-R810 IonicContact OE2-NH2 2.68Å; S806-R810 WeakPolarHBondContact O-CG 3.46Å; S806-R810 PolarHBondContact O-N 3.44Å; R807-R810 CarbonylContact O-C 3.57Å; R807-R810 WeakPolarHBondContact O-CA 3.37Å; R807-R810 PolarHBondContact O-N 2.68Å; R810-F812 PolarHBondContact O-N 2.85Å; R810-F812 VanDerWaalsContact O-N 3.15Å; R810-L813 CarbonylContact O-C 3.54Å; R810-L813 WeakPolarHBondContact O-CA 3.29Å; R810-L813 WeakPolarHBondContact O-CB 3.11Å; R810-L813 PolarHBondContact O-N 3.44Å; R810-H814 PolarHBondContact O-CD2 2.96Å; R810-H814 PolarHBondContact O-N 3.16Å |
| 811 | D | 79.2 | Confident | 72.4 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55 | -37.8 | 178.3 | -52 | -20.9 | 0 | 0 | 0 | 112 | R807 R815 | R807-D811 PolarHBondContact O-N 3.4Å; R807-D811 VanDerWaalsContact O-OD1 3.11Å; D811-R815 WeakPolarHBondContact O-CB 3.29Å; D811-R815 VanDerWaalsContact O-CG 3.28Å; D811-R815 WeakPolarHBondContact O-CG 3.28Å; D811-R815 PolarHBondContact O-N 2.82Å |
| 812 | F | 71.8 | Confident | 69.9 | Low | 99 Ų | 99 | 85.7 Ų | 85.7 | 43% | 0.434 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -76.1 | -24.7 | 178.8 | -162.6 | -78.7 | 0 | 0 | 0 | 112.4 | A809 R810 | A809-F812 PolarHBondContact O-N 3.27Å; R810-F812 PolarHBondContact O-N 2.85Å; R810-F812 VanDerWaalsContact O-N 3.15Å |
| 813 | L | 70.4 | Confident | 67.6 | Low | 81 Ų | 81 | 90.4 Ų | 90.4 | 42% | 0.424 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -76.7 | -47.3 | 170.2 | -70.1 | 164 | 0 | 0 | 0 | 110.6 | A809 R810 R815 R816 L817 | A809-L813 WeakPolarHBondContact O-CG 3.5Å; A809-L813 PolarHBondContact O-N 3.5Å; A809-L813 VanDerWaalsContact O-N 3.16Å; R810-L813 CarbonylContact O-C 3.54Å; R810-L813 WeakPolarHBondContact O-CA 3.29Å; R810-L813 WeakPolarHBondContact O-CB 3.11Å; R810-L813 PolarHBondContact O-N 3.44Å; L813-R815 PolarHBondContact O-N 3.29Å; L813-R816 WeakPolarHBondContact O-CA 3.44Å; L813-R816 WeakPolarHBondContact O-CB 3.49Å; L813-R816 PolarHBondContact O-N 3.41Å; L813-L817 PolarHBondContact O-N 2.8Å |
| 814 | H | 71.7 | Confident | 65.1 | Low | 117 Ų | 117 | 92.8 Ų | 92.8 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 176 | -81.6 | -90 | 0 | 0 | 0 | 112.3 | R810 R816 L817 V818 | R810-H814 PolarHBondContact O-CD2 2.96Å; R810-H814 PolarHBondContact O-N 3.16Å; H814-R816 PolarHBondContact O-N 2.85Å; H814-R816 VanDerWaalsContact O-N 3.1Å; H814-L817 PolarHBondContact O-N 2.77Å; H814-V818 WeakPolarHBondContact O-CG2 3.49Å; H814-V818 PolarHBondContact O-N 3.17Å |
| 815 | R | 67.5 | Low | 62.4 | Low | 197 Ų | 197 | 94.2 Ų | 94.2 | 74% | 0.743 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.3 | -25.7 | 174.8 | -71.6 | 177.8 | -161.3 | -134.3 | 3 | 113.4 | D811 L813 S819 | D811-R815 WeakPolarHBondContact O-CB 3.29Å; D811-R815 VanDerWaalsContact O-CG 3.28Å; D811-R815 WeakPolarHBondContact O-CG 3.28Å; D811-R815 PolarHBondContact O-N 2.82Å; L813-R815 PolarHBondContact O-N 3.29Å; R815-S819 WeakPolarHBondContact O-CB 3.28Å; R815-S819 PolarHBondContact O-N 3.45Å |
| 816 | R | 56.4 | Low | 59.7 | Low | 147 Ų | 147 | 101.8 Ų | 101.8 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -81.7 | -33.7 | 174.1 | -169 | -177.8 | -175.7 | -156.6 | 0.7 | 112.6 | L813 H814 N820 | L813-R816 WeakPolarHBondContact O-CA 3.44Å; L813-R816 WeakPolarHBondContact O-CB 3.49Å; L813-R816 PolarHBondContact O-N 3.41Å; H814-R816 PolarHBondContact O-N 2.85Å; H814-R816 VanDerWaalsContact O-N 3.1Å; R816-N820 VanDerWaalsContact O-CB 3.3Å; R816-N820 WeakPolarHBondContact O-CB 3.02Å; R816-N820 PolarHBondContact O-N 2.96Å; R816-N820 PolarHBondContact O-OD1 3.02Å |
| 817 | L | 64 | Low | 57.2 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.9 | -44.4 | 176.2 | -68.3 | 169.9 | 0 | 0 | 0 | 111.3 | L813 H814 S819 N820 N821 | L813-L817 PolarHBondContact O-N 2.8Å; H814-L817 PolarHBondContact O-N 2.77Å; L817-S819 VanDerWaalsContact C-N 3.26Å; L817-S819 PolarHBondContact O-N 3.41Å; L817-N820 WeakPolarHBondContact O-CA 3.39Å; L817-N820 WeakPolarHBondContact O-CB 3.31Å; L817-N820 PolarHBondContact O-N 2.82Å; L817-N821 PolarHBondContact O-N 3.39Å |
| 818 | V | 55 | Low | 54.6 | Low | 114 Ų | 114 | 107.8 Ų | 107.8 | 69% | 0.691 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.8 | -34.7 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | H814 N820 | H814-V818 WeakPolarHBondContact O-CG2 3.49Å; H814-V818 PolarHBondContact O-N 3.17Å; V818-N820 PolarHBondContact O-N 2.77Å |
| 819 | S | 45.7 | Very low | 52.2 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 69% | 0.685 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 1.3 | 172.3 | -175.1 | 0 | 0 | 0 | 0 | 114.5 | R815 L817 | R815-S819 WeakPolarHBondContact O-CB 3.28Å; R815-S819 PolarHBondContact O-N 3.45Å; L817-S819 VanDerWaalsContact C-N 3.26Å; L817-S819 PolarHBondContact O-N 3.41Å |
| 820 | N | 45.5 | Very low | 49.8 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.9 | -18.8 | -175.7 | -87.4 | 24.7 | 0 | 0 | 0 | 113.9 | R816 L817 V818 | R816-N820 VanDerWaalsContact O-CB 3.3Å; R816-N820 WeakPolarHBondContact O-CB 3.02Å; R816-N820 PolarHBondContact O-N 2.96Å; R816-N820 PolarHBondContact O-OD1 3.02Å; L817-N820 WeakPolarHBondContact O-CA 3.39Å; L817-N820 WeakPolarHBondContact O-CB 3.31Å; L817-N820 PolarHBondContact O-N 2.82Å; V818-N820 PolarHBondContact O-N 2.77Å |
| 821 | N | 36.1 | Very low | 47.4 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 67% | 0.674 | 66% | 0.659 | S | S | * | * | trans | -110.1 | 110.7 | 175.9 | -80.8 | 18.4 | 0 | 0 | 0 | 109.8 | L817 T823 | L817-N821 PolarHBondContact O-N 3.39Å; N821-T823 VanDerWaalsContact C-N 3.27Å; N821-T823 PolarHBondContact O-N 2.92Å | ||
| 822 | P | 34.2 | Very low | 45.2 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -85.7 | 12.6 | 179.8 | 35.5 | -36.1 | 0 | 0 | 0 | 114.1 | ||||
| 823 | T | 37.8 | Very low | 43.4 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -121.4 | 83.6 | -167.3 | -43.9 | 0 | 0 | 0 | 0 | 111.5 | N821 | N821-T823 VanDerWaalsContact C-N 3.27Å; N821-T823 PolarHBondContact O-N 2.92Å | ||
| 824 | S | 31.8 | Very low | 41.5 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | -179.8 | 89.2 | 151.5 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 825 | P | 31.6 | Very low | 39.8 | Very low | 108 Ų | 108 | 127 Ų | 127 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -78.6 | 171.1 | 156.9 | 34.9 | -32.4 | 0 | 0 | 0 | 110.9 | ||||
| 826 | N | 33.2 | Very low | 38.1 | Very low | 161 Ų | 161 | 126 Ų | 126 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | 56.1 | 95.6 | 170.9 | -64.4 | 3.7 | 0 | 0 | 0 | 117.7 | ||||
| 827 | A | 32.4 | Very low | 36.8 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -147.8 | 78.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 828 | S | 30.8 | Very low | 35.3 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | trans | -142 | 94.3 | 165.2 | -68.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 829 | P | 36.8 | Very low | 34.2 | Very low | 100 Ų | 100 | 125 Ų | 125 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | -101.1 | 112.5 | 176.2 | 33.8 | -23.8 | 0 | 0 | 0 | 110.3 | ||||
| 830 | N | 32.2 | Very low | 33.7 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -88.4 | 146 | 158.5 | -93.4 | -17.5 | 0 | 0 | 0 | 109.2 | ||||
| 831 | P | 31.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -76.1 | 173.6 | 172.3 | 38.1 | -38.5 | 0 | 0 | 0 | 110.1 | ||||
| 832 | V | 33.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | cis | -145.5 | 155.8 | 14.6 | -140.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 833 | D | 33.1 | Very low | 32.6 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | -168.7 | 167.1 | 110.3 | -126.5 | -38.3 | 0 | 0 | 0 | 112.3 | |||||
| 834 | E | 31.6 | Very low | 32.3 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -91.2 | 142.2 | -176.2 | -55.5 | -171.2 | 134.1 | 0 | 0 | 113 | ||||
| 835 | N | 34.6 | Very low | 32.2 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | 177.8 | 130.4 | 121.7 | -100.6 | -75.5 | 0 | 0 | 0 | 114.6 | |||||
| 836 | H | 32.6 | Very low | 32.2 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | 36.7 | 130.8 | 154.9 | -85.6 | -84.9 | 0 | 0 | 0 | 124.2 | ||||
| 837 | P | 29.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -99 | 158.1 | 175.1 | 39.1 | -35.2 | 0 | 0 | 0 | 115.2 | ||||
| 838 | S | 32.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -154.5 | 108.7 | 158.8 | 41.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 839 | S | 31.8 | Very low | 31.4 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | 83.5 | 95 | 76.1 | 72.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 840 | S | 34.3 | Very low | 30.9 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -167.9 | 117.8 | 145.8 | 17.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 841 | E | 30.4 | Very low | 30.9 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -95.2 | 150.2 | 172.2 | -60.2 | 173.6 | 116.7 | 0 | 0 | 110 | ||||
| 842 | S | 33.1 | Very low | 30.6 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | trans | -160.3 | 108.2 | 164.9 | -78.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 843 | S | 29.8 | Very low | 30.5 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -115.5 | 122.7 | -177 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 844 | T | 31.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -154.1 | 121.7 | 158.6 | 32.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 845 | T | 29 | Very low | 30.1 | Very low | 100 Ų | 100 | 130 Ų | 130 | 61% | 0.613 | 78% | 0.781 | S | S | * | * | cis | 87.6 | 133.8 | 33.1 | -43.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 846 | F | 31 | Very low | 29.8 | Very low | 194 Ų | 194 | 129 Ų | 129 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 70.8 | 162.3 | -179.5 | -48 | -71.8 | 0 | 0 | 0 | 116.9 | ||||
| 847 | A | 27.2 | Very low | 29.7 | Very low | 77 Ų | 77 | 130 Ų | 130 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | 158 | 131.3 | -49.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 848 | T | 26.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 81.3 | 139.7 | 158.2 | -34.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 849 | S | 26.6 | Very low | 29.6 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 81.1 | 129.4 | 156.4 | 73.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 850 | L | 26.8 | Very low | 29.5 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | 38.7 | 100.9 | 134.4 | -64.4 | 164.6 | 0 | 0 | 0 | 119.9 | ||||
| 851 | N | 30.6 | Very low | 29.5 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | -173.3 | 134.4 | 108.1 | -88.8 | -43.2 | 0 | 0 | 0 | 107.9 | |||||
| 852 | S | 26.8 | Very low | 29.7 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | 78.4 | 139.3 | 50.2 | 96.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 853 | L | 29.8 | Very low | 29.9 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | 60.1 | 137 | -162 | -59.7 | 100.3 | 0 | 0 | 0 | 115.5 | ||||
| 854 | S | 28.5 | Very low | 30.2 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | cis | 164.8 | 108.7 | -34.7 | 46.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 855 | C | 28.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 91% | 0.905 | 71% | 0.71 | S | S | * | * | trans | -138 | 123.7 | 149.2 | -167.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 856 | T | 29.1 | Very low | 31 | Very low | 125 Ų | 125 | 123 Ų | 123 | 77% | 0.767 | 69% | 0.692 | S | S | * | * | trans | -85.1 | 126.1 | -166.9 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 857 | Q | 30 | Very low | 31.2 | Very low | 196 Ų | 196 | 117.7 Ų | 117.7 | 92% | 0.916 | 68% | 0.675 | S | S | * | * | -163.8 | 101.1 | 129.6 | -110.1 | 170.4 | 40.8 | 0 | 0 | 112.3 | |||||
| 858 | D | 27.1 | Very low | 31.6 | Very low | 162 Ų | 162 | 117.2 Ų | 117.2 | 87% | 0.866 | 66% | 0.664 | S | S | * | * | trans | -71.1 | -177.4 | 162.5 | -99.9 | -60 | 0 | 0 | 0 | 111.9 | ||||
| 859 | S | 32 | Very low | 32.1 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | trans | 101.9 | 19.1 | 153.7 | -157.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 860 | Y | 30.7 | Very low | 32.7 | Very low | 210 Ų | 210 | 115.7 Ų | 115.7 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | trans | -126.9 | 11.4 | 171.1 | -80.1 | -71.3 | 0 | 0 | 0 | 118 | P881 | Y860-P881 WeakPolarHBondContact O-CG 3.45Š| ||
| 861 | V | 34.1 | Very low | 33.5 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 54% | 0.539 | 65% | 0.647 | S | S | . | * | trans | -97.5 | 102.5 | 164.3 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | H863 | V861-H863 PolarHBondContact O-CD2 2.79Å; V861-H863 PolarHBondContact O-N 3.43Å; V861-H863 VanDerWaalsContact O-N 3.12Å | ||
| 862 | S | 33.3 | Very low | 34 | Very low | 82 Ų | 82 | 110.7 Ų | 110.7 | 57% | 0.573 | 64% | 0.643 | S | S | * | * | trans | -72.5 | 104.4 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | F864 | S862-F864 PolarHBondContact O-N 2.63Š| ||
| 863 | H | 37.6 | Very low | 34.7 | Very low | 131 Ų | 131 | 111 Ų | 111 | 61% | 0.606 | 64% | 0.642 | S | S | * | * | trans | -78.8 | 60.3 | 176 | -85.7 | -105.6 | 0 | 0 | 0 | 112.4 | V861 T865 | V861-H863 PolarHBondContact O-CD2 2.79Å; V861-H863 PolarHBondContact O-N 3.43Å; V861-H863 VanDerWaalsContact O-N 3.12Å; H863-T865 PolarHBondContact O-N 2.98Å | ||
| 864 | F | 35.9 | Very low | 35.2 | Very low | 86 Ų | 86 | 111.1 Ų | 111.1 | 38% | 0.377 | 64% | 0.636 | S | S | . | * | trans | -64 | 99.3 | 177.5 | -178.1 | -119.2 | 0 | 0 | 0 | 111.7 | S862 T866 I877 | S862-F864 PolarHBondContact O-N 2.63Å; F864-T866 HydrophobicContact CD1-CG2 4.26Å; F864-T866 HydrophobicContact CE1-CG2 3.64Å; F864-T866 VanDerWaalsContact CZ-CB 3.42Å; F864-T866 HydrophobicContact CZ-CG2 4.06Å; F864-I877 PolarHBondContact O-N 2.85Å | ||
| 865 | T | 38.3 | Very low | 35.6 | Very low | 78 Ų | 78 | 109.3 Ų | 109.3 | 48% | 0.479 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.1 | 110.3 | 170.1 | -56.7 | 0 | 0 | 0 | 0 | 108.1 | H863 K874 | H863-T865 PolarHBondContact O-N 2.98Å; T865-K874 HydrophobicContact CG2-CB 4.23Å; T865-K874 HydrophobicContact CG2-CD 4.45Å |
| 866 | T | 39.2 | Very low | 36.1 | Very low | 39 Ų | 39 | 107.1 Ų | 107.1 | 24% | 0.239 | 60% | 0.603 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.6 | -176.4 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | F864 V875 | F864-T866 HydrophobicContact CD1-CG2 4.26Å; F864-T866 HydrophobicContact CE1-CG2 3.64Å; F864-T866 VanDerWaalsContact CZ-CB 3.42Å; F864-T866 HydrophobicContact CZ-CG2 4.06Å; T866-V875 PolarHBondContact N-O 2.88Å; T866-V875 PolarHBondContact O-N 3.12Å |
| 867 | V | 35.4 | Very low | 36.4 | Very low | 83 Ų | 83 | 105.1 Ų | 105.1 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 131.7 | 160.8 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | P869 S871 K874 | V867-P869 WeakPolarHBondContact O-CD 3.49Å; V867-S871 VanDerWaalsContact CG1-O 3.23Å; V867-S871 WeakPolarHBondContact CG1-O 3.46Å; V867-K874 HydrophobicContact CG2-CG 4.43Å |
| 868 | V | 37.1 | Very low | 36.8 | Very low | 66 Ų | 66 | 107 Ų | 107 | 40% | 0.4 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.2 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | G870 S871 V875 | V868-G870 PolarHBondContact O-N 3.44Å; V868-S871 PolarHBondContact O-N 3.31Å; V868-V875 HydrophobicContact CG2-CG2 4.24Å |
| 869 | P | 36.4 | Very low | 37.2 | Very low | 113 Ų | 113 | 105.2 Ų | 105.2 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 109.6 | 175.9 | -24.7 | 35.5 | 0 | 0 | 0 | 110 | V867 | V867-P869 WeakPolarHBondContact O-CD 3.49Š|
| 870 | G | 40.1 | Very low | 37.2 | Very low | 89 Ų | 89 | 111.7 Ų | 111.7 | 92% | 0.918 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.7 | -4.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | V868 | V868-G870 PolarHBondContact O-N 3.44Š|
| 871 | S | 42.2 | Very low | 37.5 | Very low | 46 Ų | 46 | 104.8 Ų | 104.8 | 32% | 0.322 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.5 | 142.6 | 167.8 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | V867 V868 T873 | V867-S871 VanDerWaalsContact CG1-O 3.23Å; V867-S871 WeakPolarHBondContact CG1-O 3.46Å; V868-S871 PolarHBondContact O-N 3.31Å; S871-T873 WeakPolarHBondContact CB-OG1 3.35Å; S871-T873 PolarHBondContact O-N 3.43Å; S871-T873 PolarHBondContact OG-OG1 2.68Å |
| 872 | Q | 42.4 | Very low | 37.5 | Very low | 148 Ų | 148 | 106.6 Ų | 106.6 | 69% | 0.692 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.6 | -6.3 | 178.8 | -66.3 | -175.3 | -7.2 | 0 | 0 | 113.6 | N500 K874 | N500-Q872 PolarHBondContact ND2-OE1 2.96Å; Q872-K874 PolarHBondContact O-N 2.86Å |
| 873 | T | 40.5 | Very low | 37.6 | Very low | 92 Ų | 92 | 109 Ų | 109 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 109.1 | 177.6 | 24.7 | 0 | 0 | 0 | 0 | 111.9 | S871 | S871-T873 WeakPolarHBondContact CB-OG1 3.35Å; S871-T873 PolarHBondContact O-N 3.43Å; S871-T873 PolarHBondContact OG-OG1 2.68Å |
| 874 | K | 41.6 | Very low | 37.6 | Very low | 160 Ų | 160 | 107.3 Ų | 107.3 | 70% | 0.696 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -61.7 | 132.2 | 164.9 | -63.7 | 178.5 | -178.7 | 178.6 | 0 | 109.2 | T865 V867 Q872 | T865-K874 HydrophobicContact CG2-CB 4.23Å; T865-K874 HydrophobicContact CG2-CD 4.45Å; V867-K874 HydrophobicContact CG2-CG 4.43Å; Q872-K874 PolarHBondContact O-N 2.86Å |
| 875 | V | 36.3 | Very low | 37.4 | Very low | 64 Ų | 64 | 109 Ų | 109 | 39% | 0.388 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.6 | 114.8 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | T866 V868 I877 | T866-V875 PolarHBondContact N-O 2.88Å; T866-V875 PolarHBondContact O-N 3.12Å; V868-V875 HydrophobicContact CG2-CG2 4.24Å; V875-I877 HydrophobicContact CG1-CG1 4.19Å |
| 876 | T | 39.4 | Very low | 37.3 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 124.1 | 175.4 | -40.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 877 | I | 35.9 | Very low | 37 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 42% | 0.421 | 65% | 0.652 | S | S | . | * | trans | -114 | 110.3 | -179.3 | -55.9 | 178.9 | 0 | 0 | 0 | 109.2 | F864 V875 I879 | F864-I877 PolarHBondContact O-N 2.85Å; V875-I877 HydrophobicContact CG1-CG1 4.19Å; I877-I879 HydrophobicContact CG2-CG1 4.12Å | ||
| 878 | R | 36.7 | Very low | 36.9 | Very low | 237 Ų | 237 | 124.5 Ų | 124.5 | 89% | 0.894 | 67% | 0.669 | S | S | * | * | trans | -73.3 | 125.3 | 168.5 | -79.7 | -179.2 | 169.2 | 165 | -3.8 | 109.9 | ||||
| 879 | I | 35.5 | Very low | 36.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | trans | -121.9 | 124.6 | 166.9 | -56.3 | 179.2 | 0 | 0 | 0 | 106.5 | I877 | I877-I879 HydrophobicContact CG2-CG1 4.12Š| ||
| 880 | R | 32.9 | Very low | 36.6 | Very low | 238 Ų | 238 | 126.8 Ų | 126.8 | 90% | 0.898 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 130.7 | 169.3 | -92.4 | -174.4 | 173.4 | 169.3 | -3.1 | 109.2 | ||
| 881 | P | 36.4 | Very low | 36.4 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 43% | 0.429 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 171 | 159.8 | -18.5 | 32.6 | 0 | 0 | 0 | 111.9 | Y860 | Y860-P881 WeakPolarHBondContact O-CG 3.45Š|
| 882 | P | 34.7 | Very low | 36 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 155.7 | 165.3 | -14.3 | 30 | 0 | 0 | 0 | 111.4 | ||
| 883 | V | 36.3 | Very low | 35.7 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 129.3 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 884 | P | 36.5 | Very low | 35.4 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 157.5 | 170.8 | -18.4 | 32.7 | 0 | 0 | 0 | 112.8 | ||
| 885 | P | 31.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 116.5 | 173.3 | 33.6 | -29.1 | 0 | 0 | 0 | 111.2 | ||
| 886 | D | 36.4 | Very low | 34.9 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | -122.3 | 154.7 | 176.7 | -78.5 | -62.4 | 0 | 0 | 0 | 112.2 | ||||
| 887 | F | 31.8 | Very low | 34.5 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -90.6 | 148.7 | -164.3 | -73.3 | -114.8 | 0 | 0 | 0 | 113.7 | ||||
| 888 | H | 34.5 | Very low | 34.4 | Very low | 186 Ų | 186 | 140 Ų | 140 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -132.7 | 149.8 | 158.6 | -75.9 | -65 | 0 | 0 | 0 | 111.1 | ||||
| 889 | P | 35.5 | Very low | 34.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -96.7 | 157.5 | -167 | 36 | -33 | 0 | 0 | 0 | 114.7 | ||||
| 890 | P | 31.8 | Very low | 33.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -99.3 | 161.2 | -179.5 | 38.7 | -35.7 | 0 | 0 | 0 | 114.5 | ||||
| 891 | N | 35.5 | Very low | 33.9 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 171.6 | 171.5 | 133.9 | -88.9 | -17.5 | 0 | 0 | 0 | 113 | ||||
| 892 | S | 33.5 | Very low | 33.7 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 62.4 | 105.7 | -176.4 | 32.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 893 | T | 36.5 | Very low | 33.7 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | 71.8 | 129.4 | 31.5 | -23.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 894 | S | 34.2 | Very low | 33.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -150.7 | 167.3 | 29.8 | -43.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 895 | P | 35.3 | Very low | 33.2 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | trans | -120 | 173.8 | 178.9 | 43.1 | -32.6 | 0 | 0 | 0 | 116.1 | ||||
| 896 | I | 31.3 | Very low | 33.1 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -147.9 | 120 | 165.9 | -52.7 | -177.3 | 0 | 0 | 0 | 105.5 | ||||
| 897 | Q | 32.3 | Very low | 33 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 73.6 | 134.5 | 60.4 | -71.4 | -175.5 | -27.3 | 0 | 0 | 113.8 | |||||
| 898 | S | 32.4 | Very low | 33 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | cis | -149.1 | -157.7 | -9.6 | -72.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 899 | A | 33.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | cis | -159.7 | -170.8 | 10.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 900 | D | 29.2 | Very low | 32.4 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -91.8 | 165.2 | -165.7 | -42.8 | -89.4 | 0 | 0 | 0 | 117.3 | ||||
| 901 | S | 32.7 | Very low | 32.1 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -163.7 | 149.3 | 130.6 | 7.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 902 | H | 31.8 | Very low | 31.9 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -99.4 | 160.2 | -176.1 | -61.2 | -108.9 | 0 | 0 | 0 | 113.4 | ||||
| 903 | I | 34.7 | Very low | 31.5 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -148.1 | 146.3 | 146.2 | -101.5 | 152.5 | 0 | 0 | 0 | 109.3 | ||||
| 904 | N | 31.7 | Very low | 31 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -97.2 | 156.9 | -173.4 | -71.6 | -38.5 | 0 | 0 | 0 | 113.7 | ||||
| 905 | G | 30.8 | Very low | 30.8 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -169 | 108.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 906 | S | 30.5 | Very low | 30.3 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -105.3 | 161.4 | -171.5 | -113.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 907 | P | 33.9 | Very low | 30.1 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -88.4 | 172.6 | -174.5 | 37.1 | -36.8 | 0 | 0 | 0 | 113.7 | ||||
| 908 | V | 31.7 | Very low | 29.8 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 87% | 0.873 | 83% | 0.828 | S | S | * | * | trans | -131.1 | 137.8 | 168.7 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 909 | T | 26.7 | Very low | 29.7 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -113.4 | 144.5 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 910 | S | 30.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | trans | -147.7 | 123.7 | 164.9 | 57.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 911 | N | 25.6 | Very low | 29.7 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | -76.6 | 160.1 | 170.4 | -58.3 | -22.8 | 0 | 0 | 0 | 110.5 | ||||
| 912 | I | 31.2 | Very low | 29.9 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -164.2 | 155.4 | 140.6 | -102.2 | 152.6 | 0 | 0 | 0 | 107.9 | ||||
| 913 | E | 26.3 | Very low | 30.6 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -104.1 | 165.9 | -156.7 | -64.9 | 156.7 | 115.9 | 0 | 0 | 114.5 | ||||
| 914 | Q | 26 | Very low | 31.2 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 50.1 | 99.5 | 139.3 | -168.2 | 175.1 | 29.9 | 0 | 0 | 119.4 | ||||
| 915 | S | 29 | Very low | 32.3 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | -159.9 | 139.7 | 138.4 | -88.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 916 | T | 24 | Very low | 33.1 | Very low | 147 Ų | 147 | 119.6 Ų | 119.6 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | trans | -93.5 | 123.6 | -178.2 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 917 | A | 28.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 88% | 0.884 | 70% | 0.704 | S | S | * | * | trans | -150.2 | 143.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 918 | S | 26.2 | Very low | 35 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -100.7 | 139.8 | -173 | 55.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 919 | S | 30.1 | Very low | 35.8 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 83% | 0.832 | 66% | 0.659 | S | S | * | * | trans | -146.3 | 114.4 | 159.6 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | S921 | S919-S921 PolarHBondContact O-N 3.11Š| ||
| 920 | N | 28.9 | Very low | 37 | Very low | 155 Ų | 155 | 108.4 Ų | 108.4 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | trans | -86.5 | 109.9 | -177.3 | -77.6 | -46.8 | 0 | 0 | 0 | 110.7 | N922 | N920-N922 PolarHBondContact O-N 3.35Š| ||
| 921 | S | 33.1 | Very low | 38.2 | Very low | 91 Ų | 91 | 105.3 Ų | 105.3 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | trans | -71.4 | 80.6 | 166.4 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | S919 V923 | S919-S921 PolarHBondContact O-N 3.11Å; S921-V923 PolarHBondContact O-N 2.91Å | ||
| 922 | N | 36.5 | Very low | 39.4 | Very low | 126 Ų | 126 | 98.4 Ų | 98.4 | 67% | 0.674 | 60% | 0.596 | S | S | * | * | trans | -69.9 | 109.1 | -173 | -163.4 | 11 | 0 | 0 | 0 | 110.9 | N920 D924 | N920-N922 PolarHBondContact O-N 3.35Å; N922-D924 PolarHBondContact O-N 3.05Å | ||
| 923 | V | 47.9 | Very low | 40.6 | Very low | 43 Ų | 43 | 91.5 Ų | 91.5 | 26% | 0.261 | 57% | 0.567 | S | S | . | * | trans | -81.1 | 106.8 | -177.3 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | S921 L925 V940 | S921-V923 PolarHBondContact O-N 2.91Å; V923-L925 PolarHBondContact O-N 3.1Å; V923-V940 HydrophobicContact CB-CB 4.43Å; V923-V940 HydrophobicContact CB-CG1 4.1Å; V923-V940 HydrophobicContact CG1-CG1 4.31Å; V923-V940 WeakPolarHBondContact O-CB 3.47Å | ||
| 924 | D | 46.7 | Very low | 42.4 | Very low | 58 Ų | 58 | 84 Ų | 84 | 31% | 0.31 | 53% | 0.532 | S | S | . | . | trans | -49.3 | 128.8 | -168.8 | -173.6 | 3.3 | 0 | 0 | 0 | 114.4 | S26 N922 A926 S927 | S26-D924 WeakPolarHBondContact CB-OD2 3.14Å; N922-D924 PolarHBondContact O-N 3.05Å; D924-A926 PolarHBondContact O-N 3.45Å; D924-A926 PolarHBondContact OD1-N 2.64Å; D924-A926 WeakPolarHBondContact OD2-CB 3.47Å; D924-S927 WeakPolarHBondContact O-CB 3.41Å; D924-S927 PolarHBondContact O-N 2.92Å; D924-S927 VanDerWaalsContact O-N 3.1Å; D924-S927 PolarHBondContact O-OG 2.84Å | ||
| 925 | L | 54.8 | Low | 43.9 | Very low | 58 Ų | 58 | 81.3 Ų | 81.3 | 30% | 0.304 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -59.1 | -29 | 175.8 | -90 | 67.9 | 0 | 0 | 0 | 112.2 | V923 S927 L928 A937 V940 | V923-L925 PolarHBondContact O-N 3.1Å; L925-S927 PolarHBondContact O-N 2.65Å; L925-L928 VanDerWaalsContact O-CB 3.3Å; L925-L928 WeakPolarHBondContact O-CB 3.29Å; L925-L928 WeakPolarHBondContact O-CG 3.18Å; L925-L928 PolarHBondContact O-N 2.97Å; L925-A937 WeakPolarHBondContact CD2-O 3.36Å; L925-V940 HydrophobicContact CD1-CG2 4Å; L925-V940 HydrophobicContact CG-CG2 4.42Å |
| 926 | A | 47.7 | Very low | 45.5 | Very low | 66 Ų | 66 | 77.5 Ų | 77.5 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -59.5 | -19.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D924 L928 | D924-A926 PolarHBondContact O-N 3.45Å; D924-A926 PolarHBondContact OD1-N 2.64Å; D924-A926 WeakPolarHBondContact OD2-CB 3.47Å; A926-L928 PolarHBondContact O-N 2.85Å |
| 927 | S | 52.9 | Low | 47.5 | Very low | 53 Ų | 53 | 71.4 Ų | 71.4 | 37% | 0.371 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -74.3 | -6.7 | 174.7 | 73.8 | 0 | 0 | 0 | 0 | 114.6 | D924 L925 P929 | D924-S927 WeakPolarHBondContact O-CB 3.41Å; D924-S927 PolarHBondContact O-N 2.92Å; D924-S927 VanDerWaalsContact O-N 3.1Å; D924-S927 PolarHBondContact O-OG 2.84Å; L925-S927 PolarHBondContact O-N 2.65Å; S927-P929 WeakPolarHBondContact O-CD 3.38Å |
| 928 | L | 51.1 | Low | 50 | Low | 33 Ų | 33 | 69 Ų | 69 | 17% | 0.173 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -84.7 | 116 | 178.3 | -61.2 | 177.8 | 0 | 0 | 0 | 110.7 | L925 A926 I934 A937 V940 I984 | L925-L928 VanDerWaalsContact O-CB 3.3Å; L925-L928 WeakPolarHBondContact O-CB 3.29Å; L925-L928 WeakPolarHBondContact O-CG 3.18Å; L925-L928 PolarHBondContact O-N 2.97Å; A926-L928 PolarHBondContact O-N 2.85Å; L928-I934 HydrophobicContact CD1-CG2 4.29Å; L928-A937 HydrophobicContact CD1-CB 4.46Å; L928-V940 HydrophobicContact CD1-CG2 4.22Å; L928-I984 HydrophobicContact CD1-CG2 4.01Å; L928-I984 HydrophobicContact CD2-CD1 3.55Å; L928-I984 HydrophobicContact CD2-CG1 4.04Å |
| 929 | P | 49.6 | Very low | 52.7 | Low | 78 Ų | 78 | 67.4 Ų | 67.4 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | trans | -62 | 144.2 | 171.3 | -15.6 | 29.4 | 0 | 0 | 0 | 109.6 | S927 I931 | S927-P929 WeakPolarHBondContact O-CD 3.38Å; P929-I931 HydrophobicContact CB-CD1 3.97Å; P929-I931 HydrophobicContact CB-CG1 4.22Å; P929-I931 HydrophobicContact CG-CD1 4.27Å; P929-I931 WeakPolarHBondContact O-CG1 3.41Å; P929-I931 PolarHBondContact O-N 2.67Å | ||
| 930 | S | 51.2 | Low | 55.3 | Low | 112 Ų | 112 | 62.2 Ų | 62.2 | 78% | 0.783 | 38% | 0.379 | S | S | * | . | trans | -65.1 | 76.5 | -177.6 | 39.6 | 0 | 0 | 0 | 0 | 113.1 | G747 | G747-S930 WeakPolarHBondContact CA-O 3.44Š| ||
| 931 | I | 55.4 | Low | 58.1 | Low | 50 Ų | 50 | 57.4 Ų | 57.4 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | trans | -107.1 | 115.6 | -176.6 | -66.3 | 162.5 | 0 | 0 | 0 | 107.6 | F748 P929 I934 L1000 I1002 | F748-I931 HydrophobicContact CE1-CG2 4.35Å; P929-I931 HydrophobicContact CB-CD1 3.97Å; P929-I931 HydrophobicContact CB-CG1 4.22Å; P929-I931 HydrophobicContact CG-CD1 4.27Å; P929-I931 WeakPolarHBondContact O-CG1 3.41Å; P929-I931 PolarHBondContact O-N 2.67Å; I931-I934 HydrophobicContact CB-CD1 4.01Å; I931-I934 HydrophobicContact CB-CG1 4.38Å; I931-I934 HydrophobicContact CG2-CD1 4.02Å; I931-I934 HydrophobicContact CG2-CG1 4.24Å; I931-I934 VanDerWaalsContact O-CB 3.28Å; I931-I934 WeakPolarHBondContact O-CB 3.43Å; I931-I934 WeakPolarHBondContact O-CG1 3.46Å; I931-I934 PolarHBondContact O-N 3.37Å; I931-I934 VanDerWaalsContact O-N 3.1Å; I931-L1000 HydrophobicContact CD1-CD1 3.43Å; I931-L1000 VanDerWaalsContact CD1-CD1 3.43Å; I931-I1002 HydrophobicContact CG2-CD1 4.12Å | ||
| 932 | P | 50.1 | Low | 60.6 | Low | 7 Ų | 7 | 55.8 Ų | 55.8 | 5% | 0.045 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 157.3 | -174.7 | -8.6 | 17.5 | 0 | 0 | 0 | 112.2 | G746 G747 F748 I934 E935 Q1006 | G746-P932 VanDerWaalsContact C-CG 3.45Å; G746-P932 WeakPolarHBondContact O-CG 3.43Å; G747-P932 VanDerWaalsContact C-CD 3.42Å; F748-P932 HydrophobicContact CD1-CG 4.03Å; F748-P932 HydrophobicContact CD2-CB 4.14Å; F748-P932 HydrophobicContact CD2-CG 3.65Å; F748-P932 HydrophobicContact CE1-CB 3.99Å; F748-P932 HydrophobicContact CE1-CG 3.89Å; F748-P932 WeakPolarHBondContact CE1-O 3.36Å; F748-P932 HydrophobicContact CE2-CB 3.5Å; F748-P932 HydrophobicContact CE2-CG 3.55Å; F748-P932 HydrophobicContact CG-CG 3.88Å; F748-P932 HydrophobicContact CZ-CB 3.39Å; F748-P932 HydrophobicContact CZ-CG 3.65Å; F748-P932 WeakPolarHBondContact CZ-O 3.43Å; P932-I934 PolarHBondContact O-N 3.32Å; P932-E935 VanDerWaalsContact CA-CD 3.44Å; P932-E935 VanDerWaalsContact CA-OE2 3.25Å; P932-E935 WeakPolarHBondContact CA-OE2 3.28Å; P932-E935 VanDerWaalsContact CB-CD 3.46Å; P932-E935 HydrophobicContact CB-CG 4.5Å; P932-E935 WeakPolarHBondContact CB-OE1 3.41Å; P932-E935 WeakPolarHBondContact CB-OE2 3.49Å; P932-Q1006 PolarHBondContact O-NE2 3.07Å |
| 933 | G | 57.2 | Low | 63.2 | Low | 26 Ų | 26 | 50.1 Ų | 50.1 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 6.8 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114 | E935 I991 | G933-E935 PolarHBondContact N-OE2 2.94Å; G933-I991 WeakPolarHBondContact O-CG2 3.4Å |
| 934 | I | 64.2 | Low | 65.2 | Low | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -102.9 | -0.5 | 148.1 | -43.6 | -176.9 | 0 | 0 | 0 | 109.7 | L928 I931 P932 G936 A937 I984 A992 L1000 | L928-I934 HydrophobicContact CD1-CG2 4.29Å; I931-I934 HydrophobicContact CB-CD1 4.01Å; I931-I934 HydrophobicContact CB-CG1 4.38Å; I931-I934 HydrophobicContact CG2-CD1 4.02Å; I931-I934 HydrophobicContact CG2-CG1 4.24Å; I931-I934 VanDerWaalsContact O-CB 3.28Å; I931-I934 WeakPolarHBondContact O-CB 3.43Å; I931-I934 WeakPolarHBondContact O-CG1 3.46Å; I931-I934 PolarHBondContact O-N 3.37Å; I931-I934 VanDerWaalsContact O-N 3.1Å; P932-I934 PolarHBondContact O-N 3.32Å; I934-G936 PolarHBondContact O-N 3.02Å; I934-A937 HydrophobicContact CG2-CB 3.9Å; I934-A937 WeakPolarHBondContact O-CB 3.35Å; I934-A937 PolarHBondContact O-N 3.46Å; I934-I984 HydrophobicContact CG2-CG2 3.76Å; I934-A992 HydrophobicContact CD1-CB 4.47Å; I934-L1000 HydrophobicContact CD1-CD1 4.1Å; I934-L1000 HydrophobicContact CD1-CD2 4.36Å |
| 935 | E | 58.1 | Low | 67.4 | Low | 125 Ų | 125 | 48.6 Ų | 48.6 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 125.8 | 179.2 | -72.4 | 148.5 | 152.9 | 0 | 0 | 112.2 | P932 G933 R986 | P932-E935 VanDerWaalsContact CA-CD 3.44Å; P932-E935 VanDerWaalsContact CA-OE2 3.25Å; P932-E935 WeakPolarHBondContact CA-OE2 3.28Å; P932-E935 VanDerWaalsContact CB-CD 3.46Å; P932-E935 HydrophobicContact CB-CG 4.5Å; P932-E935 WeakPolarHBondContact CB-OE1 3.41Å; P932-E935 WeakPolarHBondContact CB-OE2 3.49Å; G933-E935 PolarHBondContact N-OE2 2.94Å; E935-R986 PolarHBondContact O-NH1 3.33Å |
| 936 | G | 62.3 | Low | 69.2 | Low | 47 Ų | 47 | 47.6 Ų | 47.6 | 49% | 0.485 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 23.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I934 R986 | I934-G936 PolarHBondContact O-N 3.02Å; G936-R986 WeakPolarHBondContact O-CB 3.43Å; G936-R986 WeakPolarHBondContact O-CD 3.28Å; G936-R986 WeakPolarHBondContact O-CG 3.1Å; G936-R986 PolarHBondContact O-NE 2.95Å |
| 937 | A | 66.5 | Low | 71.4 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | trans | -61.2 | 139 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111 | L925 L928 I934 I984 C985 I991 | L925-A937 WeakPolarHBondContact CD2-O 3.36Å; L928-A937 HydrophobicContact CD1-CB 4.46Å; I934-A937 HydrophobicContact CG2-CB 3.9Å; I934-A937 WeakPolarHBondContact O-CB 3.35Å; I934-A937 PolarHBondContact O-N 3.46Å; A937-I984 HydrophobicContact CB-CG2 3.69Å; A937-C985 CarbonylContact C-O 3.59Å; A937-C985 WeakPolarHBondContact CA-O 3.4Å; A937-C985 WeakPolarHBondContact CB-O 3.07Å; A937-I991 HydrophobicContact CB-CD1 3.93Å | ||
| 938 | D | 80.1 | Confident | 73.3 | Confident | 56 Ų | 56 | 44 Ų | 44 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | trans | -112.4 | -33.2 | -173.3 | 67.9 | -19 | 0 | 0 | 0 | 113.7 | C985 R986 N987 | D938-C985 PolarHBondContact N-O 2.87Å; D938-R986 WeakPolarHBondContact OD1-CA 3.44Å; D938-R986 PolarHBondContact OD1-N 3.24Å; D938-N987 VanDerWaalsContact CG-N 3.28Å; D938-N987 PolarHBondContact OD1-N 2.94Å; D938-N987 WeakPolarHBondContact OD2-CA 3.43Å; D938-N987 PolarHBondContact OD2-N 3.47Å | ||
| 939 | K | 82.2 | Confident | 75.3 | Confident | 83 Ų | 83 | 44.5 Ų | 44.5 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.4 | -172.7 | -57.5 | 171.5 | -159.6 | 178 | 0 | 111 | V941 C985 D988 | K939-V941 HydrophobicContact CB-CG2 4.48Å; K939-C985 HydrophobicContact CB-CB 4.33Å; K939-C985 PolarHBondContact O-N 3.44Å; K939-D988 WeakPolarHBondContact CD-OD1 3.39Å; K939-D988 IonicContact NZ-OD1 3.4Å; K939-D988 PolarHBondContact NZ-OD1 3.18Å; K939-D988 IonicContact NZ-OD2 2.89Å; K939-D988 PolarHBondContact NZ-OD2 3.33Å |
| 940 | V | 85.2 | Confident | 77.3 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.7 | 167.2 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | V923 L925 L928 I984 | V923-V940 HydrophobicContact CB-CB 4.43Å; V923-V940 HydrophobicContact CB-CG1 4.1Å; V923-V940 HydrophobicContact CG1-CG1 4.31Å; V923-V940 WeakPolarHBondContact O-CB 3.47Å; L925-V940 HydrophobicContact CD1-CG2 4Å; L925-V940 HydrophobicContact CG-CG2 4.42Å; L928-V940 HydrophobicContact CD1-CG2 4.22Å; V940-I984 HydrophobicContact CG1-CG1 4.49Å; V940-I984 HydrophobicContact CG2-CG1 4.26Å |
| 941 | V | 86.6 | Confident | 79.2 | Confident | 53 Ų | 53 | 39.7 Ų | 39.7 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.1 | -175.1 | -179 | 0 | 0 | 0 | 0 | 109.1 | K939 R983 | K939-V941 HydrophobicContact CB-CG2 4.48Å; V941-R983 PolarHBondContact N-O 2.99Å; V941-R983 WeakPolarHBondContact O-CA 3.47Å; V941-R983 VanDerWaalsContact O-CB 3.26Å; V941-R983 WeakPolarHBondContact O-CB 3.45Å; V941-R983 PolarHBondContact O-N 3.08Å |
| 942 | D | 87.1 | Confident | 81 | Confident | 57 Ų | 57 | 37.3 Ų | 37.3 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.4 | 178.3 | -100.7 | 2.2 | 0 | 0 | 0 | 112.1 | K980 S982 | D942-K980 HydrophobicContact CB-CD 4.2Å; D942-K980 WeakPolarHBondContact OD2-CD 3.11Å; D942-S982 WeakPolarHBondContact OD1-CA 3.38Å; D942-S982 VanDerWaalsContact OD1-CB 3.26Å; D942-S982 WeakPolarHBondContact OD1-CB 3.43Å; D942-S982 PolarHBondContact OD1-OG 2.92Å |
| 943 | L | 89.5 | Confident | 83.1 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.3 | 179.7 | -144.4 | 71.2 | 0 | 0 | 0 | 110.2 | K980 M981 R983 F993 L1016 I1044 F1050 | L943-K980 CarbonylContact O-C 3.58Å; L943-K980 WeakPolarHBondContact O-CA 3.48Å; L943-M981 WeakPolarHBondContact CA-O 3.49Å; L943-M981 WeakPolarHBondContact CB-O 3.44Å; L943-M981 HydrophobicContact CD2-CE 3.89Å; L943-M981 PolarHBondContact N-O 2.94Å; L943-M981 PolarHBondContact O-N 3.24Å; L943-R983 HydrophobicContact CD1-CB 4.47Å; L943-F993 HydrophobicContact CD2-CD1 4.47Å; L943-F993 HydrophobicContact CD2-CE1 4.1Å; L943-L1016 HydrophobicContact CD2-CD1 3.93Å; L943-I1044 HydrophobicContact CD2-CD1 3.69Å; L943-I1044 HydrophobicContact CG-CD1 4.27Å; L943-F1050 HydrophobicContact CD1-CB 3.55Å; L943-F1050 HydrophobicContact CD1-CD1 3.89Å; L943-F1050 HydrophobicContact CD1-CD2 4.31Å; L943-F1050 HydrophobicContact CD1-CG 3.68Å; L943-F1050 HydrophobicContact CD2-CB 4.5Å; L943-F1050 HydrophobicContact CD2-CD1 4.08Å; L943-F1050 HydrophobicContact CG-CB 4.2Å |
| 944 | A | 90.2 | Very high | 84.6 | Confident | 66 Ų | 66 | 42.3 Ų | 42.3 | 55% | 0.545 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 157.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P946 | A944-P946 WeakPolarHBondContact O-CD 3.46Š|
| 945 | L | 92.8 | Very high | 85.9 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | trans | -122 | 62.2 | 179.8 | -65.1 | -175.1 | 0 | 0 | 0 | 111.9 | Y976 S977 Y979 M981 R1020 V1023 | L945-Y976 HydrophobicContact CB-CD1 4.38Å; L945-Y976 HydrophobicContact CB-CE1 3.85Å; L945-Y976 HydrophobicContact CB-CE2 4.23Å; L945-Y976 HydrophobicContact CD1-CD2 4.37Å; L945-Y976 HydrophobicContact CD1-CE2 3.95Å; L945-Y976 WeakPolarHBondContact O-CE1 3.06Å; L945-S977 WeakPolarHBondContact O-CA 3.16Å; L945-Y979 VanDerWaalsContact CD1-O 3.25Å; L945-Y979 WeakPolarHBondContact CD1-O 3.44Å; L945-Y979 VanDerWaalsContact CG-O 3.26Å; L945-Y979 WeakPolarHBondContact CG-O 3.34Å; L945-M981 HydrophobicContact CD1-CB 4.4Å; L945-M981 HydrophobicContact CD2-CB 4.34Å; L945-M981 HydrophobicContact CD2-CE 4.16Å; L945-R1020 HydrophobicContact CD2-CG 3.97Å; L945-V1023 HydrophobicContact CD1-CB 4.24Å; L945-V1023 HydrophobicContact CD1-CG1 3.82Å; L945-V1023 HydrophobicContact CD1-CG2 4.06Å | ||
| 946 | P | 92.8 | Very high | 87.5 | Confident | 38 Ų | 38 | 36.3 Ų | 36.3 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | trans | -65.8 | 160.6 | -180 | 30.3 | -37.2 | 0 | 0 | 0 | 112.7 | A944 S1042 I1044 I1052 | A944-P946 WeakPolarHBondContact O-CD 3.46Å; P946-S1042 WeakPolarHBondContact O-CB 3.39Å; P946-I1044 HydrophobicContact CG-CG2 3.69Å; P946-I1052 HydrophobicContact CB-CB 4.3Å; P946-I1052 HydrophobicContact CG-CB 4.05Å | ||
| 947 | F | 93.8 | Very high | 88.7 | Confident | 34 Ų | 34 | 38.7 Ų | 38.7 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | trans | -146.9 | 155.3 | 168.3 | 76.6 | -77.4 | 0 | 0 | 0 | 110 | E949 L952 M973 R974 A1041 I1052 | F947-E949 HydrophobicContact CE2-CB 3.88Å; F947-E949 HydrophobicContact CE2-CG 4.3Å; F947-L952 HydrophobicContact CD2-CD2 3.92Å; F947-L952 HydrophobicContact CE2-CD2 3.89Å; F947-M973 HydrophobicContact CB-CE 3.34Å; F947-M973 HydrophobicContact CD1-CB 4.24Å; F947-M973 HydrophobicContact CD1-CE 4.13Å; F947-M973 HydrophobicContact CD2-CB 3.92Å; F947-M973 HydrophobicContact CD2-CE 4Å; F947-M973 VanDerWaalsContact CE1-C 3.43Å; F947-M973 HydrophobicContact CE1-CB 4.11Å; F947-M973 VanDerWaalsContact CE1-O 3.3Å; F947-M973 WeakPolarHBondContact CE1-O 3.2Å; F947-M973 HydrophobicContact CE2-CB 3.75Å; F947-M973 HydrophobicContact CG-CB 4.17Å; F947-M973 HydrophobicContact CG-CE 3.56Å; F947-M973 HydrophobicContact CZ-CB 3.86Å; F947-R974 HydrophobicContact CE1-CG 4.26Å; F947-R974 HydrophobicContact CZ-CG 3.82Å; F947-A1041 WeakPolarHBondContact CA-O 3.46Å; F947-I1052 VanDerWaalsContact C-CD1 3.41Å | ||
| 948 | S | 94.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | trans | -89.5 | 119.5 | 170 | 168 | 0 | 0 | 0 | 0 | 108.6 | P950 V951 L952 A1041 I1052 D1055 | S948-P950 WeakPolarHBondContact OG-CD 3.47Å; S948-V951 WeakPolarHBondContact OG-CB 3.47Å; S948-V951 WeakPolarHBondContact OG-CG2 3.38Å; S948-V951 PolarHBondContact OG-N 3.44Å; S948-V951 VanDerWaalsContact OG-N 3.12Å; S948-L952 WeakPolarHBondContact O-CB 3.26Å; S948-L952 PolarHBondContact O-N 3.3Å; S948-L952 VanDerWaalsContact O-N 3.11Å; S948-A1041 PolarHBondContact N-O 2.78Å; S948-I1052 VanDerWaalsContact N-CD1 3.26Å; S948-D1055 WeakPolarHBondContact CB-OD1 3.1Å; S948-D1055 PolarHBondContact OG-OD1 3.2Å; S948-D1055 PolarHBondContact OG-OD2 2.94Å | ||
| 949 | E | 92.1 | Very high | 89.6 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.6 | -43.8 | 172.2 | -167.5 | 171.2 | 139 | 0 | 0 | 112.4 | F947 V951 L952 R953 V970 R974 | F947-E949 HydrophobicContact CE2-CB 3.88Å; F947-E949 HydrophobicContact CE2-CG 4.3Å; E949-V951 PolarHBondContact O-N 3.09Å; E949-L952 PolarHBondContact O-N 3.16Å; E949-R953 HydrophobicContact CG-CG 4.24Å; E949-R953 WeakPolarHBondContact O-CB 3.38Å; E949-R953 WeakPolarHBondContact O-CG 3.34Å; E949-R953 PolarHBondContact O-N 3.45Å; E949-R953 IonicContact OE1-CZ 3.2Å; E949-R953 IonicContact OE1-NE 2.82Å; E949-R953 PolarHBondContact OE1-NE 2.77Å; E949-R953 VanDerWaalsContact OE1-NE 3.08Å; E949-R953 IonicContact OE1-NH2 3.7Å; E949-V970 HydrophobicContact CG-CG1 3.92Å; E949-V970 HydrophobicContact CG-CG2 4.05Å; E949-V970 WeakPolarHBondContact OE1-CG1 3.28Å; E949-V970 VanDerWaalsContact OE2-CG1 3.28Å; E949-V970 WeakPolarHBondContact OE2-CG1 3.45Å; E949-R974 IonicContact OE1-CZ 3.8Å; E949-R974 IonicContact OE1-NH2 3.3Å; E949-R974 PolarHBondContact OE1-NH2 3.22Å; E949-R974 IonicContact OE2-CZ 3.72Å; E949-R974 VanDerWaalsContact OE2-CZ 3.24Å; E949-R974 IonicContact OE2-NE 3.35Å; E949-R974 PolarHBondContact OE2-NE 3.11Å; E949-R974 IonicContact OE2-NH2 3.04Å; E949-R974 PolarHBondContact OE2-NH2 3.02Å |
| 950 | P | 91.6 | Very high | 89.6 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 53% | 0.532 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.1 | -48 | 176.7 | -25.6 | 34.7 | 0 | 0 | 0 | 113.1 | S948 L952 R953 H954 | S948-P950 WeakPolarHBondContact OG-CD 3.47Å; P950-L952 VanDerWaalsContact C-N 3.35Å; P950-L952 PolarHBondContact O-N 3.37Å; P950-R953 PolarHBondContact O-N 3.35Å; P950-H954 WeakPolarHBondContact O-CB 3.49Å; P950-H954 PolarHBondContact O-N 2.89Å |
| 951 | V | 91.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.6 | -31.9 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | S948 E949 L955 A1041 D1055 L1058 L1059 | S948-V951 WeakPolarHBondContact OG-CB 3.47Å; S948-V951 WeakPolarHBondContact OG-CG2 3.38Å; S948-V951 PolarHBondContact OG-N 3.44Å; S948-V951 VanDerWaalsContact OG-N 3.12Å; E949-V951 PolarHBondContact O-N 3.09Å; V951-L955 HydrophobicContact CG1-CD1 3.69Å; V951-L955 HydrophobicContact CG1-CG 3.98Å; V951-L955 VanDerWaalsContact O-CB 3.24Å; V951-L955 WeakPolarHBondContact O-CB 3.47Å; V951-L955 WeakPolarHBondContact O-CG 3.41Å; V951-L955 PolarHBondContact O-N 2.87Å; V951-A1041 HydrophobicContact CG1-CB 4.46Å; V951-D1055 HydrophobicContact CG2-CB 3.57Å; V951-D1055 VanDerWaalsContact CG2-CG 3.5Å; V951-D1055 WeakPolarHBondContact CG2-O 3.25Å; V951-L1058 HydrophobicContact CB-CB 4.43Å; V951-L1058 HydrophobicContact CG1-CB 3.91Å; V951-L1058 HydrophobicContact CG2-CB 4.23Å; V951-L1058 HydrophobicContact CG2-CD1 4.44Å; V951-L1059 HydrophobicContact CG1-CB 4.42Å |
| 952 | L | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 173.3 | 178.3 | 62.6 | 0 | 0 | 0 | 111.6 | F947 S948 E949 P950 L956 I969 V970 M973 I1037 A1041 | F947-L952 HydrophobicContact CD2-CD2 3.92Å; F947-L952 HydrophobicContact CE2-CD2 3.89Å; S948-L952 WeakPolarHBondContact O-CB 3.26Å; S948-L952 PolarHBondContact O-N 3.3Å; S948-L952 VanDerWaalsContact O-N 3.11Å; E949-L952 PolarHBondContact O-N 3.16Å; P950-L952 VanDerWaalsContact C-N 3.35Å; P950-L952 PolarHBondContact O-N 3.37Å; L952-L956 HydrophobicContact CD1-CD1 3.85Å; L952-L956 HydrophobicContact CD1-CG 4.21Å; L952-L956 HydrophobicContact CG-CD1 3.92Å; L952-L956 WeakPolarHBondContact O-CB 3.35Å; L952-L956 WeakPolarHBondContact O-CD1 3.34Å; L952-L956 WeakPolarHBondContact O-CG 3.46Å; L952-L956 PolarHBondContact O-N 3.08Å; L952-I969 HydrophobicContact CD1-CG2 4.39Å; L952-V970 HydrophobicContact CD2-CG2 3.96Å; L952-V970 HydrophobicContact CG-CG2 4.44Å; L952-M973 HydrophobicContact CD2-CB 3.73Å; L952-M973 HydrophobicContact CD2-CG 3.6Å; L952-I1037 HydrophobicContact CD1-CG2 4.37Å; L952-A1041 HydrophobicContact CB-CB 3.76Å; L952-A1041 HydrophobicContact CD1-CB 4.08Å |
| 953 | R | 93.3 | Very high | 89.2 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.5 | -58.1 | 176.7 | -73.5 | 178 | 163 | -81.1 | 0.7 | 110.5 | E949 P950 L955 L956 E957 E963 I966 V970 | E949-R953 HydrophobicContact CG-CG 4.24Å; E949-R953 WeakPolarHBondContact O-CB 3.38Å; E949-R953 WeakPolarHBondContact O-CG 3.34Å; E949-R953 PolarHBondContact O-N 3.45Å; E949-R953 IonicContact OE1-CZ 3.2Å; E949-R953 IonicContact OE1-NE 2.82Å; E949-R953 PolarHBondContact OE1-NE 2.77Å; E949-R953 VanDerWaalsContact OE1-NE 3.08Å; E949-R953 IonicContact OE1-NH2 3.7Å; P950-R953 PolarHBondContact O-N 3.35Å; R953-L955 VanDerWaalsContact C-N 3.31Å; R953-L955 PolarHBondContact O-N 2.82Å; R953-L956 WeakPolarHBondContact O-CA 3.49Å; R953-L956 WeakPolarHBondContact O-CB 3.37Å; R953-L956 PolarHBondContact O-N 3.02Å; R953-E957 WeakPolarHBondContact CB-OE1 3.42Å; R953-E957 VanDerWaalsContact O-CG 3.32Å; R953-E957 WeakPolarHBondContact O-CG 3.49Å; R953-E957 PolarHBondContact O-N 2.89Å; R953-E963 IonicContact CZ-OE1 3.57Å; R953-E963 IonicContact NH1-OE1 2.65Å; R953-E963 PolarHBondContact NH1-OE1 2.76Å; R953-I966 HydrophobicContact CB-CG2 4.28Å; R953-I966 HydrophobicContact CG-CG2 3.79Å; R953-V970 HydrophobicContact CG-CG2 4.01Å |
| 954 | H | 89.8 | Confident | 88.9 | Confident | 75 Ų | 75 | 41.5 Ų | 41.5 | 35% | 0.347 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -38 | 179.6 | -178.3 | 83.4 | 0 | 0 | 0 | 114 | P950 E957 S958 L1059 | P950-H954 WeakPolarHBondContact O-CB 3.49Å; P950-H954 PolarHBondContact O-N 2.89Å; H954-E957 PolarHBondContact N-OE1 2.65Å; H954-S958 PolarHBondContact NE2-OG 3.01Å; H954-S958 WeakPolarHBondContact O-CB 3.36Å; H954-S958 PolarHBondContact O-N 3.3Å; H954-S958 PolarHBondContact O-OG 2.93Å; H954-L1059 VanDerWaalsContact CD2-CD1 3.43Å; H954-L1059 WeakPolarHBondContact CD2-CD1 3.38Å |
| 955 | L | 90.5 | Very high | 88.7 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.9 | -30.6 | 176.2 | -71.6 | 177 | 0 | 0 | 0 | 113.3 | V951 R953 S959 I1037 Q1040 A1041 L1059 A1062 M1063 | V951-L955 HydrophobicContact CG1-CD1 3.69Å; V951-L955 HydrophobicContact CG1-CG 3.98Å; V951-L955 VanDerWaalsContact O-CB 3.24Å; V951-L955 WeakPolarHBondContact O-CB 3.47Å; V951-L955 WeakPolarHBondContact O-CG 3.41Å; V951-L955 PolarHBondContact O-N 2.87Å; R953-L955 VanDerWaalsContact C-N 3.31Å; R953-L955 PolarHBondContact O-N 2.82Å; L955-S959 VanDerWaalsContact O-CB 3.22Å; L955-S959 WeakPolarHBondContact O-CB 3.48Å; L955-S959 PolarHBondContact O-N 2.53Å; L955-S959 PolarHBondContact O-OG 2.99Å; L955-I1037 HydrophobicContact CB-CG2 3.72Å; L955-I1037 HydrophobicContact CD1-CG2 4.43Å; L955-Q1040 HydrophobicContact CD1-CB 4.19Å; L955-A1041 HydrophobicContact CD1-CB 4.42Å; L955-L1059 HydrophobicContact CD2-CD1 4.02Å; L955-A1062 HydrophobicContact CD1-CB 3.64Å; L955-A1062 HydrophobicContact CD2-CB 3.6Å; L955-A1062 HydrophobicContact CG-CB 4.27Å; L955-M1063 HydrophobicContact CD2-CE 3.53Å |
| 956 | L | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.2 | -47.1 | 174.6 | -70.9 | 169 | 0 | 0 | 0 | 110.5 | L952 R953 S959 G960 A961 I966 I969 F1034 I1037 | L952-L956 HydrophobicContact CD1-CD1 3.85Å; L952-L956 HydrophobicContact CD1-CG 4.21Å; L952-L956 HydrophobicContact CG-CD1 3.92Å; L952-L956 WeakPolarHBondContact O-CB 3.35Å; L952-L956 WeakPolarHBondContact O-CD1 3.34Å; L952-L956 WeakPolarHBondContact O-CG 3.46Å; L952-L956 PolarHBondContact O-N 3.08Å; R953-L956 WeakPolarHBondContact O-CA 3.49Å; R953-L956 WeakPolarHBondContact O-CB 3.37Å; R953-L956 PolarHBondContact O-N 3.02Å; L956-S959 WeakPolarHBondContact CA-OG 3.13Å; L956-S959 CarbonylContact O-C 3.59Å; L956-S959 PolarHBondContact O-N 2.66Å; L956-S959 VanDerWaalsContact O-N 3.08Å; L956-S959 PolarHBondContact O-OG 3.23Å; L956-G960 PolarHBondContact O-N 3.25Å; L956-A961 HydrophobicContact CB-CB 3.98Å; L956-A961 WeakPolarHBondContact O-CB 3.36Å; L956-A961 PolarHBondContact O-N 3.36Å; L956-I966 HydrophobicContact CB-CD1 4.44Å; L956-I966 HydrophobicContact CB-CG1 3.82Å; L956-I966 HydrophobicContact CD1-CG1 4.37Å; L956-I966 HydrophobicContact CD1-CG2 4.38Å; L956-I969 HydrophobicContact CD1-CB 4.05Å; L956-I969 HydrophobicContact CD1-CG2 3.79Å; L956-F1034 HydrophobicContact CD2-CD1 3.57Å; L956-F1034 HydrophobicContact CD2-CE1 3.98Å; L956-I1037 HydrophobicContact CD2-CD1 4.11Å; L956-I1037 HydrophobicContact CD2-CG2 4.05Å; L956-I1037 HydrophobicContact CG-CG2 4.24Å |
| 957 | E | 88.4 | Confident | 88.5 | Confident | 96 Ų | 96 | 43 Ų | 43 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -51.8 | -57 | 171.3 | -66.4 | 155.1 | -142.8 | 0 | 0 | 111.2 | R953 H954 S959 G960 I966 | R953-E957 WeakPolarHBondContact CB-OE1 3.42Å; R953-E957 VanDerWaalsContact O-CG 3.32Å; R953-E957 WeakPolarHBondContact O-CG 3.49Å; R953-E957 PolarHBondContact O-N 2.89Å; H954-E957 PolarHBondContact N-OE1 2.65Å; E957-S959 PolarHBondContact O-N 3.2Å; E957-G960 PolarHBondContact O-N 3.2Å; E957-I966 HydrophobicContact CG-CD1 3.65Å |
| 958 | S | 85 | Confident | 88.4 | Confident | 72 Ų | 72 | 44.2 Ų | 44.2 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.2 | 178.4 | -66.1 | 0 | 0 | 0 | 0 | 114.1 | H954 | H954-S958 PolarHBondContact NE2-OG 3.01Å; H954-S958 WeakPolarHBondContact O-CB 3.36Å; H954-S958 PolarHBondContact O-N 3.3Å; H954-S958 PolarHBondContact O-OG 2.93Å |
| 959 | S | 80.9 | Confident | 88.3 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -6 | 178.7 | 76.5 | 0 | 0 | 0 | 0 | 114.2 | L955 L956 E957 I1067 L1069 | L955-S959 VanDerWaalsContact O-CB 3.22Å; L955-S959 WeakPolarHBondContact O-CB 3.48Å; L955-S959 PolarHBondContact O-N 2.53Å; L955-S959 PolarHBondContact O-OG 2.99Å; L956-S959 WeakPolarHBondContact CA-OG 3.13Å; L956-S959 CarbonylContact O-C 3.59Å; L956-S959 PolarHBondContact O-N 2.66Å; L956-S959 VanDerWaalsContact O-N 3.08Å; L956-S959 PolarHBondContact O-OG 3.23Å; E957-S959 PolarHBondContact O-N 3.2Å; S959-I1067 VanDerWaalsContact CB-O 3.23Å; S959-I1067 WeakPolarHBondContact CB-O 3.33Å; S959-L1069 WeakPolarHBondContact O-CB 3.15Å; S959-L1069 PolarHBondContact O-N 3.48Å; S959-L1069 WeakPolarHBondContact OG-CD1 3.35Å; S959-L1069 WeakPolarHBondContact OG-CG 3.15Å |
| 960 | G | 82.4 | Confident | 88.4 | Confident | 57 Ų | 57 | 41.8 Ų | 41.8 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | 27.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L956 E957 | L956-G960 PolarHBondContact O-N 3.25Å; E957-G960 PolarHBondContact O-N 3.2Å |
| 961 | A | 81.1 | Confident | 88.4 | Confident | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | trans | -82.6 | 136.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L956 I966 L1069 L1072 | L956-A961 HydrophobicContact CB-CB 3.98Å; L956-A961 WeakPolarHBondContact O-CB 3.36Å; L956-A961 PolarHBondContact O-N 3.36Å; A961-I966 HydrophobicContact CB-CD1 4.46Å; A961-I966 HydrophobicContact CB-CG1 3.98Å; A961-L1069 HydrophobicContact CB-CD1 4.32Å; A961-L1072 HydrophobicContact CB-CD2 4.4Å | ||
| 962 | P | 85 | Confident | 88.5 | Confident | 40 Ų | 40 | 43.4 Ų | 43.4 | 26% | 0.26 | 24% | 0.238 | S | C | . | . | trans | -78.6 | 157.5 | 170.1 | 34.3 | -36.3 | 0 | 0 | 0 | 111.3 | H964 H965 I966 L1072 | P962-H964 WeakPolarHBondContact CG-CE1 3.43Å; P962-H964 WeakPolarHBondContact CG-NE2 3.47Å; P962-H964 PolarHBondContact O-N 3.48Å; P962-H965 HydrophobicContact CG-CB 4.21Å; P962-H965 WeakPolarHBondContact CG-ND1 3.28Å; P962-H965 WeakPolarHBondContact O-CA 3.33Å; P962-H965 WeakPolarHBondContact O-CB 3.24Å; P962-H965 PolarHBondContact O-N 2.89Å; P962-I966 PolarHBondContact O-N 3.39Å; P962-I966 VanDerWaalsContact O-N 3.13Å; P962-L1072 HydrophobicContact CG-CD2 4.37Å | ||
| 963 | E | 84.2 | Confident | 88.6 | Confident | 90 Ų | 90 | 43.4 Ų | 43.4 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56 | -41.8 | -169.6 | -164.9 | 57.1 | -149.8 | 0 | 0 | 114.2 | R953 H965 I966 E967 | R953-E963 IonicContact CZ-OE1 3.57Å; R953-E963 IonicContact NH1-OE1 2.65Å; R953-E963 PolarHBondContact NH1-OE1 2.76Å; E963-H965 PolarHBondContact O-N 3.42Å; E963-H965 VanDerWaalsContact O-N 3.15Å; E963-I966 CarbonylContact O-C 3.59Å; E963-I966 WeakPolarHBondContact O-CA 3.44Å; E963-I966 WeakPolarHBondContact O-CB 3.35Å; E963-I966 PolarHBondContact O-N 3.39Å; E963-I966 WeakPolarHBondContact OE2-CD1 3.34Å; E963-E967 HydrophobicContact CG-CG 4.43Å; E963-E967 PolarHBondContact O-N 3.5Å |
| 964 | H | 83.9 | Confident | 88.6 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.2 | -30.5 | 176.5 | 64.2 | -100.8 | 0 | 0 | 0 | 113.7 | P962 D968 V1075 | P962-H964 WeakPolarHBondContact CG-CE1 3.43Å; P962-H964 WeakPolarHBondContact CG-NE2 3.47Å; P962-H964 PolarHBondContact O-N 3.48Å; H964-D968 WeakPolarHBondContact O-CB 3.4Å; H964-D968 PolarHBondContact O-N 2.89Å; H964-V1075 PolarHBondContact CE1-O 3.42Å; H964-V1075 PolarHBondContact ND1-O 2.85Å; H964-V1075 PolarHBondContact NE2-O 3.12Å |
| 965 | H | 85.5 | Confident | 88.6 | Confident | 32 Ų | 32 | 46 Ų | 46 | 15% | 0.148 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -81.1 | -27.9 | 173.1 | -79.9 | 129.8 | 0 | 0 | 0 | 111.7 | P962 E963 I969 | P962-H965 HydrophobicContact CG-CB 4.21Å; P962-H965 WeakPolarHBondContact CG-ND1 3.28Å; P962-H965 WeakPolarHBondContact O-CA 3.33Å; P962-H965 WeakPolarHBondContact O-CB 3.24Å; P962-H965 PolarHBondContact O-N 2.89Å; E963-H965 PolarHBondContact O-N 3.42Å; E963-H965 VanDerWaalsContact O-N 3.15Å; H965-I969 WeakPolarHBondContact O-CB 3.4Å; H965-I969 WeakPolarHBondContact O-CG1 3.33Å; H965-I969 PolarHBondContact O-N 3.27Å; H965-I969 VanDerWaalsContact O-N 3.12Å |
| 966 | I | 90.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -50.5 | 172.5 | -64.5 | 167.1 | 0 | 0 | 0 | 108.9 | R953 L956 E957 A961 P962 E963 D968 I969 V970 | R953-I966 HydrophobicContact CB-CG2 4.28Å; R953-I966 HydrophobicContact CG-CG2 3.79Å; L956-I966 HydrophobicContact CB-CD1 4.44Å; L956-I966 HydrophobicContact CB-CG1 3.82Å; L956-I966 HydrophobicContact CD1-CG1 4.37Å; L956-I966 HydrophobicContact CD1-CG2 4.38Å; E957-I966 HydrophobicContact CG-CD1 3.65Å; A961-I966 HydrophobicContact CB-CD1 4.46Å; A961-I966 HydrophobicContact CB-CG1 3.98Å; P962-I966 PolarHBondContact O-N 3.39Å; P962-I966 VanDerWaalsContact O-N 3.13Å; E963-I966 CarbonylContact O-C 3.59Å; E963-I966 WeakPolarHBondContact O-CA 3.44Å; E963-I966 WeakPolarHBondContact O-CB 3.35Å; E963-I966 PolarHBondContact O-N 3.39Å; E963-I966 WeakPolarHBondContact OE2-CD1 3.34Å; I966-D968 PolarHBondContact O-N 3.02Å; I966-I969 PolarHBondContact O-N 3.37Å; I966-V970 HydrophobicContact CG2-CG2 4.23Å; I966-V970 VanDerWaalsContact O-CB 3.29Å; I966-V970 WeakPolarHBondContact O-CB 3.33Å; I966-V970 VanDerWaalsContact O-CG2 3.23Å; I966-V970 WeakPolarHBondContact O-CG2 3.39Å; I966-V970 PolarHBondContact O-N 2.87Å |
| 967 | E | 91 | Very high | 88.9 | Confident | 105 Ų | 105 | 48 Ų | 48 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 178.1 | -66 | -175 | 135.8 | 0 | 0 | 113.5 | E963 S971 | E963-E967 HydrophobicContact CG-CG 4.43Å; E963-E967 PolarHBondContact O-N 3.5Å; E967-S971 VanDerWaalsContact O-CB 3.26Å; E967-S971 WeakPolarHBondContact O-CB 3.48Å; E967-S971 PolarHBondContact O-N 2.88Å; E967-S971 PolarHBondContact O-OG 2.96Å |
| 968 | D | 90.8 | Very high | 89.1 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 175.5 | 173.1 | 69.1 | 0 | 0 | 0 | 112.3 | H964 I966 K972 | H964-D968 WeakPolarHBondContact O-CB 3.4Å; H964-D968 PolarHBondContact O-N 2.89Å; I966-D968 PolarHBondContact O-N 3.02Å; D968-K972 WeakPolarHBondContact O-CD 3.42Å; D968-K972 WeakPolarHBondContact O-CG 3.4Å; D968-K972 PolarHBondContact O-N 2.68Å; D968-K972 WeakPolarHBondContact OD1-CE 3.46Å; D968-K972 IonicContact OD1-NZ 2.76Å; D968-K972 PolarHBondContact OD1-NZ 3.17Å; D968-K972 IonicContact OD2-NZ 2.77Å; D968-K972 PolarHBondContact OD2-NZ 3.1Å |
| 969 | I | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -75.1 | -37.3 | 179.5 | -65.8 | -67.5 | 0 | 0 | 0 | 111.5 | L952 L956 H965 I966 K972 M973 I1030 F1034 | L952-I969 HydrophobicContact CD1-CG2 4.39Å; L956-I969 HydrophobicContact CD1-CB 4.05Å; L956-I969 HydrophobicContact CD1-CG2 3.79Å; H965-I969 WeakPolarHBondContact O-CB 3.4Å; H965-I969 WeakPolarHBondContact O-CG1 3.33Å; H965-I969 PolarHBondContact O-N 3.27Å; H965-I969 VanDerWaalsContact O-N 3.12Å; I966-I969 PolarHBondContact O-N 3.37Å; I969-K972 PolarHBondContact O-N 3.3Å; I969-M973 WeakPolarHBondContact O-CB 3.42Å; I969-M973 WeakPolarHBondContact O-CG 3.44Å; I969-M973 PolarHBondContact O-N 3.1Å; I969-I1030 HydrophobicContact CD1-CG2 4.28Å; I969-F1034 HydrophobicContact CD1-CB 3.86Å; I969-F1034 HydrophobicContact CD1-CD1 4.41Å; I969-F1034 HydrophobicContact CD1-CD2 3.55Å; I969-F1034 HydrophobicContact CD1-CE2 4.15Å; I969-F1034 HydrophobicContact CD1-CG 3.7Å; I969-F1034 HydrophobicContact CG1-CB 4.44Å; I969-F1034 HydrophobicContact CG1-CD1 4.22Å; I969-F1034 HydrophobicContact CG1-CD2 4.1Å; I969-F1034 HydrophobicContact CG1-CE1 4.47Å; I969-F1034 HydrophobicContact CG1-CE2 4.38Å; I969-F1034 HydrophobicContact CG1-CG 4.02Å |
| 970 | V | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 170.1 | 162.5 | 0 | 0 | 0 | 0 | 110.4 | E949 L952 R953 I966 K972 M973 R974 | E949-V970 HydrophobicContact CG-CG1 3.92Å; E949-V970 HydrophobicContact CG-CG2 4.05Å; E949-V970 WeakPolarHBondContact OE1-CG1 3.28Å; E949-V970 VanDerWaalsContact OE2-CG1 3.28Å; E949-V970 WeakPolarHBondContact OE2-CG1 3.45Å; L952-V970 HydrophobicContact CD2-CG2 3.96Å; L952-V970 HydrophobicContact CG-CG2 4.44Å; R953-V970 HydrophobicContact CG-CG2 4.01Å; I966-V970 HydrophobicContact CG2-CG2 4.23Å; I966-V970 VanDerWaalsContact O-CB 3.29Å; I966-V970 WeakPolarHBondContact O-CB 3.33Å; I966-V970 VanDerWaalsContact O-CG2 3.23Å; I966-V970 WeakPolarHBondContact O-CG2 3.39Å; I966-V970 PolarHBondContact O-N 2.87Å; V970-K972 VanDerWaalsContact C-N 3.33Å; V970-K972 PolarHBondContact O-N 3.35Å; V970-M973 CarbonylContact O-C 3.56Å; V970-M973 WeakPolarHBondContact O-CA 3.41Å; V970-M973 WeakPolarHBondContact O-CB 3.31Å; V970-M973 PolarHBondContact O-N 3.32Å; V970-R974 WeakPolarHBondContact O-CG 3.27Å; V970-R974 PolarHBondContact O-N 3.32Å |
| 971 | S | 92.1 | Very high | 90.2 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 178.2 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | E967 M973 R974 V975 | E967-S971 VanDerWaalsContact O-CB 3.26Å; E967-S971 WeakPolarHBondContact O-CB 3.48Å; E967-S971 PolarHBondContact O-N 2.88Å; E967-S971 PolarHBondContact O-OG 2.96Å; S971-M973 VanDerWaalsContact C-N 3.31Å; S971-M973 PolarHBondContact O-N 3.39Å; S971-R974 PolarHBondContact O-N 3.1Å; S971-V975 PolarHBondContact O-N 2.96Å; S971-V975 VanDerWaalsContact O-N 3.13Å |
| 972 | K | 93.4 | Very high | 90.7 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.9 | -29.1 | 173.1 | -71.6 | 164.7 | -171.7 | 162.1 | 0 | 112.8 | D968 I969 V970 V975 Y976 A1028 I1030 | D968-K972 WeakPolarHBondContact O-CD 3.42Å; D968-K972 WeakPolarHBondContact O-CG 3.4Å; D968-K972 PolarHBondContact O-N 2.68Å; D968-K972 WeakPolarHBondContact OD1-CE 3.46Å; D968-K972 IonicContact OD1-NZ 2.76Å; D968-K972 PolarHBondContact OD1-NZ 3.17Å; D968-K972 IonicContact OD2-NZ 2.77Å; D968-K972 PolarHBondContact OD2-NZ 3.1Å; I969-K972 PolarHBondContact O-N 3.3Å; V970-K972 VanDerWaalsContact C-N 3.33Å; V970-K972 PolarHBondContact O-N 3.35Å; K972-V975 PolarHBondContact O-N 3.11Å; K972-Y976 PolarHBondContact O-N 2.98Å; K972-A1028 WeakPolarHBondContact O-CB 3.4Å; K972-I1030 HydrophobicContact CB-CD1 4.44Å; K972-I1030 HydrophobicContact CB-CG1 3.82Å |
| 973 | M | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.2 | -34 | 174.3 | -78.8 | -65.8 | -61.7 | 0 | 0 | 113 | F947 L952 I969 V970 S971 V975 Y976 S977 M1024 I1030 C1038 | F947-M973 HydrophobicContact CB-CE 3.34Å; F947-M973 HydrophobicContact CD1-CB 4.24Å; F947-M973 HydrophobicContact CD1-CE 4.13Å; F947-M973 HydrophobicContact CD2-CB 3.92Å; F947-M973 HydrophobicContact CD2-CE 4Å; F947-M973 VanDerWaalsContact CE1-C 3.43Å; F947-M973 HydrophobicContact CE1-CB 4.11Å; F947-M973 VanDerWaalsContact CE1-O 3.3Å; F947-M973 WeakPolarHBondContact CE1-O 3.2Å; F947-M973 HydrophobicContact CE2-CB 3.75Å; F947-M973 HydrophobicContact CG-CB 4.17Å; F947-M973 HydrophobicContact CG-CE 3.56Å; F947-M973 HydrophobicContact CZ-CB 3.86Å; L952-M973 HydrophobicContact CD2-CB 3.73Å; L952-M973 HydrophobicContact CD2-CG 3.6Å; I969-M973 WeakPolarHBondContact O-CB 3.42Å; I969-M973 WeakPolarHBondContact O-CG 3.44Å; I969-M973 PolarHBondContact O-N 3.1Å; V970-M973 CarbonylContact O-C 3.56Å; V970-M973 WeakPolarHBondContact O-CA 3.41Å; V970-M973 WeakPolarHBondContact O-CB 3.31Å; V970-M973 PolarHBondContact O-N 3.32Å; S971-M973 VanDerWaalsContact C-N 3.31Å; S971-M973 PolarHBondContact O-N 3.39Å; M973-V975 VanDerWaalsContact C-N 3.32Å; M973-V975 PolarHBondContact O-N 3.43Å; M973-Y976 HydrophobicContact CE-CD1 3.55Å; M973-Y976 HydrophobicContact CE-CE1 3.83Å; M973-Y976 HydrophobicContact CE-CG 4.25Å; M973-Y976 WeakPolarHBondContact O-CA 3.49Å; M973-Y976 WeakPolarHBondContact O-CB 3.17Å; M973-Y976 PolarHBondContact O-N 2.83Å; M973-Y976 VanDerWaalsContact O-N 3.1Å; M973-Y976 HydrophobicContact SD-CD1 4Å; M973-Y976 HydrophobicContact SD-CG 4.11Å; M973-S977 PolarHBondContact O-N 3.39Å; M973-M1024 HydrophobicContact CE-CE 4.12Å; M973-M1024 HydrophobicContact SD-CE 4.15Å; M973-I1030 HydrophobicContact CG-CD1 3.9Å; M973-I1030 HydrophobicContact SD-CD1 3.39Å; M973-I1030 WeakPolarHBondContact SD-CD1 3.46Å; M973-C1038 HydrophobicContact CE-CB 4.41Å; M973-C1038 HydrophobicContact CG-CB 4.37Å; M973-C1038 HydrophobicContact SD-CB 3.66Å |
| 974 | R | 93.8 | Very high | 91.1 | Very high | 127 Ų | 127 | 47.1 Ų | 47.1 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.7 | -44 | 166.5 | -64.9 | 177 | -174 | 175.5 | 1.5 | 110.5 | F947 E949 V970 S971 Y976 S977 T978 | F947-R974 HydrophobicContact CE1-CG 4.26Å; F947-R974 HydrophobicContact CZ-CG 3.82Å; E949-R974 IonicContact OE1-CZ 3.8Å; E949-R974 IonicContact OE1-NH2 3.3Å; E949-R974 PolarHBondContact OE1-NH2 3.22Å; E949-R974 IonicContact OE2-CZ 3.72Å; E949-R974 VanDerWaalsContact OE2-CZ 3.24Å; E949-R974 IonicContact OE2-NE 3.35Å; E949-R974 PolarHBondContact OE2-NE 3.11Å; E949-R974 IonicContact OE2-NH2 3.04Å; E949-R974 PolarHBondContact OE2-NH2 3.02Å; V970-R974 WeakPolarHBondContact O-CG 3.27Å; V970-R974 PolarHBondContact O-N 3.32Å; S971-R974 PolarHBondContact O-N 3.1Å; R974-Y976 PolarHBondContact O-N 3.29Å; R974-S977 PolarHBondContact O-N 2.97Å; R974-S977 VanDerWaalsContact O-N 3.15Å; R974-S977 PolarHBondContact O-OG 3.09Å; R974-T978 PolarHBondContact O-N 2.88Å |
| 975 | V | 90.9 | Very high | 91.2 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 40% | 0.4 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.8 | -35.2 | 171.9 | 174.8 | 0 | 0 | 0 | 0 | 112.8 | S971 K972 M973 S977 T978 Y979 | S971-V975 PolarHBondContact O-N 2.96Å; S971-V975 VanDerWaalsContact O-N 3.13Å; K972-V975 PolarHBondContact O-N 3.11Å; M973-V975 VanDerWaalsContact C-N 3.32Å; M973-V975 PolarHBondContact O-N 3.43Å; V975-S977 VanDerWaalsContact C-N 3.35Å; V975-S977 PolarHBondContact O-N 2.89Å; V975-T978 PolarHBondContact O-N 2.66Å; V975-T978 PolarHBondContact O-OG1 2.63Å; V975-Y979 HydrophobicContact CG1-CE2 4.1Å; V975-Y979 VanDerWaalsContact O-CD2 3.26Å; V975-Y979 WeakPolarHBondContact O-CD2 3.37Å; V975-Y979 WeakPolarHBondContact O-CE2 3.11Å |
| 976 | Y | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 171.5 | 159.1 | -91 | 0 | 0 | 0 | 112 | L945 K972 M973 R974 T978 Y979 R1020 V1023 M1024 | L945-Y976 HydrophobicContact CB-CD1 4.38Å; L945-Y976 HydrophobicContact CB-CE1 3.85Å; L945-Y976 HydrophobicContact CB-CE2 4.23Å; L945-Y976 HydrophobicContact CD1-CD2 4.37Å; L945-Y976 HydrophobicContact CD1-CE2 3.95Å; L945-Y976 WeakPolarHBondContact O-CE1 3.06Å; K972-Y976 PolarHBondContact O-N 2.98Å; M973-Y976 HydrophobicContact CE-CD1 3.55Å; M973-Y976 HydrophobicContact CE-CE1 3.83Å; M973-Y976 HydrophobicContact CE-CG 4.25Å; M973-Y976 WeakPolarHBondContact O-CA 3.49Å; M973-Y976 WeakPolarHBondContact O-CB 3.17Å; M973-Y976 PolarHBondContact O-N 2.83Å; M973-Y976 VanDerWaalsContact O-N 3.1Å; M973-Y976 HydrophobicContact SD-CD1 4Å; M973-Y976 HydrophobicContact SD-CG 4.11Å; R974-Y976 PolarHBondContact O-N 3.29Å; Y976-T978 VanDerWaalsContact C-N 3.3Å; Y976-T978 PolarHBondContact O-N 3.41Å; Y976-Y979 PolarHBondContact O-N 3Å; Y976-R1020 PolarHBondContact OH-NE 3.48Å; Y976-V1023 HydrophobicContact CD2-CB 4.25Å; Y976-V1023 HydrophobicContact CD2-CG1 3.91Å; Y976-V1023 HydrophobicContact CE2-CB 4.29Å; Y976-V1023 HydrophobicContact CE2-CG1 4.33Å; Y976-M1024 HydrophobicContact CD2-CE 4.12Å; Y976-M1024 HydrophobicContact CD2-CG 3.57Å; Y976-M1024 HydrophobicContact CE1-CE 4.07Å; Y976-M1024 HydrophobicContact CE2-CE 3.58Å; Y976-M1024 HydrophobicContact CE2-CG 3.67Å; Y976-M1024 HydrophobicContact CE2-SD 4.48Å; Y976-M1024 HydrophobicContact CG-CG 4.38Å |
| 977 | S | 93.1 | Very high | 90.5 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.8 | -21 | -179.5 | 59.6 | 0 | 0 | 0 | 0 | 115.4 | L945 M973 R974 V975 Y979 | L945-S977 WeakPolarHBondContact O-CA 3.16Å; M973-S977 PolarHBondContact O-N 3.39Å; R974-S977 PolarHBondContact O-N 2.97Å; R974-S977 VanDerWaalsContact O-N 3.15Å; R974-S977 PolarHBondContact O-OG 3.09Å; V975-S977 VanDerWaalsContact C-N 3.35Å; V975-S977 PolarHBondContact O-N 2.89Å; S977-Y979 PolarHBondContact O-N 2.82Å |
| 978 | T | 91.1 | Very high | 89.8 | Confident | 109 Ų | 109 | 52.6 Ų | 52.6 | 67% | 0.669 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -11.4 | 174.1 | 62.6 | 0 | 0 | 0 | 0 | 114.3 | R974 V975 Y976 | R974-T978 PolarHBondContact O-N 2.88Å; V975-T978 PolarHBondContact O-N 2.66Å; V975-T978 PolarHBondContact O-OG1 2.63Å; Y976-T978 VanDerWaalsContact C-N 3.3Å; Y976-T978 PolarHBondContact O-N 3.41Å |
| 979 | Y | 91.9 | Very high | 89.4 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | trans | -91.5 | 131.3 | 177.3 | -68.6 | -70.2 | 0 | 0 | 0 | 111.9 | L945 V975 Y976 S977 P996 V1023 H1027 | L945-Y979 VanDerWaalsContact CD1-O 3.25Å; L945-Y979 WeakPolarHBondContact CD1-O 3.44Å; L945-Y979 VanDerWaalsContact CG-O 3.26Å; L945-Y979 WeakPolarHBondContact CG-O 3.34Å; V975-Y979 HydrophobicContact CG1-CE2 4.1Å; V975-Y979 VanDerWaalsContact O-CD2 3.26Å; V975-Y979 WeakPolarHBondContact O-CD2 3.37Å; V975-Y979 WeakPolarHBondContact O-CE2 3.11Å; Y976-Y979 PolarHBondContact O-N 3Å; S977-Y979 PolarHBondContact O-N 2.82Å; Y979-P996 HydrophobicContact CD1-CG 4.2Å; Y979-V1023 HydrophobicContact CD2-CG1 4.23Å; Y979-V1023 HydrophobicContact CG-CG1 4.37Å; Y979-H1027 HydrophobicContact CD2-CB 4.01Å; Y979-H1027 HydrophobicContact CE1-CB 4.39Å; Y979-H1027 HydrophobicContact CE2-CB 3.65Å | ||
| 980 | K | 89.8 | Confident | 89 | Confident | 126 Ų | 126 | 60 Ų | 60 | 55% | 0.548 | 29% | 0.288 | S | S | . | . | trans | -87.3 | 157.9 | 164.2 | -62.6 | -175.5 | 179.6 | -175.6 | 0 | 111 | D942 L943 P996 | D942-K980 HydrophobicContact CB-CD 4.2Å; D942-K980 WeakPolarHBondContact OD2-CD 3.11Å; L943-K980 CarbonylContact O-C 3.58Å; L943-K980 WeakPolarHBondContact O-CA 3.48Å; K980-P996 WeakPolarHBondContact O-CG 3.22Å | ||
| 981 | M | 90.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 118.3 | 176.4 | 178.6 | -179.4 | 66.6 | 0 | 0 | 110.7 | L943 L945 F993 R994 L1016 S1019 R1020 V1023 | L943-M981 WeakPolarHBondContact CA-O 3.49Å; L943-M981 WeakPolarHBondContact CB-O 3.44Å; L943-M981 HydrophobicContact CD2-CE 3.89Å; L943-M981 PolarHBondContact N-O 2.94Å; L943-M981 PolarHBondContact O-N 3.24Å; L945-M981 HydrophobicContact CD1-CB 4.4Å; L945-M981 HydrophobicContact CD2-CB 4.34Å; L945-M981 HydrophobicContact CD2-CE 4.16Å; M981-F993 HydrophobicContact CE-CB 4.33Å; M981-F993 HydrophobicContact CE-CD1 3.96Å; M981-F993 HydrophobicContact CE-CG 4.27Å; M981-F993 HydrophobicContact CG-CB 4.48Å; M981-F993 HydrophobicContact SD-CB 4.16Å; M981-R994 WeakPolarHBondContact CG-O 3.38Å; M981-L1016 HydrophobicContact CE-CD1 3.53Å; M981-S1019 VanDerWaalsContact SD-CB 3.58Å; M981-R1020 HydrophobicContact CE-CG 4.27Å; M981-V1023 HydrophobicContact SD-CG2 4.5Å |
| 982 | S | 90.5 | Very high | 88.5 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 132.7 | -171 | -36.1 | 0 | 0 | 0 | 0 | 113.1 | D942 F993 R994 | D942-S982 WeakPolarHBondContact OD1-CA 3.38Å; D942-S982 VanDerWaalsContact OD1-CB 3.26Å; D942-S982 WeakPolarHBondContact OD1-CB 3.43Å; D942-S982 PolarHBondContact OD1-OG 2.92Å; S982-F993 CarbonylContact O-C 3.5Å; S982-F993 WeakPolarHBondContact O-CA 3.28Å; S982-R994 PolarHBondContact N-O 2.82Å; S982-R994 VanDerWaalsContact N-O 3.1Å; S982-R994 PolarHBondContact O-N 3.12Å |
| 983 | R | 89.9 | Confident | 88.4 | Confident | 39 Ų | 39 | 55 Ų | 55 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 107.1 | 178.5 | -175.1 | -170.3 | 83.7 | -164.1 | 4.9 | 109.4 | V941 L943 C985 T990 F993 F1050 | V941-R983 PolarHBondContact N-O 2.99Å; V941-R983 WeakPolarHBondContact O-CA 3.47Å; V941-R983 VanDerWaalsContact O-CB 3.26Å; V941-R983 WeakPolarHBondContact O-CB 3.45Å; V941-R983 PolarHBondContact O-N 3.08Å; L943-R983 HydrophobicContact CD1-CB 4.47Å; R983-C985 PolarHBondContact NE-SG 2.91Å; R983-C985 PolarHBondContact O-SG 3.21Å; R983-T990 HydrophobicContact CG-CG2 3.64Å; R983-F993 HydrophobicContact CB-CD1 4.22Å; R983-F993 HydrophobicContact CB-CE1 4.2Å; R983-F993 HydrophobicContact CG-CD1 4.24Å; R983-F993 HydrophobicContact CG-CE1 3.81Å; R983-F1050 VanDerWaalsContact NH1-CD2 3.32Å |
| 984 | I | 88.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.2 | 179.7 | -56.9 | 157.9 | 0 | 0 | 0 | 108.4 | L928 I934 A937 V940 I991 A992 R994 L1000 | L928-I984 HydrophobicContact CD1-CG2 4.01Å; L928-I984 HydrophobicContact CD2-CD1 3.55Å; L928-I984 HydrophobicContact CD2-CG1 4.04Å; I934-I984 HydrophobicContact CG2-CG2 3.76Å; A937-I984 HydrophobicContact CB-CG2 3.69Å; V940-I984 HydrophobicContact CG1-CG1 4.49Å; V940-I984 HydrophobicContact CG2-CG1 4.26Å; I984-I991 PolarHBondContact O-N 3.48Å; I984-A992 HydrophobicContact CB-CB 4.4Å; I984-A992 HydrophobicContact CD1-CB 4.11Å; I984-A992 PolarHBondContact N-O 3.13Å; I984-A992 PolarHBondContact O-N 2.86Å; I984-R994 HydrophobicContact CD1-CB 4.34Å; I984-L1000 HydrophobicContact CD1-CD2 3.46Å; I984-L1000 VanDerWaalsContact CD1-CD2 3.46Å |
| 985 | C | 85.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 164.4 | -170.4 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | A937 D938 K939 R983 R989 | A937-C985 CarbonylContact C-O 3.59Å; A937-C985 WeakPolarHBondContact CA-O 3.4Å; A937-C985 WeakPolarHBondContact CB-O 3.07Å; D938-C985 PolarHBondContact N-O 2.87Å; K939-C985 HydrophobicContact CB-CB 4.33Å; K939-C985 PolarHBondContact O-N 3.44Å; R983-C985 PolarHBondContact NE-SG 2.91Å; R983-C985 PolarHBondContact O-SG 3.21Å; C985-R989 CarbonylContact C-O 3.54Å; C985-R989 VanDerWaalsContact CA-O 3.29Å; C985-R989 WeakPolarHBondContact CA-O 3.38Å |
| 986 | R | 82.2 | Confident | 87.8 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 48% | 0.475 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 118.8 | 162 | 171 | 174.7 | -169.8 | 162.2 | -1.5 | 108.6 | E935 G936 D938 D988 R989 I991 | E935-R986 PolarHBondContact O-NH1 3.33Å; G936-R986 WeakPolarHBondContact O-CB 3.43Å; G936-R986 WeakPolarHBondContact O-CD 3.28Å; G936-R986 WeakPolarHBondContact O-CG 3.1Å; G936-R986 PolarHBondContact O-NE 2.95Å; D938-R986 WeakPolarHBondContact OD1-CA 3.44Å; D938-R986 PolarHBondContact OD1-N 3.24Å; R986-D988 PolarHBondContact O-N 3.18Å; R986-R989 PolarHBondContact N-O 3.27Å; R986-R989 WeakPolarHBondContact O-CB 3.44Å; R986-R989 PolarHBondContact O-N 2.93Å; R986-I991 HydrophobicContact CB-CD1 3.33Å; R986-I991 HydrophobicContact CB-CG1 3.96Å; R986-I991 HydrophobicContact CG-CD1 4.49Å |
| 987 | N | 78.8 | Confident | 87.5 | Confident | 118 Ų | 118 | 55.6 Ų | 55.6 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 46.8 | -175.4 | -54.7 | 50.6 | 0 | 0 | 0 | 110.1 | D938 R989 | D938-N987 VanDerWaalsContact CG-N 3.28Å; D938-N987 PolarHBondContact OD1-N 2.94Å; D938-N987 WeakPolarHBondContact OD2-CA 3.43Å; D938-N987 PolarHBondContact OD2-N 3.47Å; N987-R989 PolarHBondContact O-N 2.7Å |
| 988 | D | 76.8 | Confident | 87 | Confident | 73 Ų | 73 | 55 Ų | 55 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 9.8 | -175.8 | -58.8 | -57.5 | 0 | 0 | 0 | 116.6 | K939 R986 R1046 | K939-D988 WeakPolarHBondContact CD-OD1 3.39Å; K939-D988 IonicContact NZ-OD1 3.4Å; K939-D988 PolarHBondContact NZ-OD1 3.18Å; K939-D988 IonicContact NZ-OD2 2.89Å; K939-D988 PolarHBondContact NZ-OD2 3.33Å; R986-D988 PolarHBondContact O-N 3.18Å; D988-R1046 PolarHBondContact O-NH2 3.12Å |
| 989 | R | 81.3 | Confident | 86.8 | Confident | 187 Ų | 187 | 56 Ų | 56 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.4 | 165.8 | -56.7 | -178.8 | 178.9 | -164.3 | -2.2 | 108.6 | C985 R986 N987 I991 | C985-R989 CarbonylContact C-O 3.54Å; C985-R989 VanDerWaalsContact CA-O 3.29Å; C985-R989 WeakPolarHBondContact CA-O 3.38Å; R986-R989 PolarHBondContact N-O 3.27Å; R986-R989 WeakPolarHBondContact O-CB 3.44Å; R986-R989 PolarHBondContact O-N 2.93Å; N987-R989 PolarHBondContact O-N 2.7Å; R989-I991 PolarHBondContact O-N 2.76Å |
| 990 | T | 85.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 128.1 | 176.5 | -53 | 0 | 0 | 0 | 0 | 110.5 | R983 F993 T1003 | R983-T990 HydrophobicContact CG-CG2 3.64Å; T990-F993 HydrophobicContact CG2-CD1 4.46Å; T990-F993 HydrophobicContact CG2-CE1 3.95Å; T990-F993 HydrophobicContact CG2-CE2 4.06Å; T990-F993 HydrophobicContact CG2-CZ 3.73Å; T990-T1003 HydrophobicContact CG2-CG2 4.38Å; T990-T1003 PolarHBondContact O-OG1 3.28Å |
| 991 | I | 86.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -41.6 | 174.7 | -61.6 | 167.4 | 0 | 0 | 0 | 111.1 | G933 A937 I984 R986 R989 T1003 T1004 | G933-I991 WeakPolarHBondContact O-CG2 3.4Å; A937-I991 HydrophobicContact CB-CD1 3.93Å; I984-I991 PolarHBondContact O-N 3.48Å; R986-I991 HydrophobicContact CB-CD1 3.33Å; R986-I991 HydrophobicContact CB-CG1 3.96Å; R986-I991 HydrophobicContact CG-CD1 4.49Å; R989-I991 PolarHBondContact O-N 2.76Å; I991-T1003 PolarHBondContact O-N 3.1Å; I991-T1003 PolarHBondContact O-OG1 3.35Å; I991-T1004 HydrophobicContact CG2-CG2 4.12Å |
| 992 | A | 88.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 158.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | I934 I984 L1000 F1001 I1002 | I934-A992 HydrophobicContact CD1-CB 4.47Å; I984-A992 HydrophobicContact CB-CB 4.4Å; I984-A992 HydrophobicContact CD1-CB 4.11Å; I984-A992 PolarHBondContact N-O 3.13Å; I984-A992 PolarHBondContact O-N 2.86Å; A992-L1000 HydrophobicContact CB-CD2 4.47Å; A992-F1001 CarbonylContact C-O 3.6Å; A992-F1001 WeakPolarHBondContact CA-O 3.48Å; A992-I1002 HydrophobicContact CB-CG1 4.44Å |
| 993 | F | 90.8 | Very high | 86.2 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 142 | 165.6 | -58.9 | -80.3 | 0 | 0 | 0 | 110.6 | L943 M981 S982 R983 T990 L1000 F1001 T1003 L1016 F1050 | L943-F993 HydrophobicContact CD2-CD1 4.47Å; L943-F993 HydrophobicContact CD2-CE1 4.1Å; M981-F993 HydrophobicContact CE-CB 4.33Å; M981-F993 HydrophobicContact CE-CD1 3.96Å; M981-F993 HydrophobicContact CE-CG 4.27Å; M981-F993 HydrophobicContact CG-CB 4.48Å; M981-F993 HydrophobicContact SD-CB 4.16Å; S982-F993 CarbonylContact O-C 3.5Å; S982-F993 WeakPolarHBondContact O-CA 3.28Å; R983-F993 HydrophobicContact CB-CD1 4.22Å; R983-F993 HydrophobicContact CB-CE1 4.2Å; R983-F993 HydrophobicContact CG-CD1 4.24Å; R983-F993 HydrophobicContact CG-CE1 3.81Å; T990-F993 HydrophobicContact CG2-CD1 4.46Å; T990-F993 HydrophobicContact CG2-CE1 3.95Å; T990-F993 HydrophobicContact CG2-CE2 4.06Å; T990-F993 HydrophobicContact CG2-CZ 3.73Å; F993-L1000 CarbonylContact O-C 3.43Å; F993-L1000 WeakPolarHBondContact O-CA 3.38Å; F993-F1001 HydrophobicContact CB-CB 4.32Å; F993-F1001 PolarHBondContact N-O 2.68Å; F993-F1001 PolarHBondContact O-N 2.8Å; F993-T1003 HydrophobicContact CD2-CG2 3.79Å; F993-T1003 HydrophobicContact CE2-CG2 3.61Å; F993-L1016 HydrophobicContact CD1-CD1 4.17Å; F993-L1016 HydrophobicContact CD2-CD1 4.47Å; F993-L1016 HydrophobicContact CE1-CD1 3.76Å; F993-L1016 HydrophobicContact CE2-CB 3.89Å; F993-L1016 HydrophobicContact CE2-CD1 4.1Å; F993-L1016 HydrophobicContact CZ-CB 3.98Å; F993-L1016 HydrophobicContact CZ-CD1 3.73Å; F993-L1016 HydrophobicContact CZ-CD2 4.22Å; F993-L1016 HydrophobicContact CZ-CG 4.19Å; F993-F1050 HydrophobicContact CZ-CE1 4.44Å |
| 994 | R | 90.2 | Very high | 85.5 | Confident | 78 Ų | 78 | 53.1 Ų | 53.1 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.4 | 179.2 | -175.1 | 177.6 | 178.4 | -96.6 | 9.9 | 109.8 | M981 S982 I984 L1000 | M981-R994 WeakPolarHBondContact CG-O 3.38Å; S982-R994 PolarHBondContact N-O 2.82Å; S982-R994 VanDerWaalsContact N-O 3.1Å; S982-R994 PolarHBondContact O-N 3.12Å; I984-R994 HydrophobicContact CD1-CB 4.34Å; R994-L1000 HydrophobicContact CB-CD2 3.87Å; R994-L1000 HydrophobicContact CG-CD2 4.15Å |
| 995 | C | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -73.3 | 150.5 | 176 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | C997 G998 R999 F1001 H1022 | C995-C997 PolarHBondContact O-N 3.19Å; C995-G998 WeakPolarHBondContact O-CA 3.39Å; C995-G998 PolarHBondContact O-N 2.81Å; C995-R999 HydrophobicContact CB-CB 4.29Å; C995-R999 WeakPolarHBondContact CB-O 3.4Å; C995-R999 PolarHBondContact N-O 2.73Å; C995-F1001 HydrophobicContact CB-CE2 4.05Å; C995-H1022 VanDerWaalsContact SG-CD2 3.59Å | ||
| 996 | P | 86 | Confident | 83.4 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -29.2 | 178.2 | -32.9 | 37.4 | 0 | 0 | 0 | 115.9 | Y979 K980 G998 | Y979-P996 HydrophobicContact CD1-CG 4.2Å; K980-P996 WeakPolarHBondContact O-CG 3.22Å; P996-G998 PolarHBondContact O-N 3.32Å; P996-G998 VanDerWaalsContact O-N 3.12Å |
| 997 | C | 87.2 | Confident | 82 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 9.3 | 171.4 | 61.8 | 0 | 0 | 0 | 0 | 115.2 | C995 R999 H1022 H1027 | C995-C997 PolarHBondContact O-N 3.19Å; C997-R999 VanDerWaalsContact C-N 3.28Å; C997-R999 PolarHBondContact O-N 2.96Å; C997-H1022 PolarHBondContact SG-NE2 3.36Å; C997-H1022 VanDerWaalsContact SG-NE2 3.42Å; C997-H1027 WeakPolarHBondContact CB-NE2 3.32Å; C997-H1027 PolarHBondContact N-CE1 3.43Å; C997-H1027 PolarHBondContact N-NE2 3.11Å |
| 998 | G | 83.2 | Confident | 80.8 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 78 | 1.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C995 P996 L1000 | C995-G998 WeakPolarHBondContact O-CA 3.39Å; C995-G998 PolarHBondContact O-N 2.81Å; P996-G998 PolarHBondContact O-N 3.32Å; P996-G998 VanDerWaalsContact O-N 3.12Å; G998-L1000 PolarHBondContact O-N 2.92Å |
| 999 | R | 87.5 | Confident | 80.1 | Confident | 132 Ų | 132 | 62.2 Ų | 62.2 | 50% | 0.498 | 32% | 0.318 | S | S | . | . | trans | -75.7 | 124.7 | -178.9 | -171.6 | -178.8 | -177.2 | 172.6 | -0.3 | 111.9 | C995 C997 F1001 H1022 | C995-R999 HydrophobicContact CB-CB 4.29Å; C995-R999 WeakPolarHBondContact CB-O 3.4Å; C995-R999 PolarHBondContact N-O 2.73Å; C997-R999 VanDerWaalsContact C-N 3.28Å; C997-R999 PolarHBondContact O-N 2.96Å; R999-F1001 HydrophobicContact CB-CE2 4.11Å; R999-F1001 HydrophobicContact CG-CD2 4.46Å; R999-F1001 HydrophobicContact CG-CE2 3.79Å; R999-F1001 HydrophobicContact CG-CZ 4.17Å; R999-F1001 WeakPolarHBondContact O-CD2 3.42Å; R999-H1022 VanDerWaalsContact CD-CD2 3.48Å; R999-H1022 WeakPolarHBondContact CD-CD2 3.33Å; R999-H1022 WeakPolarHBondContact CD-NE2 3.46Å; R999-H1022 PolarHBondContact NH1-CE1 3.01Å | ||
| 1000 | L | 88.6 | Confident | 79.2 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 144.1 | 176.8 | -73.3 | 160.3 | 0 | 0 | 0 | 112.9 | I931 I934 I984 A992 F993 R994 G998 | I931-L1000 HydrophobicContact CD1-CD1 3.43Å; I931-L1000 VanDerWaalsContact CD1-CD1 3.43Å; I934-L1000 HydrophobicContact CD1-CD1 4.1Å; I934-L1000 HydrophobicContact CD1-CD2 4.36Å; I984-L1000 HydrophobicContact CD1-CD2 3.46Å; I984-L1000 VanDerWaalsContact CD1-CD2 3.46Å; A992-L1000 HydrophobicContact CB-CD2 4.47Å; F993-L1000 CarbonylContact O-C 3.43Å; F993-L1000 WeakPolarHBondContact O-CA 3.38Å; R994-L1000 HydrophobicContact CB-CD2 3.87Å; R994-L1000 HydrophobicContact CG-CD2 4.15Å; G998-L1000 PolarHBondContact O-N 2.92Å |
| 1001 | F | 89 | Confident | 77.8 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 92.9 | -179.9 | -69.2 | -98.7 | 0 | 0 | 0 | 108.9 | A992 F993 C995 R999 A1014 D1018 H1022 | A992-F1001 CarbonylContact C-O 3.6Å; A992-F1001 WeakPolarHBondContact CA-O 3.48Å; F993-F1001 HydrophobicContact CB-CB 4.32Å; F993-F1001 PolarHBondContact N-O 2.68Å; F993-F1001 PolarHBondContact O-N 2.8Å; C995-F1001 HydrophobicContact CB-CE2 4.05Å; R999-F1001 HydrophobicContact CB-CE2 4.11Å; R999-F1001 HydrophobicContact CG-CD2 4.46Å; R999-F1001 HydrophobicContact CG-CE2 3.79Å; R999-F1001 HydrophobicContact CG-CZ 4.17Å; R999-F1001 WeakPolarHBondContact O-CD2 3.42Å; F1001-A1014 HydrophobicContact CB-CB 3.83Å; F1001-A1014 HydrophobicContact CD1-CB 4.08Å; F1001-A1014 HydrophobicContact CG-CB 4.48Å; F1001-D1018 HydrophobicContact CD1-CB 4.34Å; F1001-D1018 HydrophobicContact CE1-CB 4.46Å; F1001-H1022 HydrophobicContact CE1-CB 4.34Å; F1001-H1022 HydrophobicContact CE2-CB 4.32Å; F1001-H1022 AromaticContact CE2-CD2 3.73Å; F1001-H1022 HydrophobicContact CZ-CB 3.57Å; F1001-H1022 AromaticContact CZ-CD2 3.51Å; F1001-H1022 AromaticContact CZ-CG 3.75Å |
| 1002 | I | 86.7 | Confident | 77.2 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 124.1 | -176.2 | -58.1 | 174.2 | 0 | 0 | 0 | 110 | I931 A992 T1004 A1014 | I931-I1002 HydrophobicContact CG2-CD1 4.12Å; A992-I1002 HydrophobicContact CB-CG1 4.44Å; I1002-T1004 WeakPolarHBondContact CG2-OG1 3.36Å; I1002-A1014 WeakPolarHBondContact O-CB 3.4Å; I1002-A1014 PolarHBondContact O-N 3.06Å |
| 1003 | T | 84.3 | Confident | 76.8 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | trans | -92.2 | -13.8 | -178.3 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | T990 I991 F993 A1013 | T990-T1003 HydrophobicContact CG2-CG2 4.38Å; T990-T1003 PolarHBondContact O-OG1 3.28Å; I991-T1003 PolarHBondContact O-N 3.1Å; I991-T1003 PolarHBondContact O-OG1 3.35Å; F993-T1003 HydrophobicContact CD2-CG2 3.79Å; F993-T1003 HydrophobicContact CE2-CG2 3.61Å; T1003-A1013 WeakPolarHBondContact O-CB 3.48Å | ||
| 1004 | T | 75.8 | Confident | 76.4 | Confident | 56 Ų | 56 | 73.5 Ų | 73.5 | 34% | 0.344 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -81.3 | 141.1 | 175 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | I991 I1002 | I991-T1004 HydrophobicContact CG2-CG2 4.12Å; I1002-T1004 WeakPolarHBondContact CG2-OG1 3.36Å |
| 1005 | R | 68.7 | Low | 76.2 | Confident | 185 Ų | 185 | 72 Ų | 72 | 70% | 0.698 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 119.9 | 167 | -79 | -175 | 177.5 | -126.7 | 14.2 | 108.8 | A1013 | R1005-A1013 HydrophobicContact CG-CB 4.22Š|
| 1006 | Q | 61.9 | Low | 76 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 133.2 | 173.5 | -62.8 | 175.1 | 1.8 | 0 | 0 | 110.3 | F748 P932 D1008 S1009 | F748-Q1006 VanDerWaalsContact CE1-NE2 3.27Å; F748-Q1006 HydrophobicContact CZ-CG 4.46Å; P932-Q1006 PolarHBondContact O-NE2 3.07Å; Q1006-D1008 VanDerWaalsContact C-N 3.35Å; Q1006-D1008 PolarHBondContact O-N 2.99Å; Q1006-S1009 PolarHBondContact O-N 2.96Å; Q1006-S1009 PolarHBondContact O-OG 3.18Å; Q1006-S1009 VanDerWaalsContact O-OG 3.12Å |
| 1007 | P | 53 | Low | 76.2 | Confident | 136 Ų | 136 | 72 Ų | 72 | 88% | 0.883 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -35.2 | -166.9 | 22 | -33.4 | 0 | 0 | 0 | 114.2 | ||
| 1008 | D | 54.2 | Low | 76.4 | Confident | 118 Ų | 118 | 72 Ų | 72 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -16.9 | 176.5 | -75.5 | -9.4 | 0 | 0 | 0 | 114.2 | R750 Q1006 | R750-D1008 IonicContact CZ-OD2 3.85Å; R750-D1008 IonicContact NH1-OD2 3.95Å; R750-D1008 PolarHBondContact NH1-OD2 3.05Å; R750-D1008 IonicContact NH2-OD2 2.74Å; R750-D1008 PolarHBondContact NH2-OD2 3.23Å; Q1006-D1008 VanDerWaalsContact C-N 3.35Å; Q1006-D1008 PolarHBondContact O-N 2.99Å |
| 1009 | S | 60.7 | Low | 76.7 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 24% | 0.238 | 35% | 0.352 | C | S | . | . | trans | -93.6 | 133.6 | -161.6 | 88.2 | 0 | 0 | 0 | 0 | 111.9 | Q1006 I1011 | Q1006-S1009 PolarHBondContact O-N 2.96Å; Q1006-S1009 PolarHBondContact O-OG 3.18Å; Q1006-S1009 VanDerWaalsContact O-OG 3.12Å; S1009-I1011 PolarHBondContact O-N 3.28Å | ||
| 1010 | K | 63.4 | Low | 77 | Confident | 176 Ų | 176 | 64.2 Ų | 64.2 | 77% | 0.765 | 33% | 0.33 | S | S | * | . | trans | -79.5 | 13.3 | 167.6 | -57.1 | -172.3 | -173 | -177.1 | 0 | 112.7 | H1264 | K1010-H1264 PolarHBondContact NZ-CE1 3Å; K1010-H1264 PolarHBondContact NZ-NE2 2.65Å | ||
| 1011 | I | 55.8 | Low | 77.3 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 32% | 0.323 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 130.2 | -174.3 | -48.7 | 175.2 | 0 | 0 | 0 | 108 | P761 S1009 A1013 | P761-I1011 HydrophobicContact CB-CD1 4.24Å; P761-I1011 HydrophobicContact CG-CD1 3.72Å; P761-I1011 HydrophobicContact CG-CG1 4.26Å; S1009-I1011 PolarHBondContact O-N 3.28Å; I1011-A1013 PolarHBondContact O-N 2.84Å |
| 1012 | R | 73.8 | Confident | 77.4 | Confident | 187 Ų | 187 | 66.9 Ų | 66.9 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 128 | 166.4 | -174.6 | -160.2 | 166.3 | 143.8 | 2.8 | 108.1 | A1014 | R1012-A1014 PolarHBondContact O-N 2.87Š|
| 1013 | A | 79 | Confident | 77.8 | Confident | 22 Ų | 22 | 65 Ų | 65 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -46.8 | 133.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1003 R1005 I1011 | T1003-A1013 WeakPolarHBondContact O-CB 3.48Å; R1005-A1013 HydrophobicContact CG-CB 4.22Å; I1011-A1013 PolarHBondContact O-N 2.84Å |
| 1014 | A | 83.3 | Confident | 78.2 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 142.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1001 I1002 R1012 | F1001-A1014 HydrophobicContact CB-CB 3.83Å; F1001-A1014 HydrophobicContact CD1-CB 4.08Å; F1001-A1014 HydrophobicContact CG-CB 4.48Å; I1002-A1014 WeakPolarHBondContact O-CB 3.4Å; I1002-A1014 PolarHBondContact O-N 3.06Å; R1012-A1014 PolarHBondContact O-N 2.87Å |
| 1015 | T | 86 | Confident | 79 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 161.4 | 175 | 69.2 | 0 | 0 | 0 | 0 | 111.2 | A1017 D1018 S1019 | T1015-A1017 PolarHBondContact O-N 3.2Å; T1015-A1017 PolarHBondContact OG1-N 3.2Å; T1015-D1018 WeakPolarHBondContact CB-OD2 3.47Å; T1015-D1018 PolarHBondContact N-OD2 2.93Å; T1015-D1018 WeakPolarHBondContact O-CB 3.46Å; T1015-D1018 PolarHBondContact O-N 3.15Å; T1015-D1018 VanDerWaalsContact OG1-CG 3.3Å; T1015-D1018 PolarHBondContact OG1-N 2.68Å; T1015-D1018 PolarHBondContact OG1-OD2 3.17Å; T1015-S1019 PolarHBondContact O-N 2.82Å |
| 1016 | L | 88.3 | Confident | 80.1 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.2 | -25 | 170.7 | 179.2 | 51.2 | 0 | 0 | 0 | 112.7 | L943 M981 F993 S1019 R1020 I1044 F1050 | L943-L1016 HydrophobicContact CD2-CD1 3.93Å; M981-L1016 HydrophobicContact CE-CD1 3.53Å; F993-L1016 HydrophobicContact CD1-CD1 4.17Å; F993-L1016 HydrophobicContact CD2-CD1 4.47Å; F993-L1016 HydrophobicContact CE1-CD1 3.76Å; F993-L1016 HydrophobicContact CE2-CB 3.89Å; F993-L1016 HydrophobicContact CE2-CD1 4.1Å; F993-L1016 HydrophobicContact CZ-CB 3.98Å; F993-L1016 HydrophobicContact CZ-CD1 3.73Å; F993-L1016 HydrophobicContact CZ-CD2 4.22Å; F993-L1016 HydrophobicContact CZ-CG 4.19Å; L1016-S1019 PolarHBondContact O-OG 3.07Å; L1016-S1019 VanDerWaalsContact O-OG 3.12Å; L1016-R1020 HydrophobicContact CD1-CG 4.3Å; L1016-R1020 WeakPolarHBondContact O-CB 2.96Å; L1016-R1020 WeakPolarHBondContact O-CG 3.44Å; L1016-R1020 PolarHBondContact O-N 2.84Å; L1016-I1044 HydrophobicContact CD1-CD1 4.35Å; L1016-I1044 HydrophobicContact CD2-CD1 4.21Å; L1016-I1044 HydrophobicContact CD2-CG1 3.94Å; L1016-I1044 HydrophobicContact CG-CG1 4.38Å; L1016-F1050 HydrophobicContact CD2-CD1 3.84Å; L1016-F1050 HydrophobicContact CD2-CE1 4.03Å |
| 1017 | A | 90.4 | Very high | 81.5 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.6 | -33.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1015 R1021 | T1015-A1017 PolarHBondContact O-N 3.2Å; T1015-A1017 PolarHBondContact OG1-N 3.2Å; A1017-R1021 VanDerWaalsContact O-CB 3.28Å; A1017-R1021 WeakPolarHBondContact O-CB 3.26Å; A1017-R1021 WeakPolarHBondContact O-CD 3.42Å; A1017-R1021 WeakPolarHBondContact O-CG 3.39Å; A1017-R1021 PolarHBondContact O-N 2.99Å |
| 1018 | D | 90.6 | Very high | 83.4 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.3 | -38.7 | 179 | -61.7 | -61.7 | 0 | 0 | 0 | 111.9 | F1001 T1015 H1022 | F1001-D1018 HydrophobicContact CD1-CB 4.34Å; F1001-D1018 HydrophobicContact CE1-CB 4.46Å; T1015-D1018 WeakPolarHBondContact CB-OD2 3.47Å; T1015-D1018 PolarHBondContact N-OD2 2.93Å; T1015-D1018 WeakPolarHBondContact O-CB 3.46Å; T1015-D1018 PolarHBondContact O-N 3.15Å; T1015-D1018 VanDerWaalsContact OG1-CG 3.3Å; T1015-D1018 PolarHBondContact OG1-N 2.68Å; T1015-D1018 PolarHBondContact OG1-OD2 3.17Å; D1018-H1022 PolarHBondContact O-N 3.34Å |
| 1019 | S | 90.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -46.4 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | M981 T1015 L1016 R1021 H1022 V1023 | M981-S1019 VanDerWaalsContact SD-CB 3.58Å; T1015-S1019 PolarHBondContact O-N 2.82Å; L1016-S1019 PolarHBondContact O-OG 3.07Å; L1016-S1019 VanDerWaalsContact O-OG 3.12Å; S1019-R1021 PolarHBondContact O-N 2.91Å; S1019-H1022 VanDerWaalsContact O-CB 3.31Å; S1019-H1022 WeakPolarHBondContact O-CB 3.3Å; S1019-H1022 PolarHBondContact O-N 3.27Å; S1019-V1023 PolarHBondContact O-N 3.44Å |
| 1020 | R | 93.4 | Very high | 86.6 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 174.8 | -79.1 | 172.4 | 45.6 | -126.2 | -14.7 | 113.1 | L945 Y976 M981 L1016 H1022 V1023 M1024 C1039 S1042 | L945-R1020 HydrophobicContact CD2-CG 3.97Å; Y976-R1020 PolarHBondContact OH-NE 3.48Å; M981-R1020 HydrophobicContact CE-CG 4.27Å; L1016-R1020 HydrophobicContact CD1-CG 4.3Å; L1016-R1020 WeakPolarHBondContact O-CB 2.96Å; L1016-R1020 WeakPolarHBondContact O-CG 3.44Å; L1016-R1020 PolarHBondContact O-N 2.84Å; R1020-H1022 PolarHBondContact O-N 3.5Å; R1020-V1023 PolarHBondContact O-N 3.32Å; R1020-V1023 VanDerWaalsContact O-N 3.11Å; R1020-M1024 WeakPolarHBondContact O-CG 3.13Å; R1020-M1024 PolarHBondContact O-N 3.03Å; R1020-C1039 PolarHBondContact NH2-O 3.2Å; R1020-S1042 PolarHBondContact NE-O 3.12Å; R1020-S1042 PolarHBondContact NH1-O 3.22Å; R1020-S1042 VanDerWaalsContact NH2-C 3.29Å; R1020-S1042 PolarHBondContact NH2-O 3.43Å; R1020-S1042 PolarHBondContact NH2-OG 3.29Å |
| 1021 | R | 93.5 | Very high | 87.8 | Confident | 83 Ų | 83 | 48 Ų | 48 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.7 | -29.4 | 174 | -75.7 | 171.5 | -176.1 | -98.7 | -8 | 112.9 | A1017 S1019 G1025 I1035 T1036 C1039 | A1017-R1021 VanDerWaalsContact O-CB 3.28Å; A1017-R1021 WeakPolarHBondContact O-CB 3.26Å; A1017-R1021 WeakPolarHBondContact O-CD 3.42Å; A1017-R1021 WeakPolarHBondContact O-CG 3.39Å; A1017-R1021 PolarHBondContact O-N 2.99Å; S1019-R1021 PolarHBondContact O-N 2.91Å; R1021-G1025 PolarHBondContact O-N 2.91Å; R1021-I1035 HydrophobicContact CB-CG2 4.06Å; R1021-I1035 HydrophobicContact CG-CG2 3.73Å; R1021-T1036 PolarHBondContact NH1-OG1 2.95Å; R1021-C1039 HydrophobicContact CG-CB 4.28Å |
| 1022 | H | 92.7 | Very high | 89.1 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72 | -41.7 | 174.4 | -172.5 | 41.2 | 0 | 0 | 0 | 112.2 | C995 C997 R999 F1001 D1018 S1019 R1020 G1025 V1026 | C995-H1022 VanDerWaalsContact SG-CD2 3.59Å; C997-H1022 PolarHBondContact SG-NE2 3.36Å; C997-H1022 VanDerWaalsContact SG-NE2 3.42Å; R999-H1022 VanDerWaalsContact CD-CD2 3.48Å; R999-H1022 WeakPolarHBondContact CD-CD2 3.33Å; R999-H1022 WeakPolarHBondContact CD-NE2 3.46Å; R999-H1022 PolarHBondContact NH1-CE1 3.01Å; F1001-H1022 HydrophobicContact CE1-CB 4.34Å; F1001-H1022 HydrophobicContact CE2-CB 4.32Å; F1001-H1022 AromaticContact CE2-CD2 3.73Å; F1001-H1022 HydrophobicContact CZ-CB 3.57Å; F1001-H1022 AromaticContact CZ-CD2 3.51Å; F1001-H1022 AromaticContact CZ-CG 3.75Å; D1018-H1022 PolarHBondContact O-N 3.34Å; S1019-H1022 VanDerWaalsContact O-CB 3.31Å; S1019-H1022 WeakPolarHBondContact O-CB 3.3Å; S1019-H1022 PolarHBondContact O-N 3.27Å; R1020-H1022 PolarHBondContact O-N 3.5Å; H1022-G1025 PolarHBondContact O-N 3.01Å; H1022-V1026 WeakPolarHBondContact ND1-CG2 3.29Å; H1022-V1026 WeakPolarHBondContact O-CB 3.49Å; H1022-V1026 PolarHBondContact O-N 2.88Å |
| 1023 | V | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -59.3 | -50 | 173 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | L945 Y976 Y979 M981 S1019 R1020 G1025 V1026 H1027 A1028 | L945-V1023 HydrophobicContact CD1-CB 4.24Å; L945-V1023 HydrophobicContact CD1-CG1 3.82Å; L945-V1023 HydrophobicContact CD1-CG2 4.06Å; Y976-V1023 HydrophobicContact CD2-CB 4.25Å; Y976-V1023 HydrophobicContact CD2-CG1 3.91Å; Y976-V1023 HydrophobicContact CE2-CB 4.29Å; Y976-V1023 HydrophobicContact CE2-CG1 4.33Å; Y979-V1023 HydrophobicContact CD2-CG1 4.23Å; Y979-V1023 HydrophobicContact CG-CG1 4.37Å; M981-V1023 HydrophobicContact SD-CG2 4.5Å; S1019-V1023 PolarHBondContact O-N 3.44Å; R1020-V1023 PolarHBondContact O-N 3.32Å; R1020-V1023 VanDerWaalsContact O-N 3.11Å; V1023-G1025 PolarHBondContact O-N 3.29Å; V1023-V1026 PolarHBondContact O-N 3.16Å; V1023-H1027 HydrophobicContact CG1-CB 4.1Å; V1023-H1027 WeakPolarHBondContact O-CA 3.25Å; V1023-H1027 WeakPolarHBondContact O-CB 3.48Å; V1023-H1027 PolarHBondContact O-N 3.11Å; V1023-A1028 PolarHBondContact O-N 3.22Å |
| 1024 | M | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -54.2 | -52.2 | 177.5 | -69 | 172.4 | 174.6 | 0 | 0 | 112.8 | M973 Y976 R1020 A1028 R1029 I1030 I1035 C1038 C1039 S1042 | M973-M1024 HydrophobicContact CE-CE 4.12Å; M973-M1024 HydrophobicContact SD-CE 4.15Å; Y976-M1024 HydrophobicContact CD2-CE 4.12Å; Y976-M1024 HydrophobicContact CD2-CG 3.57Å; Y976-M1024 HydrophobicContact CE1-CE 4.07Å; Y976-M1024 HydrophobicContact CE2-CE 3.58Å; Y976-M1024 HydrophobicContact CE2-CG 3.67Å; Y976-M1024 HydrophobicContact CE2-SD 4.48Å; Y976-M1024 HydrophobicContact CG-CG 4.38Å; R1020-M1024 WeakPolarHBondContact O-CG 3.13Å; R1020-M1024 PolarHBondContact O-N 3.03Å; M1024-A1028 CarbonylContact O-C 3.57Å; M1024-R1029 PolarHBondContact O-N 3.27Å; M1024-R1029 VanDerWaalsContact O-N 3.09Å; M1024-I1030 HydrophobicContact CB-CB 4.46Å; M1024-I1030 HydrophobicContact CB-CD1 4.07Å; M1024-I1030 HydrophobicContact CG-CD1 4.15Å; M1024-I1030 PolarHBondContact O-N 3.21Å; M1024-I1035 HydrophobicContact CB-CG1 4.35Å; M1024-I1035 HydrophobicContact SD-CG2 4.46Å; M1024-C1038 HydrophobicContact CE-CB 4.16Å; M1024-C1038 WeakPolarHBondContact CE-O 3.42Å; M1024-C1038 HydrophobicContact SD-CB 3.98Å; M1024-C1039 HydrophobicContact CE-CB 4.47Å; M1024-C1039 HydrophobicContact SD-CB 4.15Å; M1024-S1042 WeakPolarHBondContact CE-OG 3.42Å |
| 1025 | G | 92.4 | Very high | 90.7 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -80.9 | -15.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116 | R1021 H1022 V1023 | R1021-G1025 PolarHBondContact O-N 2.91Å; H1022-G1025 PolarHBondContact O-N 3.01Å; V1023-G1025 PolarHBondContact O-N 3.29Å |
| 1026 | V | 92 | Very high | 90.9 | Very high | 82 Ų | 82 | 45.8 Ų | 45.8 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -119.9 | -38.7 | -174.6 | 177.7 | 0 | 0 | 0 | 0 | 113.4 | H1022 V1023 | H1022-V1026 WeakPolarHBondContact ND1-CG2 3.29Å; H1022-V1026 WeakPolarHBondContact O-CB 3.49Å; H1022-V1026 PolarHBondContact O-N 2.88Å; V1023-V1026 PolarHBondContact O-N 3.16Å |
| 1027 | H | 91.6 | Very high | 91 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 18% | 0.181 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -90.6 | -56.2 | 177.9 | -69.1 | -88.5 | 0 | 0 | 0 | 110.7 | Y979 C997 V1023 R1029 | Y979-H1027 HydrophobicContact CD2-CB 4.01Å; Y979-H1027 HydrophobicContact CE1-CB 4.39Å; Y979-H1027 HydrophobicContact CE2-CB 3.65Å; C997-H1027 WeakPolarHBondContact CB-NE2 3.32Å; C997-H1027 PolarHBondContact N-CE1 3.43Å; C997-H1027 PolarHBondContact N-NE2 3.11Å; V1023-H1027 HydrophobicContact CG1-CB 4.1Å; V1023-H1027 WeakPolarHBondContact O-CA 3.25Å; V1023-H1027 WeakPolarHBondContact O-CB 3.48Å; V1023-H1027 PolarHBondContact O-N 3.11Å; H1027-R1029 VanDerWaalsContact C-N 3.27Å; H1027-R1029 PolarHBondContact O-N 2.89Å |
| 1028 | A | 91.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -79.1 | -3.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K972 V1023 M1024 I1030 | K972-A1028 WeakPolarHBondContact O-CB 3.4Å; V1023-A1028 PolarHBondContact O-N 3.22Å; M1024-A1028 CarbonylContact O-C 3.57Å; A1028-I1030 HydrophobicContact CB-CD1 4.12Å; A1028-I1030 HydrophobicContact CB-CG1 4.08Å; A1028-I1030 PolarHBondContact O-N 3.29Å; A1028-I1030 VanDerWaalsContact O-N 3.09Å |
| 1029 | R | 91.6 | Very high | 91.3 | Very high | 205 Ų | 205 | 40.1 Ų | 40.1 | 77% | 0.774 | 21% | 0.208 | S | C | * | . | trans | 54 | 26.2 | 177.2 | -53.4 | -176.9 | -177.2 | 179.5 | 3.8 | 115.3 | M1024 H1027 | M1024-R1029 PolarHBondContact O-N 3.27Å; M1024-R1029 VanDerWaalsContact O-N 3.09Å; H1027-R1029 VanDerWaalsContact C-N 3.27Å; H1027-R1029 PolarHBondContact O-N 2.89Å | ||
| 1030 | I | 91.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -64.9 | 129.5 | -179.1 | -64.1 | 173.2 | 0 | 0 | 0 | 109.8 | I969 K972 M973 M1024 A1028 F1034 I1035 C1038 | I969-I1030 HydrophobicContact CD1-CG2 4.28Å; K972-I1030 HydrophobicContact CB-CD1 4.44Å; K972-I1030 HydrophobicContact CB-CG1 3.82Å; M973-I1030 HydrophobicContact CG-CD1 3.9Å; M973-I1030 HydrophobicContact SD-CD1 3.39Å; M973-I1030 WeakPolarHBondContact SD-CD1 3.46Å; M1024-I1030 HydrophobicContact CB-CB 4.46Å; M1024-I1030 HydrophobicContact CB-CD1 4.07Å; M1024-I1030 HydrophobicContact CG-CD1 4.15Å; M1024-I1030 PolarHBondContact O-N 3.21Å; A1028-I1030 HydrophobicContact CB-CD1 4.12Å; A1028-I1030 HydrophobicContact CB-CG1 4.08Å; A1028-I1030 PolarHBondContact O-N 3.29Å; A1028-I1030 VanDerWaalsContact O-N 3.09Å; I1030-F1034 HydrophobicContact CG2-CB 4.05Å; I1030-I1035 HydrophobicContact CB-CG1 4.13Å; I1030-I1035 HydrophobicContact CG2-CG1 3.83Å; I1030-I1035 WeakPolarHBondContact O-CD1 3.45Å; I1030-I1035 WeakPolarHBondContact O-CG1 3.47Å; I1030-C1038 HydrophobicContact CD1-CB 4.4Å | ||
| 1031 | P | 87.6 | Confident | 91.2 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 35% | 0.351 | 21% | 0.21 | S | C | . | . | trans | -62.6 | 143.5 | -179.6 | -19.8 | 30.7 | 0 | 0 | 0 | 112.3 | V1033 F1034 I1035 | P1031-V1033 PolarHBondContact O-N 3.04Å; P1031-F1034 HydrophobicContact CB-CD2 4.04Å; P1031-F1034 HydrophobicContact CG-CD2 4.09Å; P1031-F1034 PolarHBondContact O-N 3.14Å; P1031-I1035 PolarHBondContact O-N 3.41Å | ||
| 1032 | N | 84.5 | Confident | 91.2 | Very high | 137 Ų | 137 | 36.4 Ų | 36.4 | 73% | 0.733 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.2 | -170 | -166 | -103.5 | 0 | 0 | 0 | 114.6 | ||
| 1033 | V | 87 | Confident | 91.1 | Very high | 80 Ų | 80 | 38 Ų | 38 | 49% | 0.485 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -46.2 | 176.1 | -156.8 | 0 | 0 | 0 | 0 | 111.1 | P1031 L1069 | P1031-V1033 PolarHBondContact O-N 3.04Å; V1033-L1069 HydrophobicContact CG1-CD2 3.67Å |
| 1034 | F | 90.5 | Very high | 90.9 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -25.9 | -177.3 | -60.2 | -75.8 | 0 | 0 | 0 | 113.6 | L956 I969 I1030 P1031 T1036 I1037 C1038 L1069 L1072 | L956-F1034 HydrophobicContact CD2-CD1 3.57Å; L956-F1034 HydrophobicContact CD2-CE1 3.98Å; I969-F1034 HydrophobicContact CD1-CB 3.86Å; I969-F1034 HydrophobicContact CD1-CD1 4.41Å; I969-F1034 HydrophobicContact CD1-CD2 3.55Å; I969-F1034 HydrophobicContact CD1-CE2 4.15Å; I969-F1034 HydrophobicContact CD1-CG 3.7Å; I969-F1034 HydrophobicContact CG1-CB 4.44Å; I969-F1034 HydrophobicContact CG1-CD1 4.22Å; I969-F1034 HydrophobicContact CG1-CD2 4.1Å; I969-F1034 HydrophobicContact CG1-CE1 4.47Å; I969-F1034 HydrophobicContact CG1-CE2 4.38Å; I969-F1034 HydrophobicContact CG1-CG 4.02Å; I1030-F1034 HydrophobicContact CG2-CB 4.05Å; P1031-F1034 HydrophobicContact CB-CD2 4.04Å; P1031-F1034 HydrophobicContact CG-CD2 4.09Å; P1031-F1034 PolarHBondContact O-N 3.14Å; F1034-T1036 PolarHBondContact O-N 3.09Å; F1034-I1037 PolarHBondContact O-N 2.94Å; F1034-C1038 PolarHBondContact O-N 3.07Å; F1034-C1038 PolarHBondContact O-SG 3.37Å; F1034-C1038 VanDerWaalsContact O-SG 3.34Å; F1034-L1069 HydrophobicContact CD1-CD1 3.97Å; F1034-L1069 HydrophobicContact CD1-CD2 4.41Å; F1034-L1069 HydrophobicContact CE1-CD1 3.52Å; F1034-L1069 HydrophobicContact CE1-CD2 4.49Å; F1034-L1069 HydrophobicContact CZ-CD1 4.46Å; F1034-L1072 HydrophobicContact CZ-CD1 4.41Å; F1034-L1072 HydrophobicContact CZ-CG 4.47Å |
| 1035 | I | 91.7 | Very high | 90.3 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -47.2 | -34.3 | -178.5 | -72.5 | -179.4 | 0 | 0 | 0 | 113.1 | R1021 M1024 I1030 P1031 C1039 | R1021-I1035 HydrophobicContact CB-CG2 4.06Å; R1021-I1035 HydrophobicContact CG-CG2 3.73Å; M1024-I1035 HydrophobicContact CB-CG1 4.35Å; M1024-I1035 HydrophobicContact SD-CG2 4.46Å; I1030-I1035 HydrophobicContact CB-CG1 4.13Å; I1030-I1035 HydrophobicContact CG2-CG1 3.83Å; I1030-I1035 WeakPolarHBondContact O-CD1 3.45Å; I1030-I1035 WeakPolarHBondContact O-CG1 3.47Å; P1031-I1035 PolarHBondContact O-N 3.41Å; I1035-C1039 WeakPolarHBondContact O-CB 3.41Å; I1035-C1039 PolarHBondContact O-N 3.3Å |
| 1036 | T | 90.3 | Very high | 89.8 | Confident | 50 Ų | 50 | 45 Ų | 45 | 31% | 0.307 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.2 | -37.3 | -179.5 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | R1021 F1034 C1039 Q1040 I1067 | R1021-T1036 PolarHBondContact NH1-OG1 2.95Å; F1034-T1036 PolarHBondContact O-N 3.09Å; T1036-C1039 PolarHBondContact O-N 3.45Å; T1036-Q1040 PolarHBondContact O-N 3.12Å; T1036-I1067 HydrophobicContact CG2-CD1 3.34Å |
| 1037 | I | 90.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.4 | -49.5 | 173.7 | -62.3 | 173.9 | 0 | 0 | 0 | 109.7 | L952 L955 L956 F1034 C1039 Q1040 A1041 I1067 L1069 | L952-I1037 HydrophobicContact CD1-CG2 4.37Å; L955-I1037 HydrophobicContact CB-CG2 3.72Å; L955-I1037 HydrophobicContact CD1-CG2 4.43Å; L956-I1037 HydrophobicContact CD2-CD1 4.11Å; L956-I1037 HydrophobicContact CD2-CG2 4.05Å; L956-I1037 HydrophobicContact CG-CG2 4.24Å; F1034-I1037 PolarHBondContact O-N 2.94Å; I1037-C1039 PolarHBondContact O-N 2.94Å; I1037-Q1040 WeakPolarHBondContact O-CA 3.36Å; I1037-Q1040 WeakPolarHBondContact O-CB 3.16Å; I1037-Q1040 PolarHBondContact O-N 3Å; I1037-A1041 PolarHBondContact O-N 2.89Å; I1037-I1067 HydrophobicContact CD1-CB 4.47Å; I1037-I1067 HydrophobicContact CD1-CG2 4.26Å; I1037-I1067 HydrophobicContact CG1-CB 4.17Å; I1037-I1067 HydrophobicContact CG1-CD1 3.92Å; I1037-I1067 HydrophobicContact CG1-CG2 4.15Å; I1037-L1069 HydrophobicContact CD1-CD1 4.05Å; I1037-L1069 HydrophobicContact CD1-CD2 3.87Å; I1037-L1069 HydrophobicContact CD1-CG 3.99Å |
| 1038 | C | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.2 | -37.7 | 174.5 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | M973 M1024 I1030 F1034 S1042 | M973-C1038 HydrophobicContact CE-CB 4.41Å; M973-C1038 HydrophobicContact CG-CB 4.37Å; M973-C1038 HydrophobicContact SD-CB 3.66Å; M1024-C1038 HydrophobicContact CE-CB 4.16Å; M1024-C1038 WeakPolarHBondContact CE-O 3.42Å; M1024-C1038 HydrophobicContact SD-CB 3.98Å; I1030-C1038 HydrophobicContact CD1-CB 4.4Å; F1034-C1038 PolarHBondContact O-N 3.07Å; F1034-C1038 PolarHBondContact O-SG 3.37Å; F1034-C1038 VanDerWaalsContact O-SG 3.34Å; C1038-S1042 PolarHBondContact O-N 3.39Å; C1038-S1042 PolarHBondContact O-OG 3.09Å |
| 1039 | C | 93.1 | Very high | 88 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.054 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.5 | -24.5 | 176 | -175.6 | 0 | 0 | 0 | 0 | 113.8 | R1020 R1021 M1024 I1035 T1036 I1037 | R1020-C1039 PolarHBondContact NH2-O 3.2Å; R1021-C1039 HydrophobicContact CG-CB 4.28Å; M1024-C1039 HydrophobicContact CE-CB 4.47Å; M1024-C1039 HydrophobicContact SD-CB 4.15Å; I1035-C1039 WeakPolarHBondContact O-CB 3.41Å; I1035-C1039 PolarHBondContact O-N 3.3Å; T1036-C1039 PolarHBondContact O-N 3.45Å; I1037-C1039 PolarHBondContact O-N 2.94Å |
| 1040 | Q | 91.1 | Very high | 87.6 | Confident | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76 | -49.3 | 170.3 | -72.8 | 168.3 | -55.8 | 0 | 0 | 111.1 | L955 T1036 I1037 S1042 R1043 A1062 R1065 | L955-Q1040 HydrophobicContact CD1-CB 4.19Å; T1036-Q1040 PolarHBondContact O-N 3.12Å; I1037-Q1040 WeakPolarHBondContact O-CA 3.36Å; I1037-Q1040 WeakPolarHBondContact O-CB 3.16Å; I1037-Q1040 PolarHBondContact O-N 3Å; Q1040-S1042 PolarHBondContact O-N 3.44Å; Q1040-R1043 WeakPolarHBondContact O-CG 3.32Å; Q1040-R1043 PolarHBondContact O-N 3.05Å; Q1040-A1062 HydrophobicContact CB-CB 4.16Å; Q1040-A1062 HydrophobicContact CG-CB 4.41Å; Q1040-A1062 PolarHBondContact NE2-O 3.45Å; Q1040-R1065 PolarHBondContact NE2-O 3.08Å |
| 1041 | A | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 6.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F947 S948 V951 L952 L955 I1037 | F947-A1041 WeakPolarHBondContact CA-O 3.46Å; S948-A1041 PolarHBondContact N-O 2.78Å; V951-A1041 HydrophobicContact CG1-CB 4.46Å; L952-A1041 HydrophobicContact CB-CB 3.76Å; L952-A1041 HydrophobicContact CD1-CB 4.08Å; L955-A1041 HydrophobicContact CD1-CB 4.42Å; I1037-A1041 PolarHBondContact O-N 2.89Å |
| 1042 | S | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | 27.3 | 179.4 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | P946 R1020 M1024 C1038 Q1040 I1044 | P946-S1042 WeakPolarHBondContact O-CB 3.39Å; R1020-S1042 PolarHBondContact NE-O 3.12Å; R1020-S1042 PolarHBondContact NH1-O 3.22Å; R1020-S1042 VanDerWaalsContact NH2-C 3.29Å; R1020-S1042 PolarHBondContact NH2-O 3.43Å; R1020-S1042 PolarHBondContact NH2-OG 3.29Å; M1024-S1042 WeakPolarHBondContact CE-OG 3.42Å; C1038-S1042 PolarHBondContact O-N 3.39Å; C1038-S1042 PolarHBondContact O-OG 3.09Å; Q1040-S1042 PolarHBondContact O-N 3.44Å; S1042-I1044 PolarHBondContact O-N 2.8Å; S1042-I1044 VanDerWaalsContact O-N 3.11Å |
| 1043 | R | 90.1 | Very high | 87.7 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 24% | 0.242 | 23% | 0.232 | C | C | . | . | trans | -65.5 | 115.4 | -179.6 | -75.3 | -177.6 | -158.5 | -157.8 | 14 | 110.7 | Q1040 Y1053 L1058 L1061 | Q1040-R1043 WeakPolarHBondContact O-CG 3.32Å; Q1040-R1043 PolarHBondContact O-N 3.05Å; R1043-Y1053 HydrophobicContact CB-CD2 3.69Å; R1043-Y1053 HydrophobicContact CB-CE2 4.05Å; R1043-Y1053 WeakPolarHBondContact O-CD2 3.34Å; R1043-Y1053 PolarHBondContact O-N 3.08Å; R1043-L1058 HydrophobicContact CB-CD2 3.77Å; R1043-L1061 VanDerWaalsContact NH2-C 3.34Å; R1043-L1061 PolarHBondContact NH2-O 3.19Å | ||
| 1044 | I | 88.4 | Confident | 87.8 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -108.9 | 144.1 | 165.4 | 61.3 | 171.7 | 0 | 0 | 0 | 109.3 | L943 P946 L1016 S1042 F1050 Q1051 I1052 | L943-I1044 HydrophobicContact CD2-CD1 3.69Å; L943-I1044 HydrophobicContact CG-CD1 4.27Å; P946-I1044 HydrophobicContact CG-CG2 3.69Å; L1016-I1044 HydrophobicContact CD1-CD1 4.35Å; L1016-I1044 HydrophobicContact CD2-CD1 4.21Å; L1016-I1044 HydrophobicContact CD2-CG1 3.94Å; L1016-I1044 HydrophobicContact CG-CG1 4.38Å; S1042-I1044 PolarHBondContact O-N 2.8Å; S1042-I1044 VanDerWaalsContact O-N 3.11Å; I1044-F1050 WeakPolarHBondContact CB-O 3.42Å; I1044-F1050 WeakPolarHBondContact CG2-O 3.18Å; I1044-Q1051 VanDerWaalsContact CA-O 3.28Å; I1044-Q1051 WeakPolarHBondContact CA-O 3.4Å; I1044-Q1051 WeakPolarHBondContact CB-O 3.49Å; I1044-Q1051 WeakPolarHBondContact CG2-O 3.41Å; I1044-I1052 HydrophobicContact CG2-CB 4.44Å |
| 1045 | T | 83.3 | Confident | 87.8 | Confident | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | trans | -132.9 | 160.7 | -177.6 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | E1047 Y1048 F1050 Y1053 | T1045-E1047 VanDerWaalsContact C-N 3.29Å; T1045-E1047 HydrophobicContact CG2-CB 4.09Å; T1045-E1047 PolarHBondContact OG1-N 3.1Å; T1045-E1047 PolarHBondContact OG1-OE2 2.91Å; T1045-Y1048 VanDerWaalsContact CG2-CB 3.48Å; T1045-F1050 WeakPolarHBondContact O-CA 3.41Å; T1045-F1050 PolarHBondContact O-N 2.8Å; T1045-Y1053 WeakPolarHBondContact CB-OH 3.39Å; T1045-Y1053 HydrophobicContact CG2-CD1 4.28Å; T1045-Y1053 HydrophobicContact CG2-CE1 3.51Å; T1045-Y1053 HydrophobicContact CG2-CE2 3.9Å; T1045-Y1053 VanDerWaalsContact CG2-OH 3.3Å; T1045-Y1053 WeakPolarHBondContact CG2-OH 3.34Å | ||
| 1046 | R | 80.2 | Confident | 87.5 | Confident | 148 Ų | 148 | 55.1 Ų | 55.1 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -70.1 | -25.8 | 171.4 | -173.2 | 175.7 | -171.2 | -134.5 | 3.6 | 112.4 | D988 Y1048 F1050 | D988-R1046 PolarHBondContact O-NH2 3.12Å; R1046-Y1048 PolarHBondContact O-N 3.36Å; R1046-F1050 HydrophobicContact CB-CE1 4.23Å; R1046-F1050 HydrophobicContact CB-CE2 4.13Å; R1046-F1050 HydrophobicContact CB-CZ 3.77Å; R1046-F1050 HydrophobicContact CG-CE2 3.87Å; R1046-F1050 HydrophobicContact CG-CZ 3.78Å |
| 1047 | E | 77.5 | Confident | 87.3 | Confident | 159 Ų | 159 | 56 Ų | 56 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -73 | -9.8 | -178.8 | -59 | 129.7 | 176 | 0 | 0 | 113.7 | T1045 Y1053 | T1045-E1047 VanDerWaalsContact C-N 3.29Å; T1045-E1047 HydrophobicContact CG2-CB 4.09Å; T1045-E1047 PolarHBondContact OG1-N 3.1Å; T1045-E1047 PolarHBondContact OG1-OE2 2.91Å; E1047-Y1053 PolarHBondContact OE2-OH 3.35Å |
| 1048 | Y | 80.6 | Confident | 87.2 | Confident | 102 Ų | 102 | 56 Ų | 56 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -133.4 | 37.6 | -173.5 | -140.9 | -108 | 0 | 0 | 0 | 109.1 | T1045 R1046 F1050 Q1051 I1052 | T1045-Y1048 VanDerWaalsContact CG2-CB 3.48Å; R1046-Y1048 PolarHBondContact O-N 3.36Å; Y1048-F1050 PolarHBondContact O-N 3.2Å; Y1048-Q1051 HydrophobicContact CD1-CB 4.24Å; Y1048-Q1051 WeakPolarHBondContact O-CA 3.31Å; Y1048-Q1051 VanDerWaalsContact O-CB 3.25Å; Y1048-Q1051 WeakPolarHBondContact O-CB 3.15Å; Y1048-Q1051 WeakPolarHBondContact O-CG 3.41Å; Y1048-Q1051 PolarHBondContact O-N 3.3Å; Y1048-I1052 WeakPolarHBondContact CD1-O 3.45Å; Y1048-I1052 WeakPolarHBondContact CE1-O 3.35Å |
| 1049 | D | 79.6 | Confident | 86.9 | Confident | 133 Ų | 133 | 58.3 Ų | 58.3 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 30.8 | -178.5 | -70.6 | -48.4 | 0 | 0 | 0 | 116.7 | Q1051 | D1049-Q1051 PolarHBondContact O-N 3Š|
| 1050 | F | 83.1 | Confident | 86.5 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 9% | 0.088 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 15.7 | -173.7 | -52.5 | -99.5 | 0 | 0 | 0 | 114.5 | L943 R983 F993 L1016 I1044 T1045 R1046 Y1048 | L943-F1050 HydrophobicContact CD1-CB 3.55Å; L943-F1050 HydrophobicContact CD1-CD1 3.89Å; L943-F1050 HydrophobicContact CD1-CD2 4.31Å; L943-F1050 HydrophobicContact CD1-CG 3.68Å; L943-F1050 HydrophobicContact CD2-CB 4.5Å; L943-F1050 HydrophobicContact CD2-CD1 4.08Å; L943-F1050 HydrophobicContact CG-CB 4.2Å; R983-F1050 VanDerWaalsContact NH1-CD2 3.32Å; F993-F1050 HydrophobicContact CZ-CE1 4.44Å; L1016-F1050 HydrophobicContact CD2-CD1 3.84Å; L1016-F1050 HydrophobicContact CD2-CE1 4.03Å; I1044-F1050 WeakPolarHBondContact CB-O 3.42Å; I1044-F1050 WeakPolarHBondContact CG2-O 3.18Å; T1045-F1050 WeakPolarHBondContact O-CA 3.41Å; T1045-F1050 PolarHBondContact O-N 2.8Å; R1046-F1050 HydrophobicContact CB-CE1 4.23Å; R1046-F1050 HydrophobicContact CB-CE2 4.13Å; R1046-F1050 HydrophobicContact CB-CZ 3.77Å; R1046-F1050 HydrophobicContact CG-CE2 3.87Å; R1046-F1050 HydrophobicContact CG-CZ 3.78Å; Y1048-F1050 PolarHBondContact O-N 3.2Å |
| 1051 | Q | 86.7 | Confident | 86 | Confident | 118 Ų | 118 | 67 Ų | 67 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 171.6 | 159.8 | -48.9 | -175.1 | 28.1 | 0 | 0 | 110 | I1044 Y1048 D1049 | I1044-Q1051 VanDerWaalsContact CA-O 3.28Å; I1044-Q1051 WeakPolarHBondContact CA-O 3.4Å; I1044-Q1051 WeakPolarHBondContact CB-O 3.49Å; I1044-Q1051 WeakPolarHBondContact CG2-O 3.41Å; Y1048-Q1051 HydrophobicContact CD1-CB 4.24Å; Y1048-Q1051 WeakPolarHBondContact O-CA 3.31Å; Y1048-Q1051 VanDerWaalsContact O-CB 3.25Å; Y1048-Q1051 WeakPolarHBondContact O-CB 3.15Å; Y1048-Q1051 WeakPolarHBondContact O-CG 3.41Å; Y1048-Q1051 PolarHBondContact O-N 3.3Å; D1049-Q1051 PolarHBondContact O-N 3Å |
| 1052 | I | 90.6 | Very high | 85.5 | Confident | 41 Ų | 41 | 67 Ų | 67 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -80.5 | 144.5 | 176.7 | -160.2 | 176.2 | 0 | 0 | 0 | 110.6 | P946 F947 S948 I1044 Y1048 L1058 | P946-I1052 HydrophobicContact CB-CB 4.3Å; P946-I1052 HydrophobicContact CG-CB 4.05Å; F947-I1052 VanDerWaalsContact C-CD1 3.41Å; S948-I1052 VanDerWaalsContact N-CD1 3.26Å; I1044-I1052 HydrophobicContact CG2-CB 4.44Å; Y1048-I1052 WeakPolarHBondContact CD1-O 3.45Å; Y1048-I1052 WeakPolarHBondContact CE1-O 3.35Å; I1052-L1058 HydrophobicContact CD1-CD1 3.74Å; I1052-L1058 HydrophobicContact CG1-CD1 3.97Å; I1052-L1058 HydrophobicContact CG1-CD2 4.23Å |
| 1053 | Y | 89.4 | Confident | 84.4 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 152.3 | 167.6 | -68.8 | -71.8 | 0 | 0 | 0 | 111 | R1043 T1045 E1047 M1057 L1058 L1061 | R1043-Y1053 HydrophobicContact CB-CD2 3.69Å; R1043-Y1053 HydrophobicContact CB-CE2 4.05Å; R1043-Y1053 WeakPolarHBondContact O-CD2 3.34Å; R1043-Y1053 PolarHBondContact O-N 3.08Å; T1045-Y1053 WeakPolarHBondContact CB-OH 3.39Å; T1045-Y1053 HydrophobicContact CG2-CD1 4.28Å; T1045-Y1053 HydrophobicContact CG2-CE1 3.51Å; T1045-Y1053 HydrophobicContact CG2-CE2 3.9Å; T1045-Y1053 VanDerWaalsContact CG2-OH 3.3Å; T1045-Y1053 WeakPolarHBondContact CG2-OH 3.34Å; E1047-Y1053 PolarHBondContact OE2-OH 3.35Å; Y1053-M1057 HydrophobicContact CD1-CE 4.46Å; Y1053-M1057 HydrophobicContact CD1-SD 3.32Å; Y1053-M1057 WeakPolarHBondContact CD1-SD 3.48Å; Y1053-M1057 HydrophobicContact CE1-SD 3.69Å; Y1053-M1057 HydrophobicContact CG-SD 3.99Å; Y1053-L1058 HydrophobicContact CD2-CD2 4.38Å; Y1053-L1058 WeakPolarHBondContact O-CD1 3.49Å; Y1053-L1058 WeakPolarHBondContact O-CG 3.38Å; Y1053-L1061 HydrophobicContact CD2-CD1 4.1Å; Y1053-L1061 HydrophobicContact CE2-CD1 4.07Å |
| 1054 | P | 88.7 | Confident | 83.1 | Confident | 53 Ų | 53 | 73.4 Ų | 73.4 | 34% | 0.344 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 152.2 | 170.8 | -24.9 | 34.8 | 0 | 0 | 0 | 113.2 | D1056 M1057 L1058 | P1054-D1056 PolarHBondContact O-N 3.17Å; P1054-M1057 CarbonylContact O-C 3.59Å; P1054-M1057 WeakPolarHBondContact O-CA 3.34Å; P1054-M1057 WeakPolarHBondContact O-CB 3.39Å; P1054-M1057 PolarHBondContact O-N 3.47Å; P1054-L1058 PolarHBondContact O-N 3Å |
| 1055 | D | 89.2 | Confident | 81.7 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.8 | -43.6 | -171.5 | -83.9 | 9.5 | 0 | 0 | 0 | 113.7 | S948 V951 M1057 L1058 L1059 | S948-D1055 WeakPolarHBondContact CB-OD1 3.1Å; S948-D1055 PolarHBondContact OG-OD1 3.2Å; S948-D1055 PolarHBondContact OG-OD2 2.94Å; V951-D1055 HydrophobicContact CG2-CB 3.57Å; V951-D1055 VanDerWaalsContact CG2-CG 3.5Å; V951-D1055 WeakPolarHBondContact CG2-O 3.25Å; D1055-M1057 PolarHBondContact O-N 3.42Å; D1055-L1058 PolarHBondContact O-N 2.94Å; D1055-L1059 WeakPolarHBondContact O-CB 3.5Å; D1055-L1059 PolarHBondContact O-N 3.21Å |
| 1056 | D | 86.1 | Confident | 80.5 | Confident | 117 Ų | 117 | 84.1 Ų | 84.1 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.4 | -37 | 174.7 | -60.8 | -50.4 | 0 | 0 | 0 | 112.6 | P1054 R1060 | P1054-D1056 PolarHBondContact O-N 3.17Å; D1056-R1060 WeakPolarHBondContact O-CB 3.49Å; D1056-R1060 PolarHBondContact O-N 3.07Å |
| 1057 | M | 86.1 | Confident | 79.5 | Confident | 69 Ų | 69 | 79.4 Ų | 79.4 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -78.4 | -39.8 | -180 | -163 | -173.2 | -61.4 | 0 | 0 | 110.8 | Y1053 P1054 D1055 L1059 L1061 | Y1053-M1057 HydrophobicContact CD1-CE 4.46Å; Y1053-M1057 HydrophobicContact CD1-SD 3.32Å; Y1053-M1057 WeakPolarHBondContact CD1-SD 3.48Å; Y1053-M1057 HydrophobicContact CE1-SD 3.69Å; Y1053-M1057 HydrophobicContact CG-SD 3.99Å; P1054-M1057 CarbonylContact O-C 3.59Å; P1054-M1057 WeakPolarHBondContact O-CA 3.34Å; P1054-M1057 WeakPolarHBondContact O-CB 3.39Å; P1054-M1057 PolarHBondContact O-N 3.47Å; D1055-M1057 PolarHBondContact O-N 3.42Å; M1057-L1059 VanDerWaalsContact C-N 3.3Å; M1057-L1059 PolarHBondContact O-N 3.01Å; M1057-L1061 HydrophobicContact CG-CD1 3.89Å; M1057-L1061 HydrophobicContact CG-CG 4.22Å; M1057-L1061 WeakPolarHBondContact O-CB 3.46Å; M1057-L1061 WeakPolarHBondContact O-CD1 3.33Å; M1057-L1061 WeakPolarHBondContact O-CG 3.36Å; M1057-L1061 PolarHBondContact O-N 3.47Å; M1057-L1061 HydrophobicContact SD-CD1 4.39Å |
| 1058 | L | 88.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 171.5 | -67.5 | 175.4 | 0 | 0 | 0 | 111.4 | V951 R1043 I1052 Y1053 P1054 D1055 A1062 | V951-L1058 HydrophobicContact CB-CB 4.43Å; V951-L1058 HydrophobicContact CG1-CB 3.91Å; V951-L1058 HydrophobicContact CG2-CB 4.23Å; V951-L1058 HydrophobicContact CG2-CD1 4.44Å; R1043-L1058 HydrophobicContact CB-CD2 3.77Å; I1052-L1058 HydrophobicContact CD1-CD1 3.74Å; I1052-L1058 HydrophobicContact CG1-CD1 3.97Å; I1052-L1058 HydrophobicContact CG1-CD2 4.23Å; Y1053-L1058 HydrophobicContact CD2-CD2 4.38Å; Y1053-L1058 WeakPolarHBondContact O-CD1 3.49Å; Y1053-L1058 WeakPolarHBondContact O-CG 3.38Å; P1054-L1058 PolarHBondContact O-N 3Å; D1055-L1058 PolarHBondContact O-N 2.94Å; L1058-A1062 VanDerWaalsContact O-CB 3.28Å; L1058-A1062 WeakPolarHBondContact O-CB 3.49Å; L1058-A1062 PolarHBondContact O-N 2.81Å |
| 1059 | L | 86.6 | Confident | 76.8 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66 | -51.3 | -179.9 | -179.6 | 54 | 0 | 0 | 0 | 111.3 | V951 H954 L955 D1055 M1057 L1061 A1062 M1063 | V951-L1059 HydrophobicContact CG1-CB 4.42Å; H954-L1059 VanDerWaalsContact CD2-CD1 3.43Å; H954-L1059 WeakPolarHBondContact CD2-CD1 3.38Å; L955-L1059 HydrophobicContact CD2-CD1 4.02Å; D1055-L1059 WeakPolarHBondContact O-CB 3.5Å; D1055-L1059 PolarHBondContact O-N 3.21Å; M1057-L1059 VanDerWaalsContact C-N 3.3Å; M1057-L1059 PolarHBondContact O-N 3.01Å; L1059-L1061 PolarHBondContact O-N 2.91Å; L1059-A1062 WeakPolarHBondContact O-CA 3.37Å; L1059-A1062 WeakPolarHBondContact O-CB 3.2Å; L1059-A1062 PolarHBondContact O-N 3.31Å; L1059-M1063 HydrophobicContact CD1-CE 3.71Å; L1059-M1063 HydrophobicContact CD1-CG 4.32Å; L1059-M1063 WeakPolarHBondContact O-CG 3.44Å; L1059-M1063 PolarHBondContact O-N 3.21Å |
| 1060 | R | 83.6 | Confident | 75 | Confident | 164 Ų | 164 | 75.6 Ų | 75.6 | 62% | 0.619 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -55.2 | -50.7 | 175.4 | -167.2 | -175.2 | -47.3 | 166.8 | 6.8 | 111.5 | D1056 A1062 M1063 D1064 | D1056-R1060 WeakPolarHBondContact O-CB 3.49Å; D1056-R1060 PolarHBondContact O-N 3.07Å; R1060-A1062 PolarHBondContact O-N 2.91Å; R1060-M1063 PolarHBondContact O-N 2.99Å; R1060-M1063 VanDerWaalsContact O-N 3.09Å; R1060-D1064 PolarHBondContact O-N 3.1Å; R1060-D1064 VanDerWaalsContact O-N 3.1Å |
| 1061 | L | 82.4 | Confident | 73 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 20% | 0.204 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63 | -24.7 | 176.7 | -74.1 | 173.2 | 0 | 0 | 0 | 113.4 | R1043 Y1053 M1057 L1059 D1064 | R1043-L1061 VanDerWaalsContact NH2-C 3.34Å; R1043-L1061 PolarHBondContact NH2-O 3.19Å; Y1053-L1061 HydrophobicContact CD2-CD1 4.1Å; Y1053-L1061 HydrophobicContact CE2-CD1 4.07Å; M1057-L1061 HydrophobicContact CG-CD1 3.89Å; M1057-L1061 HydrophobicContact CG-CG 4.22Å; M1057-L1061 WeakPolarHBondContact O-CB 3.46Å; M1057-L1061 WeakPolarHBondContact O-CD1 3.33Å; M1057-L1061 WeakPolarHBondContact O-CG 3.36Å; M1057-L1061 PolarHBondContact O-N 3.47Å; M1057-L1061 HydrophobicContact SD-CD1 4.39Å; L1059-L1061 PolarHBondContact O-N 2.91Å; L1061-D1064 WeakPolarHBondContact CA-OD2 3.36Å |
| 1062 | A | 80.5 | Confident | 70.9 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -80.1 | -38.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L955 Q1040 L1058 L1059 R1060 D1064 R1065 | L955-A1062 HydrophobicContact CD1-CB 3.64Å; L955-A1062 HydrophobicContact CD2-CB 3.6Å; L955-A1062 HydrophobicContact CG-CB 4.27Å; Q1040-A1062 HydrophobicContact CB-CB 4.16Å; Q1040-A1062 HydrophobicContact CG-CB 4.41Å; Q1040-A1062 PolarHBondContact NE2-O 3.45Å; L1058-A1062 VanDerWaalsContact O-CB 3.28Å; L1058-A1062 WeakPolarHBondContact O-CB 3.49Å; L1058-A1062 PolarHBondContact O-N 2.81Å; L1059-A1062 WeakPolarHBondContact O-CA 3.37Å; L1059-A1062 WeakPolarHBondContact O-CB 3.2Å; L1059-A1062 PolarHBondContact O-N 3.31Å; R1060-A1062 PolarHBondContact O-N 2.91Å; A1062-D1064 VanDerWaalsContact C-N 3.28Å; A1062-D1064 PolarHBondContact O-N 2.85Å; A1062-R1065 CarbonylContact O-C 3.41Å; A1062-R1065 PolarHBondContact O-N 3.42Å |
| 1063 | M | 70.9 | Confident | 68.4 | Low | 86 Ų | 86 | 80.3 Ų | 80.3 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67 | -23.2 | 175.7 | -67.7 | -57.2 | 142.3 | 0 | 0 | 113.7 | L955 L1059 R1060 R1065 P1066 | L955-M1063 HydrophobicContact CD2-CE 3.53Å; L1059-M1063 HydrophobicContact CD1-CE 3.71Å; L1059-M1063 HydrophobicContact CD1-CG 4.32Å; L1059-M1063 WeakPolarHBondContact O-CG 3.44Å; L1059-M1063 PolarHBondContact O-N 3.21Å; R1060-M1063 PolarHBondContact O-N 2.99Å; R1060-M1063 VanDerWaalsContact O-N 3.09Å; M1063-R1065 PolarHBondContact O-N 3.27Å; M1063-R1065 VanDerWaalsContact O-N 3.1Å; M1063-P1066 WeakPolarHBondContact O-CD 3.3Å |
| 1064 | D | 63.6 | Low | 65.8 | Low | 112 Ų | 112 | 85.3 Ų | 85.3 | 60% | 0.599 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23.6 | 165.1 | -69.5 | -30 | 0 | 0 | 0 | 113.6 | R1060 L1061 A1062 | R1060-D1064 PolarHBondContact O-N 3.1Å; R1060-D1064 VanDerWaalsContact O-N 3.1Å; L1061-D1064 WeakPolarHBondContact CA-OD2 3.36Å; A1062-D1064 VanDerWaalsContact C-N 3.28Å; A1062-D1064 PolarHBondContact O-N 2.85Å |
| 1065 | R | 57.9 | Low | 63.4 | Low | 162 Ų | 162 | 87.1 Ų | 87.1 | 61% | 0.611 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -144.1 | 69 | -175.7 | -59.8 | -173.2 | -169.2 | -172.7 | 5.1 | 110.1 | Q1040 A1062 M1063 I1067 | Q1040-R1065 PolarHBondContact NE2-O 3.08Å; A1062-R1065 CarbonylContact O-C 3.41Å; A1062-R1065 PolarHBondContact O-N 3.42Å; M1063-R1065 PolarHBondContact O-N 3.27Å; M1063-R1065 VanDerWaalsContact O-N 3.1Å; R1065-I1067 WeakPolarHBondContact O-CG1 3.21Å; R1065-I1067 PolarHBondContact O-N 3.24Å |
| 1066 | P | 58 | Low | 60.6 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 61% | 0.61 | 45% | 0.454 | S | S | * | . | trans | -67.2 | 133.1 | -172.1 | 28.9 | -32.8 | 0 | 0 | 0 | 110.4 | M1063 | M1063-P1066 WeakPolarHBondContact O-CD 3.3Š| ||
| 1067 | I | 59.1 | Low | 58.2 | Low | 49 Ų | 49 | 85.6 Ų | 85.6 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | trans | -108.2 | 118.7 | -176.9 | -54.3 | -173.8 | 0 | 0 | 0 | 108.6 | S959 T1036 I1037 R1065 | S959-I1067 VanDerWaalsContact CB-O 3.23Å; S959-I1067 WeakPolarHBondContact CB-O 3.33Å; T1036-I1067 HydrophobicContact CG2-CD1 3.34Å; I1037-I1067 HydrophobicContact CD1-CB 4.47Å; I1037-I1067 HydrophobicContact CD1-CG2 4.26Å; I1037-I1067 HydrophobicContact CG1-CB 4.17Å; I1037-I1067 HydrophobicContact CG1-CD1 3.92Å; I1037-I1067 HydrophobicContact CG1-CG2 4.15Å; R1065-I1067 WeakPolarHBondContact O-CG1 3.21Å; R1065-I1067 PolarHBondContact O-N 3.24Å | ||
| 1068 | K | 50.5 | Low | 55.9 | Low | 173 Ų | 173 | 88.2 Ų | 88.2 | 75% | 0.752 | 47% | 0.474 | S | S | * | . | trans | -98.7 | 125.1 | 170.7 | -59 | -162.1 | 175.1 | -161.5 | 0 | 109.1 | N1070 | K1068-N1070 VanDerWaalsContact C-N 3.31Å; K1068-N1070 PolarHBondContact O-N 2.99Å | ||
| 1069 | L | 50.6 | Low | 53.2 | Low | 18 Ų | 18 | 95 Ų | 95 | 9% | 0.094 | 51% | 0.51 | C | S | . | . | trans | -81 | 76.5 | -180 | -67.8 | 175.4 | 0 | 0 | 0 | 110.7 | S959 A961 V1033 F1034 I1037 N1071 L1072 | S959-L1069 WeakPolarHBondContact O-CB 3.15Å; S959-L1069 PolarHBondContact O-N 3.48Å; S959-L1069 WeakPolarHBondContact OG-CD1 3.35Å; S959-L1069 WeakPolarHBondContact OG-CG 3.15Å; A961-L1069 HydrophobicContact CB-CD1 4.32Å; V1033-L1069 HydrophobicContact CG1-CD2 3.67Å; F1034-L1069 HydrophobicContact CD1-CD1 3.97Å; F1034-L1069 HydrophobicContact CD1-CD2 4.41Å; F1034-L1069 HydrophobicContact CE1-CD1 3.52Å; F1034-L1069 HydrophobicContact CE1-CD2 4.49Å; F1034-L1069 HydrophobicContact CZ-CD1 4.46Å; I1037-L1069 HydrophobicContact CD1-CD1 4.05Å; I1037-L1069 HydrophobicContact CD1-CD2 3.87Å; I1037-L1069 HydrophobicContact CD1-CG 3.99Å; L1069-N1071 PolarHBondContact O-N 2.67Å; L1069-N1071 VanDerWaalsContact O-N 3.15Å; L1069-L1072 HydrophobicContact CB-CD1 3.6Å; L1069-L1072 HydrophobicContact CD1-CD1 3.94Å; L1069-L1072 HydrophobicContact CG-CD1 4.31Å | ||
| 1070 | N | 42.4 | Very low | 50.9 | Low | 122 Ų | 122 | 99.4 Ų | 99.4 | 65% | 0.652 | 54% | 0.539 | S | S | * | . | trans | -65.5 | 115.5 | 170.7 | -76.2 | 70.2 | 0 | 0 | 0 | 110.4 | K1068 | K1068-N1070 VanDerWaalsContact C-N 3.31Å; K1068-N1070 PolarHBondContact O-N 2.99Å | ||
| 1071 | N | 42.1 | Very low | 48.6 | Very low | 150 Ų | 150 | 97.6 Ų | 97.6 | 80% | 0.802 | 55% | 0.546 | S | S | * | . | trans | 79.7 | 78.1 | 176.6 | -49.2 | 7.2 | 0 | 0 | 0 | 114.9 | L1069 | L1069-N1071 PolarHBondContact O-N 2.67Å; L1069-N1071 VanDerWaalsContact O-N 3.15Å | ||
| 1072 | L | 41.1 | Very low | 46.2 | Very low | 45 Ų | 45 | 102.3 Ų | 102.3 | 24% | 0.236 | 58% | 0.576 | C | S | . | * | P | Polyproline II helix | trans | -84 | 142.9 | 152 | -93.7 | 64.3 | 0 | 0 | 0 | 110 | A961 P962 F1034 L1069 | A961-L1072 HydrophobicContact CB-CD2 4.4Å; P962-L1072 HydrophobicContact CG-CD2 4.37Å; F1034-L1072 HydrophobicContact CZ-CD1 4.41Å; F1034-L1072 HydrophobicContact CZ-CG 4.47Å; L1069-L1072 HydrophobicContact CB-CD1 3.6Å; L1069-L1072 HydrophobicContact CD1-CD1 3.94Å; L1069-L1072 HydrophobicContact CG-CD1 4.31Å |
| 1073 | P | 39.5 | Very low | 43.9 | Very low | 84 Ų | 84 | 108.8 Ų | 108.8 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 125.9 | 156.7 | 31.3 | -29.8 | 0 | 0 | 0 | 108.2 | ||
| 1074 | N | 34.1 | Very low | 42.1 | Very low | 145 Ų | 145 | 109.9 Ų | 109.9 | 78% | 0.775 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 124.8 | 177.6 | -163.8 | 28.2 | 0 | 0 | 0 | 109.7 | ||
| 1075 | V | 37.6 | Very low | 40.7 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | trans | -124.6 | 113.7 | 173.5 | -177.9 | 0 | 0 | 0 | 0 | 106.3 | H964 | H964-V1075 PolarHBondContact CE1-O 3.42Å; H964-V1075 PolarHBondContact ND1-O 2.85Å; H964-V1075 PolarHBondContact NE2-O 3.12Å | ||
| 1076 | G | 31.3 | Very low | 39.5 | Very low | 55 Ų | 55 | 111.5 Ų | 111.5 | 57% | 0.567 | 65% | 0.65 | S | S | * | * | trans | -67.3 | 151.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1077 | P | 35.8 | Very low | 38.3 | Very low | 89 Ų | 89 | 110.3 Ų | 110.3 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | trans | -69.5 | 160.9 | 170.2 | 33.2 | -35.7 | 0 | 0 | 0 | 111.1 | D1079 | P1077-D1079 PolarHBondContact O-N 3.06Š| ||
| 1078 | P | 36.8 | Very low | 37.1 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | -75.8 | 106.8 | 164.6 | 30.9 | -30.6 | 0 | 0 | 0 | 109.7 | V1080 | P1078-V1080 PolarHBondContact O-N 3.17Š| ||
| 1079 | D | 33.9 | Very low | 36.3 | Very low | 141 Ų | 141 | 116.8 Ų | 116.8 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | -66.1 | 127.4 | 179.5 | -75.9 | -40 | 0 | 0 | 0 | 112.3 | P1077 | P1077-D1079 PolarHBondContact O-N 3.06Š| ||
| 1080 | V | 37.4 | Very low | 35.4 | Very low | 143 Ų | 143 | 120.8 Ų | 120.8 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | trans | -96.2 | 103.6 | 165.8 | 179.6 | 0 | 0 | 0 | 0 | 108 | P1078 | P1078-V1080 PolarHBondContact O-N 3.17Š| ||
| 1081 | T | 34.5 | Very low | 35.1 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | trans | -78 | 127.5 | -172.7 | 50 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1082 | T | 33.4 | Very low | 34.4 | Very low | 138 Ų | 138 | 118.9 Ų | 118.9 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | trans | -133.2 | 117.2 | 149.5 | 21.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1083 | T | 32.1 | Very low | 33.9 | Very low | 138 Ų | 138 | 120.7 Ų | 120.7 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -45.1 | 142 | 175.2 | 47.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 1084 | S | 32.4 | Very low | 33.6 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | -162 | 128.5 | 123.2 | -159.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1085 | M | 35 | Very low | 33.6 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | 38.9 | 120.1 | 147.4 | -62.2 | -62.5 | 161.8 | 0 | 0 | 122.6 | ||||
| 1086 | N | 32.8 | Very low | 33.6 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 59.8 | 137.6 | 137.2 | -53.8 | -28.7 | 0 | 0 | 0 | 120.4 | ||||
| 1087 | G | 32 | Very low | 33.9 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | 156.8 | 149.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1088 | R | 34.7 | Very low | 33.8 | Very low | 242 Ų | 242 | 132.7 Ų | 132.7 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | 52.3 | 107 | 170.3 | -69.5 | -178 | 175.7 | -173 | -1.4 | 117.5 | ||||
| 1089 | S | 32.4 | Very low | 33.6 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 90.8 | 127.1 | 71 | -70.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1090 | A | 32.2 | Very low | 33.5 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | 77.4 | 150.3 | 163 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1091 | P | 36.1 | Very low | 33.3 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -123.6 | 150.2 | -164 | 39.9 | -25 | 0 | 0 | 0 | 116 | ||||
| 1092 | S | 28.2 | Very low | 33.1 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -170.9 | 154.2 | 149.8 | 60.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1093 | S | 29.5 | Very low | 33.1 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 58% | 0.58 | 77% | 0.766 | S | S | * | * | trans | 81.9 | 143.9 | 139.3 | 79.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1094 | F | 33.3 | Very low | 33.1 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | 57.8 | 157.1 | 161.4 | -52.4 | -62.2 | 0 | 0 | 0 | 119 | ||||
| 1095 | A | 35 | Very low | 33 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | cis | -156.6 | 146.9 | -35.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1096 | K | 37.4 | Very low | 32.8 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | 51.7 | 144.6 | 66.5 | -96.7 | -166.3 | 174.2 | -176 | 0 | 113.5 | |||||
| 1097 | P | 37.1 | Very low | 32.8 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -152.5 | 177.3 | 37.5 | 45.3 | -26 | 0 | 0 | 0 | 119.8 | ||||
| 1098 | L | 32.7 | Very low | 32.6 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | 67 | 154.5 | 152 | -69.1 | 152.8 | 0 | 0 | 0 | 118.6 | ||||
| 1099 | K | 32.7 | Very low | 32.2 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 73% | 0.726 | 76% | 0.76 | S | S | * | * | cis | -143.2 | 127.4 | 10.6 | -147.8 | 146.9 | -175.5 | -179.3 | 0 | 109.5 | ||||
| 1100 | E | 31.9 | Very low | 32.2 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | 61.2 | 122 | 87.7 | -130.6 | 173.8 | -171.1 | 0 | 0 | 111.7 | |||||
| 1101 | L | 34.5 | Very low | 31.9 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | cis | -143 | 148.6 | 31.6 | -60.9 | 137.5 | 0 | 0 | 0 | 109.2 | ||||
| 1102 | A | 29.3 | Very low | 31.7 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 63.9 | 140.7 | 58.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1103 | P | 33.4 | Very low | 31.6 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | cis | -134.6 | -174.3 | -6.6 | 42.5 | -24.5 | 0 | 0 | 0 | 116 | ||||
| 1104 | Y | 31.8 | Very low | 31.8 | Very low | 227 Ų | 227 | 136.2 Ų | 136.2 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -67.8 | 158.4 | 163 | -83.5 | -94.9 | 0 | 0 | 0 | 112.1 | ||||
| 1105 | P | 31.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | -152.5 | 168.3 | 103.9 | 39.5 | -22.2 | 0 | 0 | 0 | 118.5 | |||||
| 1106 | S | 31.3 | Very low | 31.1 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 61.3 | 113.4 | 147.5 | 53.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1107 | V | 31.4 | Very low | 30.7 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -78 | 152.3 | 147.6 | -173.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1108 | P | 28.8 | Very low | 30.3 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | -136.2 | 157.7 | 127.3 | 37.2 | -27.5 | 0 | 0 | 0 | 114.4 | |||||
| 1109 | T | 26.7 | Very low | 30.5 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -108 | 117.8 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1110 | T | 31.8 | Very low | 30.4 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -152.5 | 125.4 | 163.9 | 23.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1111 | A | 26.4 | Very low | 30.5 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | cis | 78.9 | 138.8 | 40.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1112 | L | 31 | Very low | 30.2 | Very low | 163 Ų | 163 | 127 Ų | 127 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 72.6 | 130.9 | -171.5 | -51 | 171.7 | 0 | 0 | 0 | 112.8 | ||||
| 1113 | Q | 26.2 | Very low | 30.4 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | 83.1 | 152.4 | 56.2 | -87.7 | -151.6 | -26.5 | 0 | 0 | 114 | |||||
| 1114 | P | 33.1 | Very low | 30.2 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | -114.7 | -172.3 | -126.4 | 43.8 | -40.2 | 0 | 0 | 0 | 116.2 | |||||
| 1115 | S | 25.2 | Very low | 30.1 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | trans | 93.9 | 142.3 | 151.7 | 78.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1116 | M | 28.5 | Very low | 29.9 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 80% | 0.803 | 74% | 0.737 | S | S | * | * | trans | 64.5 | 146.8 | 162.9 | -67.5 | 172.2 | -76.8 | 0 | 0 | 116.4 | ||||
| 1117 | N | 30.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | cis | -132.8 | 145.3 | 3.7 | -108.8 | -6.5 | 0 | 0 | 0 | 109.3 | ||||
| 1118 | I | 29 | Very low | 29.4 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | 64 | 140.8 | 86.1 | -57.5 | -176.7 | 0 | 0 | 0 | 114 | |||||
| 1119 | H | 35.6 | Very low | 29.3 | Very low | 167 Ų | 167 | 128 Ų | 128 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | 87.5 | 133.8 | -176.3 | -53.6 | -63.6 | 0 | 0 | 0 | 115.2 | ||||
| 1120 | S | 31.7 | Very low | 29.3 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | cis | -163.4 | 157.1 | -7.4 | -112 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1121 | V | 33.3 | Very low | 29.2 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | trans | 15.6 | 126.2 | 159.3 | -79.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1122 | S | 28.9 | Very low | 29.5 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | 63 | 150.1 | 82.1 | 94.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1123 | S | 32.8 | Very low | 29.5 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | cis | -149.3 | 166.4 | 29.1 | -57.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1124 | S | 29.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | 35.1 | 129.5 | 79.9 | -139.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1125 | P | 30.5 | Very low | 30.1 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | cis | -126.7 | -178.3 | 47.8 | 15.8 | 10.4 | 0 | 0 | 0 | 112.9 | ||||
| 1126 | R | 26.2 | Very low | 30.4 | Very low | 213 Ų | 213 | 127.3 Ų | 127.3 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | cis | 87.1 | 100.2 | 21.8 | -154.4 | -167.1 | -177.6 | 166.6 | 3.8 | 116.4 | ||||
| 1127 | T | 24.8 | Very low | 30.5 | Very low | 107 Ų | 107 | 124 Ų | 124 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | trans | 67.2 | 160.8 | 148.8 | 55.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1128 | L | 26.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 124 Ų | 124 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | 78.9 | 143.7 | 164.8 | -50.1 | 135.1 | 0 | 0 | 0 | 114.3 | ||||
| 1129 | I | 26.2 | Very low | 30.7 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | cis | -163.4 | 174.1 | -11.7 | -120.2 | 174.9 | 0 | 0 | 0 | 107.6 | ||||
| 1130 | T | 28.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 123 Ų | 123 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | trans | 64.7 | 144.1 | 163.6 | 48.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1131 | D | 28.9 | Very low | 30.7 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | cis | -164.2 | 168.6 | -14.4 | -118 | 3.4 | 0 | 0 | 0 | 113 | ||||
| 1132 | V | 33.3 | Very low | 30.7 | Very low | 121 Ų | 121 | 122 Ų | 122 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | trans | 52.3 | 93.7 | 147.4 | 175.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1133 | A | 31.5 | Very low | 30.9 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | 99 | 165.8 | 92.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1134 | E | 34.7 | Very low | 30.8 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | cis | -151.9 | 154.5 | 15 | -154.7 | 143.2 | -123.2 | 0 | 0 | 110.3 | ||||
| 1135 | T | 36 | Very low | 30.7 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | 35.2 | 115.9 | 150.9 | 57.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1136 | D | 31.5 | Very low | 30.6 | Very low | 141 Ų | 141 | 122 Ų | 122 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | 123.1 | 159 | 70.2 | -99.4 | -35.6 | 0 | 0 | 0 | 108.2 | |||||
| 1137 | S | 31.4 | Very low | 30.7 | Very low | 92 Ų | 92 | 116.6 Ų | 116.6 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | cis | -161.9 | 167.6 | -19.4 | -127.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1138 | V | 32.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 117 Ų | 117 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | 55.1 | 101.3 | 146.9 | 178 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1139 | S | 31.3 | Very low | 30.9 | Very low | 89 Ų | 89 | 113.3 Ų | 113.3 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | 59.1 | 166.1 | 126.5 | 91.4 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1140 | E | 33.1 | Very low | 31 | Very low | 184 Ų | 184 | 112.2 Ų | 112.2 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | cis | -157.4 | 172.2 | -0.4 | -140.7 | 143.1 | -152.2 | 0 | 0 | 109.3 | ||||
| 1141 | G | 33.1 | Very low | 31.1 | Very low | 71 Ų | 71 | 114.5 Ų | 114.5 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | 97.1 | 95.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1142 | T | 33.9 | Very low | 31.1 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -54.1 | 162.6 | 137.1 | 47.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1143 | D | 32.7 | Very low | 30.8 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | -165.6 | -173.5 | -10.7 | -118.7 | -64.3 | 0 | 0 | 0 | 105.9 | ||||
| 1144 | T | 30.2 | Very low | 30.7 | Very low | 131 Ų | 131 | 117.3 Ų | 117.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | cis | -153.4 | 152.3 | 10.5 | -15.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1145 | G | 27.8 | Very low | 30.4 | Very low | 68 Ų | 68 | 116.4 Ų | 116.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | 94.1 | 142.5 | 141.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1146 | A | 28.6 | Very low | 30.2 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | 56.2 | 70.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | S1148 | A1146-S1148 PolarHBondContact O-N 2.85Å; A1146-S1148 PolarHBondContact O-OG 2.7Å | ||
| 1147 | A | 27.8 | Very low | 30 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -58.1 | 128.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1148 | S | 27.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | cis | 71.4 | 132.1 | 37.8 | -52.9 | 0 | 0 | 0 | 0 | 113.2 | A1146 | A1146-S1148 PolarHBondContact O-N 2.85Å; A1146-S1148 PolarHBondContact O-OG 2.7Å | ||
| 1149 | G | 29.6 | Very low | 29.9 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | 91.4 | 88.7 | -163.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1150 | S | 27.6 | Very low | 30 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | 57.7 | 112.2 | 52.7 | -134.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 1151 | I | 30.2 | Very low | 30 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | 48.7 | 91 | 57.6 | -51.5 | -179.6 | 0 | 0 | 0 | 110.5 | |||||
| 1152 | C | 28.1 | Very low | 30 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | -169 | 138.7 | 150.1 | -102.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 1153 | H | 28.1 | Very low | 29.8 | Very low | 158 Ų | 158 | 122.7 Ų | 122.7 | 73% | 0.731 | 75% | 0.745 | S | S | * | * | 31.7 | 146.8 | 105.2 | -69.3 | -83.6 | 0 | 0 | 0 | 119.1 | |||||
| 1154 | D | 28.5 | Very low | 29.9 | Very low | 134 Ų | 134 | 123 Ų | 123 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | cis | -148.1 | 175.5 | 14.8 | -135.9 | -10.4 | 0 | 0 | 0 | 115.5 | ||||
| 1155 | D | 28.2 | Very low | 30.2 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -65 | -179.4 | 172.5 | -89.6 | -54.9 | 0 | 0 | 0 | 114.6 | ||||
| 1156 | S | 32 | Very low | 30.7 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | 93.6 | 93.6 | 153.6 | -54 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1157 | L | 27.7 | Very low | 31.1 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | 36.9 | 99.7 | 101.9 | -171.7 | 81.5 | 0 | 0 | 0 | 117.9 | |||||
| 1158 | T | 32.7 | Very low | 31.6 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | 178.4 | 139.9 | 123.1 | 26.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1159 | K | 29.6 | Very low | 32.2 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | cis | 102.1 | 136 | 33 | -165.2 | -171.4 | -175.5 | -158.1 | 0 | 110.5 | ||||
| 1160 | Y | 33.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | trans | 69.5 | 149.8 | -172.4 | -44.8 | -68.9 | 0 | 0 | 0 | 113.4 | ||||
| 1161 | D | 32 | Very low | 32.6 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | cis | -155.4 | 162.1 | -26.5 | -94.1 | -24.6 | 0 | 0 | 0 | 104.6 | ||||
| 1162 | G | 33.3 | Very low | 32.8 | Very low | 57 Ų | 57 | 135.3 Ų | 135.3 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | cis | 146.6 | 147.1 | 7.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1163 | N | 29.5 | Very low | 33 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | 63.3 | 162.8 | 172.9 | -71.6 | 13.1 | 0 | 0 | 0 | 116.1 | ||||
| 1164 | E | 36.2 | Very low | 33.5 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | -154.1 | 146.6 | 2.6 | -127.5 | 150.2 | -121 | 0 | 0 | 108.5 | ||||
| 1165 | N | 35.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | trans | 63.6 | 159.1 | 142.5 | -66.8 | 24.2 | 0 | 0 | 0 | 120.8 | ||||
| 1166 | D | 37.1 | Very low | 34 | Very low | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | cis | -156.4 | 165.2 | -13.2 | -100.3 | -20.4 | 0 | 0 | 0 | 110.6 | ||||
| 1167 | D | 38.1 | Very low | 33.9 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 52.9 | 111.3 | 150.1 | -67 | -2.7 | 0 | 0 | 0 | 124.3 | ||||
| 1168 | D | 38.1 | Very low | 34 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | 39.7 | 113.3 | 118.9 | -71.1 | 2.1 | 0 | 0 | 0 | 122.2 | |||||
| 1169 | K | 39.1 | Very low | 33.9 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | -172.2 | 163.4 | 101.6 | -107.3 | 154.1 | -170.1 | 146.2 | 0 | 118.5 | |||||
| 1170 | E | 34 | Very low | 34.1 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -69.6 | 155.9 | -170.8 | -54.5 | 162 | 104.5 | 0 | 0 | 116 | ||||
| 1171 | G | 32 | Very low | 34 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | 115.8 | 88.5 | 125.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1172 | S | 34.2 | Very low | 34 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -170.4 | 133.9 | 134.1 | 46.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1173 | D | 33.7 | Very low | 34.5 | Very low | 169 Ų | 169 | 153 Ų | 153 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 138.8 | 176.9 | -75.3 | -67.4 | 0 | 0 | 0 | 113.2 | ||||
| 1174 | I | 37.9 | Very low | 35.7 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -136 | 109.9 | 161.9 | -57.6 | -176.6 | 0 | 0 | 0 | 110.3 | ||||
| 1175 | D | 31.1 | Very low | 37.1 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -70 | 150.7 | -176.5 | -162.3 | 61.2 | 0 | 0 | 0 | 112.9 | ||||
| 1176 | P | 36.6 | Very low | 38.7 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | trans | -114.5 | 117.1 | -138.7 | 37.8 | -31 | 0 | 0 | 0 | 114.8 | ||||
| 1177 | K | 29.7 | Very low | 40.7 | Very low | 205 Ų | 205 | 142 Ų | 142 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | trans | -157.7 | 7.9 | -175.5 | -119.3 | 155.9 | -165.3 | 156.1 | 0 | 121 | ||||
| 1178 | K | 28.6 | Very low | 42.5 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | trans | -136.1 | 1.2 | -162.6 | -140 | -179.8 | 177.1 | -174.3 | 0 | 119.3 | ||||
| 1179 | M | 31.6 | Very low | 44.5 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 87% | 0.867 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -140.7 | 135.6 | -179.5 | -61 | -179.7 | 84.7 | 0 | 0 | 109.7 | ||
| 1180 | Q | 34.4 | Very low | 46.5 | Very low | 188 Ų | 188 | 124.7 Ų | 124.7 | 88% | 0.879 | 65% | 0.647 | S | S | * | * | cis | -117.5 | 160.8 | -8.2 | -71.2 | 169.1 | -47.8 | 0 | 0 | 110.7 | ||||
| 1181 | K | 31.9 | Very low | 48.8 | Very low | 160 Ų | 160 | 119 Ų | 119 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | trans | -140.1 | 78.8 | -165.6 | -177 | -156.2 | 168.7 | -169.9 | 0 | 111.5 | M1183 | K1181-M1183 VanDerWaalsContact C-N 3.32Å; K1181-M1183 WeakPolarHBondContact CE-SD 3.14Å; K1181-M1183 HydrophobicContact CG-CB 4.3Å; K1181-M1183 PolarHBondContact O-N 2.82Å | ||
| 1182 | E | 32 | Very low | 50.9 | Low | 206 Ų | 206 | 117.9 Ų | 117.9 | 96% | 0.963 | 61% | 0.606 | S | S | * | * | trans | -78 | 87.6 | 164.7 | -67.8 | -158 | 145.3 | 0 | 0 | 109.8 | ||||
| 1183 | M | 42.4 | Very low | 52.9 | Low | 110 Ų | 110 | 113.1 Ų | 113.1 | 54% | 0.542 | 57% | 0.571 | S | S | . | * | trans | -88 | 109.4 | 175 | -176.1 | 177.9 | 83.6 | 0 | 0 | 108.3 | K1181 D1185 | K1181-M1183 VanDerWaalsContact C-N 3.32Å; K1181-M1183 WeakPolarHBondContact CE-SD 3.14Å; K1181-M1183 HydrophobicContact CG-CB 4.3Å; K1181-M1183 PolarHBondContact O-N 2.82Å; M1183-D1185 PolarHBondContact O-N 2.73Å | ||
| 1184 | E | 54.4 | Low | 55.1 | Low | 164 Ų | 164 | 110.7 Ų | 110.7 | 77% | 0.766 | 56% | 0.555 | S | S | * | * | trans | -47.3 | 115.8 | 156.3 | -79.1 | -175.4 | 124.3 | 0 | 0 | 106.8 | P1186 | E1184-P1186 VanDerWaalsContact O-CD 3.27Å; E1184-P1186 WeakPolarHBondContact O-CD 3.32Å | ||
| 1185 | D | 67.3 | Low | 56.8 | Low | 65 Ų | 65 | 107.3 Ų | 107.3 | 35% | 0.348 | 55% | 0.551 | S | S | . | * | trans | -57.9 | 115.1 | -179.3 | 164.9 | 24.9 | 0 | 0 | 0 | 108.3 | M1183 L1187 A1188 N1191 | M1183-D1185 PolarHBondContact O-N 2.73Å; D1185-L1187 PolarHBondContact O-N 3.39Å; D1185-L1187 PolarHBondContact OD1-N 3.22Å; D1185-A1188 HydrophobicContact CB-CB 4.06Å; D1185-A1188 VanDerWaalsContact O-CB 3.31Å; D1185-A1188 WeakPolarHBondContact O-CB 3.18Å; D1185-A1188 PolarHBondContact O-N 3.34Å; D1185-A1188 VanDerWaalsContact OD2-CA 3.31Å; D1185-A1188 WeakPolarHBondContact OD2-CA 3.39Å; D1185-A1188 PolarHBondContact OD2-N 2.83Å; D1185-A1188 VanDerWaalsContact OD2-N 3.11Å; D1185-N1191 PolarHBondContact OD2-ND2 2.84Å | ||
| 1186 | P | 68.5 | Low | 58.5 | Low | 27 Ų | 27 | 104.2 Ų | 104.2 | 18% | 0.175 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.4 | -176.5 | 28 | -35.4 | 0 | 0 | 0 | 112.2 | E1184 S1239 L1240 S1256 G1257 | E1184-P1186 VanDerWaalsContact O-CD 3.27Å; E1184-P1186 WeakPolarHBondContact O-CD 3.32Å; P1186-S1239 WeakPolarHBondContact CB-O 3.38Å; P1186-L1240 HydrophobicContact CB-CD2 3.86Å; P1186-L1240 HydrophobicContact CB-CG 4.2Å; P1186-L1240 VanDerWaalsContact O-CD2 3.26Å; P1186-L1240 WeakPolarHBondContact O-CD2 3.45Å; P1186-S1256 CarbonylContact O-C 3.5Å; P1186-S1256 WeakPolarHBondContact O-CB 2.95Å; P1186-S1256 PolarHBondContact O-OG 3.25Å; P1186-G1257 PolarHBondContact O-N 2.79Å |
| 1187 | L | 78.7 | Confident | 59.7 | Low | 45 Ų | 45 | 102.7 Ų | 102.7 | 24% | 0.236 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 3.5 | 176.6 | -56 | -178.1 | 0 | 0 | 0 | 113.6 | D1185 Q1189 L1190 N1191 K1241 S1256 | D1185-L1187 PolarHBondContact O-N 3.39Å; D1185-L1187 PolarHBondContact OD1-N 3.22Å; L1187-Q1189 VanDerWaalsContact C-N 3.3Å; L1187-Q1189 PolarHBondContact O-N 2.64Å; L1187-Q1189 VanDerWaalsContact O-N 3.09Å; L1187-L1190 HydrophobicContact CD2-CD2 4.38Å; L1187-L1190 CarbonylContact O-C 3.58Å; L1187-L1190 WeakPolarHBondContact O-CA 3.14Å; L1187-L1190 WeakPolarHBondContact O-CB 2.92Å; L1187-L1190 PolarHBondContact O-N 2.83Å; L1187-N1191 VanDerWaalsContact O-CG 3.29Å; L1187-N1191 PolarHBondContact O-N 3.1Å; L1187-N1191 PolarHBondContact O-ND2 2.96Å; L1187-K1241 HydrophobicContact CD2-CB 4.31Å; L1187-K1241 HydrophobicContact CD2-CD 3.87Å; L1187-K1241 HydrophobicContact CD2-CG 3.86Å; L1187-S1256 CarbonylContact C-O 3.53Å |
| 1188 | A | 77.5 | Confident | 61 | Low | 46 Ų | 46 | 97 Ų | 97 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -50.2 | -44 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1185 A1192 | D1185-A1188 HydrophobicContact CB-CB 4.06Å; D1185-A1188 VanDerWaalsContact O-CB 3.31Å; D1185-A1188 WeakPolarHBondContact O-CB 3.18Å; D1185-A1188 PolarHBondContact O-N 3.34Å; D1185-A1188 VanDerWaalsContact OD2-CA 3.31Å; D1185-A1188 WeakPolarHBondContact OD2-CA 3.39Å; D1185-A1188 PolarHBondContact OD2-N 2.83Å; D1185-A1188 VanDerWaalsContact OD2-N 3.11Å; A1188-A1192 VanDerWaalsContact O-CB 3.28Å; A1188-A1192 WeakPolarHBondContact O-CB 3.28Å; A1188-A1192 PolarHBondContact O-N 2.74Å |
| 1189 | Q | 79.4 | Confident | 62.7 | Low | 58 Ų | 58 | 89.8 Ų | 89.8 | 27% | 0.271 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.3 | -30.8 | -179.8 | -170.8 | 66 | 89 | 0 | 0 | 112.3 | L1187 V1193 Y1243 S1256 | L1187-Q1189 VanDerWaalsContact C-N 3.3Å; L1187-Q1189 PolarHBondContact O-N 2.64Å; L1187-Q1189 VanDerWaalsContact O-N 3.09Å; Q1189-V1193 VanDerWaalsContact O-CG2 3.27Å; Q1189-V1193 WeakPolarHBondContact O-CG2 3.25Å; Q1189-V1193 PolarHBondContact O-N 2.94Å; Q1189-V1193 VanDerWaalsContact O-N 3.15Å; Q1189-Y1243 HydrophobicContact CG-CE1 4.45Å; Q1189-Y1243 WeakPolarHBondContact CG-OH 3.36Å; Q1189-S1256 WeakPolarHBondContact CA-O 3.49Å; Q1189-S1256 WeakPolarHBondContact CB-O 3.31Å; Q1189-S1256 PolarHBondContact N-O 3.31Å |
| 1190 | L | 80.5 | Confident | 64.4 | Low | 6 Ų | 6 | 89 Ų | 89 | 3% | 0.031 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -71.6 | -47.5 | 174.2 | 176.2 | 60.5 | 0 | 0 | 0 | 110.6 | L1187 A1192 V1193 Q1194 V1204 Y1243 | L1187-L1190 HydrophobicContact CD2-CD2 4.38Å; L1187-L1190 CarbonylContact O-C 3.58Å; L1187-L1190 WeakPolarHBondContact O-CA 3.14Å; L1187-L1190 WeakPolarHBondContact O-CB 2.92Å; L1187-L1190 PolarHBondContact O-N 2.83Å; L1190-A1192 VanDerWaalsContact C-N 3.33Å; L1190-A1192 PolarHBondContact O-N 3.27Å; L1190-V1193 PolarHBondContact O-N 3.35Å; L1190-V1193 VanDerWaalsContact O-N 3.15Å; L1190-Q1194 HydrophobicContact CD1-CG 4.14Å; L1190-Q1194 WeakPolarHBondContact O-CG 3.25Å; L1190-Q1194 PolarHBondContact O-N 2.78Å; L1190-V1204 HydrophobicContact CD1-CG2 4.06Å; L1190-V1204 HydrophobicContact CD2-CG1 4Å; L1190-V1204 HydrophobicContact CD2-CG2 4.17Å; L1190-Y1243 HydrophobicContact CB-CD1 4.39Å; L1190-Y1243 HydrophobicContact CD1-CD1 4.16Å; L1190-Y1243 HydrophobicContact CD1-CD2 4.35Å; L1190-Y1243 HydrophobicContact CD1-CG 3.91Å |
| 1191 | N | 82.4 | Confident | 66.6 | Low | 69 Ų | 69 | 82 Ų | 82 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 176.2 | -65.8 | -18.7 | 0 | 0 | 0 | 110.5 | D1185 L1187 V1193 Q1194 A1195 | D1185-N1191 PolarHBondContact OD2-ND2 2.84Å; L1187-N1191 VanDerWaalsContact O-CG 3.29Å; L1187-N1191 PolarHBondContact O-N 3.1Å; L1187-N1191 PolarHBondContact O-ND2 2.96Å; N1191-V1193 PolarHBondContact O-N 2.69Å; N1191-Q1194 PolarHBondContact O-N 3.2Å; N1191-A1195 WeakPolarHBondContact O-CB 3.48Å; N1191-A1195 PolarHBondContact O-N 2.93Å |
| 1192 | A | 76.9 | Confident | 69.1 | Low | 51 Ų | 51 | 77 Ų | 77 | 42% | 0.421 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1188 L1190 S1196 | A1188-A1192 VanDerWaalsContact O-CB 3.28Å; A1188-A1192 WeakPolarHBondContact O-CB 3.28Å; A1188-A1192 PolarHBondContact O-N 2.74Å; L1190-A1192 VanDerWaalsContact C-N 3.33Å; L1190-A1192 PolarHBondContact O-N 3.27Å; A1192-S1196 WeakPolarHBondContact O-CB 3.45Å; A1192-S1196 PolarHBondContact O-N 3.3Å |
| 1193 | V | 76.2 | Confident | 71.6 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 11% | 0.109 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71 | -39.9 | 176.7 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | Q1189 L1190 N1191 S1196 G1197 E1199 V1201 Y1243 | Q1189-V1193 VanDerWaalsContact O-CG2 3.27Å; Q1189-V1193 WeakPolarHBondContact O-CG2 3.25Å; Q1189-V1193 PolarHBondContact O-N 2.94Å; Q1189-V1193 VanDerWaalsContact O-N 3.15Å; L1190-V1193 PolarHBondContact O-N 3.35Å; L1190-V1193 VanDerWaalsContact O-N 3.15Å; N1191-V1193 PolarHBondContact O-N 2.69Å; V1193-S1196 PolarHBondContact O-N 3.49Å; V1193-G1197 PolarHBondContact O-N 2.86Å; V1193-E1199 HydrophobicContact CG1-CB 4.19Å; V1193-V1201 HydrophobicContact CG1-CG2 3.66Å; V1193-Y1243 HydrophobicContact CB-CE2 4.47Å; V1193-Y1243 HydrophobicContact CG1-CE2 4.25Å; V1193-Y1243 HydrophobicContact CG2-CE2 4.27Å |
| 1194 | Q | 78.8 | Confident | 73.8 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 55% | 0.551 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.5 | -37.6 | 175.9 | -71.3 | -179.3 | -53.1 | 0 | 0 | 112 | L1190 N1191 | L1190-Q1194 HydrophobicContact CD1-CG 4.14Å; L1190-Q1194 WeakPolarHBondContact O-CG 3.25Å; L1190-Q1194 PolarHBondContact O-N 2.78Å; N1191-Q1194 PolarHBondContact O-N 3.2Å |
| 1195 | A | 74.2 | Confident | 75.5 | Confident | 90 Ų | 90 | 64 Ų | 64 | 74% | 0.744 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -71.1 | -32.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1191 G1197 | N1191-A1195 WeakPolarHBondContact O-CB 3.48Å; N1191-A1195 PolarHBondContact O-N 2.93Å; A1195-G1197 PolarHBondContact O-N 2.87Å |
| 1196 | S | 66.4 | Low | 76.7 | Confident | 84 Ų | 84 | 65 Ų | 65 | 59% | 0.587 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -75.9 | -18.7 | -175.3 | -179.7 | 0 | 0 | 0 | 0 | 114.6 | A1192 V1193 A1198 | A1192-S1196 WeakPolarHBondContact O-CB 3.45Å; A1192-S1196 PolarHBondContact O-N 3.3Å; V1193-S1196 PolarHBondContact O-N 3.49Å; S1196-A1198 PolarHBondContact O-N 3.43Å |
| 1197 | G | 62.2 | Low | 77.9 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | trans | 64.9 | -18.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | V1193 A1195 E1199 | V1193-G1197 PolarHBondContact O-N 2.86Å; A1195-G1197 PolarHBondContact O-N 2.87Å; G1197-E1199 PolarHBondContact O-N 3.3Å | ||
| 1198 | A | 56.9 | Low | 78.6 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 69% | 0.694 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -79.6 | -8.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1196 | S1196-A1198 PolarHBondContact O-N 3.43Š|
| 1199 | E | 64.3 | Low | 79.4 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -131.4 | 118.9 | 172.4 | -58.5 | -146.3 | 130.2 | 0 | 0 | 112 | V1193 G1197 V1201 T1245 R1247 | V1193-E1199 HydrophobicContact CG1-CB 4.19Å; G1197-E1199 PolarHBondContact O-N 3.3Å; E1199-V1201 PolarHBondContact O-N 2.98Å; E1199-V1201 VanDerWaalsContact O-N 3.11Å; E1199-T1245 HydrophobicContact CB-CG2 4.15Å; E1199-R1247 IonicContact OE1-CZ 3.01Å; E1199-R1247 IonicContact OE1-NE 2.68Å; E1199-R1247 PolarHBondContact OE1-NE 2.69Å; E1199-R1247 IonicContact OE1-NH2 3.76Å; E1199-R1247 PolarHBondContact OE1-NH2 3Å; E1199-R1247 IonicContact OE2-CZ 3.08Å; E1199-R1247 IonicContact OE2-NE 2.65Å; E1199-R1247 PolarHBondContact OE2-NE 3.15Å; E1199-R1247 IonicContact OE2-NH2 2.92Å; E1199-R1247 PolarHBondContact OE2-NH2 3.34Å |
| 1200 | E | 67.4 | Low | 80.1 | Confident | 160 Ų | 160 | 61.7 Ų | 61.7 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | trans | -61.3 | 113.4 | 171 | -67.6 | -177.6 | 163.9 | 0 | 0 | 111.1 | E1202 T1245 | E1200-E1202 PolarHBondContact O-N 3.09Å; E1200-T1245 WeakPolarHBondContact O-CA 3.29Å | ||
| 1201 | V | 81.2 | Confident | 80.7 | Confident | 42 Ų | 42 | 63 Ų | 63 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 100.3 | 170.3 | -179 | 0 | 0 | 0 | 0 | 108.5 | V1193 E1199 R1203 V1204 Y1243 I1244 T1245 | V1193-V1201 HydrophobicContact CG1-CG2 3.66Å; E1199-V1201 PolarHBondContact O-N 2.98Å; E1199-V1201 VanDerWaalsContact O-N 3.11Å; V1201-R1203 PolarHBondContact O-N 2.81Å; V1201-V1204 HydrophobicContact CG1-CG2 3.87Å; V1201-Y1243 HydrophobicContact CG1-CD2 4.28Å; V1201-Y1243 HydrophobicContact CG2-CD2 4.12Å; V1201-I1244 CarbonylContact C-O 3.46Å; V1201-I1244 WeakPolarHBondContact CA-O 3.35Å; V1201-T1245 HydrophobicContact CG2-CG2 4.22Å |
| 1202 | E | 82.7 | Confident | 81.1 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -39.8 | -177.1 | -173.1 | 179 | -178.6 | 0 | 0 | 112.1 | E1200 I1244 R1246 R1251 | E1200-E1202 PolarHBondContact O-N 3.09Å; E1202-I1244 HydrophobicContact CB-CG2 4.34Å; E1202-I1244 PolarHBondContact N-O 2.94Å; E1202-R1246 IonicContact OE1-CZ 2.76Å; E1202-R1246 IonicContact OE1-NE 3.97Å; E1202-R1246 PolarHBondContact OE1-NE 3.32Å; E1202-R1246 IonicContact OE1-NH2 3.24Å; E1202-R1246 PolarHBondContact OE1-NH2 3.44Å; E1202-R1246 WeakPolarHBondContact OE2-CG 3.26Å; E1202-R1246 IonicContact OE2-CZ 3.08Å; E1202-R1246 IonicContact OE2-NE 2.9Å; E1202-R1246 PolarHBondContact OE2-NE 3.16Å; E1202-R1246 IonicContact OE2-NH2 2.91Å; E1202-R1251 IonicContact OE1-CZ 2.63Å; E1202-R1251 IonicContact OE1-NE 3.63Å; E1202-R1251 PolarHBondContact OE1-NE 2.94Å; E1202-R1251 IonicContact OE1-NH2 2.69Å; E1202-R1251 PolarHBondContact OE1-NH2 3Å; E1202-R1251 WeakPolarHBondContact OE2-CG 3.37Å; E1202-R1251 IonicContact OE2-CZ 2.65Å; E1202-R1251 IonicContact OE2-NE 3.81Å; E1202-R1251 PolarHBondContact OE2-NE 3Å; E1202-R1251 IonicContact OE2-NH2 3.8Å |
| 1203 | R | 85.1 | Confident | 81.8 | Confident | 134 Ų | 134 | 63 Ų | 63 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 152.9 | 176.7 | -60.4 | -172.9 | -174 | -174.3 | -3 | 111.1 | V1201 Y1243 I1244 | V1201-R1203 PolarHBondContact O-N 2.81Å; R1203-Y1243 CarbonylContact O-C 3.5Å; R1203-Y1243 WeakPolarHBondContact O-CA 3.49Å; R1203-I1244 PolarHBondContact O-N 3.08Å |
| 1204 | V | 88.7 | Confident | 82.6 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 139.4 | 162.2 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | L1190 V1201 K1241 | L1190-V1204 HydrophobicContact CD1-CG2 4.06Å; L1190-V1204 HydrophobicContact CD2-CG1 4Å; L1190-V1204 HydrophobicContact CD2-CG2 4.17Å; V1201-V1204 HydrophobicContact CG1-CG2 3.87Å; V1204-K1241 HydrophobicContact CG1-CB 3.86Å; V1204-K1241 HydrophobicContact CG1-CD 3.72Å; V1204-K1241 HydrophobicContact CG1-CG 4.38Å |
| 1205 | I | 90.3 | Very high | 83.2 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 6% | 0.056 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.8 | -175.5 | -63.4 | 165.3 | 0 | 0 | 0 | 109 | V1242 I1244 M1266 L1294 N1299 | I1205-V1242 PolarHBondContact N-O 2.77Å; I1205-V1242 PolarHBondContact O-N 2.95Å; I1205-I1244 HydrophobicContact CD1-CD1 3.77Å; I1205-I1244 HydrophobicContact CD1-CG1 4.33Å; I1205-M1266 HydrophobicContact CB-CE 3.89Å; I1205-M1266 HydrophobicContact CD1-CE 3.46Å; I1205-M1266 VanDerWaalsContact CD1-CE 3.46Å; I1205-M1266 HydrophobicContact CG1-CE 4.27Å; I1205-M1266 HydrophobicContact CG2-CE 3.7Å; I1205-L1294 HydrophobicContact CG2-CD1 4.07Å; I1205-N1299 HydrophobicContact CG2-CB 3.83Å |
| 1206 | D | 91.7 | Very high | 83.9 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | trans | -76.5 | 159.8 | 175.5 | -66.7 | -36.9 | 0 | 0 | 0 | 112.1 | P1208 K1241 | D1206-P1208 WeakPolarHBondContact O-CD 3.27Å; D1206-K1241 WeakPolarHBondContact OD1-CD 3.48Å; D1206-K1241 WeakPolarHBondContact OD1-CE 3.38Å; D1206-K1241 VanDerWaalsContact OD1-CG 3.3Å; D1206-K1241 WeakPolarHBondContact OD1-CG 3.34Å; D1206-K1241 IonicContact OD1-NZ 2.8Å; D1206-K1241 PolarHBondContact OD1-NZ 2.98Å; D1206-K1241 IonicContact OD2-NZ 2.99Å | ||
| 1207 | L | 93.8 | Very high | 85 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -117.3 | 61 | -174.1 | -61.9 | -173.8 | 0 | 0 | 0 | 113.3 | Y1237 S1238 L1240 V1242 R1270 I1273 | L1207-Y1237 HydrophobicContact CB-CD1 4.3Å; L1207-Y1237 HydrophobicContact CB-CE1 3.75Å; L1207-Y1237 HydrophobicContact CB-CE2 4.43Å; L1207-Y1237 HydrophobicContact CD1-CD2 4.33Å; L1207-Y1237 HydrophobicContact CD1-CE2 3.83Å; L1207-Y1237 WeakPolarHBondContact O-CE1 3.44Å; L1207-S1238 WeakPolarHBondContact O-CA 3.19Å; L1207-S1238 WeakPolarHBondContact O-CB 3.12Å; L1207-L1240 WeakPolarHBondContact CB-O 3.1Å; L1207-L1240 VanDerWaalsContact CD1-O 3.28Å; L1207-L1240 WeakPolarHBondContact CD1-O 3.48Å; L1207-L1240 VanDerWaalsContact CG-O 3.25Å; L1207-L1240 WeakPolarHBondContact CG-O 3.44Å; L1207-V1242 HydrophobicContact CD1-CG2 4.14Å; L1207-V1242 HydrophobicContact CD2-CG2 4.04Å; L1207-V1242 HydrophobicContact CG-CG2 4.45Å; L1207-R1270 HydrophobicContact CD2-CG 4.06Å; L1207-I1273 HydrophobicContact CD1-CD1 3.57Å; L1207-I1273 HydrophobicContact CD1-CG2 4.28Å | ||
| 1208 | P | 93.4 | Very high | 86.2 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | trans | -64.8 | 156.1 | 175.9 | 30.2 | -36 | 0 | 0 | 0 | 112 | D1206 S1292 L1294 L1301 | D1206-P1208 WeakPolarHBondContact O-CD 3.27Å; P1208-S1292 WeakPolarHBondContact O-CB 3.27Å; P1208-L1294 HydrophobicContact CG-CD2 3.72Å; P1208-L1301 HydrophobicContact CB-CB 4.19Å; P1208-L1301 HydrophobicContact CB-CD2 4.42Å; P1208-L1301 HydrophobicContact CG-CB 3.95Å | ||
| 1209 | Y | 94.2 | Very high | 87.5 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | trans | -143.2 | 159.5 | 172.4 | 76.9 | -81.2 | 0 | 0 | 0 | 110.1 | L1214 E1231 M1234 C1291 | Y1209-L1214 HydrophobicContact CE2-CD2 4.4Å; Y1209-E1231 PolarHBondContact OH-O 2.74Å; Y1209-M1234 HydrophobicContact CD1-CB 3.98Å; Y1209-M1234 HydrophobicContact CD1-CE 4.22Å; Y1209-M1234 HydrophobicContact CD2-CB 3.83Å; Y1209-M1234 HydrophobicContact CD2-CE 4.07Å; Y1209-M1234 HydrophobicContact CD2-CG 4.32Å; Y1209-M1234 VanDerWaalsContact CE1-C 3.49Å; Y1209-M1234 HydrophobicContact CE1-CB 3.68Å; Y1209-M1234 WeakPolarHBondContact CE1-O 3.28Å; Y1209-M1234 HydrophobicContact CE2-CB 3.51Å; Y1209-M1234 HydrophobicContact CE2-CG 4.29Å; Y1209-M1234 HydrophobicContact CG-CB 4.07Å; Y1209-M1234 HydrophobicContact CG-CE 3.72Å; Y1209-M1234 VanDerWaalsContact CZ-CB 3.43Å; Y1209-C1291 WeakPolarHBondContact CA-O 3.44Å | ||
| 1210 | S | 94.7 | Very high | 88.1 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | trans | -102.4 | 118.4 | 173.2 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | A1213 L1214 C1291 N1304 | S1210-A1213 WeakPolarHBondContact OG-CB 3.45Å; S1210-A1213 PolarHBondContact OG-N 3.08Å; S1210-A1213 VanDerWaalsContact OG-N 3.07Å; S1210-L1214 WeakPolarHBondContact O-CB 3.21Å; S1210-L1214 PolarHBondContact O-N 3.42Å; S1210-C1291 PolarHBondContact N-O 2.91Å; S1210-N1304 WeakPolarHBondContact CB-OD1 3.49Å; S1210-N1304 VanDerWaalsContact OG-CG 3.25Å; S1210-N1304 PolarHBondContact OG-ND2 3.11Å; S1210-N1304 PolarHBondContact OG-OD1 3Å | ||
| 1211 | S | 92.3 | Very high | 88.9 | Confident | 33 Ų | 33 | 52 Ų | 52 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 112 | A1213 L1214 K1215 E1231 | S1211-A1213 PolarHBondContact O-N 3.42Å; S1211-L1214 WeakPolarHBondContact O-CB 3.49Å; S1211-L1214 PolarHBondContact O-N 3.35Å; S1211-K1215 VanDerWaalsContact O-CB 3.29Å; S1211-K1215 WeakPolarHBondContact O-CB 3.35Å; S1211-K1215 PolarHBondContact O-N 2.84Å; S1211-E1231 VanDerWaalsContact CB-OE1 3.28Å; S1211-E1231 WeakPolarHBondContact CB-OE1 3.46Å; S1211-E1231 PolarHBondContact OG-OE1 3.3Å |
| 1212 | E | 91 | Very high | 89.2 | Confident | 119 Ų | 119 | 50.9 Ų | 50.9 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.9 | -45.4 | 175.6 | -176.2 | -175 | -137.2 | 0 | 0 | 111.6 | K1215 T1216 N1304 | E1212-K1215 PolarHBondContact O-N 2.82Å; E1212-T1216 WeakPolarHBondContact O-CB 3.48Å; E1212-T1216 PolarHBondContact O-N 3.31Å; E1212-T1216 PolarHBondContact O-OG1 2.8Å; E1212-N1304 PolarHBondContact OE2-ND2 3.37Å |
| 1213 | A | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | S1210 S1211 T1216 L1217 C1291 L1307 | S1210-A1213 WeakPolarHBondContact OG-CB 3.45Å; S1210-A1213 PolarHBondContact OG-N 3.08Å; S1210-A1213 VanDerWaalsContact OG-N 3.07Å; S1211-A1213 PolarHBondContact O-N 3.42Å; A1213-T1216 PolarHBondContact O-N 3.43Å; A1213-L1217 VanDerWaalsContact O-CB 3.26Å; A1213-L1217 WeakPolarHBondContact O-CB 3.29Å; A1213-L1217 WeakPolarHBondContact O-CD1 3.46Å; A1213-L1217 WeakPolarHBondContact O-CG 3.44Å; A1213-L1217 PolarHBondContact O-N 3.43Å; A1213-C1291 HydrophobicContact CB-CB 4.21Å; A1213-L1307 HydrophobicContact CB-CB 4.17Å; A1213-L1307 HydrophobicContact CB-CD1 3.75Å |
| 1214 | L | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 174.8 | 179.8 | 66.9 | 0 | 0 | 0 | 111.6 | Y1209 S1210 S1211 T1216 L1217 V1218 F1227 L1230 M1234 A1287 C1291 | Y1209-L1214 HydrophobicContact CE2-CD2 4.4Å; S1210-L1214 WeakPolarHBondContact O-CB 3.21Å; S1210-L1214 PolarHBondContact O-N 3.42Å; S1211-L1214 WeakPolarHBondContact O-CB 3.49Å; S1211-L1214 PolarHBondContact O-N 3.35Å; L1214-T1216 PolarHBondContact O-N 3.49Å; L1214-L1217 PolarHBondContact O-N 2.94Å; L1214-V1218 HydrophobicContact CD1-CG1 4.2Å; L1214-V1218 WeakPolarHBondContact O-CG2 3.37Å; L1214-V1218 PolarHBondContact O-N 3.05Å; L1214-F1227 HydrophobicContact CD2-CE2 4.21Å; L1214-F1227 HydrophobicContact CD2-CZ 4.37Å; L1214-F1227 HydrophobicContact CG-CE2 4.08Å; L1214-L1230 HydrophobicContact CD1-CD2 4.19Å; L1214-L1230 HydrophobicContact CD2-CD2 4.5Å; L1214-L1230 HydrophobicContact CD2-CG 4.33Å; L1214-L1230 HydrophobicContact CG-CD2 4.47Å; L1214-M1234 HydrophobicContact CD2-CB 4.49Å; L1214-M1234 HydrophobicContact CD2-CG 3.79Å; L1214-A1287 HydrophobicContact CD1-CB 4.39Å; L1214-C1291 HydrophobicContact CB-CB 3.99Å |
| 1215 | K | 91 | Very high | 88.9 | Confident | 128 Ų | 128 | 54 Ų | 54 | 56% | 0.557 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.8 | -50.8 | 178.8 | -169.1 | 174.2 | -178.5 | 177.6 | 0 | 110.9 | S1211 E1212 L1217 V1218 Q1219 F1227 | S1211-K1215 VanDerWaalsContact O-CB 3.29Å; S1211-K1215 WeakPolarHBondContact O-CB 3.35Å; S1211-K1215 PolarHBondContact O-N 2.84Å; E1212-K1215 PolarHBondContact O-N 2.82Å; K1215-L1217 PolarHBondContact O-N 3.31Å; K1215-V1218 PolarHBondContact O-N 3.37Å; K1215-Q1219 WeakPolarHBondContact O-CB 3.47Å; K1215-Q1219 PolarHBondContact O-N 2.77Å; K1215-F1227 VanDerWaalsContact CA-CE2 3.44Å; K1215-F1227 HydrophobicContact CB-CE1 4.44Å; K1215-F1227 HydrophobicContact CB-CE2 3.75Å; K1215-F1227 HydrophobicContact CB-CZ 3.63Å; K1215-F1227 HydrophobicContact CD-CZ 4.49Å; K1215-F1227 HydrophobicContact CG-CE1 4.47Å; K1215-F1227 HydrophobicContact CG-CE2 4.13Å; K1215-F1227 HydrophobicContact CG-CZ 4.06Å |
| 1216 | T | 89.6 | Confident | 88.9 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 177.2 | -52 | 0 | 0 | 0 | 0 | 112.2 | E1212 A1213 L1214 V1218 L1308 M1326 | E1212-T1216 WeakPolarHBondContact O-CB 3.48Å; E1212-T1216 PolarHBondContact O-N 3.31Å; E1212-T1216 PolarHBondContact O-OG1 2.8Å; A1213-T1216 PolarHBondContact O-N 3.43Å; L1214-T1216 PolarHBondContact O-N 3.49Å; T1216-V1218 VanDerWaalsContact C-N 3.34Å; T1216-V1218 PolarHBondContact O-N 2.93Å; T1216-L1308 HydrophobicContact CG2-CD1 4.04Å; T1216-L1308 HydrophobicContact CG2-CD2 3.78Å; T1216-M1326 HydrophobicContact CG2-CE 3.83Å; T1216-M1326 HydrophobicContact CG2-SD 3.67Å |
| 1217 | L | 88.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.5 | -22.6 | 178.3 | -72.7 | 171 | 0 | 0 | 0 | 114.1 | A1213 L1214 K1215 Y1221 A1287 H1290 C1291 L1308 A1311 I1320 L1323 | A1213-L1217 VanDerWaalsContact O-CB 3.26Å; A1213-L1217 WeakPolarHBondContact O-CB 3.29Å; A1213-L1217 WeakPolarHBondContact O-CD1 3.46Å; A1213-L1217 WeakPolarHBondContact O-CG 3.44Å; A1213-L1217 PolarHBondContact O-N 3.43Å; L1214-L1217 PolarHBondContact O-N 2.94Å; K1215-L1217 PolarHBondContact O-N 3.31Å; L1217-Y1221 WeakPolarHBondContact O-CE1 3.19Å; L1217-A1287 HydrophobicContact CB-CB 3.9Å; L1217-H1290 HydrophobicContact CD1-CB 3.83Å; L1217-C1291 HydrophobicContact CD1-CB 4.07Å; L1217-L1308 HydrophobicContact CD2-CD2 3.82Å; L1217-L1308 HydrophobicContact CG-CD2 3.79Å; L1217-A1311 HydrophobicContact CD2-CB 3.42Å; L1217-A1311 VanDerWaalsContact CD2-CB 3.42Å; L1217-I1320 HydrophobicContact CD2-CD1 4.49Å; L1217-L1323 HydrophobicContact CD2-CD1 3.58Å; L1217-L1323 HydrophobicContact CD2-CD2 4.2Å; L1217-L1323 HydrophobicContact CD2-CG 4.5Å |
| 1218 | V | 89.1 | Confident | 88.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -109 | -1.3 | 179.1 | -51.1 | 0 | 0 | 0 | 0 | 114.4 | L1214 K1215 T1216 Y1221 C1222 F1227 L1230 Y1284 A1287 | L1214-V1218 HydrophobicContact CD1-CG1 4.2Å; L1214-V1218 WeakPolarHBondContact O-CG2 3.37Å; L1214-V1218 PolarHBondContact O-N 3.05Å; K1215-V1218 PolarHBondContact O-N 3.37Å; T1216-V1218 VanDerWaalsContact C-N 3.34Å; T1216-V1218 PolarHBondContact O-N 2.93Å; V1218-Y1221 HydrophobicContact CB-CE1 4.3Å; V1218-Y1221 WeakPolarHBondContact O-CD1 3.45Å; V1218-Y1221 PolarHBondContact O-N 3.07Å; V1218-C1222 HydrophobicContact CB-CB 3.84Å; V1218-C1222 HydrophobicContact CG2-CB 3.58Å; V1218-C1222 WeakPolarHBondContact O-CB 3.48Å; V1218-C1222 PolarHBondContact O-N 2.66Å; V1218-F1227 HydrophobicContact CG2-CD2 3.82Å; V1218-F1227 HydrophobicContact CG2-CE2 4.02Å; V1218-L1230 HydrophobicContact CG1-CD2 4.08Å; V1218-L1230 HydrophobicContact CG2-CD2 4.32Å; V1218-Y1284 HydrophobicContact CB-CD1 4.43Å; V1218-Y1284 HydrophobicContact CG1-CD1 4.02Å; V1218-A1287 HydrophobicContact CG1-CB 3.47Å; V1218-A1287 VanDerWaalsContact CG1-CB 3.47Å |
| 1219 | Q | 83.8 | Confident | 88.6 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 141 | 175.3 | -167.6 | 164.8 | -12 | 0 | 0 | 110.5 | K1215 Y1221 | K1215-Q1219 WeakPolarHBondContact O-CB 3.47Å; K1215-Q1219 PolarHBondContact O-N 2.77Å; Q1219-Y1221 VanDerWaalsContact C-N 3.28Å; Q1219-Y1221 PolarHBondContact O-N 3.27Å |
| 1220 | G | 76.3 | Confident | 88.5 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 85% | 0.845 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -6.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1221 | Y | 85.4 | Confident | 88.4 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 29% | 0.286 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.3 | -3.2 | 174.5 | 80.6 | -81.3 | 0 | 0 | 0 | 116.7 | L1217 V1218 Q1219 Y1284 P1322 | L1217-Y1221 WeakPolarHBondContact O-CE1 3.19Å; V1218-Y1221 HydrophobicContact CB-CE1 4.3Å; V1218-Y1221 WeakPolarHBondContact O-CD1 3.45Å; V1218-Y1221 PolarHBondContact O-N 3.07Å; Q1219-Y1221 VanDerWaalsContact C-N 3.28Å; Q1219-Y1221 PolarHBondContact O-N 3.27Å; Y1221-Y1284 HydrophobicContact CD2-CD1 4.43Å; Y1221-Y1284 AromaticContact CD2-CE1 3.87Å; Y1221-Y1284 HydrophobicContact CD2-CE1 3.87Å; Y1221-Y1284 AromaticContact CE2-CD1 3.7Å; Y1221-Y1284 HydrophobicContact CE2-CD1 3.7Å; Y1221-Y1284 AromaticContact CE2-CE1 3.6Å; Y1221-Y1284 HydrophobicContact CE2-CE1 3.6Å; Y1221-Y1284 PolarHBondContact O-OH 3.35Å; Y1221-P1322 HydrophobicContact CD1-CG 3.61Å; Y1221-P1322 HydrophobicContact CE1-CG 3.75Å |
| 1222 | C | 86.1 | Confident | 88.5 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -89.2 | 125 | 157.6 | -160 | 0 | 0 | 0 | 0 | 109.2 | V1218 Y1284 | V1218-C1222 HydrophobicContact CB-CB 3.84Å; V1218-C1222 HydrophobicContact CG2-CB 3.58Å; V1218-C1222 WeakPolarHBondContact O-CB 3.48Å; V1218-C1222 PolarHBondContact O-N 2.66Å; C1222-Y1284 HydrophobicContact CB-CE1 3.93Å |
| 1223 | P | 84.6 | Confident | 88.6 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | trans | -56.7 | 137 | 166.3 | -21.7 | 33 | 0 | 0 | 0 | 109.3 | N1225 Y1226 F1227 | P1223-N1225 PolarHBondContact O-N 3.43Å; P1223-Y1226 PolarHBondContact O-N 3.04Å; P1223-F1227 PolarHBondContact O-N 2.96Å | ||
| 1224 | P | 80.3 | Confident | 88.7 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 68% | 0.675 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -55.5 | -41.3 | -177.4 | 19.1 | -30 | 0 | 0 | 0 | 111.6 | Y1226 F1227 P1228 | P1224-Y1226 PolarHBondContact O-N 3.47Å; P1224-Y1226 VanDerWaalsContact O-N 3.09Å; P1224-F1227 PolarHBondContact O-N 3.4Å; P1224-P1228 WeakPolarHBondContact O-CD 3.42Å |
| 1225 | N | 85.2 | Confident | 88.7 | Confident | 148 Ų | 148 | 57.8 Ų | 57.8 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -62.1 | -16.8 | 177.4 | -50.5 | 21.9 | 0 | 0 | 0 | 113.7 | P1223 | P1223-N1225 PolarHBondContact O-N 3.43Š|
| 1226 | Y | 89.7 | Confident | 88.8 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -97.8 | -13.4 | 175.9 | -160.7 | -95 | 0 | 0 | 0 | 113.1 | P1223 P1224 V1229 L1230 K1233 P1281 Y1284 | P1223-Y1226 PolarHBondContact O-N 3.04Å; P1224-Y1226 PolarHBondContact O-N 3.47Å; P1224-Y1226 VanDerWaalsContact O-N 3.09Å; Y1226-V1229 HydrophobicContact CD2-CB 4.27Å; Y1226-V1229 HydrophobicContact CD2-CG1 4.46Å; Y1226-V1229 HydrophobicContact CE2-CB 4.19Å; Y1226-V1229 HydrophobicContact CE2-CG1 3.9Å; Y1226-V1229 PolarHBondContact O-N 3.42Å; Y1226-L1230 HydrophobicContact CD1-CB 4.41Å; Y1226-L1230 HydrophobicContact CE1-CB 4.42Å; Y1226-L1230 PolarHBondContact O-N 3.28Å; Y1226-K1233 PolarHBondContact OH-NZ 3.43Å; Y1226-P1281 HydrophobicContact CE1-CG 4.15Å; Y1226-P1281 WeakPolarHBondContact OH-CG 3.28Å; Y1226-Y1284 HydrophobicContact CD1-CD2 4.46Å; Y1226-Y1284 AromaticContact CD1-CE2 3.68Å; Y1226-Y1284 HydrophobicContact CD1-CE2 3.68Å; Y1226-Y1284 HydrophobicContact CE1-CD2 4.13Å; Y1226-Y1284 AromaticContact CE1-CE2 3.67Å; Y1226-Y1284 HydrophobicContact CE1-CE2 3.67Å |
| 1227 | F | 91.9 | Very high | 89 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | -179.4 | -174.8 | -93.1 | 0 | 0 | 0 | 113 | L1214 K1215 V1218 P1223 P1224 V1229 L1230 E1231 | L1214-F1227 HydrophobicContact CD2-CE2 4.21Å; L1214-F1227 HydrophobicContact CD2-CZ 4.37Å; L1214-F1227 HydrophobicContact CG-CE2 4.08Å; K1215-F1227 VanDerWaalsContact CA-CE2 3.44Å; K1215-F1227 HydrophobicContact CB-CE1 4.44Å; K1215-F1227 HydrophobicContact CB-CE2 3.75Å; K1215-F1227 HydrophobicContact CB-CZ 3.63Å; K1215-F1227 HydrophobicContact CD-CZ 4.49Å; K1215-F1227 HydrophobicContact CG-CE1 4.47Å; K1215-F1227 HydrophobicContact CG-CE2 4.13Å; K1215-F1227 HydrophobicContact CG-CZ 4.06Å; V1218-F1227 HydrophobicContact CG2-CD2 3.82Å; V1218-F1227 HydrophobicContact CG2-CE2 4.02Å; P1223-F1227 PolarHBondContact O-N 2.96Å; P1224-F1227 PolarHBondContact O-N 3.4Å; F1227-V1229 VanDerWaalsContact C-N 3.25Å; F1227-V1229 PolarHBondContact O-N 3.28Å; F1227-L1230 WeakPolarHBondContact O-CA 3.35Å; F1227-L1230 WeakPolarHBondContact O-CB 3.19Å; F1227-L1230 PolarHBondContact O-N 2.76Å; F1227-E1231 HydrophobicContact CE1-CB 4.28Å; F1227-E1231 WeakPolarHBondContact CE1-OE2 3.31Å; F1227-E1231 WeakPolarHBondContact O-CB 3.41Å; F1227-E1231 PolarHBondContact O-N 2.83Å |
| 1228 | P | 91.3 | Very high | 89.3 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 49% | 0.494 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -33.7 | 175.6 | -24.5 | 35.3 | 0 | 0 | 0 | 113.2 | P1224 L1230 E1231 A1232 | P1224-P1228 WeakPolarHBondContact O-CD 3.42Å; P1228-L1230 VanDerWaalsContact C-N 3.34Å; P1228-E1231 PolarHBondContact O-N 3.41Å; P1228-A1232 WeakPolarHBondContact O-CB 3.46Å; P1228-A1232 PolarHBondContact O-N 3.38Å |
| 1229 | V | 90.2 | Very high | 89.4 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.2 | -32 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | Y1226 F1227 K1233 | Y1226-V1229 HydrophobicContact CD2-CB 4.27Å; Y1226-V1229 HydrophobicContact CD2-CG1 4.46Å; Y1226-V1229 HydrophobicContact CE2-CB 4.19Å; Y1226-V1229 HydrophobicContact CE2-CG1 3.9Å; Y1226-V1229 PolarHBondContact O-N 3.42Å; F1227-V1229 VanDerWaalsContact C-N 3.25Å; F1227-V1229 PolarHBondContact O-N 3.28Å; V1229-K1233 VanDerWaalsContact O-CG 3.27Å; V1229-K1233 WeakPolarHBondContact O-CG 3.26Å; V1229-K1233 PolarHBondContact O-N 2.94Å |
| 1230 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75 | -38.8 | 173.8 | -175.1 | 62.5 | 0 | 0 | 0 | 111.6 | L1214 V1218 Y1226 F1227 P1228 K1233 M1234 V1280 Y1284 | L1214-L1230 HydrophobicContact CD1-CD2 4.19Å; L1214-L1230 HydrophobicContact CD2-CD2 4.5Å; L1214-L1230 HydrophobicContact CD2-CG 4.33Å; L1214-L1230 HydrophobicContact CG-CD2 4.47Å; V1218-L1230 HydrophobicContact CG1-CD2 4.08Å; V1218-L1230 HydrophobicContact CG2-CD2 4.32Å; Y1226-L1230 HydrophobicContact CD1-CB 4.41Å; Y1226-L1230 HydrophobicContact CE1-CB 4.42Å; Y1226-L1230 PolarHBondContact O-N 3.28Å; F1227-L1230 WeakPolarHBondContact O-CA 3.35Å; F1227-L1230 WeakPolarHBondContact O-CB 3.19Å; F1227-L1230 PolarHBondContact O-N 2.76Å; P1228-L1230 VanDerWaalsContact C-N 3.34Å; L1230-K1233 PolarHBondContact O-N 2.98Å; L1230-M1234 WeakPolarHBondContact O-CG 3.5Å; L1230-M1234 PolarHBondContact O-N 3.27Å; L1230-V1280 HydrophobicContact CD1-CG1 3.96Å; L1230-Y1284 HydrophobicContact CD1-CD2 3.98Å; L1230-Y1284 HydrophobicContact CD1-CG 4.15Å; L1230-Y1284 HydrophobicContact CD2-CD1 4.24Å; L1230-Y1284 HydrophobicContact CD2-CD2 4.11Å; L1230-Y1284 HydrophobicContact CD2-CG 3.87Å |
| 1231 | E | 93.4 | Very high | 90.5 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -47.1 | 176.5 | -174 | 164.9 | -141.9 | 0 | 0 | 111.8 | Y1209 S1211 F1227 P1228 K1233 M1234 G1235 | Y1209-E1231 PolarHBondContact OH-O 2.74Å; S1211-E1231 VanDerWaalsContact CB-OE1 3.28Å; S1211-E1231 WeakPolarHBondContact CB-OE1 3.46Å; S1211-E1231 PolarHBondContact OG-OE1 3.3Å; F1227-E1231 HydrophobicContact CE1-CB 4.28Å; F1227-E1231 WeakPolarHBondContact CE1-OE2 3.31Å; F1227-E1231 WeakPolarHBondContact O-CB 3.41Å; F1227-E1231 PolarHBondContact O-N 2.83Å; P1228-E1231 PolarHBondContact O-N 3.41Å; E1231-K1233 VanDerWaalsContact C-N 3.26Å; E1231-K1233 PolarHBondContact O-N 2.87Å; E1231-M1234 CarbonylContact O-C 3.52Å; E1231-M1234 WeakPolarHBondContact O-CA 3.28Å; E1231-M1234 WeakPolarHBondContact O-CB 3.25Å; E1231-M1234 PolarHBondContact O-N 3.05Å; E1231-G1235 PolarHBondContact O-N 2.9Å |
| 1232 | A | 92.6 | Very high | 90.9 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 54% | 0.537 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.8 | -38.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1228 G1235 V1236 | P1228-A1232 WeakPolarHBondContact O-CB 3.46Å; P1228-A1232 PolarHBondContact O-N 3.38Å; A1232-G1235 WeakPolarHBondContact O-CA 3.31Å; A1232-G1235 PolarHBondContact O-N 3.22Å; A1232-V1236 PolarHBondContact O-N 3.33Å |
| 1233 | K | 93.6 | Very high | 91.1 | Very high | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.3 | -34.8 | 173.3 | -75.1 | 177.3 | 176.2 | -168.4 | 0 | 113 | Y1226 V1229 L1230 E1231 G1235 V1236 Y1237 A1278 K1279 V1280 | Y1226-K1233 PolarHBondContact OH-NZ 3.43Å; V1229-K1233 VanDerWaalsContact O-CG 3.27Å; V1229-K1233 WeakPolarHBondContact O-CG 3.26Å; V1229-K1233 PolarHBondContact O-N 2.94Å; L1230-K1233 PolarHBondContact O-N 2.98Å; E1231-K1233 VanDerWaalsContact C-N 3.26Å; E1231-K1233 PolarHBondContact O-N 2.87Å; K1233-G1235 VanDerWaalsContact C-N 3.3Å; K1233-V1236 PolarHBondContact O-N 2.81Å; K1233-Y1237 PolarHBondContact O-N 2.74Å; K1233-A1278 WeakPolarHBondContact CB-O 3.33Å; K1233-A1278 WeakPolarHBondContact CD-O 3.38Å; K1233-A1278 VanDerWaalsContact CG-O 3.28Å; K1233-A1278 WeakPolarHBondContact CG-O 3.39Å; K1233-A1278 WeakPolarHBondContact O-CB 3.46Å; K1233-K1279 PolarHBondContact NZ-O 2.86Å; K1233-V1280 HydrophobicContact CB-CG2 4.21Å |
| 1234 | M | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.3 | -28.4 | 172 | -69.2 | -59.1 | -59.9 | 0 | 0 | 112.1 | Y1209 L1214 L1230 E1231 Y1237 S1238 L1274 V1280 A1288 | Y1209-M1234 HydrophobicContact CD1-CB 3.98Å; Y1209-M1234 HydrophobicContact CD1-CE 4.22Å; Y1209-M1234 HydrophobicContact CD2-CB 3.83Å; Y1209-M1234 HydrophobicContact CD2-CE 4.07Å; Y1209-M1234 HydrophobicContact CD2-CG 4.32Å; Y1209-M1234 VanDerWaalsContact CE1-C 3.49Å; Y1209-M1234 HydrophobicContact CE1-CB 3.68Å; Y1209-M1234 WeakPolarHBondContact CE1-O 3.28Å; Y1209-M1234 HydrophobicContact CE2-CB 3.51Å; Y1209-M1234 HydrophobicContact CE2-CG 4.29Å; Y1209-M1234 HydrophobicContact CG-CB 4.07Å; Y1209-M1234 HydrophobicContact CG-CE 3.72Å; Y1209-M1234 VanDerWaalsContact CZ-CB 3.43Å; L1214-M1234 HydrophobicContact CD2-CB 4.49Å; L1214-M1234 HydrophobicContact CD2-CG 3.79Å; L1230-M1234 WeakPolarHBondContact O-CG 3.5Å; L1230-M1234 PolarHBondContact O-N 3.27Å; E1231-M1234 CarbonylContact O-C 3.52Å; E1231-M1234 WeakPolarHBondContact O-CA 3.28Å; E1231-M1234 WeakPolarHBondContact O-CB 3.25Å; E1231-M1234 PolarHBondContact O-N 3.05Å; M1234-Y1237 HydrophobicContact CE-CD1 3.55Å; M1234-Y1237 HydrophobicContact CE-CE1 4.05Å; M1234-Y1237 HydrophobicContact CE-CG 4.06Å; M1234-Y1237 WeakPolarHBondContact O-CB 3.49Å; M1234-Y1237 PolarHBondContact O-N 3.06Å; M1234-Y1237 VanDerWaalsContact O-N 3.17Å; M1234-S1238 PolarHBondContact O-N 2.78Å; M1234-S1238 PolarHBondContact O-OG 3.42Å; M1234-S1238 VanDerWaalsContact O-OG 3.12Å; M1234-L1274 HydrophobicContact CE-CD2 4.18Å; M1234-L1274 HydrophobicContact SD-CD2 3.66Å; M1234-V1280 HydrophobicContact SD-CG2 4.33Å; M1234-A1288 HydrophobicContact CE-CB 4.29Å; M1234-A1288 HydrophobicContact SD-CB 3.66Å |
| 1235 | G | 93.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -54.6 | -50.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1231 A1232 K1233 Y1237 S1238 S1239 | E1231-G1235 PolarHBondContact O-N 2.9Å; A1232-G1235 WeakPolarHBondContact O-CA 3.31Å; A1232-G1235 PolarHBondContact O-N 3.22Å; K1233-G1235 VanDerWaalsContact C-N 3.3Å; G1235-Y1237 VanDerWaalsContact C-N 3.26Å; G1235-Y1237 PolarHBondContact O-N 2.88Å; G1235-S1238 WeakPolarHBondContact CA-OG 3.11Å; G1235-S1238 PolarHBondContact O-N 3.05Å; G1235-S1238 VanDerWaalsContact O-N 3.08Å; G1235-S1238 PolarHBondContact O-OG 3.17Å; G1235-S1239 PolarHBondContact O-N 3.5Å |
| 1236 | V | 92 | Very high | 91.7 | Very high | 67 Ų | 67 | 39.7 Ų | 39.7 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.1 | -28.5 | 175.3 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | A1232 K1233 S1239 A1278 | A1232-V1236 PolarHBondContact O-N 3.33Å; K1233-V1236 PolarHBondContact O-N 2.81Å; V1236-S1239 WeakPolarHBondContact CA-OG 3.08Å; V1236-S1239 PolarHBondContact O-OG 3.34Å; V1236-A1278 HydrophobicContact CB-CB 4.46Å; V1236-A1278 HydrophobicContact CG1-CB 4.46Å |
| 1237 | Y | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.2 | -41.3 | 170.9 | 167 | -93.7 | 0 | 0 | 0 | 111.8 | L1207 K1233 M1234 G1235 L1240 R1270 I1273 L1274 S1292 | L1207-Y1237 HydrophobicContact CB-CD1 4.3Å; L1207-Y1237 HydrophobicContact CB-CE1 3.75Å; L1207-Y1237 HydrophobicContact CB-CE2 4.43Å; L1207-Y1237 HydrophobicContact CD1-CD2 4.33Å; L1207-Y1237 HydrophobicContact CD1-CE2 3.83Å; L1207-Y1237 WeakPolarHBondContact O-CE1 3.44Å; K1233-Y1237 PolarHBondContact O-N 2.74Å; M1234-Y1237 HydrophobicContact CE-CD1 3.55Å; M1234-Y1237 HydrophobicContact CE-CE1 4.05Å; M1234-Y1237 HydrophobicContact CE-CG 4.06Å; M1234-Y1237 WeakPolarHBondContact O-CB 3.49Å; M1234-Y1237 PolarHBondContact O-N 3.06Å; M1234-Y1237 VanDerWaalsContact O-N 3.17Å; G1235-Y1237 VanDerWaalsContact C-N 3.26Å; G1235-Y1237 PolarHBondContact O-N 2.88Å; Y1237-L1240 PolarHBondContact O-N 2.92Å; Y1237-R1270 HydrophobicContact CE2-CB 4.4Å; Y1237-R1270 HydrophobicContact CE2-CG 4.33Å; Y1237-R1270 WeakPolarHBondContact OH-CD 3.27Å; Y1237-R1270 WeakPolarHBondContact OH-CG 3.29Å; Y1237-I1273 HydrophobicContact CD2-CB 4.35Å; Y1237-I1273 HydrophobicContact CD2-CG2 3.72Å; Y1237-I1273 HydrophobicContact CE2-CG2 4.27Å; Y1237-L1274 HydrophobicContact CD1-CD2 4.49Å; Y1237-L1274 HydrophobicContact CD2-CD2 3.34Å; Y1237-L1274 HydrophobicContact CD2-CG 3.6Å; Y1237-L1274 HydrophobicContact CE2-CD1 4.41Å; Y1237-L1274 HydrophobicContact CE2-CD2 3.88Å; Y1237-L1274 HydrophobicContact CE2-CG 3.77Å; Y1237-L1274 HydrophobicContact CG-CD2 3.71Å; Y1237-L1274 HydrophobicContact CG-CG 4.45Å; Y1237-S1292 PolarHBondContact OH-OG 3.02Å |
| 1238 | S | 93.5 | Very high | 90.6 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -76.7 | -20.1 | 179.5 | 49.3 | 0 | 0 | 0 | 0 | 115.3 | L1207 M1234 G1235 L1240 | L1207-S1238 WeakPolarHBondContact O-CA 3.19Å; L1207-S1238 WeakPolarHBondContact O-CB 3.12Å; M1234-S1238 PolarHBondContact O-N 2.78Å; M1234-S1238 PolarHBondContact O-OG 3.42Å; M1234-S1238 VanDerWaalsContact O-OG 3.12Å; G1235-S1238 WeakPolarHBondContact CA-OG 3.11Å; G1235-S1238 PolarHBondContact O-N 3.05Å; G1235-S1238 VanDerWaalsContact O-N 3.08Å; G1235-S1238 PolarHBondContact O-OG 3.17Å; S1238-L1240 PolarHBondContact O-N 2.88Å |
| 1239 | S | 91.9 | Very high | 89.9 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 42% | 0.42 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.2 | 172.2 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | P1186 G1235 V1236 | P1186-S1239 WeakPolarHBondContact CB-O 3.38Å; G1235-S1239 PolarHBondContact O-N 3.5Å; V1236-S1239 WeakPolarHBondContact CA-OG 3.08Å; V1236-S1239 PolarHBondContact O-OG 3.34Å |
| 1240 | L | 91.7 | Very high | 89.5 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | trans | -101.6 | 141.2 | 178.3 | -77.1 | 157.9 | 0 | 0 | 0 | 110.9 | P1186 L1207 Y1237 S1238 I1273 H1277 | P1186-L1240 HydrophobicContact CB-CD2 3.86Å; P1186-L1240 HydrophobicContact CB-CG 4.2Å; P1186-L1240 VanDerWaalsContact O-CD2 3.26Å; P1186-L1240 WeakPolarHBondContact O-CD2 3.45Å; L1207-L1240 WeakPolarHBondContact CB-O 3.1Å; L1207-L1240 VanDerWaalsContact CD1-O 3.28Å; L1207-L1240 WeakPolarHBondContact CD1-O 3.48Å; L1207-L1240 VanDerWaalsContact CG-O 3.25Å; L1207-L1240 WeakPolarHBondContact CG-O 3.44Å; Y1237-L1240 PolarHBondContact O-N 2.92Å; S1238-L1240 PolarHBondContact O-N 2.88Å; L1240-I1273 HydrophobicContact CB-CG2 4.1Å; L1240-I1273 HydrophobicContact CD1-CG2 3.78Å; L1240-H1277 HydrophobicContact CD1-CB 3.34Å | ||
| 1241 | K | 92.2 | Very high | 89.3 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -106.7 | 157.7 | 175.6 | -54.7 | -172.7 | -178.1 | -120.4 | 0 | 111.4 | L1187 V1204 D1206 S1256 | L1187-K1241 HydrophobicContact CD2-CB 4.31Å; L1187-K1241 HydrophobicContact CD2-CD 3.87Å; L1187-K1241 HydrophobicContact CD2-CG 3.86Å; V1204-K1241 HydrophobicContact CG1-CB 3.86Å; V1204-K1241 HydrophobicContact CG1-CD 3.72Å; V1204-K1241 HydrophobicContact CG1-CG 4.38Å; D1206-K1241 WeakPolarHBondContact OD1-CD 3.48Å; D1206-K1241 WeakPolarHBondContact OD1-CE 3.38Å; D1206-K1241 VanDerWaalsContact OD1-CG 3.3Å; D1206-K1241 WeakPolarHBondContact OD1-CG 3.34Å; D1206-K1241 IonicContact OD1-NZ 2.8Å; D1206-K1241 PolarHBondContact OD1-NZ 2.98Å; D1206-K1241 IonicContact OD2-NZ 2.99Å; K1241-S1256 WeakPolarHBondContact CA-OG 3.47Å; K1241-S1256 PolarHBondContact N-OG 3.41Å; K1241-S1256 VanDerWaalsContact O-CB 3.31Å; K1241-S1256 WeakPolarHBondContact O-CB 3.4Å; K1241-S1256 PolarHBondContact O-N 3.17Å; K1241-S1256 VanDerWaalsContact O-N 3.12Å; K1241-S1256 PolarHBondContact O-OG 2.84Å | ||
| 1242 | V | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123 | 167.6 | 170 | 0 | 0 | 0 | 0 | 108.7 | I1205 L1207 F1253 C1254 M1266 I1269 I1273 | I1205-V1242 PolarHBondContact N-O 2.77Å; I1205-V1242 PolarHBondContact O-N 2.95Å; L1207-V1242 HydrophobicContact CD1-CG2 4.14Å; L1207-V1242 HydrophobicContact CD2-CG2 4.04Å; L1207-V1242 HydrophobicContact CG-CG2 4.45Å; V1242-F1253 HydrophobicContact CG1-CB 4.1Å; V1242-F1253 HydrophobicContact CG1-CD1 4.19Å; V1242-C1254 WeakPolarHBondContact CA-O 3.28Å; V1242-M1266 HydrophobicContact CB-CE 3.87Å; V1242-M1266 HydrophobicContact CB-SD 4.07Å; V1242-M1266 HydrophobicContact CG1-CE 3.62Å; V1242-M1266 HydrophobicContact CG1-SD 3.89Å; V1242-M1266 HydrophobicContact CG2-CE 4.45Å; V1242-M1266 HydrophobicContact CG2-SD 4Å; V1242-I1269 HydrophobicContact CB-CG2 4.44Å; V1242-I1269 HydrophobicContact CG1-CG2 3.83Å; V1242-I1269 HydrophobicContact CG2-CG1 4.23Å; V1242-I1269 HydrophobicContact CG2-CG2 3.68Å; V1242-I1273 HydrophobicContact CG2-CD1 3.71Å |
| 1243 | Y | 91.3 | Very high | 89.1 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 151.5 | 173.9 | 70.2 | -82.3 | 0 | 0 | 0 | 111 | Q1189 L1190 V1193 V1201 R1203 T1245 C1254 C1255 | Q1189-Y1243 HydrophobicContact CG-CE1 4.45Å; Q1189-Y1243 WeakPolarHBondContact CG-OH 3.36Å; L1190-Y1243 HydrophobicContact CB-CD1 4.39Å; L1190-Y1243 HydrophobicContact CD1-CD1 4.16Å; L1190-Y1243 HydrophobicContact CD1-CD2 4.35Å; L1190-Y1243 HydrophobicContact CD1-CG 3.91Å; V1193-Y1243 HydrophobicContact CB-CE2 4.47Å; V1193-Y1243 HydrophobicContact CG1-CE2 4.25Å; V1193-Y1243 HydrophobicContact CG2-CE2 4.27Å; V1201-Y1243 HydrophobicContact CG1-CD2 4.28Å; V1201-Y1243 HydrophobicContact CG2-CD2 4.12Å; R1203-Y1243 CarbonylContact O-C 3.5Å; R1203-Y1243 WeakPolarHBondContact O-CA 3.49Å; Y1243-T1245 HydrophobicContact CD2-CG2 3.77Å; Y1243-T1245 HydrophobicContact CE2-CG2 3.66Å; Y1243-C1254 HydrophobicContact CD1-CB 3.8Å; Y1243-C1254 HydrophobicContact CD2-CB 3.98Å; Y1243-C1254 HydrophobicContact CE1-CB 3.43Å; Y1243-C1254 VanDerWaalsContact CE1-CB 3.43Å; Y1243-C1254 HydrophobicContact CE2-CB 3.63Å; Y1243-C1254 HydrophobicContact CG-CB 4.05Å; Y1243-C1254 PolarHBondContact N-O 3.34Å; Y1243-C1254 VanDerWaalsContact N-O 3.08Å; Y1243-C1254 PolarHBondContact O-N 3.28Å; Y1243-C1255 WeakPolarHBondContact CE1-O 3.13Å |
| 1244 | I | 90.6 | Very high | 89 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.1 | 179.3 | -58.6 | 179.9 | 0 | 0 | 0 | 108.4 | V1201 E1202 R1203 I1205 R1251 Y1252 F1253 | V1201-I1244 CarbonylContact C-O 3.46Å; V1201-I1244 WeakPolarHBondContact CA-O 3.35Å; E1202-I1244 HydrophobicContact CB-CG2 4.34Å; E1202-I1244 PolarHBondContact N-O 2.94Å; R1203-I1244 PolarHBondContact O-N 3.08Å; I1205-I1244 HydrophobicContact CD1-CD1 3.77Å; I1205-I1244 HydrophobicContact CD1-CG1 4.33Å; I1244-R1251 HydrophobicContact CG2-CB 3.94Å; I1244-R1251 HydrophobicContact CG2-CG 3.9Å; I1244-Y1252 VanDerWaalsContact CA-O 3.3Å; I1244-Y1252 WeakPolarHBondContact CA-O 3.17Å; I1244-F1253 HydrophobicContact CD1-CD1 3.97Å; I1244-F1253 HydrophobicContact CD1-CE1 3.53Å; I1244-F1253 HydrophobicContact CD1-CZ 4.11Å; I1244-F1253 HydrophobicContact CG1-CD1 3.85Å; I1244-F1253 HydrophobicContact CG1-CE1 3.96Å; I1244-F1253 HydrophobicContact CG1-CG 4.5Å |
| 1245 | T | 88.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 156.1 | 167.1 | 62.7 | 0 | 0 | 0 | 0 | 111 | E1199 E1200 V1201 Y1243 R1251 Y1252 | E1199-T1245 HydrophobicContact CB-CG2 4.15Å; E1200-T1245 WeakPolarHBondContact O-CA 3.29Å; V1201-T1245 HydrophobicContact CG2-CG2 4.22Å; Y1243-T1245 HydrophobicContact CD2-CG2 3.77Å; Y1243-T1245 HydrophobicContact CE2-CG2 3.66Å; T1245-R1251 WeakPolarHBondContact O-CA 3.34Å; T1245-Y1252 PolarHBondContact N-O 2.88Å; T1245-Y1252 VanDerWaalsContact N-O 3.09Å; T1245-Y1252 PolarHBondContact O-N 3.48Å |
| 1246 | R | 83.6 | Confident | 88.9 | Confident | 130 Ų | 130 | 58.3 Ų | 58.3 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.3 | 171.1 | -71.8 | -170.8 | 177.4 | -166.5 | 9.9 | 110.2 | E1202 R1250 R1251 | E1202-R1246 IonicContact OE1-CZ 2.76Å; E1202-R1246 IonicContact OE1-NE 3.97Å; E1202-R1246 PolarHBondContact OE1-NE 3.32Å; E1202-R1246 IonicContact OE1-NH2 3.24Å; E1202-R1246 PolarHBondContact OE1-NH2 3.44Å; E1202-R1246 WeakPolarHBondContact OE2-CG 3.26Å; E1202-R1246 IonicContact OE2-CZ 3.08Å; E1202-R1246 IonicContact OE2-NE 2.9Å; E1202-R1246 PolarHBondContact OE2-NE 3.16Å; E1202-R1246 IonicContact OE2-NH2 2.91Å; R1246-R1250 WeakPolarHBondContact CA-O 3.4Å; R1246-R1251 HydrophobicContact CG-CG 4.32Å |
| 1247 | R | 78.5 | Confident | 88.6 | Confident | 103 Ų | 103 | 56 Ų | 56 | 39% | 0.389 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.8 | 170.2 | -57.7 | 177.8 | 179.1 | -175.8 | -2.2 | 108.9 | E1199 G1249 R1250 Y1252 | E1199-R1247 IonicContact OE1-CZ 3.01Å; E1199-R1247 IonicContact OE1-NE 2.68Å; E1199-R1247 PolarHBondContact OE1-NE 2.69Å; E1199-R1247 IonicContact OE1-NH2 3.76Å; E1199-R1247 PolarHBondContact OE1-NH2 3Å; E1199-R1247 IonicContact OE2-CZ 3.08Å; E1199-R1247 IonicContact OE2-NE 2.65Å; E1199-R1247 PolarHBondContact OE2-NE 3.15Å; E1199-R1247 IonicContact OE2-NH2 2.92Å; E1199-R1247 PolarHBondContact OE2-NH2 3.34Å; R1247-G1249 VanDerWaalsContact C-N 3.34Å; R1247-G1249 PolarHBondContact O-N 3.08Å; R1247-R1250 PolarHBondContact N-O 3.32Å; R1247-R1250 PolarHBondContact O-N 3.24Å; R1247-R1250 VanDerWaalsContact O-N 3.07Å; R1247-Y1252 HydrophobicContact CB-CD2 3.94Å; R1247-Y1252 HydrophobicContact CB-CE2 3.67Å; R1247-Y1252 HydrophobicContact CG-CD2 4.17Å; R1247-Y1252 HydrophobicContact CG-CE2 4.34Å |
| 1248 | R | 79.6 | Confident | 88.3 | Confident | 258 Ų | 258 | 57.6 Ų | 57.6 | 97% | 0.974 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 50.8 | -179.7 | -57.2 | -178.5 | -178.1 | 177.2 | -0.2 | 112.8 | R1250 | R1248-R1250 PolarHBondContact O-N 3.42Å; R1248-R1250 VanDerWaalsContact O-N 3.15Å |
| 1249 | G | 77.8 | Confident | 88 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 75% | 0.753 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -0.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1247 | R1247-G1249 VanDerWaalsContact C-N 3.34Å; R1247-G1249 PolarHBondContact O-N 3.08Å |
| 1250 | R | 81.9 | Confident | 87.9 | Confident | 180 Ų | 180 | 57.8 Ų | 57.8 | 68% | 0.679 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.4 | 177.4 | -63.7 | -178.3 | -179.6 | 178.1 | 0.9 | 110.8 | R1246 R1247 R1248 Y1252 | R1246-R1250 WeakPolarHBondContact CA-O 3.4Å; R1247-R1250 PolarHBondContact N-O 3.32Å; R1247-R1250 PolarHBondContact O-N 3.24Å; R1247-R1250 VanDerWaalsContact O-N 3.07Å; R1248-R1250 PolarHBondContact O-N 3.42Å; R1248-R1250 VanDerWaalsContact O-N 3.15Å; R1250-Y1252 HydrophobicContact CB-CE2 3.97Å; R1250-Y1252 WeakPolarHBondContact O-CD2 3.3Å |
| 1251 | R | 87.3 | Confident | 87.8 | Confident | 118 Ų | 118 | 60 Ų | 60 | 45% | 0.445 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 133.4 | 172.4 | -74.7 | 178.6 | 174 | 151.8 | -4.6 | 110.8 | E1202 I1244 T1245 R1246 | E1202-R1251 IonicContact OE1-CZ 2.63Å; E1202-R1251 IonicContact OE1-NE 3.63Å; E1202-R1251 PolarHBondContact OE1-NE 2.94Å; E1202-R1251 IonicContact OE1-NH2 2.69Å; E1202-R1251 PolarHBondContact OE1-NH2 3Å; E1202-R1251 WeakPolarHBondContact OE2-CG 3.37Å; E1202-R1251 IonicContact OE2-CZ 2.65Å; E1202-R1251 IonicContact OE2-NE 3.81Å; E1202-R1251 PolarHBondContact OE2-NE 3Å; E1202-R1251 IonicContact OE2-NH2 3.8Å; I1244-R1251 HydrophobicContact CG2-CB 3.94Å; I1244-R1251 HydrophobicContact CG2-CG 3.9Å; T1245-R1251 WeakPolarHBondContact O-CA 3.34Å; R1246-R1251 HydrophobicContact CG-CG 4.32Å |
| 1252 | Y | 89.4 | Confident | 87.7 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132 | 172.4 | -71.7 | -104.2 | 0 | 0 | 0 | 108.8 | I1244 T1245 R1247 R1250 P1263 | I1244-Y1252 VanDerWaalsContact CA-O 3.3Å; I1244-Y1252 WeakPolarHBondContact CA-O 3.17Å; T1245-Y1252 PolarHBondContact N-O 2.88Å; T1245-Y1252 VanDerWaalsContact N-O 3.09Å; T1245-Y1252 PolarHBondContact O-N 3.48Å; R1247-Y1252 HydrophobicContact CB-CD2 3.94Å; R1247-Y1252 HydrophobicContact CB-CE2 3.67Å; R1247-Y1252 HydrophobicContact CG-CD2 4.17Å; R1247-Y1252 HydrophobicContact CG-CE2 4.34Å; R1250-Y1252 HydrophobicContact CB-CE2 3.97Å; R1250-Y1252 WeakPolarHBondContact O-CD2 3.3Å; Y1252-P1263 HydrophobicContact CD1-CB 4.07Å; Y1252-P1263 HydrophobicContact CD1-CG 4.49Å; Y1252-P1263 HydrophobicContact CE1-CB 3.83Å; Y1252-P1263 HydrophobicContact CE1-CG 4.13Å |
| 1253 | F | 91.9 | Very high | 87.4 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 17% | 0.167 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.4 | 176.6 | -64.6 | -102.1 | 0 | 0 | 0 | 108.9 | V1242 I1244 S1261 S1262 M1266 I1269 | V1242-F1253 HydrophobicContact CG1-CB 4.1Å; V1242-F1253 HydrophobicContact CG1-CD1 4.19Å; I1244-F1253 HydrophobicContact CD1-CD1 3.97Å; I1244-F1253 HydrophobicContact CD1-CE1 3.53Å; I1244-F1253 HydrophobicContact CD1-CZ 4.11Å; I1244-F1253 HydrophobicContact CG1-CD1 3.85Å; I1244-F1253 HydrophobicContact CG1-CE1 3.96Å; I1244-F1253 HydrophobicContact CG1-CG 4.5Å; F1253-S1261 CarbonylContact O-C 3.27Å; F1253-S1261 VanDerWaalsContact O-CA 3.31Å; F1253-S1261 WeakPolarHBondContact O-CA 3.44Å; F1253-S1262 PolarHBondContact N-O 3.48Å; F1253-S1262 PolarHBondContact O-N 3.11Å; F1253-M1266 HydrophobicContact CD1-CB 3.92Å; F1253-M1266 HydrophobicContact CD1-CE 4.02Å; F1253-M1266 HydrophobicContact CD1-SD 4.49Å; F1253-M1266 HydrophobicContact CE1-CB 3.85Å; F1253-M1266 HydrophobicContact CE1-CE 4.27Å; F1253-I1269 HydrophobicContact CB-CB 4.37Å; F1253-I1269 HydrophobicContact CB-CG2 4.01Å |
| 1254 | C | 91.7 | Very high | 87 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 147.5 | -167.7 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | V1242 Y1243 S1260 S1261 | V1242-C1254 WeakPolarHBondContact CA-O 3.28Å; Y1243-C1254 HydrophobicContact CD1-CB 3.8Å; Y1243-C1254 HydrophobicContact CD2-CB 3.98Å; Y1243-C1254 HydrophobicContact CE1-CB 3.43Å; Y1243-C1254 VanDerWaalsContact CE1-CB 3.43Å; Y1243-C1254 HydrophobicContact CE2-CB 3.63Å; Y1243-C1254 HydrophobicContact CG-CB 4.05Å; Y1243-C1254 PolarHBondContact N-O 3.34Å; Y1243-C1254 VanDerWaalsContact N-O 3.08Å; Y1243-C1254 PolarHBondContact O-N 3.28Å; C1254-S1260 WeakPolarHBondContact CA-O 3.3Å; C1254-S1261 WeakPolarHBondContact SG-CB 3.4Å |
| 1255 | C | 93.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 130.2 | 175.6 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | Y1243 G1257 S1260 I1269 H1277 | Y1243-C1255 WeakPolarHBondContact CE1-O 3.13Å; C1255-G1257 VanDerWaalsContact C-N 3.25Å; C1255-G1257 PolarHBondContact O-N 2.89Å; C1255-G1257 PolarHBondContact SG-N 3.35Å; C1255-S1260 PolarHBondContact N-O 3.37Å; C1255-I1269 HydrophobicContact CB-CD1 4.05Å; C1255-I1269 HydrophobicContact CB-CG1 4.44Å; C1255-H1277 PolarHBondContact SG-NE2 3.1Å; C1255-H1277 VanDerWaalsContact SG-NE2 3.43Å |
| 1256 | S | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -25.8 | 173.6 | 47 | 0 | 0 | 0 | 0 | 114.2 | P1186 L1187 Q1189 K1241 | P1186-S1256 CarbonylContact O-C 3.5Å; P1186-S1256 WeakPolarHBondContact O-CB 2.95Å; P1186-S1256 PolarHBondContact O-OG 3.25Å; L1187-S1256 CarbonylContact C-O 3.53Å; Q1189-S1256 WeakPolarHBondContact CA-O 3.49Å; Q1189-S1256 WeakPolarHBondContact CB-O 3.31Å; Q1189-S1256 PolarHBondContact N-O 3.31Å; K1241-S1256 WeakPolarHBondContact CA-OG 3.47Å; K1241-S1256 PolarHBondContact N-OG 3.41Å; K1241-S1256 VanDerWaalsContact O-CB 3.31Å; K1241-S1256 WeakPolarHBondContact O-CB 3.4Å; K1241-S1256 PolarHBondContact O-N 3.17Å; K1241-S1256 VanDerWaalsContact O-N 3.12Å; K1241-S1256 PolarHBondContact O-OG 2.84Å |
| 1257 | G | 85.8 | Confident | 86.8 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -5.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.9 | P1186 C1255 H1277 | P1186-G1257 PolarHBondContact O-N 2.79Å; C1255-G1257 VanDerWaalsContact C-N 3.25Å; C1255-G1257 PolarHBondContact O-N 2.89Å; C1255-G1257 PolarHBondContact SG-N 3.35Å; G1257-H1277 PolarHBondContact O-CE1 2.94Å |
| 1258 | C | 88.6 | Confident | 87.3 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 164.6 | 170.1 | 71.5 | 0 | 0 | 0 | 0 | 113.2 | S1260 H1272 H1277 | C1258-S1260 PolarHBondContact O-N 2.85Å; C1258-S1260 PolarHBondContact SG-OG 3.03Å; C1258-H1272 PolarHBondContact SG-NE2 2.81Å; C1258-H1277 PolarHBondContact SG-NE2 3.05Å; C1258-H1277 VanDerWaalsContact SG-NE2 3.41Å |
| 1259 | S | 87.9 | Confident | 87.9 | Confident | 87 Ų | 87 | 48 Ų | 48 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 18.9 | 179.3 | 59 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1260 | S | 89.6 | Confident | 88.7 | Confident | 27 Ų | 27 | 46 Ų | 46 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 126.8 | 174.9 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | C1254 C1255 C1258 I1269 H1272 | C1254-S1260 WeakPolarHBondContact CA-O 3.3Å; C1255-S1260 PolarHBondContact N-O 3.37Å; C1258-S1260 PolarHBondContact O-N 2.85Å; C1258-S1260 PolarHBondContact SG-OG 3.03Å; S1260-I1269 WeakPolarHBondContact O-CD1 3.43Å; S1260-H1272 WeakPolarHBondContact CB-NE2 3.43Å; S1260-H1272 PolarHBondContact OG-CE1 2.82Å; S1260-H1272 PolarHBondContact OG-NE2 2.86Å |
| 1261 | S | 90.1 | Very high | 89.1 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 154.5 | 175.5 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | F1253 C1254 | F1253-S1261 CarbonylContact O-C 3.27Å; F1253-S1261 VanDerWaalsContact O-CA 3.31Å; F1253-S1261 WeakPolarHBondContact O-CA 3.44Å; C1254-S1261 WeakPolarHBondContact SG-CB 3.4Å |
| 1262 | S | 89.8 | Confident | 89.4 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 123.1 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | F1253 H1264 | F1253-S1262 PolarHBondContact N-O 3.48Å; F1253-S1262 PolarHBondContact O-N 3.11Å; S1262-H1264 PolarHBondContact OG-N 3.17Å; S1262-H1264 VanDerWaalsContact OG-N 3.1Å |
| 1263 | P | 86.8 | Confident | 89.6 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 43% | 0.429 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.8 | 167.1 | 34.8 | -35.2 | 0 | 0 | 0 | 112.7 | Y1252 | Y1252-P1263 HydrophobicContact CD1-CB 4.07Å; Y1252-P1263 HydrophobicContact CD1-CG 4.49Å; Y1252-P1263 HydrophobicContact CE1-CB 3.83Å; Y1252-P1263 HydrophobicContact CE1-CG 4.13Å |
| 1264 | H | 81.5 | Confident | 89.8 | Confident | 113 Ų | 113 | 34.7 Ų | 34.7 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -4.2 | -178.4 | -58.9 | -53 | 0 | 0 | 0 | 113.5 | K1010 S1262 D1268 | K1010-H1264 PolarHBondContact NZ-CE1 3Å; K1010-H1264 PolarHBondContact NZ-NE2 2.65Å; S1262-H1264 PolarHBondContact OG-N 3.17Å; S1262-H1264 VanDerWaalsContact OG-N 3.1Å; H1264-D1268 WeakPolarHBondContact CB-OD2 3.3Å |
| 1265 | G | 83.6 | Confident | 89.8 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | trans | 111.8 | 169.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1267 D1268 | G1265-G1267 PolarHBondContact O-N 2.85Å; G1265-D1268 PolarHBondContact O-N 2.78Å | ||
| 1266 | M | 86 | Confident | 89.7 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 11% | 0.108 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -49.9 | -22.5 | 178.7 | -177.3 | 58 | 86 | 0 | 0 | 114.8 | I1205 V1242 F1253 I1269 R1270 | I1205-M1266 HydrophobicContact CB-CE 3.89Å; I1205-M1266 HydrophobicContact CD1-CE 3.46Å; I1205-M1266 VanDerWaalsContact CD1-CE 3.46Å; I1205-M1266 HydrophobicContact CG1-CE 4.27Å; I1205-M1266 HydrophobicContact CG2-CE 3.7Å; V1242-M1266 HydrophobicContact CB-CE 3.87Å; V1242-M1266 HydrophobicContact CB-SD 4.07Å; V1242-M1266 HydrophobicContact CG1-CE 3.62Å; V1242-M1266 HydrophobicContact CG1-SD 3.89Å; V1242-M1266 HydrophobicContact CG2-CE 4.45Å; V1242-M1266 HydrophobicContact CG2-SD 4Å; F1253-M1266 HydrophobicContact CD1-CB 3.92Å; F1253-M1266 HydrophobicContact CD1-CE 4.02Å; F1253-M1266 HydrophobicContact CD1-SD 4.49Å; F1253-M1266 HydrophobicContact CE1-CB 3.85Å; F1253-M1266 HydrophobicContact CE1-CE 4.27Å; M1266-I1269 HydrophobicContact SD-CG2 3.92Å; M1266-R1270 WeakPolarHBondContact O-CB 3.33Å; M1266-R1270 WeakPolarHBondContact O-CG 3.46Å; M1266-R1270 PolarHBondContact O-N 2.67Å; M1266-R1270 PolarHBondContact O-NE 3.22Å; M1266-R1270 VanDerWaalsContact O-NE 3.1Å; M1266-R1270 HydrophobicContact SD-CG 4Å |
| 1267 | G | 88.7 | Confident | 89.7 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -33.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | G1265 K1271 | G1265-G1267 PolarHBondContact O-N 2.85Å; G1267-K1271 WeakPolarHBondContact O-CE 3.35Å; G1267-K1271 VanDerWaalsContact O-CG 3.31Å; G1267-K1271 WeakPolarHBondContact O-CG 3.33Å |
| 1268 | D | 89.9 | Confident | 90 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -91.3 | -35.6 | -175.5 | -74.4 | -15.9 | 0 | 0 | 0 | 112.7 | H1264 G1265 R1270 K1271 H1272 | H1264-D1268 WeakPolarHBondContact CB-OD2 3.3Å; G1265-D1268 PolarHBondContact O-N 2.78Å; D1268-R1270 VanDerWaalsContact C-N 3.33Å; D1268-R1270 PolarHBondContact O-N 2.81Å; D1268-K1271 PolarHBondContact O-N 2.62Å; D1268-K1271 IonicContact OD1-NZ 3.58Å; D1268-K1271 PolarHBondContact OD1-NZ 3.12Å; D1268-H1272 PolarHBondContact O-N 2.83Å |
| 1269 | I | 92.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 174.6 | -160.9 | 65.4 | 0 | 0 | 0 | 111.4 | V1242 F1253 C1255 S1260 M1266 H1272 I1273 | V1242-I1269 HydrophobicContact CB-CG2 4.44Å; V1242-I1269 HydrophobicContact CG1-CG2 3.83Å; V1242-I1269 HydrophobicContact CG2-CG1 4.23Å; V1242-I1269 HydrophobicContact CG2-CG2 3.68Å; F1253-I1269 HydrophobicContact CB-CB 4.37Å; F1253-I1269 HydrophobicContact CB-CG2 4.01Å; C1255-I1269 HydrophobicContact CB-CD1 4.05Å; C1255-I1269 HydrophobicContact CB-CG1 4.44Å; S1260-I1269 WeakPolarHBondContact O-CD1 3.43Å; M1266-I1269 HydrophobicContact SD-CG2 3.92Å; I1269-H1272 WeakPolarHBondContact O-CB 3.49Å; I1269-H1272 PolarHBondContact O-N 3.08Å; I1269-I1273 WeakPolarHBondContact O-CG1 3.48Å; I1269-I1273 PolarHBondContact O-N 2.94Å |
| 1270 | R | 93.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 172.2 | -75.2 | -174 | -70.1 | -173.6 | -9.8 | 113.1 | L1207 Y1237 M1266 D1268 H1272 I1273 L1274 M1289 S1292 | L1207-R1270 HydrophobicContact CD2-CG 4.06Å; Y1237-R1270 HydrophobicContact CE2-CB 4.4Å; Y1237-R1270 HydrophobicContact CE2-CG 4.33Å; Y1237-R1270 WeakPolarHBondContact OH-CD 3.27Å; Y1237-R1270 WeakPolarHBondContact OH-CG 3.29Å; M1266-R1270 WeakPolarHBondContact O-CB 3.33Å; M1266-R1270 WeakPolarHBondContact O-CG 3.46Å; M1266-R1270 PolarHBondContact O-N 2.67Å; M1266-R1270 PolarHBondContact O-NE 3.22Å; M1266-R1270 VanDerWaalsContact O-NE 3.1Å; M1266-R1270 HydrophobicContact SD-CG 4Å; D1268-R1270 VanDerWaalsContact C-N 3.33Å; D1268-R1270 PolarHBondContact O-N 2.81Å; R1270-H1272 VanDerWaalsContact C-N 3.29Å; R1270-H1272 PolarHBondContact O-N 2.94Å; R1270-I1273 PolarHBondContact O-N 3.15Å; R1270-L1274 WeakPolarHBondContact O-CB 3.46Å; R1270-L1274 WeakPolarHBondContact O-CG 3.31Å; R1270-L1274 PolarHBondContact O-N 2.9Å; R1270-M1289 HydrophobicContact CB-CE 4.26Å; R1270-M1289 HydrophobicContact CB-SD 3.82Å; R1270-S1292 PolarHBondContact NH1-O 3.31Å |
| 1271 | K | 91.9 | Very high | 90.3 | Very high | 111 Ų | 111 | 39.7 Ų | 39.7 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 172.3 | -68.9 | 167.5 | -160.7 | 161.5 | 0 | 111.7 | G1267 D1268 G1275 M1289 | G1267-K1271 WeakPolarHBondContact O-CE 3.35Å; G1267-K1271 VanDerWaalsContact O-CG 3.31Å; G1267-K1271 WeakPolarHBondContact O-CG 3.33Å; D1268-K1271 PolarHBondContact O-N 2.62Å; D1268-K1271 IonicContact OD1-NZ 3.58Å; D1268-K1271 PolarHBondContact OD1-NZ 3.12Å; K1271-G1275 PolarHBondContact O-N 3.33Å; K1271-M1289 HydrophobicContact CG-CE 4.49Å; K1271-M1289 HydrophobicContact CG-CG 4.42Å; K1271-M1289 HydrophobicContact CG-SD 3.98Å |
| 1272 | H | 93.1 | Very high | 90.1 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -50.5 | 173.9 | 164.5 | 83.3 | 0 | 0 | 0 | 110.9 | C1258 S1260 D1268 I1269 R1270 L1274 G1275 V1276 H1277 | C1258-H1272 PolarHBondContact SG-NE2 2.81Å; S1260-H1272 WeakPolarHBondContact CB-NE2 3.43Å; S1260-H1272 PolarHBondContact OG-CE1 2.82Å; S1260-H1272 PolarHBondContact OG-NE2 2.86Å; D1268-H1272 PolarHBondContact O-N 2.83Å; I1269-H1272 WeakPolarHBondContact O-CB 3.49Å; I1269-H1272 PolarHBondContact O-N 3.08Å; R1270-H1272 VanDerWaalsContact C-N 3.29Å; R1270-H1272 PolarHBondContact O-N 2.94Å; H1272-L1274 PolarHBondContact O-N 3.01Å; H1272-G1275 PolarHBondContact O-N 3.16Å; H1272-G1275 VanDerWaalsContact O-N 3.11Å; H1272-V1276 WeakPolarHBondContact O-CB 3.2Å; H1272-V1276 WeakPolarHBondContact O-CG2 3.41Å; H1272-V1276 PolarHBondContact O-N 3.09Å; H1272-H1277 AromaticContact NE2-CD2 3.95Å; H1272-H1277 AromaticContact NE2-NE2 3.68Å |
| 1273 | I | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 179.4 | -65.4 | 170.6 | 0 | 0 | 0 | 111.5 | L1207 Y1237 L1240 V1242 I1269 R1270 G1275 H1277 A1278 | L1207-I1273 HydrophobicContact CD1-CD1 3.57Å; L1207-I1273 HydrophobicContact CD1-CG2 4.28Å; Y1237-I1273 HydrophobicContact CD2-CB 4.35Å; Y1237-I1273 HydrophobicContact CD2-CG2 3.72Å; Y1237-I1273 HydrophobicContact CE2-CG2 4.27Å; L1240-I1273 HydrophobicContact CB-CG2 4.1Å; L1240-I1273 HydrophobicContact CD1-CG2 3.78Å; V1242-I1273 HydrophobicContact CG2-CD1 3.71Å; I1269-I1273 WeakPolarHBondContact O-CG1 3.48Å; I1269-I1273 PolarHBondContact O-N 2.94Å; R1270-I1273 PolarHBondContact O-N 3.15Å; I1273-G1275 VanDerWaalsContact C-N 3.26Å; I1273-G1275 PolarHBondContact O-N 3.38Å; I1273-H1277 PolarHBondContact O-N 3.07Å; I1273-A1278 PolarHBondContact O-N 3.02Å |
| 1274 | L | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -34.2 | 174.9 | -72.4 | 172 | 0 | 0 | 0 | 113 | M1234 Y1237 R1270 H1272 K1279 V1280 A1288 M1289 | M1234-L1274 HydrophobicContact CE-CD2 4.18Å; M1234-L1274 HydrophobicContact SD-CD2 3.66Å; Y1237-L1274 HydrophobicContact CD1-CD2 4.49Å; Y1237-L1274 HydrophobicContact CD2-CD2 3.34Å; Y1237-L1274 HydrophobicContact CD2-CG 3.6Å; Y1237-L1274 HydrophobicContact CE2-CD1 4.41Å; Y1237-L1274 HydrophobicContact CE2-CD2 3.88Å; Y1237-L1274 HydrophobicContact CE2-CG 3.77Å; Y1237-L1274 HydrophobicContact CG-CD2 3.71Å; Y1237-L1274 HydrophobicContact CG-CG 4.45Å; R1270-L1274 WeakPolarHBondContact O-CB 3.46Å; R1270-L1274 WeakPolarHBondContact O-CG 3.31Å; R1270-L1274 PolarHBondContact O-N 2.9Å; H1272-L1274 PolarHBondContact O-N 3.01Å; L1274-K1279 PolarHBondContact O-N 3.29Å; L1274-V1280 HydrophobicContact CD2-CG2 3.95Å; L1274-V1280 WeakPolarHBondContact O-CB 3.46Å; L1274-V1280 PolarHBondContact O-N 3.41Å; L1274-A1288 HydrophobicContact CD1-CB 4.02Å; L1274-A1288 HydrophobicContact CD2-CB 3.9Å; L1274-M1289 HydrophobicContact CD1-CB 4.49Å; L1274-M1289 HydrophobicContact CD1-CG 3.6Å; L1274-M1289 HydrophobicContact CD1-SD 3.54Å; L1274-M1289 VanDerWaalsContact CD1-SD 3.54Å |
| 1275 | G | 91.8 | Very high | 90.6 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -86.5 | -35.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1271 H1272 I1273 | K1271-G1275 PolarHBondContact O-N 3.33Å; H1272-G1275 PolarHBondContact O-N 3.16Å; H1272-G1275 VanDerWaalsContact O-N 3.11Å; I1273-G1275 VanDerWaalsContact C-N 3.26Å; I1273-G1275 PolarHBondContact O-N 3.38Å |
| 1276 | V | 91.9 | Very high | 90.8 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -101.7 | -56.3 | -169.8 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | H1272 K1279 | H1272-V1276 WeakPolarHBondContact O-CB 3.2Å; H1272-V1276 WeakPolarHBondContact O-CG2 3.41Å; H1272-V1276 PolarHBondContact O-N 3.09Å; V1276-K1279 WeakPolarHBondContact O-CG 3.24Å |
| 1277 | H | 92.1 | Very high | 91 | Very high | 28 Ų | 28 | 43.2 Ų | 43.2 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -58 | -176.8 | -62.4 | -83.9 | 0 | 0 | 0 | 110.9 | L1240 C1255 G1257 C1258 H1272 I1273 K1279 | L1240-H1277 HydrophobicContact CD1-CB 3.34Å; C1255-H1277 PolarHBondContact SG-NE2 3.1Å; C1255-H1277 VanDerWaalsContact SG-NE2 3.43Å; G1257-H1277 PolarHBondContact O-CE1 2.94Å; C1258-H1277 PolarHBondContact SG-NE2 3.05Å; C1258-H1277 VanDerWaalsContact SG-NE2 3.41Å; H1272-H1277 AromaticContact NE2-CD2 3.95Å; H1272-H1277 AromaticContact NE2-NE2 3.68Å; I1273-H1277 PolarHBondContact O-N 3.07Å; H1277-K1279 VanDerWaalsContact C-N 3.3Å; H1277-K1279 PolarHBondContact O-N 2.79Å |
| 1278 | A | 92 | Very high | 91.2 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -75.7 | -12 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1233 V1236 I1273 V1280 | K1233-A1278 WeakPolarHBondContact CB-O 3.33Å; K1233-A1278 WeakPolarHBondContact CD-O 3.38Å; K1233-A1278 VanDerWaalsContact CG-O 3.28Å; K1233-A1278 WeakPolarHBondContact CG-O 3.39Å; K1233-A1278 WeakPolarHBondContact O-CB 3.46Å; V1236-A1278 HydrophobicContact CB-CB 4.46Å; V1236-A1278 HydrophobicContact CG1-CB 4.46Å; I1273-A1278 PolarHBondContact O-N 3.02Å; A1278-V1280 HydrophobicContact CB-CG2 4.08Å; A1278-V1280 PolarHBondContact O-N 2.68Å; A1278-V1280 VanDerWaalsContact O-N 3.1Å |
| 1279 | K | 92.4 | Very high | 91.3 | Very high | 111 Ų | 111 | 40.5 Ų | 40.5 | 48% | 0.483 | 20% | 0.198 | S | C | . | . | trans | 51 | 39.7 | 172.8 | -60.2 | 153.8 | -169.4 | 157.6 | 0 | 113 | K1233 L1274 V1276 H1277 | K1233-K1279 PolarHBondContact NZ-O 2.86Å; L1274-K1279 PolarHBondContact O-N 3.29Å; V1276-K1279 WeakPolarHBondContact O-CG 3.24Å; H1277-K1279 VanDerWaalsContact C-N 3.3Å; H1277-K1279 PolarHBondContact O-N 2.79Å | ||
| 1280 | V | 91.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | trans | -71.4 | 127.4 | -179.7 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | L1230 K1233 M1234 L1274 A1278 K1285 A1288 | L1230-V1280 HydrophobicContact CD1-CG1 3.96Å; K1233-V1280 HydrophobicContact CB-CG2 4.21Å; M1234-V1280 HydrophobicContact SD-CG2 4.33Å; L1274-V1280 HydrophobicContact CD2-CG2 3.95Å; L1274-V1280 WeakPolarHBondContact O-CB 3.46Å; L1274-V1280 PolarHBondContact O-N 3.41Å; A1278-V1280 HydrophobicContact CB-CG2 4.08Å; A1278-V1280 PolarHBondContact O-N 2.68Å; A1278-V1280 VanDerWaalsContact O-N 3.1Å; V1280-K1285 HydrophobicContact CB-CG 4.25Å; V1280-K1285 HydrophobicContact CG1-CG 4.02Å; V1280-K1285 WeakPolarHBondContact O-CE 3.44Å; V1280-A1288 HydrophobicContact CG1-CB 4.21Å | ||
| 1281 | P | 87.8 | Confident | 91.2 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | trans | -59.8 | 142 | 178.8 | -24.1 | 33.9 | 0 | 0 | 0 | 112.7 | Y1226 R1283 Y1284 K1285 | Y1226-P1281 HydrophobicContact CE1-CG 4.15Å; Y1226-P1281 WeakPolarHBondContact OH-CG 3.28Å; P1281-R1283 HydrophobicContact CB-CG 4.3Å; P1281-R1283 PolarHBondContact O-N 2.91Å; P1281-R1283 VanDerWaalsContact O-N 3.08Å; P1281-Y1284 HydrophobicContact CB-CD2 4.04Å; P1281-Y1284 HydrophobicContact CG-CD2 4.06Å; P1281-Y1284 HydrophobicContact CG-CE2 4.48Å; P1281-Y1284 PolarHBondContact O-N 2.8Å; P1281-K1285 PolarHBondContact O-N 3.49Å; P1281-K1285 VanDerWaalsContact O-N 3.12Å | ||
| 1282 | E | 85.8 | Confident | 91.3 | Very high | 140 Ų | 140 | 34 Ų | 34 | 65% | 0.654 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -51.1 | -40.3 | -174.9 | -160 | 62.9 | -136.9 | 0 | 0 | 113.3 | Y1284 K1285 | E1282-Y1284 PolarHBondContact O-N 3.24Å; E1282-Y1284 VanDerWaalsContact O-N 3.15Å; E1282-K1285 PolarHBondContact O-N 2.75Å; E1282-K1285 WeakPolarHBondContact OE2-CD 3.44Å; E1282-K1285 VanDerWaalsContact OE2-CE 3.31Å; E1282-K1285 WeakPolarHBondContact OE2-CE 3.41Å; E1282-K1285 IonicContact OE2-NZ 3.91Å; E1282-K1285 PolarHBondContact OE2-NZ 3.46Å |
| 1283 | R | 86.2 | Confident | 91.1 | Very high | 140 Ų | 140 | 34.6 Ų | 34.6 | 53% | 0.528 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.4 | -20.9 | 177.2 | 70.7 | -173 | -168.4 | -109.5 | 1.5 | 115 | P1281 | P1281-R1283 HydrophobicContact CB-CG 4.3Å; P1281-R1283 PolarHBondContact O-N 2.91Å; P1281-R1283 VanDerWaalsContact O-N 3.08Å |
| 1284 | Y | 91.4 | Very high | 91 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -110 | -12.6 | 176.7 | -53.9 | -54 | 0 | 0 | 0 | 113.5 | V1218 Y1221 C1222 Y1226 L1230 P1281 E1282 A1286 A1287 A1288 | V1218-Y1284 HydrophobicContact CB-CD1 4.43Å; V1218-Y1284 HydrophobicContact CG1-CD1 4.02Å; Y1221-Y1284 HydrophobicContact CD2-CD1 4.43Å; Y1221-Y1284 AromaticContact CD2-CE1 3.87Å; Y1221-Y1284 HydrophobicContact CD2-CE1 3.87Å; Y1221-Y1284 AromaticContact CE2-CD1 3.7Å; Y1221-Y1284 HydrophobicContact CE2-CD1 3.7Å; Y1221-Y1284 AromaticContact CE2-CE1 3.6Å; Y1221-Y1284 HydrophobicContact CE2-CE1 3.6Å; Y1221-Y1284 PolarHBondContact O-OH 3.35Å; C1222-Y1284 HydrophobicContact CB-CE1 3.93Å; Y1226-Y1284 HydrophobicContact CD1-CD2 4.46Å; Y1226-Y1284 AromaticContact CD1-CE2 3.68Å; Y1226-Y1284 HydrophobicContact CD1-CE2 3.68Å; Y1226-Y1284 HydrophobicContact CE1-CD2 4.13Å; Y1226-Y1284 AromaticContact CE1-CE2 3.67Å; Y1226-Y1284 HydrophobicContact CE1-CE2 3.67Å; L1230-Y1284 HydrophobicContact CD1-CD2 3.98Å; L1230-Y1284 HydrophobicContact CD1-CG 4.15Å; L1230-Y1284 HydrophobicContact CD2-CD1 4.24Å; L1230-Y1284 HydrophobicContact CD2-CD2 4.11Å; L1230-Y1284 HydrophobicContact CD2-CG 3.87Å; P1281-Y1284 HydrophobicContact CB-CD2 4.04Å; P1281-Y1284 HydrophobicContact CG-CD2 4.06Å; P1281-Y1284 HydrophobicContact CG-CE2 4.48Å; P1281-Y1284 PolarHBondContact O-N 2.8Å; E1282-Y1284 PolarHBondContact O-N 3.24Å; E1282-Y1284 VanDerWaalsContact O-N 3.15Å; Y1284-A1286 PolarHBondContact O-N 3.32Å; Y1284-A1286 VanDerWaalsContact O-N 3.13Å; Y1284-A1287 PolarHBondContact O-N 3.01Å; Y1284-A1288 WeakPolarHBondContact O-CB 3.22Å; Y1284-A1288 PolarHBondContact O-N 3.03Å |
| 1285 | K | 91.2 | Very high | 90.5 | Very high | 49 Ų | 49 | 36 Ų | 36 | 21% | 0.213 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.3 | -32.1 | 179.4 | -74.1 | -173.8 | -168.8 | 167.8 | 0 | 113.3 | V1280 P1281 E1282 M1289 | V1280-K1285 HydrophobicContact CB-CG 4.25Å; V1280-K1285 HydrophobicContact CG1-CG 4.02Å; V1280-K1285 WeakPolarHBondContact O-CE 3.44Å; P1281-K1285 PolarHBondContact O-N 3.49Å; P1281-K1285 VanDerWaalsContact O-N 3.12Å; E1282-K1285 PolarHBondContact O-N 2.75Å; E1282-K1285 WeakPolarHBondContact OE2-CD 3.44Å; E1282-K1285 VanDerWaalsContact OE2-CE 3.31Å; E1282-K1285 WeakPolarHBondContact OE2-CE 3.41Å; E1282-K1285 IonicContact OE2-NZ 3.91Å; E1282-K1285 PolarHBondContact OE2-NZ 3.46Å; K1285-M1289 VanDerWaalsContact O-CB 3.28Å; K1285-M1289 WeakPolarHBondContact O-CB 3.48Å; K1285-M1289 VanDerWaalsContact O-CG 3.29Å; K1285-M1289 WeakPolarHBondContact O-CG 3.39Å; K1285-M1289 PolarHBondContact O-N 2.93Å |
| 1286 | A | 88 | Confident | 89.9 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -52.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1284 A1288 M1289 H1290 I1320 | Y1284-A1286 PolarHBondContact O-N 3.32Å; Y1284-A1286 VanDerWaalsContact O-N 3.13Å; A1286-A1288 VanDerWaalsContact C-N 3.34Å; A1286-A1288 PolarHBondContact O-N 2.9Å; A1286-M1289 PolarHBondContact O-N 3.4Å; A1286-H1290 WeakPolarHBondContact O-CB 3.41Å; A1286-H1290 PolarHBondContact O-CD2 3.26Å; A1286-H1290 PolarHBondContact O-N 3.45Å; A1286-I1320 HydrophobicContact CB-CD1 4.11Å; A1286-I1320 HydrophobicContact CB-CG1 3.78Å |
| 1287 | A | 90.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1214 L1217 V1218 Y1284 H1290 C1291 | L1214-A1287 HydrophobicContact CD1-CB 4.39Å; L1217-A1287 HydrophobicContact CB-CB 3.9Å; V1218-A1287 HydrophobicContact CG1-CB 3.47Å; V1218-A1287 VanDerWaalsContact CG1-CB 3.47Å; Y1284-A1287 PolarHBondContact O-N 3.01Å; A1287-H1290 CarbonylContact O-C 3.56Å; A1287-H1290 PolarHBondContact O-N 3.47Å; A1287-H1290 VanDerWaalsContact O-N 3.07Å; A1287-C1291 PolarHBondContact O-N 3.37Å |
| 1288 | A | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.1 | -49.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1234 L1274 V1280 Y1284 A1286 H1290 C1291 S1292 | M1234-A1288 HydrophobicContact CE-CB 4.29Å; M1234-A1288 HydrophobicContact SD-CB 3.66Å; L1274-A1288 HydrophobicContact CD1-CB 4.02Å; L1274-A1288 HydrophobicContact CD2-CB 3.9Å; V1280-A1288 HydrophobicContact CG1-CB 4.21Å; Y1284-A1288 WeakPolarHBondContact O-CB 3.22Å; Y1284-A1288 PolarHBondContact O-N 3.03Å; A1286-A1288 VanDerWaalsContact C-N 3.34Å; A1286-A1288 PolarHBondContact O-N 2.9Å; A1288-H1290 PolarHBondContact O-N 2.88Å; A1288-C1291 PolarHBondContact O-N 3.25Å; A1288-C1291 PolarHBondContact O-SG 3.34Å; A1288-S1292 PolarHBondContact O-N 2.78Å; A1288-S1292 PolarHBondContact O-OG 3.09Å |
| 1289 | M | 92 | Very high | 88.3 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -20.9 | 174.5 | -80.3 | -65.5 | -52.6 | 0 | 0 | 114 | R1270 K1271 L1274 K1285 A1286 R1293 | R1270-M1289 HydrophobicContact CB-CE 4.26Å; R1270-M1289 HydrophobicContact CB-SD 3.82Å; K1271-M1289 HydrophobicContact CG-CE 4.49Å; K1271-M1289 HydrophobicContact CG-CG 4.42Å; K1271-M1289 HydrophobicContact CG-SD 3.98Å; L1274-M1289 HydrophobicContact CD1-CB 4.49Å; L1274-M1289 HydrophobicContact CD1-CG 3.6Å; L1274-M1289 HydrophobicContact CD1-SD 3.54Å; L1274-M1289 VanDerWaalsContact CD1-SD 3.54Å; K1285-M1289 VanDerWaalsContact O-CB 3.28Å; K1285-M1289 WeakPolarHBondContact O-CB 3.48Å; K1285-M1289 VanDerWaalsContact O-CG 3.29Å; K1285-M1289 WeakPolarHBondContact O-CG 3.39Å; K1285-M1289 PolarHBondContact O-N 2.93Å; A1286-M1289 PolarHBondContact O-N 3.4Å; M1289-R1293 WeakPolarHBondContact O-CG 3.47Å |
| 1290 | H | 90.9 | Very high | 88.1 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -91.8 | -34.7 | 178.7 | -85.5 | -110.2 | 0 | 0 | 0 | 112.6 | L1217 A1286 A1287 A1288 S1292 R1293 L1307 L1310 A1311 I1320 | L1217-H1290 HydrophobicContact CD1-CB 3.83Å; A1286-H1290 WeakPolarHBondContact O-CB 3.41Å; A1286-H1290 PolarHBondContact O-CD2 3.26Å; A1286-H1290 PolarHBondContact O-N 3.45Å; A1287-H1290 CarbonylContact O-C 3.56Å; A1287-H1290 PolarHBondContact O-N 3.47Å; A1287-H1290 VanDerWaalsContact O-N 3.07Å; A1288-H1290 PolarHBondContact O-N 2.88Å; H1290-S1292 VanDerWaalsContact C-N 3.32Å; H1290-R1293 PolarHBondContact CE1-NH1 3.34Å; H1290-R1293 PolarHBondContact ND1-NH1 3.46Å; H1290-L1307 WeakPolarHBondContact O-CD2 3.5Å; H1290-L1310 PolarHBondContact CE1-O 2.97Å; H1290-A1311 HydrophobicContact CB-CB 4.27Å; H1290-A1311 WeakPolarHBondContact ND1-CA 3.47Å; H1290-A1311 VanDerWaalsContact ND1-CB 3.3Å; H1290-A1311 WeakPolarHBondContact ND1-CB 3.42Å; H1290-I1320 HydrophobicContact CB-CD1 4.33Å |
| 1291 | C | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.6 | -9.7 | 175.8 | 76.4 | 0 | 0 | 0 | 0 | 114.6 | Y1209 S1210 A1213 L1214 L1217 A1287 A1288 | Y1209-C1291 WeakPolarHBondContact CA-O 3.44Å; S1210-C1291 PolarHBondContact N-O 2.91Å; A1213-C1291 HydrophobicContact CB-CB 4.21Å; L1214-C1291 HydrophobicContact CB-CB 3.99Å; L1217-C1291 HydrophobicContact CD1-CB 4.07Å; A1287-C1291 PolarHBondContact O-N 3.37Å; A1288-C1291 PolarHBondContact O-N 3.25Å; A1288-C1291 PolarHBondContact O-SG 3.34Å |
| 1292 | S | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 28.9 | 174.5 | 66.8 | 0 | 0 | 0 | 0 | 113 | P1208 Y1237 R1270 A1288 H1290 | P1208-S1292 WeakPolarHBondContact O-CB 3.27Å; Y1237-S1292 PolarHBondContact OH-OG 3.02Å; R1270-S1292 PolarHBondContact NH1-O 3.31Å; A1288-S1292 PolarHBondContact O-N 2.78Å; A1288-S1292 PolarHBondContact O-OG 3.09Å; H1290-S1292 VanDerWaalsContact C-N 3.32Å |
| 1293 | R | 90.4 | Very high | 88.4 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | trans | -73.6 | 129.1 | 172.7 | -84.5 | -175.8 | 166.6 | 159.5 | -7.3 | 110.5 | M1289 H1290 L1302 L1307 L1310 | M1289-R1293 WeakPolarHBondContact O-CG 3.47Å; H1290-R1293 PolarHBondContact CE1-NH1 3.34Å; H1290-R1293 PolarHBondContact ND1-NH1 3.46Å; R1293-L1302 HydrophobicContact CB-CD1 4.1Å; R1293-L1302 PolarHBondContact O-N 3.33Å; R1293-L1307 HydrophobicContact CB-CD2 3.76Å; R1293-L1310 VanDerWaalsContact NH1-CB 3.33Å; R1293-L1310 PolarHBondContact NH1-O 2.89Å | ||
| 1294 | L | 90.2 | Very high | 88.5 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -104.4 | 152.7 | -178.1 | -49.9 | 179.8 | 0 | 0 | 0 | 109.3 | I1205 P1208 N1299 T1300 L1301 | I1205-L1294 HydrophobicContact CG2-CD1 4.07Å; P1208-L1294 HydrophobicContact CG-CD2 3.72Å; L1294-N1299 HydrophobicContact CD1-CB 4.39Å; L1294-T1300 CarbonylContact C-O 3.56Å; L1294-T1300 WeakPolarHBondContact CA-O 3.46Å; L1294-L1301 HydrophobicContact CD2-CD1 4.33Å |
| 1295 | S | 85.3 | Confident | 88.3 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | trans | -51.8 | 147.5 | 161.8 | 157 | 0 | 0 | 0 | 0 | 109.9 | E1297 D1298 N1299 T1300 | S1295-E1297 VanDerWaalsContact C-N 3.34Å; S1295-E1297 WeakPolarHBondContact OG-CB 3.36Å; S1295-E1297 PolarHBondContact OG-N 3.37Å; S1295-E1297 PolarHBondContact OG-OE2 3.48Å; S1295-D1298 PolarHBondContact OG-N 2.73Å; S1295-N1299 WeakPolarHBondContact O-CA 3.46Å; S1295-N1299 PolarHBondContact O-N 2.84Å; S1295-T1300 PolarHBondContact N-O 2.78Å | ||
| 1296 | R | 78.7 | Confident | 88.1 | Confident | 229 Ų | 229 | 54.5 Ų | 54.5 | 86% | 0.864 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -83.7 | -20.3 | 176.1 | 170.4 | 179.9 | -176.4 | 179.9 | 0 | 111.7 | ||
| 1297 | E | 77.9 | Confident | 88.2 | Confident | 128 Ų | 128 | 53.3 Ų | 53.3 | 60% | 0.598 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -83.7 | -63.3 | -175.5 | -55.3 | 63 | -137.1 | 0 | 0 | 108.5 | S1295 | S1295-E1297 VanDerWaalsContact C-N 3.34Å; S1295-E1297 WeakPolarHBondContact OG-CB 3.36Å; S1295-E1297 PolarHBondContact OG-N 3.37Å; S1295-E1297 PolarHBondContact OG-OE2 3.48Å |
| 1298 | D | 81.3 | Confident | 88.1 | Confident | 121 Ų | 121 | 54.5 Ų | 54.5 | 65% | 0.647 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -105.4 | -12.1 | -169.1 | -52.1 | -38.1 | 0 | 0 | 0 | 113.5 | S1295 T1300 | S1295-D1298 PolarHBondContact OG-N 2.73Å; D1298-T1300 HydrophobicContact CB-CG2 3.87Å; D1298-T1300 PolarHBondContact O-N 3.39Å |
| 1299 | N | 83.5 | Confident | 87.6 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | trans | 62.8 | 13.2 | -170.3 | -47.9 | -94 | 0 | 0 | 0 | 114.4 | I1205 L1294 S1295 | I1205-N1299 HydrophobicContact CG2-CB 3.83Å; L1294-N1299 HydrophobicContact CD1-CB 4.39Å; S1295-N1299 WeakPolarHBondContact O-CA 3.46Å; S1295-N1299 PolarHBondContact O-N 2.84Å | ||
| 1300 | T | 87.9 | Confident | 87.1 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 153.4 | 170.2 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | L1294 S1295 D1298 L1302 | L1294-T1300 CarbonylContact C-O 3.56Å; L1294-T1300 WeakPolarHBondContact CA-O 3.46Å; S1295-T1300 PolarHBondContact N-O 2.78Å; D1298-T1300 HydrophobicContact CB-CG2 3.87Å; D1298-T1300 PolarHBondContact O-N 3.39Å; T1300-L1302 PolarHBondContact O-N 3.34Å |
| 1301 | L | 91.7 | Very high | 86.6 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 28% | 0.277 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -65.5 | 129.8 | 175.3 | -175.7 | 64.6 | 0 | 0 | 0 | 110.5 | P1208 L1294 L1307 | P1208-L1301 HydrophobicContact CB-CB 4.19Å; P1208-L1301 HydrophobicContact CB-CD2 4.42Å; P1208-L1301 HydrophobicContact CG-CB 3.95Å; L1294-L1301 HydrophobicContact CD2-CD1 4.33Å; L1301-L1307 HydrophobicContact CD1-CD1 4.3Å; L1301-L1307 HydrophobicContact CD1-CD2 4.42Å |
| 1302 | L | 90.4 | Very high | 85.6 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 146.8 | 176.1 | -64.4 | 174.6 | 0 | 0 | 0 | 110.8 | R1293 T1300 V1306 L1307 L1310 | R1293-L1302 HydrophobicContact CB-CD1 4.1Å; R1293-L1302 PolarHBondContact O-N 3.33Å; T1300-L1302 PolarHBondContact O-N 3.34Å; L1302-V1306 HydrophobicContact CB-CB 4.28Å; L1302-V1306 HydrophobicContact CB-CG1 4.25Å; L1302-V1306 HydrophobicContact CD1-CG1 4.1Å; L1302-L1307 HydrophobicContact CB-CD2 3.78Å; L1302-L1307 HydrophobicContact CB-CG 4.3Å; L1302-L1307 WeakPolarHBondContact O-CD1 3.47Å; L1302-L1307 VanDerWaalsContact O-CG 3.24Å; L1302-L1307 WeakPolarHBondContact O-CG 3.3Å; L1302-L1310 HydrophobicContact CD1-CD1 3.66Å |
| 1303 | P | 89.1 | Confident | 84.4 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -59 | 150.4 | 178.9 | -25.3 | 34.1 | 0 | 0 | 0 | 113.5 | H1305 V1306 L1307 | P1303-H1305 VanDerWaalsContact C-N 3.28Å; P1303-H1305 PolarHBondContact O-N 2.82Å; P1303-H1305 VanDerWaalsContact O-N 3.14Å; P1303-V1306 HydrophobicContact CB-CG2 4.23Å; P1303-V1306 HydrophobicContact CG-CG2 4.31Å; P1303-V1306 CarbonylContact O-C 3.54Å; P1303-V1306 WeakPolarHBondContact O-CA 3.38Å; P1303-V1306 WeakPolarHBondContact O-CB 3.46Å; P1303-V1306 PolarHBondContact O-N 2.88Å; P1303-L1307 PolarHBondContact O-N 2.82Å |
| 1304 | N | 88.7 | Confident | 82.5 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.4 | -39.7 | -173.6 | -66.8 | -12.8 | 0 | 0 | 0 | 113.7 | S1210 E1212 V1306 L1307 L1308 | S1210-N1304 WeakPolarHBondContact CB-OD1 3.49Å; S1210-N1304 VanDerWaalsContact OG-CG 3.25Å; S1210-N1304 PolarHBondContact OG-ND2 3.11Å; S1210-N1304 PolarHBondContact OG-OD1 3Å; E1212-N1304 PolarHBondContact OE2-ND2 3.37Å; N1304-V1306 VanDerWaalsContact C-N 3.31Å; N1304-V1306 PolarHBondContact O-N 3.15Å; N1304-L1307 PolarHBondContact O-N 3.46Å; N1304-L1308 WeakPolarHBondContact O-CB 3.28Å; N1304-L1308 VanDerWaalsContact O-CG 3.26Å; N1304-L1308 WeakPolarHBondContact O-CG 3.04Å; N1304-L1308 PolarHBondContact O-N 2.87Å |
| 1305 | H | 87 | Confident | 80.6 | Confident | 141 Ų | 141 | 78.6 Ų | 78.6 | 65% | 0.653 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.6 | -36.4 | 174.9 | 64.9 | -98.9 | 0 | 0 | 0 | 112.5 | P1303 H1309 | P1303-H1305 VanDerWaalsContact C-N 3.28Å; P1303-H1305 PolarHBondContact O-N 2.82Å; P1303-H1305 VanDerWaalsContact O-N 3.14Å; H1305-H1309 WeakPolarHBondContact O-CB 3.31Å; H1305-H1309 PolarHBondContact O-N 3.43Å |
| 1306 | V | 87.3 | Confident | 78.3 | Confident | 42 Ų | 42 | 88.7 Ų | 88.7 | 26% | 0.255 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.3 | -43.5 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | L1302 P1303 N1304 L1308 H1309 L1310 | L1302-V1306 HydrophobicContact CB-CB 4.28Å; L1302-V1306 HydrophobicContact CB-CG1 4.25Å; L1302-V1306 HydrophobicContact CD1-CG1 4.1Å; P1303-V1306 HydrophobicContact CB-CG2 4.23Å; P1303-V1306 HydrophobicContact CG-CG2 4.31Å; P1303-V1306 CarbonylContact O-C 3.54Å; P1303-V1306 WeakPolarHBondContact O-CA 3.38Å; P1303-V1306 WeakPolarHBondContact O-CB 3.46Å; P1303-V1306 PolarHBondContact O-N 2.88Å; N1304-V1306 VanDerWaalsContact C-N 3.31Å; N1304-V1306 PolarHBondContact O-N 3.15Å; V1306-L1308 VanDerWaalsContact C-N 3.32Å; V1306-L1308 PolarHBondContact O-N 3.09Å; V1306-H1309 PolarHBondContact O-N 2.98Å; V1306-L1310 HydrophobicContact CG1-CD1 3.7Å; V1306-L1310 HydrophobicContact CG1-CG 3.98Å; V1306-L1310 VanDerWaalsContact O-CB 3.31Å; V1306-L1310 WeakPolarHBondContact O-CB 3.4Å; V1306-L1310 VanDerWaalsContact O-CG 3.25Å; V1306-L1310 WeakPolarHBondContact O-CG 3.41Å; V1306-L1310 PolarHBondContact O-N 3.22Å |
| 1307 | L | 90.3 | Very high | 76.5 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 176.2 | -62 | 175.1 | 0 | 0 | 0 | 111.1 | A1213 H1290 R1293 L1301 L1302 P1303 N1304 A1311 | A1213-L1307 HydrophobicContact CB-CB 4.17Å; A1213-L1307 HydrophobicContact CB-CD1 3.75Å; H1290-L1307 WeakPolarHBondContact O-CD2 3.5Å; R1293-L1307 HydrophobicContact CB-CD2 3.76Å; L1301-L1307 HydrophobicContact CD1-CD1 4.3Å; L1301-L1307 HydrophobicContact CD1-CD2 4.42Å; L1302-L1307 HydrophobicContact CB-CD2 3.78Å; L1302-L1307 HydrophobicContact CB-CG 4.3Å; L1302-L1307 WeakPolarHBondContact O-CD1 3.47Å; L1302-L1307 VanDerWaalsContact O-CG 3.24Å; L1302-L1307 WeakPolarHBondContact O-CG 3.3Å; P1303-L1307 PolarHBondContact O-N 2.82Å; N1304-L1307 PolarHBondContact O-N 3.46Å; L1307-A1311 WeakPolarHBondContact O-CB 3.37Å; L1307-A1311 PolarHBondContact O-N 3.46Å; L1307-A1311 VanDerWaalsContact O-N 3.11Å |
| 1308 | L | 87.8 | Confident | 74.8 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.8 | -42 | 178.5 | -65.7 | 172 | 0 | 0 | 0 | 112.2 | T1216 L1217 N1304 V1306 A1311 K1312 | T1216-L1308 HydrophobicContact CG2-CD1 4.04Å; T1216-L1308 HydrophobicContact CG2-CD2 3.78Å; L1217-L1308 HydrophobicContact CD2-CD2 3.82Å; L1217-L1308 HydrophobicContact CG-CD2 3.79Å; N1304-L1308 WeakPolarHBondContact O-CB 3.28Å; N1304-L1308 VanDerWaalsContact O-CG 3.26Å; N1304-L1308 WeakPolarHBondContact O-CG 3.04Å; N1304-L1308 PolarHBondContact O-N 2.87Å; V1306-L1308 VanDerWaalsContact C-N 3.32Å; V1306-L1308 PolarHBondContact O-N 3.09Å; L1308-A1311 WeakPolarHBondContact O-CB 3.27Å; L1308-A1311 PolarHBondContact O-N 2.75Å; L1308-A1311 VanDerWaalsContact O-N 3.16Å; L1308-K1312 PolarHBondContact O-N 3.4Å |
| 1309 | H | 83.2 | Confident | 72.6 | Confident | 97 Ų | 97 | 78 Ų | 78 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 176.4 | -171.8 | 96.8 | 0 | 0 | 0 | 112 | H1305 V1306 A1311 K1312 M1313 | H1305-H1309 WeakPolarHBondContact O-CB 3.31Å; H1305-H1309 PolarHBondContact O-N 3.43Å; V1306-H1309 PolarHBondContact O-N 2.98Å; H1309-A1311 PolarHBondContact O-N 3.15Å; H1309-K1312 PolarHBondContact O-N 2.92Å; H1309-K1312 VanDerWaalsContact O-N 3.09Å; H1309-M1313 PolarHBondContact O-N 2.65Å |
| 1310 | L | 81.8 | Confident | 71 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 20% | 0.204 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.9 | -13.3 | 175.9 | -65.4 | 178.3 | 0 | 0 | 0 | 113.1 | H1290 R1293 L1302 V1306 M1313 | H1290-L1310 PolarHBondContact CE1-O 2.97Å; R1293-L1310 VanDerWaalsContact NH1-CB 3.33Å; R1293-L1310 PolarHBondContact NH1-O 2.89Å; L1302-L1310 HydrophobicContact CD1-CD1 3.66Å; V1306-L1310 HydrophobicContact CG1-CD1 3.7Å; V1306-L1310 HydrophobicContact CG1-CG 3.98Å; V1306-L1310 VanDerWaalsContact O-CB 3.31Å; V1306-L1310 WeakPolarHBondContact O-CB 3.4Å; V1306-L1310 VanDerWaalsContact O-CG 3.25Å; V1306-L1310 WeakPolarHBondContact O-CG 3.41Å; V1306-L1310 PolarHBondContact O-N 3.22Å; L1310-M1313 HydrophobicContact CD2-SD 3.86Å |
| 1311 | A | 80.7 | Confident | 69 | Low | 12 Ų | 12 | 81.4 Ų | 81.4 | 10% | 0.099 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -86.7 | -31 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1217 H1290 L1307 L1308 H1309 L1323 | L1217-A1311 HydrophobicContact CD2-CB 3.42Å; L1217-A1311 VanDerWaalsContact CD2-CB 3.42Å; H1290-A1311 HydrophobicContact CB-CB 4.27Å; H1290-A1311 WeakPolarHBondContact ND1-CA 3.47Å; H1290-A1311 VanDerWaalsContact ND1-CB 3.3Å; H1290-A1311 WeakPolarHBondContact ND1-CB 3.42Å; L1307-A1311 WeakPolarHBondContact O-CB 3.37Å; L1307-A1311 PolarHBondContact O-N 3.46Å; L1307-A1311 VanDerWaalsContact O-N 3.11Å; L1308-A1311 WeakPolarHBondContact O-CB 3.27Å; L1308-A1311 PolarHBondContact O-N 2.75Å; L1308-A1311 VanDerWaalsContact O-N 3.16Å; H1309-A1311 PolarHBondContact O-N 3.15Å; A1311-L1323 HydrophobicContact CB-CD1 3.77Å |
| 1312 | K | 71.1 | Confident | 66.9 | Low | 61 Ų | 61 | 81.5 Ų | 81.5 | 27% | 0.265 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.1 | -31 | 169.6 | -74.2 | 177.4 | 169.5 | -178.6 | 0 | 112.5 | L1308 H1309 K1314 L1323 M1326 L1328 | L1308-K1312 PolarHBondContact O-N 3.4Å; H1309-K1312 PolarHBondContact O-N 2.92Å; H1309-K1312 VanDerWaalsContact O-N 3.09Å; K1312-K1314 PolarHBondContact O-N 2.96Å; K1312-L1323 WeakPolarHBondContact CE-O 3.18Å; K1312-L1323 HydrophobicContact CG-CB 4.14Å; K1312-M1326 PolarHBondContact NZ-O 3.35Å; K1312-L1328 VanDerWaalsContact NZ-CD1 3.31Å |
| 1313 | M | 67.8 | Low | 64.9 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 44% | 0.438 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -62.2 | 121.9 | 174.7 | -77.6 | -173.1 | 158.6 | 0 | 0 | 112.7 | H1309 L1310 W1315 | H1309-M1313 PolarHBondContact O-N 2.65Å; L1310-M1313 HydrophobicContact CD2-SD 3.86Å; M1313-W1315 VanDerWaalsContact O-CD1 3.22Å; M1313-W1315 PolarHBondContact O-N 3.11Å |
| 1314 | K | 50.5 | Low | 62.7 | Low | 177 Ų | 177 | 81.4 Ų | 81.4 | 77% | 0.77 | 42% | 0.421 | S | S | * | . | trans | -73.2 | 83.7 | 179.1 | -84.4 | 179.3 | 174.8 | 166.8 | 0 | 113 | K1312 | K1312-K1314 PolarHBondContact O-N 2.96Š| ||
| 1315 | W | 49.6 | Very low | 60.6 | Low | 145 Ų | 145 | 85.9 Ų | 85.9 | 55% | 0.549 | 44% | 0.44 | S | S | . | . | trans | -73.3 | 141.6 | 166.1 | -65.1 | 89.3 | 0 | 0 | 0 | 111.2 | M1313 G1317 | M1313-W1315 VanDerWaalsContact O-CD1 3.22Å; M1313-W1315 PolarHBondContact O-N 3.11Å; W1315-G1317 PolarHBondContact O-N 2.92Å | ||
| 1316 | K | 38.1 | Very low | 58.7 | Low | 225 Ų | 225 | 81.8 Ų | 81.8 | 98% | 0.978 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 87.1 | 174.9 | -79.7 | -178.5 | 175.5 | 174.5 | 0 | 110.9 | ||
| 1317 | G | 39.8 | Very low | 56.4 | Low | 75 Ų | 75 | 84.5 Ų | 84.5 | 77% | 0.773 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 157.8 | -31.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | W1315 | W1315-G1317 PolarHBondContact O-N 2.92Š|
| 1318 | T | 43.9 | Very low | 54.3 | Low | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.442 | 46% | 0.464 | S | S | . | . | trans | -132.1 | 101.1 | -175.3 | 41.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1319 | V | 33.8 | Very low | 52.3 | Low | 107 Ų | 107 | 92.2 Ų | 92.2 | 65% | 0.648 | 48% | 0.481 | S | S | * | . | trans | -98.4 | 101.7 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | K1321 | V1319-K1321 HydrophobicContact CG1-CG 4.49Å; V1319-K1321 PolarHBondContact O-N 3.46Å | ||
| 1320 | I | 49.7 | Very low | 50.6 | Low | 17 Ų | 17 | 95.8 Ų | 95.8 | 9% | 0.087 | 50% | 0.499 | C | S | . | . | trans | -74.1 | 110.2 | 163.9 | -61.1 | 172 | 0 | 0 | 0 | 106.4 | L1217 A1286 H1290 L1323 | L1217-I1320 HydrophobicContact CD2-CD1 4.49Å; A1286-I1320 HydrophobicContact CB-CD1 4.11Å; A1286-I1320 HydrophobicContact CB-CG1 3.78Å; H1290-I1320 HydrophobicContact CB-CD1 4.33Å; I1320-L1323 HydrophobicContact CB-CD1 3.95Å; I1320-L1323 HydrophobicContact CG2-CD1 3.67Å; I1320-L1323 HydrophobicContact CG2-CG 4.02Å | ||
| 1321 | K | 47.6 | Very low | 48.7 | Very low | 178 Ų | 178 | 101.9 Ų | 101.9 | 77% | 0.774 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -65.2 | -44.4 | -168.1 | -93.6 | -174.1 | 169.4 | -172.3 | 0 | 116.1 | V1319 L1323 | V1319-K1321 HydrophobicContact CG1-CG 4.49Å; V1319-K1321 PolarHBondContact O-N 3.46Å; K1321-L1323 VanDerWaalsContact C-N 3.26Å; K1321-L1323 PolarHBondContact O-N 3.37Å; K1321-L1323 VanDerWaalsContact O-N 3.12Å |
| 1322 | P | 46.3 | Very low | 46.3 | Very low | 55 Ų | 55 | 103.8 Ų | 103.8 | 36% | 0.357 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -86.2 | 30.3 | -168.3 | 33.8 | -36.2 | 0 | 0 | 0 | 114.9 | Y1221 | Y1221-P1322 HydrophobicContact CD1-CG 3.61Å; Y1221-P1322 HydrophobicContact CE1-CG 3.75Å |
| 1323 | L | 48.1 | Very low | 44.3 | Very low | 13 Ų | 13 | 106.6 Ų | 106.6 | 7% | 0.068 | 57% | 0.572 | C | S | . | * | G | 310 helix | trans | -108.6 | 0.7 | -179.2 | -67.1 | 174 | 0 | 0 | 0 | 114.4 | L1217 A1311 K1312 I1320 K1321 M1326 | L1217-L1323 HydrophobicContact CD2-CD1 3.58Å; L1217-L1323 HydrophobicContact CD2-CD2 4.2Å; L1217-L1323 HydrophobicContact CD2-CG 4.5Å; A1311-L1323 HydrophobicContact CB-CD1 3.77Å; K1312-L1323 WeakPolarHBondContact CE-O 3.18Å; K1312-L1323 HydrophobicContact CG-CB 4.14Å; I1320-L1323 HydrophobicContact CB-CD1 3.95Å; I1320-L1323 HydrophobicContact CG2-CD1 3.67Å; I1320-L1323 HydrophobicContact CG2-CG 4.02Å; K1321-L1323 VanDerWaalsContact C-N 3.26Å; K1321-L1323 PolarHBondContact O-N 3.37Å; K1321-L1323 VanDerWaalsContact O-N 3.12Å; L1323-M1326 HydrophobicContact CD2-CE 4.48Å |
| 1324 | S | 43.8 | Very low | 42.8 | Very low | 91 Ų | 91 | 113.5 Ų | 113.5 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -80 | -14.1 | 177.1 | 44.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1325 | E | 44.9 | Very low | 41.9 | Very low | 141 Ų | 141 | 116.8 Ų | 116.8 | 66% | 0.659 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -112.3 | -10.2 | -171.6 | -68.7 | 166.6 | -169.8 | 0 | 0 | 113.2 | D1327 | E1325-D1327 PolarHBondContact O-N 3.46Š|
| 1326 | M | 46 | Very low | 40.9 | Very low | 56 Ų | 56 | 114.1 Ų | 114.1 | 28% | 0.276 | 61% | 0.61 | S | S | . | * | trans | -77.5 | 94.2 | 179 | -171.4 | 171.9 | 76.4 | 0 | 0 | 110.4 | T1216 K1312 L1323 | T1216-M1326 HydrophobicContact CG2-CE 3.83Å; T1216-M1326 HydrophobicContact CG2-SD 3.67Å; K1312-M1326 PolarHBondContact NZ-O 3.35Å; L1323-M1326 HydrophobicContact CD2-CE 4.48Å | ||
| 1327 | D | 40.4 | Very low | 40.4 | Very low | 99 Ų | 99 | 109.3 Ų | 109.3 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | trans | -57.1 | 142.3 | 176.4 | -169.8 | -0 | 0 | 0 | 0 | 111.6 | E1325 S1329 | E1325-D1327 PolarHBondContact O-N 3.46Å; D1327-S1329 VanDerWaalsContact C-N 3.34Å; D1327-S1329 PolarHBondContact OD1-N 2.97Å; D1327-S1329 VanDerWaalsContact OD2-CB 3.28Å; D1327-S1329 WeakPolarHBondContact OD2-CB 3.26Å; D1327-S1329 PolarHBondContact OD2-OG 3.49Å | ||
| 1328 | L | 44.9 | Very low | 40.1 | Very low | 114 Ų | 114 | 110.4 Ų | 110.4 | 60% | 0.597 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -82.7 | -13.4 | 174.8 | -74.8 | 85.6 | 0 | 0 | 0 | 112.1 | K1312 Q1330 F1331 | K1312-L1328 VanDerWaalsContact NZ-CD1 3.31Å; L1328-Q1330 VanDerWaalsContact C-N 3.26Å; L1328-Q1330 PolarHBondContact O-N 2.8Å; L1328-F1331 PolarHBondContact O-N 3.37Å |
| 1329 | S | 46.8 | Very low | 39.7 | Very low | 73 Ų | 73 | 114.1 Ų | 114.1 | 51% | 0.51 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -56.1 | -37.4 | 177.1 | 70.3 | 0 | 0 | 0 | 0 | 113.2 | D1327 F1331 G1332 | D1327-S1329 VanDerWaalsContact C-N 3.34Å; D1327-S1329 PolarHBondContact OD1-N 2.97Å; D1327-S1329 VanDerWaalsContact OD2-CB 3.28Å; D1327-S1329 WeakPolarHBondContact OD2-CB 3.26Å; D1327-S1329 PolarHBondContact OD2-OG 3.49Å; S1329-F1331 VanDerWaalsContact C-N 3.25Å; S1329-F1331 PolarHBondContact O-N 2.74Å; S1329-G1332 PolarHBondContact O-N 3.15Å |
| 1330 | Q | 47.1 | Very low | 39.5 | Very low | 173 Ų | 173 | 112.1 Ų | 112.1 | 81% | 0.808 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -72.5 | -11.3 | -176.5 | -68.3 | -170.1 | -7.9 | 0 | 0 | 114.8 | L1328 | L1328-Q1330 VanDerWaalsContact C-N 3.26Å; L1328-Q1330 PolarHBondContact O-N 2.8Å |
| 1331 | F | 41.3 | Very low | 38.7 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -103 | 12.2 | 169.9 | -75.1 | -86.7 | 0 | 0 | 0 | 112.6 | L1328 S1329 | L1328-F1331 PolarHBondContact O-N 3.37Å; S1329-F1331 VanDerWaalsContact C-N 3.25Å; S1329-F1331 PolarHBondContact O-N 2.74Å |
| 1332 | G | 31.3 | Very low | 38.1 | Very low | 52 Ų | 52 | 116.4 Ų | 116.4 | 54% | 0.536 | 67% | 0.666 | S | S | . | * | trans | -83.2 | 136.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1329 | S1329-G1332 PolarHBondContact O-N 3.15Š| ||
| 1333 | S | 29.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | trans | 65.3 | 81.1 | 161.9 | -158.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1334 | R | 34.8 | Very low | 36.9 | Very low | 234 Ų | 234 | 130.7 Ų | 130.7 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | trans | -158.2 | 92.7 | 150.8 | -110.1 | 163.4 | -153.3 | -117.9 | 2.3 | 113.2 | ||||
| 1335 | R | 31.6 | Very low | 36.3 | Very low | 246 Ų | 246 | 132.2 Ų | 132.2 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | trans | 68.5 | 142.2 | 159.4 | -58.7 | 177.8 | -178.5 | -174.6 | -1.4 | 116.9 | ||||
| 1336 | A | 29.5 | Very low | 35.7 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | cis | -154.8 | 146.5 | -13.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1337 | S | 27.9 | Very low | 35.3 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | 29.7 | 108.5 | 145.8 | -50.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1338 | A | 32.1 | Very low | 34.9 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | -161.3 | 136.9 | 126.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1339 | V | 35.9 | Very low | 34.3 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | 17.2 | 124.6 | 165.7 | -165.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1340 | G | 29.5 | Very low | 33.5 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | cis | 138.2 | 103.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1341 | L | 34.1 | Very low | 32.8 | Very low | 176 Ų | 176 | 141 Ų | 141 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -179.7 | 134.7 | 156 | -102.9 | 166.7 | 0 | 0 | 0 | 109.6 | ||||
| 1342 | P | 35 | Very low | 32.5 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | -121.4 | 136 | -169.7 | 38.4 | -26.8 | 0 | 0 | 0 | 117.6 | ||||
| 1343 | R | 32.6 | Very low | 32.5 | Very low | 245 Ų | 245 | 147.3 Ų | 147.3 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | 63.6 | 173.6 | 153.5 | -83.8 | -176.8 | 175.3 | -179.8 | -1.3 | 116.9 | ||||
| 1344 | P | 36.5 | Very low | 32.7 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | cis | -115.5 | -174.4 | -1.6 | 39.2 | -24.6 | 0 | 0 | 0 | 114.9 | ||||
| 1345 | S | 31.9 | Very low | 32.5 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -91.5 | 135.2 | -174.4 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1346 | G | 31.7 | Very low | 32.6 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 179.1 | 117.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1347 | Q | 37.4 | Very low | 32.7 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 70.6 | 162.1 | 155 | -55.6 | -175.1 | -11 | 0 | 0 | 121 | ||||
| 1348 | F | 30.9 | Very low | 32.9 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | 69.5 | 158.6 | 172.1 | -66.9 | -74.6 | 0 | 0 | 0 | 119.7 | ||||
| 1349 | A | 32.9 | Very low | 33 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -145.1 | 164.3 | -153.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1350 | S | 30 | Very low | 32.8 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 53.8 | 86.6 | 162.7 | -177.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1351 | Q | 32.9 | Very low | 32.9 | Very low | 198 Ų | 198 | 150.1 Ų | 150.1 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -114.2 | 129.7 | 146.5 | -74.2 | -166.3 | -7.6 | 0 | 0 | 110.7 | ||||
| 1352 | V | 34.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -88.8 | 127.4 | 172.1 | 173.9 | 0 | 0 | 0 | 0 | 107.7 | Q1354 | V1352-Q1354 VanDerWaalsContact C-N 3.33Å; V1352-Q1354 HydrophobicContact CG1-CG 4.34Å; V1352-Q1354 PolarHBondContact O-N 3.07Å | ||
| 1353 | Y | 32.3 | Very low | 32.7 | Very low | 231 Ų | 231 | 147.9 Ų | 147.9 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -79.3 | 82.6 | 175.4 | -135.8 | -82.8 | 0 | 0 | 0 | 110.9 | ||||
| 1354 | Q | 32.2 | Very low | 32.5 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | trans | -78.2 | 137.2 | 162 | -76.9 | -174.6 | -51.2 | 0 | 0 | 110 | V1352 T1356 | V1352-Q1354 VanDerWaalsContact C-N 3.33Å; V1352-Q1354 HydrophobicContact CG1-CG 4.34Å; V1352-Q1354 PolarHBondContact O-N 3.07Å; Q1354-T1356 PolarHBondContact O-N 2.8Å | ||
| 1355 | P | 32.1 | Very low | 32.4 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -78.7 | 89.2 | 157.3 | 31.9 | -29.5 | 0 | 0 | 0 | 108.8 | ||||
| 1356 | T | 33.6 | Very low | 32.2 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 64% | 0.638 | 77% | 0.771 | S | S | * | * | trans | -77.4 | 134.7 | -179 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | Q1354 | Q1354-T1356 PolarHBondContact O-N 2.8Š| ||
| 1357 | I | 30.8 | Very low | 32.4 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | -115.4 | 88.7 | 174.7 | -55.6 | 175 | 0 | 0 | 0 | 109.3 | ||||
| 1358 | H | 33 | Very low | 32 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | trans | 174.4 | 154.7 | 166.5 | -113.9 | -144.3 | 0 | 0 | 0 | 107.6 | ||||
| 1359 | R | 32.7 | Very low | 32.1 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 75% | 0.751 | 74% | 0.743 | S | S | * | * | cis | -161.5 | 149.6 | -3.8 | -159.5 | -174.6 | -157.6 | 158.1 | 3.4 | 106.4 | ||||
| 1360 | E | 32.4 | Very low | 32.1 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | 179.5 | 134.4 | 125.4 | -101.7 | 167.9 | -153.5 | 0 | 0 | 112.2 | V1362 | E1360-V1362 HydrophobicContact CB-CG2 4.3Å; E1360-V1362 HydrophobicContact CG-CG2 3.99Å | |||
| 1361 | V | 31.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | trans | -124.4 | 107.1 | 159.2 | 173.3 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 1362 | V | 35.4 | Very low | 32.5 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | -126 | 148.1 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | E1360 | E1360-V1362 HydrophobicContact CB-CG2 4.3Å; E1360-V1362 HydrophobicContact CG-CG2 3.99Å | ||
| 1363 | N | 30 | Very low | 32.4 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | trans | -133.6 | 154 | -154.2 | -159.6 | -0.6 | 0 | 0 | 0 | 110.8 | ||||
| 1364 | F | 27.7 | Very low | 32.5 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | trans | 57.1 | 113.9 | 176.1 | -58 | -79 | 0 | 0 | 0 | 117.8 | ||||
| 1365 | N | 33.9 | Very low | 32.4 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | -168.5 | 160.2 | 88 | -101.9 | -48.1 | 0 | 0 | 0 | 116 | |||||
| 1366 | R | 29.7 | Very low | 32.4 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 77% | 0.774 | 72% | 0.721 | S | S | * | * | trans | -80.6 | 177.8 | 172.4 | -128.2 | 178.8 | 137.2 | 162.7 | -5.8 | 109.7 | E1368 | R1366-E1368 IonicContact CZ-OE1 3.37Å; R1366-E1368 IonicContact NE-OE1 3.15Å; R1366-E1368 PolarHBondContact NE-OE1 3.47Å; R1366-E1368 VanDerWaalsContact NE-OE1 3.15Å; R1366-E1368 IonicContact NH2-OE1 2.74Å; R1366-E1368 PolarHBondContact NH2-OE1 3.2Å | ||
| 1367 | P | 34.1 | Very low | 32.1 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 62% | 0.617 | 73% | 0.728 | S | S | * | * | cis | -139.4 | 172.1 | -3.4 | 44.8 | -28 | 0 | 0 | 0 | 116.9 | ||||
| 1368 | E | 30.5 | Very low | 32.5 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 58% | 0.575 | 72% | 0.722 | S | S | * | * | trans | 56 | 123.2 | 133 | -74.6 | 154.1 | -134.8 | 0 | 0 | 124.7 | R1366 | R1366-E1368 IonicContact CZ-OE1 3.37Å; R1366-E1368 IonicContact NE-OE1 3.15Å; R1366-E1368 PolarHBondContact NE-OE1 3.47Å; R1366-E1368 VanDerWaalsContact NE-OE1 3.15Å; R1366-E1368 IonicContact NH2-OE1 2.74Å; R1366-E1368 PolarHBondContact NH2-OE1 3.2Å | ||
| 1369 | H | 33 | Very low | 32.2 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 61% | 0.611 | 72% | 0.723 | S | S | * | * | 104.2 | 123.8 | 119.6 | -90.6 | -51.8 | 0 | 0 | 0 | 122.5 | |||||
| 1370 | F | 32.4 | Very low | 31.9 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | 63.4 | 139.1 | 155.3 | -58.7 | -55.9 | 0 | 0 | 0 | 116.9 | ||||
| 1371 | S | 35.5 | Very low | 31.6 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | cis | -147.9 | 162.9 | 15.7 | -84.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1372 | S | 36.5 | Very low | 31.4 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | cis | -168.3 | 126 | -14.5 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1373 | S | 30.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | 75.2 | 156.9 | 130.8 | -57.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1374 | P | 35.9 | Very low | 31 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | -143.5 | -175 | -52.6 | 38.9 | -21.7 | 0 | 0 | 0 | 114.2 | |||||
| 1375 | S | 29.1 | Very low | 31.1 | Very low | 87 Ų | 87 | 133 Ų | 133 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | 104.5 | 92.5 | 126.6 | -171.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1376 | K | 31.7 | Very low | 31.1 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | 78.9 | 130.2 | 117.6 | -68.2 | 176.8 | -172 | 178.1 | 0 | 122.3 | |||||
| 1377 | H | 28.5 | Very low | 31.1 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 79% | 0.787 | 70% | 0.698 | S | S | * | * | trans | 77.2 | 158 | 137.5 | -77.1 | -52.3 | 0 | 0 | 0 | 119.5 | ||||
| 1378 | P | 39.6 | Very low | 31.1 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | trans | -122.1 | -150.7 | -153.3 | 33.8 | -11 | 0 | 0 | 0 | 110.7 | ||||
| 1379 | V | 26 | Very low | 31.2 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 70% | 0.697 | 71% | 0.708 | S | S | * | * | trans | 76.3 | 132.2 | 167.8 | 177.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1380 | N | 25.4 | Very low | 31.2 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | trans | 69.4 | 153.1 | 161.5 | -79 | -25.1 | 0 | 0 | 0 | 119.6 | ||||
| 1381 | K | 27.1 | Very low | 31.2 | Very low | 177 Ų | 177 | 125.3 Ų | 125.3 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | trans | 63.8 | 108.9 | 148.5 | -73 | 164.1 | -174.8 | -178.3 | 0 | 116.6 | ||||
| 1382 | S | 27.6 | Very low | 30.9 | Very low | 95 Ų | 95 | 122.9 Ų | 122.9 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | 95.1 | 143.1 | 62.6 | -77.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1383 | L | 27.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | 56.2 | 128.8 | 148.3 | -69 | 155.6 | 0 | 0 | 0 | 117.1 | ||||
| 1384 | S | 29.2 | Very low | 30.5 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 54% | 0.538 | 70% | 0.699 | S | S | . | * | cis | 174.4 | 166.4 | 10.7 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1385 | K | 30.5 | Very low | 30.1 | Very low | 183 Ų | 183 | 126 Ų | 126 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | trans | 66.9 | 151.9 | 146.8 | -73.2 | 161.7 | -175.7 | -179.7 | 0 | 115.3 | ||||
| 1386 | I | 32.1 | Very low | 30.1 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | cis | -156.6 | 158.1 | 6.8 | -123 | 155.7 | 0 | 0 | 0 | 105.2 | ||||
| 1387 | S | 30.3 | Very low | 29.8 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 55% | 0.552 | 71% | 0.708 | S | S | * | * | cis | -160.3 | 170.1 | -20.9 | -139.9 | 0 | 0 | 0 | 0 | 104.7 | Q1389 | S1387-Q1389 PolarHBondContact OG-OE1 3.41Š| ||
| 1388 | T | 34.4 | Very low | 29.7 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | cis | -139.2 | 129.6 | 21.6 | 38.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1389 | Q | 33.1 | Very low | 29 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | 68.1 | 135.1 | 86.2 | -68.6 | -176.9 | -102.3 | 0 | 0 | 114 | S1387 | S1387-Q1389 PolarHBondContact OG-OE1 3.41Š| |||
| 1390 | D | 32.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | cis | -147.3 | 140.9 | 1.7 | -98.4 | -30.4 | 0 | 0 | 0 | 109.7 | ||||
| 1391 | V | 31.5 | Very low | 29.6 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | 62.6 | 133.5 | 89.5 | -178.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1392 | G | 30 | Very low | 30 | Very low | 55 Ų | 55 | 123.9 Ų | 123.9 | 57% | 0.567 | 71% | 0.712 | S | S | * | * | cis | -154.3 | 166.5 | 5.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1393 | I | 29.6 | Very low | 30 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | 69.2 | 128 | 66.7 | -61.6 | 170.7 | 0 | 0 | 0 | 112.1 | |||||
| 1394 | A | 28.5 | Very low | 30.1 | Very low | 71 Ų | 71 | 128 Ų | 128 | 59% | 0.587 | 71% | 0.712 | S | S | * | * | cis | -170.2 | 171.7 | -17.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1395 | D | 27.9 | Very low | 30.1 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | 57.9 | 176 | 144 | -65.6 | -37 | 0 | 0 | 0 | 121.6 | ||||
| 1396 | E | 29.3 | Very low | 30.1 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | 64.2 | 100.9 | 171.4 | -51.8 | -165.4 | 156.8 | 0 | 0 | 115.8 | ||||
| 1397 | S | 25.4 | Very low | 29.9 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | 86.2 | 142.7 | 53.3 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1398 | E | 25.7 | Very low | 29.8 | Very low | 192 Ų | 192 | 124.3 Ų | 124.3 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | trans | 62 | 156.4 | 177.3 | -55.9 | -170.6 | 124.1 | 0 | 0 | 114.7 | ||||
| 1399 | A | 26.1 | Very low | 29.6 | Very low | 77 Ų | 77 | 125 Ų | 125 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | cis | -173.8 | -158.3 | -31 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 1400 | T | 28.7 | Very low | 29.4 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | 59.4 | 74.1 | 160.4 | 27 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1401 | N | 34.3 | Very low | 29.3 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | -37.1 | 147 | 121.7 | -142.2 | 6.5 | 0 | 0 | 0 | 109.5 | |||||
| 1402 | P | 35.4 | Very low | 29.3 | Very low | 88 Ų | 88 | 125.1 Ų | 125.1 | 57% | 0.571 | 72% | 0.716 | S | S | * | * | -157 | -163.8 | 66.1 | 40 | -17.3 | 0 | 0 | 0 | 116 | |||||
| 1403 | N | 28.3 | Very low | 29.3 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | 79 | 143.8 | 144.7 | -80.8 | -6.7 | 0 | 0 | 0 | 117.5 | ||||
| 1404 | R | 28.6 | Very low | 29.4 | Very low | 210 Ų | 210 | 127 Ų | 127 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | cis | 155.4 | 156.6 | -3.6 | -118.8 | -170.1 | 173.7 | -170.4 | -2 | 103.3 | ||||
| 1405 | T | 29.1 | Very low | 29.5 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | cis | -163.7 | 160.8 | -9.1 | -11.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1406 | A | 30.1 | Very low | 29.5 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 80% | 0.802 | 70% | 0.702 | S | S | * | * | trans | 62.4 | 167.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1407 | G | 29.9 | Very low | 29.5 | Very low | 61 Ų | 61 | 124.3 Ų | 124.3 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | cis | -130.1 | 164.9 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1408 | N | 28.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | 62.8 | 136.5 | 63.6 | -69 | 20.7 | 0 | 0 | 0 | 113.1 | |||||
| 1409 | L | 29.6 | Very low | 29.8 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | cis | -168.8 | 145.3 | -7.1 | -103.7 | 168.5 | 0 | 0 | 0 | 107.2 | ||||
| 1410 | T | 29 | Very low | 30 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 60% | 0.595 | 68% | 0.675 | S | S | * | * | trans | 52.4 | -179.2 | 144.1 | 68.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1411 | E | 30 | Very low | 30.1 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | cis | -155.9 | 165.6 | -3.4 | -139.8 | 123.2 | -156 | 0 | 0 | 110.2 | ||||
| 1412 | E | 31.1 | Very low | 29.9 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | trans | 66.3 | 159 | 155.9 | -80.2 | -179.9 | -174.8 | 0 | 0 | 117.7 | R1414 | E1412-R1414 IonicContact OE1-CZ 3.72Å; E1412-R1414 IonicContact OE1-NH1 3.97Å; E1412-R1414 IonicContact OE1-NH2 2.8Å; E1412-R1414 PolarHBondContact OE1-NH2 3.21Å; E1412-R1414 IonicContact OE2-CZ 3.24Å; E1412-R1414 VanDerWaalsContact OE2-CZ 3.24Å; E1412-R1414 IonicContact OE2-NH1 2.74Å; E1412-R1414 PolarHBondContact OE2-NH1 3.46Å; E1412-R1414 IonicContact OE2-NH2 2.97Å; E1412-R1414 PolarHBondContact OE2-NH2 2.8Å | ||
| 1413 | D | 30.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | cis | -147.2 | 163.8 | 20.4 | -148.5 | 4.4 | 0 | 0 | 0 | 117.6 | ||||
| 1414 | R | 30.7 | Very low | 29.8 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 60% | 0.6 | 68% | 0.677 | S | S | * | * | trans | 5.1 | 146.9 | 146.7 | -74.4 | 157.9 | -153.3 | 110.3 | 18 | 118 | E1412 | E1412-R1414 IonicContact OE1-CZ 3.72Å; E1412-R1414 IonicContact OE1-NH1 3.97Å; E1412-R1414 IonicContact OE1-NH2 2.8Å; E1412-R1414 PolarHBondContact OE1-NH2 3.21Å; E1412-R1414 IonicContact OE2-CZ 3.24Å; E1412-R1414 VanDerWaalsContact OE2-CZ 3.24Å; E1412-R1414 IonicContact OE2-NH1 2.74Å; E1412-R1414 PolarHBondContact OE2-NH1 3.46Å; E1412-R1414 IonicContact OE2-NH2 2.97Å; E1412-R1414 PolarHBondContact OE2-NH2 2.8Å | ||
| 1415 | T | 31.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | 170.2 | 170.7 | 50.2 | 7.2 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1416 | N | 27.2 | Very low | 29.9 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | cis | -168.4 | 172.5 | -21.9 | -127.7 | 14.2 | 0 | 0 | 0 | 109.6 | ||||
| 1417 | N | 29.4 | Very low | 30 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 57% | 0.572 | 68% | 0.684 | S | S | * | * | trans | 69.3 | 134.8 | 139.3 | -75.9 | 7.9 | 0 | 0 | 0 | 123.6 | ||||
| 1418 | H | 29.9 | Very low | 30 | Very low | 140 Ų | 140 | 126 Ų | 126 | 65% | 0.648 | 68% | 0.683 | S | S | * | * | trans | 68 | 155.5 | 131.7 | -63.8 | -33.1 | 0 | 0 | 0 | 119.8 | ||||
| 1419 | E | 28.8 | Very low | 30.1 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | cis | -163.9 | -171.1 | -35 | -142.5 | 95.7 | -64.4 | 0 | 0 | 104.5 | ||||
| 1420 | S | 30.4 | Very low | 30.1 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 53% | 0.531 | 68% | 0.679 | S | S | . | * | cis | -158.9 | -177.3 | 2.4 | -161.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1421 | E | 30.6 | Very low | 30.2 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | 64.8 | 124.5 | 149.7 | -79.5 | 134.4 | -119.6 | 0 | 0 | 119.4 | ||||
| 1422 | E | 29.8 | Very low | 30.1 | Very low | 175 Ų | 175 | 123 Ų | 123 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | 82.9 | 153.3 | 63.3 | -75.9 | -168.8 | -165.6 | 0 | 0 | 113.2 | |||||
| 1423 | V | 31.5 | Very low | 30 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 62% | 0.624 | 68% | 0.679 | S | S | * | * | cis | -151.2 | 166.2 | 10.2 | 95.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1424 | N | 29.3 | Very low | 29.9 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | trans | -2.4 | 151.2 | 160 | -52.2 | -32.4 | 0 | 0 | 0 | 121.8 | ||||
| 1425 | G | 30.1 | Very low | 29.9 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 78% | 0.784 | 69% | 0.693 | S | S | * | * | trans | -164.8 | 12.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1426 | N | 31 | Very low | 29.8 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | 20.6 | 126.9 | 150.4 | -85.2 | -2.9 | 0 | 0 | 0 | 122.5 | ||||
| 1427 | S | 30.6 | Very low | 30.5 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | trans | 73.8 | 167.1 | 135.9 | -131.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1428 | S | 31.1 | Very low | 30.7 | Very low | 86 Ų | 86 | 125 Ų | 125 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | cis | -161.2 | 175.7 | 14.3 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1429 | V | 29.7 | Very low | 30.6 | Very low | 126 Ų | 126 | 127 Ų | 127 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | 75.9 | 136.4 | 138.3 | 145.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1430 | V | 30.3 | Very low | 31.1 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 61% | 0.606 | 72% | 0.719 | S | S | * | * | cis | -171.4 | 158.9 | -14.7 | 83.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1431 | D | 29.7 | Very low | 31.3 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | 54.8 | 160.4 | 145 | -62.3 | -7.1 | 0 | 0 | 0 | 121.8 | ||||
| 1432 | N | 29.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | cis | -163.7 | 170.4 | -19.6 | -108.4 | -12.7 | 0 | 0 | 0 | 112.3 | ||||
| 1433 | D | 29.6 | Very low | 31.3 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | 64.6 | 141.5 | 143.4 | -60.2 | -24.4 | 0 | 0 | 0 | 124.4 | ||||
| 1434 | D | 27.6 | Very low | 31.1 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | 66.9 | 105 | 143.7 | -74.4 | -20.5 | 0 | 0 | 0 | 124.6 | ||||
| 1435 | V | 31.9 | Very low | 31.1 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 71% | 0.709 | 72% | 0.724 | S | S | * | * | 47.5 | 110 | 105.7 | 178.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1436 | D | 27.8 | Very low | 31.1 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | -170 | 157.5 | 96.8 | -131.8 | -24.2 | 0 | 0 | 0 | 114.4 | |||||
| 1437 | L | 42.8 | Very low | 31.1 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -114.1 | 140 | 162.8 | -105.1 | 94.6 | 0 | 0 | 0 | 108.2 | ||||
| 1438 | P | 33.5 | Very low | 31 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | -161.3 | 169.7 | 112.2 | 37.7 | -17.9 | 0 | 0 | 0 | 119.4 | |||||
| 1439 | K | 27.1 | Very low | 30.9 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | trans | 71.9 | 86.7 | 144.9 | -71.5 | 151 | -163.8 | 164.7 | 0 | 121.7 | ||||
| 1440 | I | 40.2 | Very low | 30.8 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | 8.2 | 127.9 | 101.2 | -63.5 | 167 | 0 | 0 | 0 | 114.8 | |||||
| 1441 | P | 34.4 | Very low | 30.8 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | -151.7 | 167.1 | 90.6 | 40 | -20.2 | 0 | 0 | 0 | 120.5 | |||||
| 1442 | T | 32.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | trans | -57.4 | 157.1 | 179.6 | 48.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1443 | N | 27.7 | Very low | 30.4 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 169.5 | 155.2 | 136.9 | -84.8 | -18.5 | 0 | 0 | 0 | 109.6 | ||||
| 1444 | L | 28.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 61% | 0.607 | 73% | 0.73 | S | S | * | * | cis | -167.6 | 154.5 | -13.9 | -113 | 169.1 | 0 | 0 | 0 | 109.7 | ||||
| 1445 | F | 29.2 | Very low | 30.2 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | 62.6 | 162.5 | 166.3 | -54.9 | -52.3 | 0 | 0 | 0 | 116.8 | ||||
| 1446 | H | 30.1 | Very low | 30 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | cis | -164.5 | 165.7 | -20.5 | -112.2 | -43.1 | 0 | 0 | 0 | 106.9 | ||||
| 1447 | N | 30.4 | Very low | 30 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | cis | -150.2 | -179.4 | -3.4 | -152.3 | 10.6 | 0 | 0 | 0 | 111.3 | ||||
| 1448 | S | 28.1 | Very low | 29.3 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | trans | -86.5 | 166.2 | -178.3 | -41.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1449 | I | 29.9 | Very low | 28.9 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | -159.3 | 133.4 | 110 | -95.4 | 158.1 | 0 | 0 | 0 | 109.3 | |||||
| 1450 | D | 26.7 | Very low | 29 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 51% | 0.513 | 74% | 0.743 | S | S | . | * | trans | -74.4 | 161.4 | 177.8 | -60.9 | -117.3 | 0 | 0 | 0 | 113.3 | Q1452 | D1450-Q1452 HydrophobicContact CB-CG 4.42Å; D1450-Q1452 PolarHBondContact OD1-NE2 2.74Å | ||
| 1451 | Y | 30.7 | Very low | 28.4 | Very low | 238 Ų | 238 | 139.3 Ų | 139.3 | 93% | 0.933 | 74% | 0.741 | S | S | * | * | -145.3 | 143.6 | 111.5 | -118.3 | -80.2 | 0 | 0 | 0 | 110.8 | |||||
| 1452 | Q | 25.2 | Very low | 28 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | trans | -110 | 161 | -168.8 | -59.5 | 174.5 | 6.5 | 0 | 0 | 111.2 | D1450 | D1450-Q1452 HydrophobicContact CB-CG 4.42Å; D1450-Q1452 PolarHBondContact OD1-NE2 2.74Å | ||
| 1453 | L | 25.3 | Very low | 27.7 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | 46.1 | 144.6 | 142.2 | -62.8 | 165.6 | 0 | 0 | 0 | 119.1 | ||||
| 1454 | S | 24.7 | Very low | 27.7 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | cis | -149.3 | 164.7 | 36.2 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1455 | D | 28.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -60.7 | 146.7 | 154.4 | -62.4 | -78.3 | 0 | 0 | 0 | 111 | ||||
| 1456 | D | 28.2 | Very low | 27.6 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | -152.5 | 135.8 | 142.6 | -133.2 | -22.9 | 0 | 0 | 0 | 110.5 | ||||
| 1457 | S | 27.6 | Very low | 27.4 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -95.7 | 132.8 | -176.6 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1458 | F | 26.9 | Very low | 27.2 | Very low | 210 Ų | 210 | 150.7 Ų | 150.7 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -151.3 | 170.9 | 156.2 | -103.4 | -64.9 | 0 | 0 | 0 | 114.2 | ||||
| 1459 | D | 25.8 | Very low | 27.3 | Very low | 137 Ų | 137 | 153.7 Ų | 153.7 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -104.5 | 175.1 | -146 | -156.4 | -3.4 | 0 | 0 | 0 | 114.8 | ||||
| 1460 | L | 30.1 | Very low | 27.1 | Very low | 150 Ų | 150 | 153 Ų | 153 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -40.8 | 129.2 | 176.6 | -65.7 | 156 | 0 | 0 | 0 | 115.5 | ||||
| 1461 | S | 26.4 | Very low | 27.4 | Very low | 110 Ų | 110 | 154.8 Ų | 154.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | -171.9 | 143.1 | 127.8 | 50 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1462 | R | 25.8 | Very low | 27.2 | Very low | 214 Ų | 214 | 148.2 Ų | 148.2 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 54.5 | 145.4 | 156.5 | -71.2 | -177.2 | 174.6 | 179.4 | 2.6 | 121.2 | ||||
| 1463 | P | 26.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 127 | 169 | 33.3 | -31.9 | 0 | 0 | 0 | 111.6 | ||
| 1464 | A | 27.7 | Very low | 27.6 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 144.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 1465 | K | 26.4 | Very low | 28 | Very low | 191 Ų | 191 | 149 Ų | 149 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 136 | 165.8 | -60.9 | 170.7 | -178.8 | 173.2 | 0 | 108.1 | ||
| 1466 | I | 28.9 | Very low | 28 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 132.4 | 159.8 | -63.7 | 179.8 | 0 | 0 | 0 | 107.6 | ||
| 1467 | L | 26.6 | Very low | 28.2 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 162.8 | -171.3 | -97.9 | 64.5 | 0 | 0 | 0 | 112.7 | ||
| 1468 | R | 25.6 | Very low | 28.1 | Very low | 233 Ų | 233 | 148.6 Ų | 148.6 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 132 | 149.4 | -71.1 | 176.3 | 172 | 152.9 | -6.4 | 107.5 | ||
| 1469 | L | 29.1 | Very low | 28.2 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 125.6 | 161.3 | -81.4 | 160.7 | 0 | 0 | 0 | 108 | ||
| 1470 | N | 26.7 | Very low | 28.2 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -128.7 | 100.5 | 170.6 | -106.8 | 41.7 | 0 | 0 | 0 | 104.2 | ||||
| 1471 | D | 32 | Very low | 28 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -135.7 | 120.5 | 167.3 | -70.7 | -68.1 | 0 | 0 | 0 | 107.7 | ||||
| 1472 | S | 27.7 | Very low | 27.9 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | -22.8 | 159.2 | 129.7 | 47.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1473 | V | 29.1 | Very low | 28.1 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | cis | -157.5 | 145.9 | 46.8 | 167.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1474 | D | 28.8 | Very low | 28.2 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | 48.1 | 149.8 | 160.7 | -53.5 | -15.3 | 0 | 0 | 0 | 118.8 | ||||
| 1475 | D | 32.9 | Very low | 28.1 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | cis | -156 | 175.5 | 41.8 | -152.3 | -18.2 | 0 | 0 | 0 | 113 | ||||
| 1476 | N | 29.4 | Very low | 28.3 | Very low | 128 Ų | 128 | 148 Ų | 148 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | -70.5 | 139 | -170.2 | -63.5 | -92.5 | 0 | 0 | 0 | 114.3 | ||||
| 1477 | N | 31.5 | Very low | 28.3 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | -162.9 | 146.8 | 116.8 | -111.9 | -49.9 | 0 | 0 | 0 | 114 | |||||
| 1478 | T | 27 | Very low | 28.4 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | -127.6 | 127.3 | -168.6 | -47.7 | 0 | 0 | 0 | 0 | 111.4 | I1480 | T1478-I1480 HydrophobicContact CG2-CD1 4.36Å; T1478-I1480 HydrophobicContact CG2-CG1 4.15Å | ||
| 1479 | L | 27.7 | Very low | 28.6 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -161.5 | 95 | 165.9 | -103.7 | 147.9 | 0 | 0 | 0 | 107.1 | ||||
| 1480 | I | 26.6 | Very low | 28.5 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | 66.9 | 77.7 | 71.6 | -53.9 | 171.4 | 0 | 0 | 0 | 112.1 | T1478 | T1478-I1480 HydrophobicContact CG2-CD1 4.36Å; T1478-I1480 HydrophobicContact CG2-CG1 4.15Å | |||
| 1481 | V | 24.6 | Very low | 28.6 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | 29.5 | 124.1 | 113.4 | -172.4 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1482 | Y | 25.9 | Very low | 28.5 | Very low | 214 Ų | 214 | 134.3 Ų | 134.3 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | -168.7 | 152.1 | 105.6 | -92.6 | -69.2 | 0 | 0 | 0 | 110.4 | |||||
| 1483 | P | 30.3 | Very low | 28.5 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | trans | -97.7 | 166.8 | -175.9 | 38.8 | -31.6 | 0 | 0 | 0 | 112.5 | ||||
| 1484 | L | 27.7 | Very low | 28.4 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -133.7 | 133.6 | 162.3 | -82.8 | 173.4 | 0 | 0 | 0 | 111 | ||||
| 1485 | Q | 26.3 | Very low | 28.5 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -79.4 | 167.9 | 165 | -58.6 | 156 | -62.2 | 0 | 0 | 109.5 | ||||
| 1486 | I | 30.2 | Very low | 28.3 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | -169.1 | 149.6 | 134 | -99.5 | 151.3 | 0 | 0 | 0 | 110.1 | ||||
| 1487 | N | 29.2 | Very low | 28.4 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -96.2 | 157.8 | -162.8 | -56.4 | -36.8 | 0 | 0 | 0 | 114.8 | ||||
| 1488 | G | 28.7 | Very low | 28.4 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | 79.5 | -179.7 | 142 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1489 | I | 28.8 | Very low | 28.7 | Very low | 166 Ų | 166 | 135 Ų | 135 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | cis | -139.6 | 161.7 | -2.4 | -54.4 | 174.3 | 0 | 0 | 0 | 108.8 | ||||
| 1490 | S | 28.1 | Very low | 28.9 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | -106.6 | 145.3 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1491 | S | 28.6 | Very low | 29.2 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -179.5 | 136.6 | 148.8 | 20.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1492 | V | 28.4 | Very low | 29.5 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | cis | 68.3 | 106 | 34.4 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1493 | H | 28.7 | Very low | 29.8 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | -172.6 | 128.8 | 123.3 | -115.9 | -83.8 | 0 | 0 | 0 | 115.4 | |||||
| 1494 | S | 27.9 | Very low | 29.6 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | trans | 51.9 | 143.5 | 139.4 | 56.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1495 | S | 29.2 | Very low | 30 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | -164.8 | 156.8 | 58.4 | 38 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1496 | H | 30.1 | Very low | 30.2 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | trans | 38.6 | 133.3 | 144.9 | -68.2 | -116.9 | 0 | 0 | 0 | 118.8 | ||||
| 1497 | E | 31.5 | Very low | 30.4 | Very low | 147 Ų | 147 | 127 Ų | 127 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | cis | -174 | 172.6 | 17.1 | -121.8 | -174.8 | -121 | 0 | 0 | 110 | ||||
| 1498 | N | 31.6 | Very low | 30.3 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | cis | -156.2 | 156.3 | -8.3 | -151 | -12.3 | 0 | 0 | 0 | 112.2 | ||||
| 1499 | V | 32.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | 53.8 | 150.7 | 144 | 146.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1500 | P | 33 | Very low | 30.4 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -127.9 | 178.4 | -156.9 | 43.4 | -27.6 | 0 | 0 | 0 | 117.7 | ||||
| 1501 | G | 32.5 | Very low | 30.4 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | trans | -164 | 128 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1502 | L | 31.3 | Very low | 30.6 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | 66.5 | 129.4 | 74.3 | -67.3 | 170.2 | 0 | 0 | 0 | 113.4 | |||||
| 1503 | C | 30.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 133 Ų | 133 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | cis | -163.4 | 167.6 | -7.5 | -166.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1504 | N | 26.7 | Very low | 30.8 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -67.7 | 172 | 158.6 | -76.8 | -40.6 | 0 | 0 | 0 | 110.8 | ||||
| 1505 | P | 36.8 | Very low | 31.2 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -149.4 | -163 | 27.5 | 44.4 | -21.9 | 0 | 0 | 0 | 117.9 | ||||
| 1506 | F | 29.6 | Very low | 31.3 | Very low | 200 Ų | 200 | 134.5 Ų | 134.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -62.7 | 166.3 | 169.2 | -79.7 | -103.5 | 0 | 0 | 0 | 114.5 | ||||
| 1507 | P | 34 | Very low | 31.4 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | -133.3 | 165.2 | 118.9 | 38.8 | -31.5 | 0 | 0 | 0 | 114.6 | |||||
| 1508 | A | 27.4 | Very low | 31.4 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -119.9 | 160.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1509 | I | 31.1 | Very low | 31.5 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -165.6 | 165.4 | 157.9 | -106.6 | 151.1 | 0 | 0 | 0 | 113.3 | ||||
| 1510 | Q | 29.3 | Very low | 31.6 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -77.3 | 153.7 | -152.9 | -63.9 | 169.5 | -14.2 | 0 | 0 | 119.6 | ||||
| 1511 | I | 27.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | 47.2 | 126.2 | 119.7 | -49.6 | 164.8 | 0 | 0 | 0 | 120.9 | |||||
| 1512 | S | 32.1 | Very low | 31.4 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -163.3 | 162.4 | 136.4 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1513 | N | 29 | Very low | 31.3 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -112.9 | -177.7 | -159.2 | -72.8 | -37.7 | 0 | 0 | 0 | 115.8 | ||||
| 1514 | T | 32.1 | Very low | 31 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 97.1 | 147.5 | 142.6 | 34.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1515 | P | 36.8 | Very low | 31 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -132.6 | -174 | -158.9 | 46.1 | -29.3 | 0 | 0 | 0 | 116.6 | ||||
| 1516 | V | 31.4 | Very low | 30.4 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -165.1 | 143.6 | 168.8 | 119 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1517 | F | 32.3 | Very low | 30.2 | Very low | 174 Ų | 174 | 137 Ų | 137 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | cis | -157.3 | -131.5 | -10.7 | -147.4 | -132.6 | 0 | 0 | 0 | 113.8 | ||||
| 1518 | E | 32.4 | Very low | 29.8 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | trans | -85.4 | 178.1 | -165.8 | -72.5 | -173.9 | 117.8 | 0 | 0 | 117.7 | ||||
| 1519 | S | 34 | Very low | 29.7 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | cis | -152.8 | 137.4 | 19.2 | 65.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1520 | Q | 33.7 | Very low | 29.5 | Very low | 156 Ų | 156 | 134 Ų | 134 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | 59.8 | 148.1 | 138.7 | -61.7 | -177.7 | 32.3 | 0 | 0 | 120.9 | ||||
| 1521 | N | 33.1 | Very low | 29.4 | Very low | 116 Ų | 116 | 132 Ų | 132 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | cis | -153.2 | 167.3 | -1.1 | -125.5 | -35.1 | 0 | 0 | 0 | 113.7 | ||||
| 1522 | K | 28.5 | Very low | 29.5 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -47.1 | 171.6 | -174.8 | -59.8 | 146.7 | -176.8 | 173.1 | 0 | 117.6 | ||||
| 1523 | S | 28.1 | Very low | 29.4 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | cis | -154.2 | 132.6 | 20.3 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1524 | T | 25 | Very low | 29.3 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | 67.9 | 112 | 89.7 | -46.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1525 | I | 25.9 | Very low | 29.4 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -167.8 | 150.9 | 132.7 | -99.2 | 158.7 | 0 | 0 | 0 | 108.8 | ||||
| 1526 | T | 24.1 | Very low | 29 | Very low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -121.2 | 171.7 | -174 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1527 | L | 26.6 | Very low | 29.1 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | 130.9 | 118.4 | 164.5 | -72.9 | 165.7 | 0 | 0 | 0 | 108.8 | ||||
| 1528 | S | 24.6 | Very low | 28.8 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | 68.3 | 103.7 | 49.2 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1529 | G | 25.8 | Very low | 28.7 | Very low | 82 Ų | 82 | 149.4 Ų | 149.4 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 178.7 | 113.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1530 | S | 26.2 | Very low | 28.6 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -70.4 | 154.1 | -179.6 | -56.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1531 | S | 28 | Very low | 28.4 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 18 | 112.5 | 141.1 | -173.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1532 | R | 30.5 | Very low | 28.2 | Very low | 248 Ų | 248 | 153.7 Ų | 153.7 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -148.1 | 146.5 | 154.6 | -110.3 | 171.5 | -171.2 | -139.6 | -0.8 | 112.6 | ||||
| 1533 | R | 29 | Very low | 28.2 | Very low | 237 Ų | 237 | 152.6 Ų | 152.6 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | trans | -82.8 | 176.3 | 172.8 | -61.7 | 176.8 | 175.1 | -179.5 | -2.9 | 111.1 | ||||
| 1534 | K | 28 | Very low | 28.3 | Very low | 200 Ų | 200 | 158.6 Ų | 158.6 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | 88.2 | 161.6 | 168.4 | -50.1 | -173.3 | 175 | -172.9 | 0 | 114.6 | ||||
| 1535 | P | 32.9 | Very low | 28.8 | Very low | 118 Ų | 118 | 158.3 Ų | 158.3 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | -137.5 | -168.8 | -67.1 | 41.3 | -24.7 | 0 | 0 | 0 | 112.3 | |||||
| 1536 | N | 29.8 | Very low | 29 | Very low | 152 Ų | 152 | 157.3 Ų | 157.3 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -55.7 | 136 | 169.2 | -159.3 | 1.9 | 0 | 0 | 0 | 112.5 | ||||
| 1537 | K | 32.5 | Very low | 29.6 | Very low | 200 Ų | 200 | 161.8 Ų | 161.8 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -158.5 | 128.3 | 163.5 | -135.8 | 179.5 | -174.5 | -174 | 0 | 112.2 | ||||
| 1538 | M | 26.4 | Very low | 30 | Very low | 154 Ų | 154 | 163.9 Ų | 163.9 | 76% | 0.759 | 82% | 0.823 | S | S | * | * | trans | -86.4 | 162.9 | 173.2 | -56.8 | -173.5 | -57.5 | 0 | 0 | 112.2 | ||||
| 1539 | H | 30.3 | Very low | 30.5 | Very low | 169 Ų | 169 | 162.4 Ų | 162.4 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | 149.9 | 140.5 | 144 | -74.8 | -178.9 | 0 | 0 | 0 | 107.2 | ||||
| 1540 | L | 30.9 | Very low | 30.8 | Very low | 149 Ų | 149 | 167 Ų | 167 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | cis | -151.4 | 128.5 | 34.6 | -167.2 | 72.9 | 0 | 0 | 0 | 113.1 | ||||
| 1541 | V | 29.8 | Very low | 31.3 | Very low | 122 Ų | 122 | 165.6 Ų | 165.6 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | trans | 23.8 | 119.3 | 145.1 | -173.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1542 | Q | 29.3 | Very low | 31.6 | Very low | 184 Ų | 184 | 166.3 Ų | 166.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | -146.3 | 103.1 | 114.6 | -165.1 | 162 | 23.8 | 0 | 0 | 111.7 | |||||
| 1543 | L | 27.9 | Very low | 31.5 | Very low | 162 Ų | 162 | 163 Ų | 163 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -104.3 | 162 | 168.8 | -74.3 | 168.7 | 0 | 0 | 0 | 110.1 | ||||
| 1544 | R | 31.6 | Very low | 31.7 | Very low | 227 Ų | 227 | 159.7 Ų | 159.7 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -134.5 | 156.2 | 167.7 | -101.3 | -170.9 | 168.1 | 156 | -2.4 | 108.5 | ||||
| 1545 | P | 34.2 | Very low | 31.7 | Very low | 120 Ų | 120 | 154.9 Ų | 154.9 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -87.2 | 167.1 | -122.8 | -18.4 | 34.2 | 0 | 0 | 0 | 116.6 | |||||
| 1546 | D | 29.7 | Very low | 31.7 | Very low | 146 Ų | 146 | 156.7 Ų | 156.7 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -68.1 | 153.5 | -179.3 | -41.6 | -97.2 | 0 | 0 | 0 | 113.8 | ||||
| 1547 | Y | 38 | Very low | 31.8 | Very low | 216 Ų | 216 | 157 Ų | 157 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -156.6 | 117.7 | 138 | -101 | -77.9 | 0 | 0 | 0 | 109.8 | ||||
| 1548 | Y | 35.5 | Very low | 31.7 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 30.1 | 135.5 | 134.4 | -72 | -86.5 | 0 | 0 | 0 | 120.5 | ||||
| 1549 | S | 33.6 | Very low | 32 | Very low | 86 Ų | 86 | 151.7 Ų | 151.7 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | cis | -157 | 166.7 | 9.3 | -56.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1550 | E | 34 | Very low | 31.9 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | 32.8 | 147.2 | 129.5 | -65.8 | 167.1 | 170.9 | 0 | 0 | 122.3 | |||||
| 1551 | S | 35.5 | Very low | 32.2 | Very low | 91 Ų | 91 | 148 Ų | 148 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -170.5 | 169.2 | -5.9 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1552 | N | 34.1 | Very low | 32.2 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 67.4 | 130.3 | 151 | -63.6 | -13.1 | 0 | 0 | 0 | 119.5 | ||||
| 1553 | F | 29.1 | Very low | 32.2 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | 59.3 | 137.2 | 76.4 | -70.3 | -73.4 | 0 | 0 | 0 | 112.8 | |||||
| 1554 | Q | 33.5 | Very low | 32.3 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | cis | -154.4 | 171.2 | 18.9 | -146.4 | 135.6 | -6.9 | 0 | 0 | 112.6 | ||||
| 1555 | S | 28 | Very low | 32.2 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -78.1 | 149.7 | 173.3 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1556 | I | 32 | Very low | 31.9 | Very low | 157 Ų | 157 | 138 Ų | 138 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | trans | -174.1 | 142.7 | 142.8 | -103 | 154.6 | 0 | 0 | 0 | 115.1 | ||||
| 1557 | H | 33.2 | Very low | 31.8 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | 18.5 | 125 | 161.1 | -66.5 | -63.2 | 0 | 0 | 0 | 127.1 | ||||
| 1558 | S | 28.6 | Very low | 31.3 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | 73.3 | 157.2 | 114.8 | -52.1 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1559 | N | 34.1 | Very low | 30.9 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | 73.5 | 107.2 | 164.6 | -54.7 | -13.8 | 0 | 0 | 0 | 116.8 | ||||
| 1560 | N | 27.9 | Very low | 30.6 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | 58.5 | 138.5 | 50.3 | -137.5 | 38.6 | 0 | 0 | 0 | 113.5 | |||||
| 1561 | P | 37.7 | Very low | 30.4 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 58% | 0.584 | 71% | 0.713 | S | S | * | * | cis | -135.5 | -156.5 | -49.1 | 34.1 | -12.9 | 0 | 0 | 0 | 111.7 | ||||
| 1562 | L | 28.7 | Very low | 30.1 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | 67.8 | 160.6 | 168.2 | -90.6 | 82.9 | 0 | 0 | 0 | 116.7 | ||||
| 1563 | V | 30.3 | Very low | 30 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | cis | -161.3 | 166 | -33 | 86.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1564 | D | 29.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | trans | 70.9 | 143.4 | 156 | -88.2 | 24.5 | 0 | 0 | 0 | 124.9 | ||||
| 1565 | N | 30.6 | Very low | 30.2 | Very low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | trans | 68.5 | 96.1 | 138.6 | -62.5 | -27.3 | 0 | 0 | 0 | 122.6 | ||||
| 1566 | S | 27.2 | Very low | 30.6 | Very low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | 93.4 | 132.4 | 105.3 | -66.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1567 | T | 28 | Very low | 30.8 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | 71.7 | 115.7 | 141 | 49.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1568 | V | 26.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | 84.7 | 109.5 | 122.6 | 174 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1569 | S | 27.1 | Very low | 31.2 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | trans | 101 | 136.8 | 133 | -86.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1570 | L | 28.2 | Very low | 31.1 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | trans | 64 | 99.2 | 135.3 | -63.8 | 168.3 | 0 | 0 | 0 | 118.9 | ||||
| 1571 | S | 28.4 | Very low | 31.6 | Very low | 86 Ų | 86 | 120 Ų | 120 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | 127.4 | 142 | 88.3 | -86.4 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1572 | N | 29.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | trans | 89.1 | 137.8 | 133.8 | -83.6 | -3.2 | 0 | 0 | 0 | 122.8 | ||||
| 1573 | Q | 33.6 | Very low | 31.7 | Very low | 152 Ų | 152 | 119.8 Ų | 119.8 | 71% | 0.71 | 68% | 0.682 | S | S | * | * | trans | 78.4 | 135.5 | 138.3 | -74.7 | 168.7 | -3.9 | 0 | 0 | 118.3 | ||||
| 1574 | Q | 32.4 | Very low | 31.8 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | cis | -162.5 | 171.6 | -8.2 | -145.7 | 161.4 | -18.7 | 0 | 0 | 112.3 | ||||
| 1575 | S | 34.5 | Very low | 32 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | trans | 71.9 | 144.7 | 144.8 | 62.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1576 | N | 35.1 | Very low | 32 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | cis | -160.7 | 160.1 | -9.2 | -116.4 | 29.8 | 0 | 0 | 0 | 111.9 | ||||
| 1577 | D | 36.4 | Very low | 32.1 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | trans | 59.6 | 149 | 140.3 | -56.3 | -13.7 | 0 | 0 | 0 | 122.7 | ||||
| 1578 | T | 34.6 | Very low | 32.4 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | cis | -165.2 | 172.9 | -24.8 | 35.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1579 | N | 35.8 | Very low | 32.5 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | 75.7 | 147.9 | 144.1 | -76.3 | -22 | 0 | 0 | 0 | 119.7 | ||||
| 1580 | S | 32.7 | Very low | 32.7 | Very low | 87 Ų | 87 | 127 Ų | 127 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | cis | -162.9 | 121 | -9.2 | -167.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1581 | M | 38 | Very low | 32.8 | Very low | 149 Ų | 149 | 126 Ų | 126 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | 79.8 | 141 | 127.4 | -73.9 | -172.1 | -170.5 | 0 | 0 | 128.3 | |||||
| 1582 | H | 32.9 | Very low | 33 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | trans | 69.1 | 149.6 | 142 | -77.7 | 66.8 | 0 | 0 | 0 | 120 | ||||
| 1583 | S | 35.1 | Very low | 32.9 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | cis | -158.6 | 131.5 | 0 | 29 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1584 | Q | 33 | Very low | 32.6 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | 75.3 | 159.4 | 81.9 | -78.1 | -164.9 | -6.8 | 0 | 0 | 117.1 | |||||
| 1585 | I | 33.4 | Very low | 32.4 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 80% | 0.795 | 71% | 0.712 | S | S | * | * | trans | 84.3 | 142.5 | 173.1 | -53.6 | 174.9 | 0 | 0 | 0 | 115.3 | ||||
| 1586 | T | 30.7 | Very low | 32.1 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | -173.8 | 157.8 | -67.4 | 32.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1587 | N | 29.3 | Very low | 32 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 70.5 | 157.2 | 163.7 | -61.4 | 0.4 | 0 | 0 | 0 | 116.9 | ||||
| 1588 | T | 33.2 | Very low | 31.7 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | cis | -152 | 141.8 | 1.6 | -6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1589 | D | 30.1 | Very low | 31.6 | Very low | 134 Ų | 134 | 129 Ų | 129 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | trans | 42.5 | 147.5 | 136.7 | -57.3 | -3.2 | 0 | 0 | 0 | 126.8 | ||||
| 1590 | N | 30.9 | Very low | 31.6 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | trans | 89.8 | 94.8 | 142.9 | -69.1 | -33 | 0 | 0 | 0 | 123.3 | ||||
| 1591 | N | 30.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | 85.2 | 131.1 | 114 | -61.6 | -18 | 0 | 0 | 0 | 124.1 | |||||
| 1592 | N | 31.6 | Very low | 31.4 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | 88.4 | 86.6 | 138.9 | -67.2 | -5.5 | 0 | 0 | 0 | 123.2 | ||||
| 1593 | S | 27.1 | Very low | 31.5 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 94.2 | 145.6 | 102.7 | -132.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 1594 | I | 27.4 | Very low | 31.5 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 86.3 | 95 | 155.8 | -67 | 153.7 | 0 | 0 | 0 | 120.1 | ||||
| 1595 | V | 28.2 | Very low | 32 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | 60.4 | 124.7 | 132.6 | -175 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1596 | G | 28.8 | Very low | 32.1 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | 170.1 | 52.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1597 | T | 31.9 | Very low | 32.3 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | 52.8 | 110.4 | 165.3 | 50.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1598 | D | 31.8 | Very low | 32.6 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -98.7 | 137.4 | 161.7 | -99 | -47.4 | 0 | 0 | 0 | 109.8 | ||||
| 1599 | C | 31.5 | Very low | 32.6 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | 74.7 | 178.1 | 96.8 | -65.8 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1600 | D | 36.9 | Very low | 32.5 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -61.7 | 168.4 | -171.3 | -71.5 | -77.3 | 0 | 0 | 0 | 116.3 | ||||
| 1601 | H | 32.5 | Very low | 32.4 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | 94.5 | 136.7 | 155 | -70.8 | -70.3 | 0 | 0 | 0 | 122.1 | ||||
| 1602 | L | 32.3 | Very low | 32.3 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 54.4 | 108.3 | 136.6 | -64.2 | 168.2 | 0 | 0 | 0 | 120.6 | K1604 | L1602-K1604 PolarHBondContact O-N 2.97Š| ||
| 1603 | T | 36.7 | Very low | 32.2 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -71.2 | 117.7 | 151 | 44 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1604 | K | 33.1 | Very low | 32.4 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | trans | -144.3 | 130.6 | 166.9 | -134.2 | -175.5 | -175.6 | -173.4 | 0 | 109.2 | L1602 | L1602-K1604 PolarHBondContact O-N 2.97Š| ||
| 1605 | I | 44.9 | Very low | 32.6 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -100.9 | 143.9 | 177.8 | -61.4 | 175.3 | 0 | 0 | 0 | 108.7 | ||||
| 1606 | N | 35.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 63% | 0.631 | 75% | 0.746 | S | S | * | * | trans | -121.8 | 167.4 | -169.2 | -81.8 | -33.2 | 0 | 0 | 0 | 113.5 | ||||
| 1607 | H | 35.2 | Very low | 32.8 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | trans | 76.7 | 154.1 | 167.2 | -47.2 | -70.9 | 0 | 0 | 0 | 117 | ||||
| 1608 | P | 34.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | cis | -113.9 | 172.3 | -3.6 | 40.7 | -30.4 | 0 | 0 | 0 | 114.3 | ||||
| 1609 | P | 32.9 | Very low | 32.9 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -105 | 125.1 | 176.1 | 35.9 | -26.9 | 0 | 0 | 0 | 113.3 | ||||
| 1610 | V | 29.3 | Very low | 33 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -140.4 | 147.8 | 169.9 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1611 | N | 28.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | -72.3 | 154.6 | -178 | -66.9 | -51.3 | 0 | 0 | 0 | 113.9 | ||||
| 1612 | S | 27.9 | Very low | 32.8 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 71.8 | 158.6 | 152.5 | 94.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1613 | V | 29.3 | Very low | 32.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | cis | -154.3 | 161.6 | -12.9 | 96.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1614 | H | 31.5 | Very low | 32.6 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 67% | 0.667 | 73% | 0.729 | S | S | * | * | trans | 74 | 126.3 | 167.4 | -90.1 | 40 | 0 | 0 | 0 | 115.3 | ||||
| 1615 | N | 32.2 | Very low | 32.5 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 33% | 0.332 | 73% | 0.726 | S | S | . | * | 58.5 | 122.4 | 85.6 | -81.6 | -31.1 | 0 | 0 | 0 | 111.3 | S457 | S457-N1615 PolarHBondContact OG-N 3.22Š| |||
| 1616 | R | 30.5 | Very low | 31.6 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 48% | 0.479 | 71% | 0.713 | S | S | . | * | cis | 177.8 | 146 | 33.5 | -92.2 | 161.2 | 162.9 | 166.8 | -11.9 | 107 | S454 L455 | S454-R1616 VanDerWaalsContact CB-CZ 3.49Å; S454-R1616 VanDerWaalsContact CB-NE 3.32Å; S454-R1616 PolarHBondContact O-NE 3.03Å; S454-R1616 PolarHBondContact O-NH2 3.38Å; L455-R1616 HydrophobicContact CB-CB 3.5Å; L455-R1616 HydrophobicContact CB-CG 3.48Å; L455-R1616 VanDerWaalsContact CB-CG 3.48Å; L455-R1616 HydrophobicContact CD2-CB 3.44Å; L455-R1616 VanDerWaalsContact CD2-CB 3.44Å; L455-R1616 HydrophobicContact CD2-CG 4.37Å; L455-R1616 HydrophobicContact CG-CB 3.98Å; L455-R1616 HydrophobicContact CG-CG 4.45Å; L455-R1616 VanDerWaalsContact O-CG 3.26Å; L455-R1616 WeakPolarHBondContact O-CG 3.44Å | ||
| 1617 | I | 29.9 | Very low | 31.4 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 53% | 0.528 | 72% | 0.72 | S | S | . | * | cis | -159.9 | 173.8 | 11 | -172.4 | 165.2 | 0 | 0 | 0 | 109.9 | L455 | L455-I1617 HydrophobicContact CB-CB 3.72Å; L455-I1617 HydrophobicContact CB-CD1 3.93Å; L455-I1617 HydrophobicContact CB-CG1 4.16Å; L455-I1617 HydrophobicContact CB-CG2 4.47Å; L455-I1617 HydrophobicContact CD1-CD1 4.4Å; L455-I1617 HydrophobicContact CD2-CB 3.44Å; L455-I1617 VanDerWaalsContact CD2-CB 3.44Å; L455-I1617 HydrophobicContact CD2-CG2 3.23Å; L455-I1617 HydrophobicContact CG-CB 3.3Å; L455-I1617 HydrophobicContact CG-CD1 3.55Å; L455-I1617 HydrophobicContact CG-CG1 3.89Å; L455-I1617 HydrophobicContact CG-CG2 3.5Å; L455-I1617 VanDerWaalsContact CG-CG2 3.5Å | ||
| 1618 | G | 32.9 | Very low | 31.1 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 71% | 0.713 | S | S | * | * | cis | 121.1 | 52.8 | -16 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1619 | V | 33.1 | Very low | 30.7 | Very low | 200 Ų | 200 | 121.5 Ų | 121.5 | 100% | 1.212 | 71% | 0.709 | S | S | * | * | trans | -103.5 | 0 | 163.8 | 167.8 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 1,619 of 1,619 residues in 1828.8 ms
(Link to these results)