| 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 | 43 | Very low | 38.9 | Very low | 225 Ų | 225 | 160.5 Ų | 160.5 | 100% | 1.108 | 83% | 0.833 | S | S | * | * | 0 | 98.3 | 0 | -174.5 | -177.1 | -76.9 | 0 | 0 | 107.3 | |||||
| 2 | F | 35.1 | Very low | 39.1 | Very low | 211 Ų | 211 | 166.4 Ų | 166.4 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -99.3 | 107.5 | -173 | -75.9 | -80.8 | 0 | 0 | 0 | 110.9 | R4 | F2-R4 PolarHBondContact O-N 2.96Š| ||
| 3 | V | 39.2 | Very low | 39.2 | Very low | 133 Ų | 133 | 162.2 Ų | 162.2 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -77 | 114.7 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | R | 39.2 | Very low | 40 | Very low | 233 Ų | 233 | 159.9 Ų | 159.9 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70 | 137.4 | 170.4 | -76.8 | -179.4 | 171.4 | 167.7 | -2.6 | 109.5 | F2 | F2-R4 PolarHBondContact O-N 2.96Š|
| 5 | P | 40.3 | Very low | 40 | Very low | 108 Ų | 108 | 164.9 Ų | 164.9 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -65 | 152.9 | 173 | 28.8 | -34.4 | 0 | 0 | 0 | 110.8 | T7 | P5-T7 PolarHBondContact O-N 2.9Š|
| 6 | P | 41.4 | Very low | 40 | Very low | 122 Ų | 122 | 168.2 Ų | 168.2 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 120.8 | -172.8 | 26.9 | -34.3 | 0 | 0 | 0 | 111.8 | V8 | P6-V8 PolarHBondContact O-N 2.94Š|
| 7 | T | 40 | Very low | 40.1 | Very low | 135 Ų | 135 | 172 Ų | 172 | 83% | 0.828 | 83% | 0.827 | S | S | * | * | trans | -67.8 | 103.2 | 177.5 | -34.9 | 0 | 0 | 0 | 0 | 110.7 | P5 R9 | P5-T7 PolarHBondContact O-N 2.9Å; T7-R9 PolarHBondContact O-N 3.44Å | ||
| 8 | V | 37.5 | Very low | 39.9 | Very low | 120 Ų | 120 | 167.9 Ų | 167.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -64.2 | 105.4 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | P6 T10 | P6-V8 PolarHBondContact O-N 2.94Å; V8-T10 HydrophobicContact CG1-CG2 4.05Å; V8-T10 PolarHBondContact O-N 3.5Å | ||
| 9 | R | 34.6 | Very low | 39.8 | Very low | 228 Ų | 228 | 164.4 Ų | 164.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -68.9 | 88.6 | 173.8 | -85.7 | -179 | 160 | 175.3 | -5.1 | 110.4 | T7 T11 | T7-R9 PolarHBondContact O-N 3.44Å; R9-T11 PolarHBondContact O-N 3.32Å | ||
| 10 | T | 41.5 | Very low | 39.9 | Very low | 117 Ų | 117 | 165.5 Ų | 165.5 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | -76.4 | 84.1 | 172.9 | 60.7 | 0 | 0 | 0 | 0 | 111 | V8 R12 | V8-T10 HydrophobicContact CG1-CG2 4.05Å; V8-T10 PolarHBondContact O-N 3.5Å; T10-R12 PolarHBondContact O-N 3.35Å | ||
| 11 | T | 36.4 | Very low | 39.9 | Very low | 134 Ų | 134 | 163.2 Ų | 163.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -75.8 | 60 | 173.5 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | R9 | R9-T11 PolarHBondContact O-N 3.32Š| ||
| 12 | R | 40.6 | Very low | 39.7 | Very low | 231 Ų | 231 | 157.9 Ų | 157.9 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -111.8 | 101.4 | 171.4 | -85 | -171.3 | 172 | 178.3 | -0.6 | 111.9 | T10 | T10-R12 PolarHBondContact O-N 3.35Š| ||
| 13 | N | 41.4 | Very low | 39.6 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | trans | -59.6 | 118.9 | 173.5 | -173.8 | -25.2 | 0 | 0 | 0 | 110.4 | R15 R16 | N13-R15 PolarHBondContact O-N 2.81Å; N13-R15 PolarHBondContact OD1-N 2.86Å; N13-R16 PolarHBondContact O-N 3.15Å | ||
| 14 | P | 49.4 | Very low | 39.5 | Very low | 129 Ų | 129 | 155.3 Ų | 155.3 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -3.7 | -169.1 | 27 | -35.6 | 0 | 0 | 0 | 114.7 | ||
| 15 | R | 40.7 | Very low | 39.5 | Very low | 235 Ų | 235 | 147.3 Ų | 147.3 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -3.5 | 178.4 | -70.9 | -174.1 | 174.4 | -179.8 | -0.4 | 115.3 | N13 | N13-R15 PolarHBondContact O-N 2.81Å; N13-R15 PolarHBondContact OD1-N 2.86Å |
| 16 | R | 40.1 | Very low | 39.6 | Very low | 218 Ų | 218 | 147.8 Ų | 147.8 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | trans | -97.1 | 103.6 | 169.6 | -75.6 | -170.5 | 175.8 | -171.3 | -0.7 | 110.1 | N13 | N13-R16 PolarHBondContact O-N 3.15Š| ||
| 17 | R | 41.7 | Very low | 40 | Very low | 233 Ų | 233 | 143.8 Ų | 143.8 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.6 | 159.5 | -75.6 | -176.9 | 175 | 179.3 | -2.2 | 107.9 | ||
| 18 | P | 36.8 | Very low | 40.9 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -60 | 142.2 | 169 | 28 | -33.3 | 0 | 0 | 0 | 108.1 | H20 | P18-H20 PolarHBondContact O-N 3.19Š|
| 19 | P | 38.1 | Very low | 42.6 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 128.9 | 171.7 | 27.2 | -32.5 | 0 | 0 | 0 | 108.1 | I21 | P19-I21 HydrophobicContact CB-CD1 4.2Å; P19-I21 HydrophobicContact CB-CG1 4.19Å; P19-I21 PolarHBondContact O-N 3.26Å |
| 20 | H | 41.6 | Very low | 45 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | trans | -72.7 | 44.3 | 171.1 | -89.1 | -84.6 | 0 | 0 | 0 | 111.5 | P18 L22 | P18-H20 PolarHBondContact O-N 3.19Å; H20-L22 PolarHBondContact O-N 3.24Å | ||
| 21 | I | 40.4 | Very low | 47.2 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 61% | 0.605 | 65% | 0.645 | S | S | * | * | trans | -89.3 | 93.1 | 165.1 | -58.5 | 170.4 | 0 | 0 | 0 | 104.6 | P19 N23 F24 | P19-I21 HydrophobicContact CB-CD1 4.2Å; P19-I21 HydrophobicContact CB-CG1 4.19Å; P19-I21 PolarHBondContact O-N 3.26Å; I21-N23 PolarHBondContact O-N 3.14Å; I21-F24 HydrophobicContact CG2-CE2 4.36Å | ||
| 22 | L | 38.7 | Very low | 49.8 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | trans | -51.5 | 125.3 | 161.5 | -73 | 166.3 | 0 | 0 | 0 | 106.9 | H20 F24 | H20-L22 PolarHBondContact O-N 3.24Å; L22-F24 PolarHBondContact O-N 3.38Å | ||
| 23 | N | 31.5 | Very low | 52.3 | Low | 121 Ų | 121 | 122.3 Ų | 122.3 | 65% | 0.647 | 60% | 0.597 | S | S | * | * | trans | -57.1 | 117.9 | 173.4 | -98.3 | -16.6 | 0 | 0 | 0 | 107.3 | I21 G25 E26 | I21-N23 PolarHBondContact O-N 3.14Å; N23-G25 PolarHBondContact O-N 3.04Å; N23-E26 PolarHBondContact O-N 3.14Å | ||
| 24 | F | 37.1 | Very low | 54.7 | Low | 168 Ų | 168 | 120.6 Ų | 120.6 | 74% | 0.737 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.8 | -14.4 | -174.7 | -73.8 | -86.1 | 0 | 0 | 0 | 113.9 | I21 L22 N28 | I21-F24 HydrophobicContact CG2-CE2 4.36Å; L22-F24 PolarHBondContact O-N 3.38Å; F24-N28 PolarHBondContact O-ND2 3.24Å |
| 25 | G | 40.3 | Very low | 56.8 | Low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.8 | -32.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N23 | N23-G25 PolarHBondContact O-N 3.04Å |
| 26 | E | 41.5 | Very low | 59.4 | Low | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.8 | -38.9 | 177.7 | -66.9 | -167.9 | 141.9 | 0 | 0 | 112.2 | N23 N28 R29 | N23-E26 PolarHBondContact O-N 3.14Å; E26-N28 PolarHBondContact O-N 3.32Å; E26-N28 VanDerWaalsContact O-N 3.15Å; E26-R29 WeakPolarHBondContact O-CB 3.48Å; E26-R29 PolarHBondContact O-N 2.88Å; E26-R29 VanDerWaalsContact O-N 3.08Å |
| 27 | A | 49.8 | Very low | 61.8 | Low | 39 Ų | 39 | 101.2 Ų | 101.2 | 32% | 0.322 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -22 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 28 | N | 60.5 | Low | 64.1 | Low | 85 Ų | 85 | 91.4 Ų | 91.4 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4.5 | 178.4 | -81.4 | -60.4 | 0 | 0 | 0 | 114.3 | F24 E26 R53 | F24-N28 PolarHBondContact O-ND2 3.24Å; E26-N28 PolarHBondContact O-N 3.32Å; E26-N28 VanDerWaalsContact O-N 3.15Å; N28-R53 PolarHBondContact O-NH1 3.3Å |
| 29 | R | 73.1 | Confident | 65.9 | Low | 200 Ų | 200 | 98.2 Ų | 98.2 | 76% | 0.755 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -78.2 | 128.4 | 177.6 | -170.3 | 176 | -177.8 | 174.8 | 1.8 | 109.3 | E26 L31 | E26-R29 WeakPolarHBondContact O-CB 3.48Å; E26-R29 PolarHBondContact O-N 2.88Å; E26-R29 VanDerWaalsContact O-N 3.08Å; R29-L31 PolarHBondContact O-N 2.82Å |
| 30 | P | 84.3 | Confident | 67.3 | Low | 31 Ų | 31 | 102.9 Ų | 102.9 | 20% | 0.201 | 49% | 0.487 | C | S | . | . | trans | -63 | 136.1 | 175.9 | 25.3 | -32.9 | 0 | 0 | 0 | 111 | L32 R33 E51 V52 R53 | P30-L32 VanDerWaalsContact C-N 3.29Å; P30-R33 HydrophobicContact CB-CB 4.37Å; P30-R33 HydrophobicContact CG-CB 4.05Å; P30-E51 HydrophobicContact CB-CB 4.14Å; P30-E51 HydrophobicContact CB-CG 3.92Å; P30-E51 HydrophobicContact CG-CG 4.22Å; P30-V52 CarbonylContact C-O 3.59Å; P30-V52 VanDerWaalsContact CA-O 3.28Å; P30-V52 WeakPolarHBondContact CA-O 3.49Å; P30-V52 WeakPolarHBondContact CB-O 3.45Å; P30-R53 HydrophobicContact CB-CG 4.2Å | ||
| 31 | L | 87.5 | Confident | 67.8 | Low | 24 Ų | 24 | 100.2 Ų | 100.2 | 13% | 0.126 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -65.8 | -33 | 175 | -65 | 168.3 | 0 | 0 | 0 | 111.8 | R29 V52 E54 P73 R311 | R29-L31 PolarHBondContact O-N 2.82Å; L31-V52 HydrophobicContact CB-CB 4.44Å; L31-V52 HydrophobicContact CB-CG1 4.46Å; L31-V52 HydrophobicContact CD1-CG1 4.26Å; L31-V52 PolarHBondContact N-O 3.05Å; L31-E54 HydrophobicContact CD1-CG 3.79Å; L31-E54 HydrophobicContact CD2-CG 4.02Å; L31-E54 HydrophobicContact CG-CG 4.1Å; L31-P73 HydrophobicContact CD1-CB 4.41Å; L31-R311 WeakPolarHBondContact CD1-O 3.24Å; L31-R311 HydrophobicContact CD2-CB 4.31Å; L31-R311 HydrophobicContact CD2-CG 4.17Å |
| 32 | L | 90.4 | Very high | 68.6 | Low | 34 Ų | 34 | 98.8 Ų | 98.8 | 18% | 0.178 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140.1 | 172.3 | 176.5 | 65.4 | 0 | 0 | 0 | 107.7 | P30 E51 V52 F274 | P30-L32 VanDerWaalsContact C-N 3.29Å; L32-E51 CarbonylContact O-C 3.59Å; L32-E51 WeakPolarHBondContact O-CA 3.15Å; L32-V52 HydrophobicContact CB-CB 4.02Å; L32-V52 HydrophobicContact CB-CG2 3.9Å; L32-V52 HydrophobicContact CD2-CG2 4.09Å; L32-V52 HydrophobicContact CG-CG2 4.49Å; L32-V52 PolarHBondContact N-O 3.13Å; L32-V52 PolarHBondContact O-N 3.31Å; L32-F274 HydrophobicContact CD2-CD2 4.11Å; L32-F274 HydrophobicContact CD2-CE2 3.53Å; L32-F274 HydrophobicContact CD2-CZ 4.32Å; L32-F274 HydrophobicContact CG-CE2 4.09Å |
| 33 | R | 92.9 | Very high | 69.5 | Low | 139 Ų | 139 | 99 Ų | 99 | 53% | 0.525 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 129.2 | 173.7 | -177.1 | 172.8 | -162.1 | -110 | 0.5 | 109.8 | P30 L50 E51 | P30-R33 HydrophobicContact CB-CB 4.37Å; P30-R33 HydrophobicContact CG-CB 4.05Å; R33-L50 CarbonylContact C-O 3.57Å; R33-L50 WeakPolarHBondContact CA-O 3.14Å; R33-E51 HydrophobicContact CB-CG 4Å; R33-E51 WeakPolarHBondContact CD-OE1 3.15Å; R33-E51 HydrophobicContact CG-CG 3.67Å; R33-E51 IonicContact CZ-OE1 2.78Å; R33-E51 IonicContact NE-OE1 3.87Å; R33-E51 PolarHBondContact NE-OE1 3.13Å; R33-E51 IonicContact NH2-OE1 2.64Å |
| 34 | Q | 93.5 | Very high | 71.1 | Confident | 76 Ų | 76 | 97.3 Ų | 97.3 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.4 | 175.5 | -172.3 | 178.6 | -9.8 | 0 | 0 | 108.8 | I36 L50 F274 | Q34-I36 HydrophobicContact CG-CG2 3.94Å; Q34-L50 HydrophobicContact CB-CB 4.4Å; Q34-L50 PolarHBondContact N-O 3.27Å; Q34-L50 PolarHBondContact O-N 3.47Å; Q34-F274 HydrophobicContact CB-CD2 4.36Å |
| 35 | V | 93.6 | Very high | 73.1 | Confident | 55 Ų | 55 | 98.5 Ų | 98.5 | 33% | 0.333 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125 | 168.8 | -178.6 | 0 | 0 | 0 | 0 | 107 | R37 Y48 V49 | V35-R37 HydrophobicContact CG1-CG 4.15Å; V35-Y48 WeakPolarHBondContact CA-O 3.28Å; V35-V49 HydrophobicContact CG2-CG2 4.49Å |
| 36 | I | 93.6 | Very high | 75.5 | Confident | 1 Ų | 1 | 96.9 Ų | 96.9 | 1% | 0.005 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.4 | 178.1 | 60 | 163 | 0 | 0 | 0 | 109.2 | Q34 A47 Y48 L50 L267 Q270 L271 | Q34-I36 HydrophobicContact CG-CG2 3.94Å; I36-A47 CarbonylContact O-C 3.53Å; I36-A47 VanDerWaalsContact O-CA 3.22Å; I36-A47 WeakPolarHBondContact O-CA 3.32Å; I36-A47 WeakPolarHBondContact O-CB 3.34Å; I36-Y48 HydrophobicContact CD1-CD2 3.83Å; I36-Y48 HydrophobicContact CG1-CD2 4.24Å; I36-Y48 HydrophobicContact CG1-CG 4.49Å; I36-Y48 PolarHBondContact N-O 2.54Å; I36-Y48 PolarHBondContact O-N 2.76Å; I36-L50 HydrophobicContact CD1-CD1 3.76Å; I36-L50 HydrophobicContact CD1-CD2 4.21Å; I36-L50 HydrophobicContact CD1-CG 4.23Å; I36-L50 HydrophobicContact CG1-CD1 3.95Å; I36-L50 HydrophobicContact CG1-CD2 4.29Å; I36-L50 HydrophobicContact CG1-CG 4.04Å; I36-L50 HydrophobicContact CG2-CD1 3.95Å; I36-L267 HydrophobicContact CD1-CB 4.3Å; I36-Q270 HydrophobicContact CB-CB 4Å; I36-Q270 VanDerWaalsContact CB-OE1 3.27Å; I36-Q270 HydrophobicContact CD1-CB 3.84Å; I36-Q270 HydrophobicContact CG2-CB 3.84Å; I36-L271 HydrophobicContact CD1-CB 4.19Å |
| 37 | R | 92.1 | Very high | 78 | Confident | 120 Ų | 120 | 91.3 Ų | 91.3 | 45% | 0.453 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 143.8 | -171.9 | -59.2 | -169.2 | 166.2 | 165.5 | -6.3 | 109.6 | V35 R39 A47 Y80 Q270 | V35-R37 HydrophobicContact CG1-CG 4.15Å; R37-R39 PolarHBondContact O-N 3.03Å; R37-A47 HydrophobicContact CB-CB 4.33Å; R37-A47 HydrophobicContact CG-CB 3.77Å; R37-Y80 VanDerWaalsContact NH2-CZ 3.29Å; R37-Y80 PolarHBondContact NH2-OH 2.78Å; R37-Q270 PolarHBondContact O-NE2 3.34Å |
| 38 | S | 88.3 | Confident | 80.2 | Confident | 26 Ų | 26 | 89.5 Ų | 89.5 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | trans | -65.3 | 132.2 | 169.8 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | E46 | S38-E46 PolarHBondContact N-O 3.21Š| ||
| 39 | R | 76.5 | Confident | 81.8 | Confident | 242 Ų | 242 | 86 Ų | 86 | 91% | 0.913 | 40% | 0.4 | S | S | * | . | trans | -90.4 | -7.6 | 176.3 | -68 | -172.3 | 179.1 | -169.6 | -0.9 | 112.9 | R37 | R37-R39 PolarHBondContact O-N 3.03Š| ||
| 40 | R | 66.5 | Low | 82.9 | Confident | 199 Ų | 199 | 76.4 Ų | 76.4 | 75% | 0.751 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -75.3 | 144.8 | -179.4 | -66.8 | -173.5 | 175.5 | -167.9 | -2.3 | 109.4 | N42 | R40-N42 PolarHBondContact O-N 2.79Š|
| 41 | S | 52.9 | Low | 83.4 | Confident | 130 Ų | 130 | 76 Ų | 76 | 91% | 0.909 | 36% | 0.359 | S | S | * | . | trans | -71.3 | 34 | 173.8 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 42 | N | 56.9 | Low | 83.6 | Confident | 88 Ų | 88 | 74.8 Ų | 74.8 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | trans | -73.8 | 137.4 | 178 | -142.6 | 17.3 | 0 | 0 | 0 | 108 | R40 V44 | R40-N42 PolarHBondContact O-N 2.79Å; N42-V44 PolarHBondContact O-N 2.77Å | ||
| 43 | P | 57.2 | Low | 83.6 | Confident | 119 Ų | 119 | 76.2 Ų | 76.2 | 77% | 0.773 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -63 | -27.7 | 178.6 | 24.4 | -34 | 0 | 0 | 0 | 112.3 | R45 | P43-R45 PolarHBondContact O-N 2.63Š|
| 44 | V | 65.7 | Low | 83.2 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -74.5 | 104.5 | 171.3 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | N42 E46 | N42-V44 PolarHBondContact O-N 2.77Å; V44-E46 HydrophobicContact CG1-CG 4.07Å; V44-E46 PolarHBondContact O-N 3.03Å |
| 45 | R | 78.8 | Confident | 82.5 | Confident | 193 Ų | 193 | 68.2 Ų | 68.2 | 73% | 0.728 | 33% | 0.327 | S | S | * | . | trans | -73.1 | 110.4 | 173.3 | -65.7 | -176.9 | 174.1 | -176.5 | -2.9 | 109.5 | P43 Y81 | P43-R45 PolarHBondContact O-N 2.63Å; R45-Y81 HydrophobicContact CB-CD2 4.36Å; R45-Y81 HydrophobicContact CB-CE1 4.33Å; R45-Y81 HydrophobicContact CB-CE2 3.6Å; R45-Y81 WeakPolarHBondContact O-CD2 3.45Å; R45-Y81 WeakPolarHBondContact O-CE2 3.44Å | ||
| 46 | E | 89.8 | Confident | 81.6 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | trans | -106.1 | 124.9 | 178.8 | -57.6 | 167.5 | 131.6 | 0 | 0 | 109.7 | S38 V44 H264 S266 L267 | S38-E46 PolarHBondContact N-O 3.21Å; V44-E46 HydrophobicContact CG1-CG 4.07Å; V44-E46 PolarHBondContact O-N 3.03Å; E46-H264 HydrophobicContact CB-CB 4.45Å; E46-H264 HydrophobicContact CG-CB 4.48Å; E46-H264 IonicContact OE1-CE1 2.72Å; E46-H264 IonicContact OE1-CG 2.76Å; E46-H264 IonicContact OE1-ND1 3.13Å; E46-H264 PolarHBondContact OE1-ND1 2.92Å; E46-S266 WeakPolarHBondContact OE2-CB 3.28Å; E46-S266 PolarHBondContact OE2-OG 3.47Å; E46-L267 HydrophobicContact CB-CD1 4.12Å; E46-L267 HydrophobicContact CB-CG 4.36Å | ||
| 47 | A | 93.6 | Very high | 80.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 143.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I36 R37 Y80 Y81 | I36-A47 CarbonylContact O-C 3.53Å; I36-A47 VanDerWaalsContact O-CA 3.22Å; I36-A47 WeakPolarHBondContact O-CA 3.32Å; I36-A47 WeakPolarHBondContact O-CB 3.34Å; R37-A47 HydrophobicContact CB-CB 4.33Å; R37-A47 HydrophobicContact CG-CB 3.77Å; A47-Y80 HydrophobicContact CB-CD1 4.33Å; A47-Y80 HydrophobicContact CB-CG 4.23Å; A47-Y80 WeakPolarHBondContact O-CB 3.44Å; A47-Y80 PolarHBondContact O-N 3.46Å; A47-Y81 HydrophobicContact CB-CD2 4.3Å; A47-Y81 HydrophobicContact CB-CE2 3.63Å |
| 48 | Y | 95.8 | Very high | 78.7 | Confident | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 148.4 | 171.2 | -56.4 | -44.5 | 0 | 0 | 0 | 112.1 | V35 I36 V77 R78 L261 E262 L263 H264 L267 L271 | V35-Y48 WeakPolarHBondContact CA-O 3.28Å; I36-Y48 HydrophobicContact CD1-CD2 3.83Å; I36-Y48 HydrophobicContact CG1-CD2 4.24Å; I36-Y48 HydrophobicContact CG1-CG 4.49Å; I36-Y48 PolarHBondContact N-O 2.54Å; I36-Y48 PolarHBondContact O-N 2.76Å; Y48-V77 HydrophobicContact CD2-CG1 4.28Å; Y48-V77 HydrophobicContact CG-CG1 4.18Å; Y48-R78 CarbonylContact C-O 3.58Å; Y48-R78 VanDerWaalsContact CA-O 3.26Å; Y48-R78 WeakPolarHBondContact CA-O 3.14Å; Y48-L261 HydrophobicContact CD1-CD1 4.19Å; Y48-L261 HydrophobicContact CE1-CD1 3.9Å; Y48-L261 HydrophobicContact CE1-CD2 4.1Å; Y48-L261 HydrophobicContact CE1-CG 4.15Å; Y48-E262 PolarHBondContact OH-O 3.15Å; Y48-L263 VanDerWaalsContact OH-CA 3.29Å; Y48-L263 WeakPolarHBondContact OH-CA 3.34Å; Y48-H264 AromaticContact CE1-CD2 3.89Å; Y48-H264 AromaticContact CZ-CD2 3.82Å; Y48-H264 PolarHBondContact OH-CD2 3.13Å; Y48-H264 PolarHBondContact OH-N 3.47Å; Y48-L267 HydrophobicContact CD1-CD1 4.07Å; Y48-L267 HydrophobicContact CD2-CB 4.04Å; Y48-L267 HydrophobicContact CD2-CD1 3.52Å; Y48-L267 HydrophobicContact CD2-CG 4.4Å; Y48-L267 HydrophobicContact CE1-CD1 4.05Å; Y48-L267 HydrophobicContact CE2-CB 3.73Å; Y48-L267 HydrophobicContact CE2-CD1 3.47Å; Y48-L267 VanDerWaalsContact CE2-CD1 3.47Å; Y48-L267 HydrophobicContact CE2-CG 4.25Å; Y48-L267 HydrophobicContact CG-CD1 3.81Å; Y48-L271 HydrophobicContact CE2-CD2 4.49Å |
| 49 | V | 95.5 | Very high | 76.8 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.8 | 159 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | V35 E51 R78 Y80 | V35-V49 HydrophobicContact CG2-CG2 4.49Å; V49-E51 HydrophobicContact CG1-CG 4.07Å; V49-E51 WeakPolarHBondContact CG1-OE1 3.17Å; V49-R78 HydrophobicContact CB-CB 4.48Å; V49-R78 PolarHBondContact N-O 3.39Å; V49-R78 PolarHBondContact O-N 2.64Å; V49-Y80 HydrophobicContact CG2-CD2 3.68Å |
| 50 | L | 96 | Very high | 75.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.6 | 175.6 | -45 | -177.6 | 0 | 0 | 0 | 108 | R33 Q34 I36 V77 L271 F274 | R33-L50 CarbonylContact C-O 3.57Å; R33-L50 WeakPolarHBondContact CA-O 3.14Å; Q34-L50 HydrophobicContact CB-CB 4.4Å; Q34-L50 PolarHBondContact N-O 3.27Å; Q34-L50 PolarHBondContact O-N 3.47Å; I36-L50 HydrophobicContact CD1-CD1 3.76Å; I36-L50 HydrophobicContact CD1-CD2 4.21Å; I36-L50 HydrophobicContact CD1-CG 4.23Å; I36-L50 HydrophobicContact CG1-CD1 3.95Å; I36-L50 HydrophobicContact CG1-CD2 4.29Å; I36-L50 HydrophobicContact CG1-CG 4.04Å; I36-L50 HydrophobicContact CG2-CD1 3.95Å; L50-V77 HydrophobicContact CD2-CB 4.3Å; L50-V77 HydrophobicContact CD2-CG1 3.68Å; L50-V77 HydrophobicContact CD2-CG2 4.06Å; L50-L271 HydrophobicContact CD2-CD1 3.98Å; L50-F274 HydrophobicContact CB-CD1 4.06Å; L50-F274 HydrophobicContact CB-CD2 3.87Å; L50-F274 HydrophobicContact CB-CE1 3.87Å; L50-F274 HydrophobicContact CB-CE2 3.64Å; L50-F274 HydrophobicContact CB-CG 4.07Å; L50-F274 HydrophobicContact CB-CZ 3.65Å; L50-F274 HydrophobicContact CD1-CB 3.51Å; L50-F274 HydrophobicContact CD1-CD1 3.79Å; L50-F274 HydrophobicContact CD1-CD2 3.8Å; L50-F274 HydrophobicContact CD1-CE1 4.45Å; L50-F274 HydrophobicContact CD1-CE2 4.44Å; L50-F274 HydrophobicContact CD1-CG 3.42Å; L50-F274 VanDerWaalsContact CD1-CG 3.42Å; L50-F274 HydrophobicContact CG-CD1 4.44Å; L50-F274 HydrophobicContact CG-CG 4.36Å |
| 51 | E | 94.1 | Very high | 73.8 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 10% | 0.098 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.8 | -180 | -80.5 | 173.9 | -162.9 | 0 | 0 | 110.7 | P30 L32 R33 V49 R53 V75 T76 | P30-E51 HydrophobicContact CB-CB 4.14Å; P30-E51 HydrophobicContact CB-CG 3.92Å; P30-E51 HydrophobicContact CG-CG 4.22Å; L32-E51 CarbonylContact O-C 3.59Å; L32-E51 WeakPolarHBondContact O-CA 3.15Å; R33-E51 HydrophobicContact CB-CG 4Å; R33-E51 WeakPolarHBondContact CD-OE1 3.15Å; R33-E51 HydrophobicContact CG-CG 3.67Å; R33-E51 IonicContact CZ-OE1 2.78Å; R33-E51 IonicContact NE-OE1 3.87Å; R33-E51 PolarHBondContact NE-OE1 3.13Å; R33-E51 IonicContact NH2-OE1 2.64Å; V49-E51 HydrophobicContact CG1-CG 4.07Å; V49-E51 WeakPolarHBondContact CG1-OE1 3.17Å; E51-R53 IonicContact OE2-CZ 2.93Å; E51-R53 IonicContact OE2-NE 2.6Å; E51-R53 PolarHBondContact OE2-NE 3Å; E51-R53 IonicContact OE2-NH2 2.71Å; E51-R53 PolarHBondContact OE2-NH2 2.78Å; E51-V75 WeakPolarHBondContact O-CA 3.44Å; E51-T76 WeakPolarHBondContact CB-OG1 3.26Å; E51-T76 PolarHBondContact N-O 3.45Å; E51-T76 PolarHBondContact O-N 2.85Å; E51-T76 PolarHBondContact O-OG1 3.2Å |
| 52 | V | 92.9 | Very high | 73.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131 | 163.7 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | P30 L31 L32 P73 W74 V75 F274 V278 Y282 | P30-V52 CarbonylContact C-O 3.59Å; P30-V52 VanDerWaalsContact CA-O 3.28Å; P30-V52 WeakPolarHBondContact CA-O 3.49Å; P30-V52 WeakPolarHBondContact CB-O 3.45Å; L31-V52 HydrophobicContact CB-CB 4.44Å; L31-V52 HydrophobicContact CB-CG1 4.46Å; L31-V52 HydrophobicContact CD1-CG1 4.26Å; L31-V52 PolarHBondContact N-O 3.05Å; L32-V52 HydrophobicContact CB-CB 4.02Å; L32-V52 HydrophobicContact CB-CG2 3.9Å; L32-V52 HydrophobicContact CD2-CG2 4.09Å; L32-V52 HydrophobicContact CG-CG2 4.49Å; L32-V52 PolarHBondContact N-O 3.13Å; L32-V52 PolarHBondContact O-N 3.31Å; V52-P73 HydrophobicContact CG1-CB 3.88Å; V52-W74 CarbonylContact C-O 3.58Å; V52-W74 VanDerWaalsContact CA-O 3.31Å; V52-W74 WeakPolarHBondContact CA-O 3.34Å; V52-V75 HydrophobicContact CG2-CG2 4.34Å; V52-F274 HydrophobicContact CG2-CE2 4.47Å; V52-F274 HydrophobicContact CG2-CZ 3.86Å; V52-V278 HydrophobicContact CG2-CG2 3.72Å; V52-Y282 HydrophobicContact CG1-CE2 3.92Å |
| 53 | R | 89.4 | Confident | 72.1 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 153.1 | -177.8 | -70.6 | 169.7 | 168.5 | -88.1 | -6.8 | 110.3 | N28 P30 E51 G55 P73 W74 | N28-R53 PolarHBondContact O-NH1 3.3Å; P30-R53 HydrophobicContact CB-CG 4.2Å; E51-R53 IonicContact OE2-CZ 2.93Å; E51-R53 IonicContact OE2-NE 2.6Å; E51-R53 PolarHBondContact OE2-NE 3Å; E51-R53 IonicContact OE2-NH2 2.71Å; E51-R53 PolarHBondContact OE2-NH2 2.78Å; R53-G55 PolarHBondContact O-N 2.6Å; R53-P73 VanDerWaalsContact O-CA 3.32Å; R53-P73 WeakPolarHBondContact O-CA 3.37Å; R53-W74 PolarHBondContact N-O 3.07Å; R53-W74 PolarHBondContact O-N 3.3Å |
| 54 | E | 84.9 | Confident | 71.2 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 121.4 | 165 | -68.7 | -179.5 | -168 | 0 | 0 | 107.8 | L31 P71 W255 R311 | L31-E54 HydrophobicContact CD1-CG 3.79Å; L31-E54 HydrophobicContact CD2-CG 4.02Å; L31-E54 HydrophobicContact CG-CG 4.1Å; E54-P71 HydrophobicContact CB-CB 4.16Å; E54-W255 WeakPolarHBondContact O-CH2 3.46Å; E54-R311 WeakPolarHBondContact OE1-CD 3.32Å; E54-R311 IonicContact OE1-NH1 3.42Å; E54-R311 PolarHBondContact OE1-NH1 3.03Å |
| 55 | G | 79.4 | Confident | 70 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 11% | 0.113 | 36% | 0.359 | C | S | . | . | trans | -92 | -166.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | R53 P71 Q72 | R53-G55 PolarHBondContact O-N 2.6Å; G55-P71 WeakPolarHBondContact O-CB 3.41Å; G55-Q72 VanDerWaalsContact CA-O 3.23Å; G55-Q72 WeakPolarHBondContact CA-O 3.35Å; G55-Q72 PolarHBondContact N-O 2.92Å | ||
| 56 | P | 73.5 | Confident | 68.2 | Low | 52 Ų | 52 | 58.9 Ų | 58.9 | 34% | 0.338 | 37% | 0.366 | S | S | . | . | trans | -65.2 | 148.7 | 174.2 | 29.1 | -33.8 | 0 | 0 | 0 | 110.8 | V58 | P56-V58 PolarHBondContact O-N 2.7Å; P56-V58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | V | 66.3 | Low | 65.8 | Low | 62 Ų | 62 | 60.4 Ų | 60.4 | 38% | 0.376 | 38% | 0.383 | S | S | . | . | trans | -68.2 | 109.6 | 165.7 | 175 | 0 | 0 | 0 | 0 | 107.7 | M69 P71 | V57-M69 HydrophobicContact CG1-CB 3.74Å; V57-M69 HydrophobicContact CG1-CE 4.43Å; V57-M69 HydrophobicContact CG1-CG 3.87Å; V57-M69 HydrophobicContact CG1-SD 3.87Å; V57-P71 HydrophobicContact CG2-CB 4.41Å; V57-P71 HydrophobicContact CG2-CG 4.21Å | ||
| 58 | V | 59 | Low | 63.5 | Low | 37 Ų | 37 | 64.7 Ų | 64.7 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | trans | -82.4 | 115.7 | 173.7 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | P56 S60 Q72 A180 T181 | P56-V58 PolarHBondContact O-N 2.7Å; P56-V58 VanDerWaalsContact O-N 3.12Å; V58-S60 PolarHBondContact O-N 2.74Å; V58-Q72 HydrophobicContact CB-CG 4.45Å; V58-Q72 HydrophobicContact CG2-CB 4.47Å; V58-Q72 HydrophobicContact CG2-CG 4.27Å; V58-A180 WeakPolarHBondContact CG1-O 3.38Å; V58-T181 HydrophobicContact CG2-CG2 4.28Å | ||
| 59 | N | 48.8 | Very low | 61.4 | Low | 121 Ų | 121 | 70.8 Ų | 70.8 | 65% | 0.647 | 44% | 0.443 | S | S | * | . | trans | -73.2 | 76.9 | 176.6 | -73.7 | -8.4 | 0 | 0 | 0 | 110.8 | N61 M69 | N59-N61 VanDerWaalsContact C-N 3.34Å; N59-N61 PolarHBondContact O-N 2.75Å; N59-M69 WeakPolarHBondContact OD1-CE 3.17Å | ||
| 60 | S | 41.3 | Very low | 59.6 | Low | 91 Ų | 91 | 74.6 Ų | 74.6 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | trans | -70.5 | 91.2 | 168.6 | 60.5 | 0 | 0 | 0 | 0 | 110 | V58 | V58-S60 PolarHBondContact O-N 2.74Š| ||
| 61 | N | 37.2 | Very low | 58.3 | Low | 138 Ų | 138 | 76.4 Ų | 76.4 | 74% | 0.738 | 47% | 0.474 | S | S | * | . | trans | 69.1 | 123.5 | 176.2 | -58.3 | -22.5 | 0 | 0 | 0 | 116.4 | N59 N63 | N59-N61 VanDerWaalsContact C-N 3.34Å; N59-N61 PolarHBondContact O-N 2.75Å; N61-N63 PolarHBondContact O-N 3.13Å | ||
| 62 | A | 39.4 | Very low | 57.5 | Low | 106 Ų | 106 | 78.3 Ų | 78.3 | 88% | 0.876 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 7.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 63 | N | 36.2 | Very low | 57.3 | Low | 158 Ų | 158 | 79.4 Ų | 79.4 | 85% | 0.845 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -4.5 | -173.1 | -69.2 | -8.1 | 0 | 0 | 0 | 114.1 | N61 A65 | N61-N63 PolarHBondContact O-N 3.13Å; N63-A65 PolarHBondContact O-N 2.77Å |
| 64 | A | 37.6 | Very low | 57.4 | Low | 52 Ų | 52 | 76.8 Ų | 76.8 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | trans | -100.2 | 65.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | T66 A67 | A64-T66 PolarHBondContact O-N 2.78Å; A64-A67 HydrophobicContact CB-CB 3.74Å; A64-A67 PolarHBondContact O-N 2.84Å | ||
| 65 | A | 40.1 | Very low | 57.9 | Low | 105 Ų | 105 | 75 Ų | 75 | 87% | 0.868 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | N63 | N63-A65 PolarHBondContact O-N 2.77Š|
| 66 | T | 40.5 | Very low | 58.5 | Low | 140 Ų | 140 | 75 Ų | 75 | 86% | 0.859 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | -4.2 | -178.3 | 46 | 0 | 0 | 0 | 0 | 114.2 | A64 S68 | A64-T66 PolarHBondContact O-N 2.78Å; T66-S68 PolarHBondContact O-N 3.39Å |
| 67 | A | 41.2 | Very low | 59.6 | Low | 62 Ų | 62 | 72.7 Ų | 72.7 | 51% | 0.512 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -72.9 | 123.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | A64 M69 | A64-A67 HydrophobicContact CB-CB 3.74Å; A64-A67 PolarHBondContact O-N 2.84Å; A67-M69 PolarHBondContact O-N 2.78Å |
| 68 | S | 45.4 | Very low | 60.9 | Low | 91 Ų | 91 | 75.6 Ų | 75.6 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | trans | -56.3 | 118.7 | 176.2 | 52.1 | 0 | 0 | 0 | 0 | 109.1 | T66 I70 | T66-S68 PolarHBondContact O-N 3.39Å; S68-I70 PolarHBondContact O-N 2.98Å | ||
| 69 | M | 51.7 | Low | 62.5 | Low | 128 Ų | 128 | 74.2 Ų | 74.2 | 63% | 0.631 | 45% | 0.45 | S | S | * | . | trans | -67 | 75.5 | 174.1 | -80.4 | -176.3 | 159.2 | 0 | 0 | 110.1 | V57 N59 A67 P71 | V57-M69 HydrophobicContact CG1-CB 3.74Å; V57-M69 HydrophobicContact CG1-CE 4.43Å; V57-M69 HydrophobicContact CG1-CG 3.87Å; V57-M69 HydrophobicContact CG1-SD 3.87Å; N59-M69 WeakPolarHBondContact OD1-CE 3.17Å; A67-M69 PolarHBondContact O-N 2.78Å; M69-P71 WeakPolarHBondContact O-CD 3.42Å | ||
| 70 | I | 57.2 | Low | 64.6 | Low | 91 Ų | 91 | 73.5 Ų | 73.5 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 119.9 | 175.5 | -64.8 | 167.6 | 0 | 0 | 0 | 106.6 | S68 Q72 | S68-I70 PolarHBondContact O-N 2.98Å; I70-Q72 PolarHBondContact O-N 2.95Å |
| 71 | P | 68.8 | Low | 66.8 | Low | 38 Ų | 38 | 74.2 Ų | 74.2 | 25% | 0.247 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 129.9 | 174.9 | -21 | 31.9 | 0 | 0 | 0 | 109.4 | E54 G55 V57 M69 | E54-P71 HydrophobicContact CB-CB 4.16Å; G55-P71 WeakPolarHBondContact O-CB 3.41Å; V57-P71 HydrophobicContact CG2-CB 4.41Å; V57-P71 HydrophobicContact CG2-CG 4.21Å; M69-P71 WeakPolarHBondContact O-CD 3.42Å |
| 72 | Q | 77.6 | Confident | 69.1 | Low | 62 Ų | 62 | 71.6 Ų | 71.6 | 29% | 0.29 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 131.6 | 177 | -73.2 | -165.7 | -1.1 | 0 | 0 | 108.8 | G55 V58 I70 | G55-Q72 VanDerWaalsContact CA-O 3.23Å; G55-Q72 WeakPolarHBondContact CA-O 3.35Å; G55-Q72 PolarHBondContact N-O 2.92Å; V58-Q72 HydrophobicContact CB-CG 4.45Å; V58-Q72 HydrophobicContact CG2-CB 4.47Å; V58-Q72 HydrophobicContact CG2-CG 4.27Å; I70-Q72 PolarHBondContact O-N 2.95Å |
| 73 | P | 87.9 | Confident | 70.8 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 14% | 0.143 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 144.4 | 177 | 28.1 | -33.3 | 0 | 0 | 0 | 110.8 | L31 V52 R53 V91 Y282 | L31-P73 HydrophobicContact CD1-CB 4.41Å; V52-P73 HydrophobicContact CG1-CB 3.88Å; R53-P73 VanDerWaalsContact O-CA 3.32Å; R53-P73 WeakPolarHBondContact O-CA 3.37Å; P73-V91 HydrophobicContact CB-CG2 3.96Å; P73-V91 HydrophobicContact CG-CB 4.09Å; P73-V91 HydrophobicContact CG-CG2 3.85Å; P73-V91 WeakPolarHBondContact O-CB 3.26Å; P73-V91 VanDerWaalsContact O-CG2 3.24Å; P73-V91 WeakPolarHBondContact O-CG2 3.44Å; P73-V91 PolarHBondContact O-N 2.82Å; P73-Y282 HydrophobicContact CB-CD1 4.49Å; P73-Y282 HydrophobicContact CB-CE1 4.08Å; P73-Y282 HydrophobicContact CB-CE2 4.25Å; P73-Y282 HydrophobicContact CG-CD1 3.64Å; P73-Y282 HydrophobicContact CG-CD2 4.19Å; P73-Y282 HydrophobicContact CG-CE1 3.68Å; P73-Y282 HydrophobicContact CG-CE2 4.23Å; P73-Y282 HydrophobicContact CG-CG 3.9Å |
| 74 | W | 92 | Very high | 73.1 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.9 | 174.8 | -78.6 | 62.2 | 0 | 0 | 0 | 110.4 | V52 R53 P90 C183 W255 | V52-W74 CarbonylContact C-O 3.58Å; V52-W74 VanDerWaalsContact CA-O 3.31Å; V52-W74 WeakPolarHBondContact CA-O 3.34Å; R53-W74 PolarHBondContact N-O 3.07Å; R53-W74 PolarHBondContact O-N 3.3Å; W74-P90 HydrophobicContact CD2-CB 4.17Å; W74-P90 HydrophobicContact CE3-CB 4.41Å; W74-P90 HydrophobicContact CH2-CB 4.39Å; W74-P90 HydrophobicContact CZ2-CB 4.12Å; W74-P90 HydrophobicContact CZ3-CB 4.5Å; W74-C183 HydrophobicContact CH2-CB 3.85Å; W74-C183 HydrophobicContact CZ3-CB 4.35Å; W74-W255 HydrophobicContact CB-CE3 4.2Å; W74-W255 HydrophobicContact CD2-CB 3.94Å; W74-W255 HydrophobicContact CD2-CD2 4.44Å; W74-W255 HydrophobicContact CD2-CE3 4.38Å; W74-W255 HydrophobicContact CD2-CG 4.29Å; W74-W255 HydrophobicContact CE3-CB 3.41Å; W74-W255 VanDerWaalsContact CE3-CB 3.41Å; W74-W255 HydrophobicContact CE3-CG 4.24Å; W74-W255 HydrophobicContact CG-CE3 4.21Å; W74-W255 HydrophobicContact CH2-CB 3.61Å; W74-W255 HydrophobicContact CH2-CG 4.37Å; W74-W255 HydrophobicContact CZ2-CB 4.12Å; W74-W255 HydrophobicContact CZ2-CG 4.44Å; W74-W255 HydrophobicContact CZ3-CB 3.24Å; W74-W255 HydrophobicContact CZ3-CG 4.3Å |
| 75 | V | 94 | Very high | 75.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.3 | 170.6 | 170.2 | 0 | 0 | 0 | 0 | 108.9 | E51 V52 V77 S88 L89 V91 F274 V278 | E51-V75 WeakPolarHBondContact O-CA 3.44Å; V52-V75 HydrophobicContact CG2-CG2 4.34Å; V75-V77 HydrophobicContact CG1-CG2 3.95Å; V75-S88 CarbonylContact O-C 3.52Å; V75-S88 WeakPolarHBondContact O-CA 3.45Å; V75-L89 HydrophobicContact CB-CG 4.21Å; V75-L89 HydrophobicContact CG1-CG 4.48Å; V75-L89 PolarHBondContact N-O 2.99Å; V75-L89 PolarHBondContact O-N 2.61Å; V75-V91 HydrophobicContact CG2-CG2 4.05Å; V75-F274 HydrophobicContact CG1-CE1 3.87Å; V75-F274 HydrophobicContact CG2-CE1 4.4Å; V75-V278 HydrophobicContact CG2-CB 4.45Å; V75-V278 HydrophobicContact CG2-CG1 3.69Å; V75-V278 HydrophobicContact CG2-CG2 4.16Å |
| 76 | T | 93.9 | Very high | 78.1 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.1 | 170.7 | 56.4 | 0 | 0 | 0 | 0 | 109.1 | E51 V87 S254 | E51-T76 WeakPolarHBondContact CB-OG1 3.26Å; E51-T76 PolarHBondContact N-O 3.45Å; E51-T76 PolarHBondContact O-N 2.85Å; E51-T76 PolarHBondContact O-OG1 3.2Å; T76-V87 WeakPolarHBondContact CA-O 3.44Å; T76-S254 VanDerWaalsContact CG2-OG 3.23Å; T76-S254 WeakPolarHBondContact CG2-OG 3.49Å |
| 77 | V | 95.4 | Very high | 80.7 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.1 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 107.4 | Y48 L50 V75 F86 V87 L261 L271 | Y48-V77 HydrophobicContact CD2-CG1 4.28Å; Y48-V77 HydrophobicContact CG-CG1 4.18Å; L50-V77 HydrophobicContact CD2-CB 4.3Å; L50-V77 HydrophobicContact CD2-CG1 3.68Å; L50-V77 HydrophobicContact CD2-CG2 4.06Å; V75-V77 HydrophobicContact CG1-CG2 3.95Å; V77-F86 CarbonylContact O-C 3.53Å; V77-F86 WeakPolarHBondContact O-CA 3.26Å; V77-F86 WeakPolarHBondContact O-CB 3.12Å; V77-V87 HydrophobicContact CB-CG2 4.06Å; V77-V87 PolarHBondContact N-O 2.91Å; V77-V87 PolarHBondContact O-N 3.47Å; V77-L261 HydrophobicContact CB-CD2 4.07Å; V77-L261 HydrophobicContact CG1-CD2 3.39Å; V77-L271 HydrophobicContact CG1-CD1 4.38Å; V77-L271 HydrophobicContact CG2-CD1 4.15Å |
| 78 | R | 94.1 | Very high | 83.1 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 47% | 0.468 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 135.2 | -173.8 | 179 | 175.8 | -171.3 | -153.7 | 2 | 110.7 | Y48 V49 Y80 G83 F86 | Y48-R78 CarbonylContact C-O 3.58Å; Y48-R78 VanDerWaalsContact CA-O 3.26Å; Y48-R78 WeakPolarHBondContact CA-O 3.14Å; V49-R78 HydrophobicContact CB-CB 4.48Å; V49-R78 PolarHBondContact N-O 3.39Å; V49-R78 PolarHBondContact O-N 2.64Å; R78-Y80 PolarHBondContact O-N 2.78Å; R78-G83 PolarHBondContact NE-O 3.17Å; R78-G83 PolarHBondContact NH2-O 3.25Å; R78-F86 HydrophobicContact CB-CB 3.87Å; R78-F86 HydrophobicContact CG-CB 4.03Å |
| 79 | D | 93.1 | Very high | 85.4 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 127.1 | 168.3 | -168.8 | -49.4 | 0 | 0 | 0 | 109.4 | Y81 K82 D85 L261 | D79-Y81 VanDerWaalsContact C-N 3.32Å; D79-Y81 WeakPolarHBondContact OD1-CA 3.29Å; D79-Y81 PolarHBondContact OD1-N 3.14Å; D79-K82 HydrophobicContact CB-CB 4.02Å; D79-K82 PolarHBondContact OD1-N 3.33Å; D79-D85 HydrophobicContact CB-CB 3.97Å; D79-D85 PolarHBondContact N-O 2.81Å; D79-L261 HydrophobicContact CB-CD1 4.12Å |
| 80 | Y | 91.1 | Very high | 87.4 | Confident | 106 Ų | 106 | 42.4 Ų | 42.4 | 42% | 0.416 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -70.7 | -29.2 | -177.7 | -178.6 | -98.8 | 0 | 0 | 0 | 112.6 | R37 A47 V49 R78 | R37-Y80 VanDerWaalsContact NH2-CZ 3.29Å; R37-Y80 PolarHBondContact NH2-OH 2.78Å; A47-Y80 HydrophobicContact CB-CD1 4.33Å; A47-Y80 HydrophobicContact CB-CG 4.23Å; A47-Y80 WeakPolarHBondContact O-CB 3.44Å; A47-Y80 PolarHBondContact O-N 3.46Å; V49-Y80 HydrophobicContact CG2-CD2 3.68Å; R78-Y80 PolarHBondContact O-N 2.78Å |
| 81 | Y | 88.5 | Confident | 89 | Confident | 106 Ų | 106 | 39 Ų | 39 | 42% | 0.416 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -98.6 | -52.2 | -177 | -60.9 | -71.3 | 0 | 0 | 0 | 111.3 | R45 A47 D79 G83 | R45-Y81 HydrophobicContact CB-CD2 4.36Å; R45-Y81 HydrophobicContact CB-CE1 4.33Å; R45-Y81 HydrophobicContact CB-CE2 3.6Å; R45-Y81 WeakPolarHBondContact O-CD2 3.45Å; R45-Y81 WeakPolarHBondContact O-CE2 3.44Å; A47-Y81 HydrophobicContact CB-CD2 4.3Å; A47-Y81 HydrophobicContact CB-CE2 3.63Å; D79-Y81 VanDerWaalsContact C-N 3.32Å; D79-Y81 WeakPolarHBondContact OD1-CA 3.29Å; D79-Y81 PolarHBondContact OD1-N 3.14Å; Y81-G83 PolarHBondContact O-N 3.24Å |
| 82 | K | 85.1 | Confident | 90 | Very high | 84 Ų | 84 | 40.4 Ų | 40.4 | 37% | 0.365 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -82.1 | 58.7 | 175.4 | -53.8 | 177.5 | -167.9 | 160.1 | 0 | 110.5 | D79 N84 D85 E262 | D79-K82 HydrophobicContact CB-CB 4.02Å; D79-K82 PolarHBondContact OD1-N 3.33Å; K82-N84 PolarHBondContact O-N 2.95Å; K82-D85 HydrophobicContact CB-CB 4.2Å; K82-D85 WeakPolarHBondContact CD-OD2 3.22Å; K82-D85 IonicContact NZ-OD2 3.71Å; K82-D85 WeakPolarHBondContact O-CB 3.41Å; K82-D85 PolarHBondContact O-N 2.97Å; K82-E262 IonicContact NZ-OE2 3.6Å; K82-E262 PolarHBondContact NZ-OE2 2.85Å |
| 83 | G | 75.6 | Confident | 90.7 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -4.8 | -163.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | R78 Y81 | R78-G83 PolarHBondContact NE-O 3.17Å; R78-G83 PolarHBondContact NH2-O 3.25Å; Y81-G83 PolarHBondContact O-N 3.24Å |
| 84 | N | 83.9 | Confident | 91 | Very high | 139 Ų | 139 | 36.8 Ų | 36.8 | 74% | 0.743 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -17.9 | 169.4 | -64.8 | -15.3 | 0 | 0 | 0 | 113.2 | K82 F86 | K82-N84 PolarHBondContact O-N 2.95Å; N84-F86 WeakPolarHBondContact O-CD1 3.45Å; N84-F86 PolarHBondContact O-N 2.93Å |
| 85 | D | 90.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | trans | -79.3 | 107.5 | 174.8 | -70 | -0.4 | 0 | 0 | 0 | 109.1 | D79 K82 T260 | D79-D85 HydrophobicContact CB-CB 3.97Å; D79-D85 PolarHBondContact N-O 2.81Å; K82-D85 HydrophobicContact CB-CB 4.2Å; K82-D85 WeakPolarHBondContact CD-OD2 3.22Å; K82-D85 IonicContact NZ-OD2 3.71Å; K82-D85 WeakPolarHBondContact O-CB 3.41Å; K82-D85 PolarHBondContact O-N 2.97Å; D85-T260 CarbonylContact C-O 3.47Å; D85-T260 VanDerWaalsContact CA-O 3.24Å; D85-T260 WeakPolarHBondContact CA-O 3.42Å; D85-T260 WeakPolarHBondContact CB-O 3.38Å | ||
| 86 | F | 92.7 | Very high | 91.2 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 159 | 173.6 | 66 | -90.1 | 0 | 0 | 0 | 110.6 | V77 R78 N84 S254 G259 T260 | V77-F86 CarbonylContact O-C 3.53Å; V77-F86 WeakPolarHBondContact O-CA 3.26Å; V77-F86 WeakPolarHBondContact O-CB 3.12Å; R78-F86 HydrophobicContact CB-CB 3.87Å; R78-F86 HydrophobicContact CG-CB 4.03Å; N84-F86 WeakPolarHBondContact O-CD1 3.45Å; N84-F86 PolarHBondContact O-N 2.93Å; F86-S254 WeakPolarHBondContact CE2-O 3.38Å; F86-G259 CarbonylContact O-C 3.6Å; F86-G259 WeakPolarHBondContact O-CA 3.46Å; F86-T260 PolarHBondContact N-O 3.08Å; F86-T260 PolarHBondContact O-N 3.05Å |
| 87 | V | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.8 | 164 | -70.7 | 0 | 0 | 0 | 0 | 110.3 | T76 V77 L89 L217 S219 L261 | T76-V87 WeakPolarHBondContact CA-O 3.44Å; V77-V87 HydrophobicContact CB-CG2 4.06Å; V77-V87 PolarHBondContact N-O 2.91Å; V77-V87 PolarHBondContact O-N 3.47Å; V87-L89 HydrophobicContact CG2-CD2 4.33Å; V87-L217 HydrophobicContact CG1-CB 3.9Å; V87-L217 WeakPolarHBondContact CG1-O 3.43Å; V87-L217 HydrophobicContact CG2-CB 4.15Å; V87-L217 HydrophobicContact CG2-CD1 4.12Å; V87-S219 WeakPolarHBondContact CA-OG 3.37Å; V87-L261 HydrophobicContact CG1-CB 3.91Å; V87-L261 HydrophobicContact CG2-CB 4.08Å; V87-L261 HydrophobicContact CG2-CD2 4.09Å |
| 88 | S | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.5 | 175.5 | -52.8 | 0 | 0 | 0 | 0 | 109.5 | V75 S219 S254 | V75-S88 CarbonylContact O-C 3.52Å; V75-S88 WeakPolarHBondContact O-CA 3.45Å; S88-S219 PolarHBondContact N-OG 3.32Å; S88-S219 WeakPolarHBondContact O-CB 3.38Å; S88-S219 PolarHBondContact O-OG 2.76Å; S88-S254 WeakPolarHBondContact CB-O 3.36Å; S88-S254 WeakPolarHBondContact OG-CB 3.17Å; S88-S254 PolarHBondContact OG-O 3.33Å; S88-S254 PolarHBondContact OG-OG 2.97Å |
| 89 | L | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.1 | 180 | 52.2 | 134.1 | 0 | 0 | 0 | 111.7 | V75 V87 I93 C94 L97 L185 | V75-L89 HydrophobicContact CB-CG 4.21Å; V75-L89 HydrophobicContact CG1-CG 4.48Å; V75-L89 PolarHBondContact N-O 2.99Å; V75-L89 PolarHBondContact O-N 2.61Å; V87-L89 HydrophobicContact CG2-CD2 4.33Å; L89-I93 HydrophobicContact CB-CD1 3.84Å; L89-I93 HydrophobicContact CB-CG1 4Å; L89-I93 HydrophobicContact CD1-CD1 4.47Å; L89-I93 HydrophobicContact CD1-CG1 3.96Å; L89-C94 VanDerWaalsContact CD1-SG 3.5Å; L89-L97 HydrophobicContact CD1-CD2 3.89Å; L89-L97 HydrophobicContact CD2-CD2 4.37Å; L89-L185 HydrophobicContact CD1-CD2 4.43Å; L89-L185 HydrophobicContact CD2-CD1 4.36Å; L89-L185 HydrophobicContact CD2-CD2 4.44Å |
| 90 | P | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 149.4 | 174.8 | 32.9 | -38.7 | 0 | 0 | 0 | 109.8 | W74 S92 I93 C178 T181 C183 | W74-P90 HydrophobicContact CD2-CB 4.17Å; W74-P90 HydrophobicContact CE3-CB 4.41Å; W74-P90 HydrophobicContact CH2-CB 4.39Å; W74-P90 HydrophobicContact CZ2-CB 4.12Å; W74-P90 HydrophobicContact CZ3-CB 4.5Å; P90-S92 WeakPolarHBondContact CB-OG 3.47Å; P90-S92 WeakPolarHBondContact CG-OG 3.46Å; P90-S92 PolarHBondContact O-N 3.34Å; P90-S92 VanDerWaalsContact O-N 3.14Å; P90-I93 HydrophobicContact CG-CD1 4.33Å; P90-I93 HydrophobicContact CG-CG1 4.07Å; P90-I93 HydrophobicContact CG-CG2 4.31Å; P90-I93 WeakPolarHBondContact O-CG1 3.35Å; P90-I93 PolarHBondContact O-N 3.28Å; P90-C178 HydrophobicContact CG-CB 4.19Å; P90-T181 HydrophobicContact CB-CG2 3.8Å; P90-T181 HydrophobicContact CG-CG2 4.24Å; P90-T181 WeakPolarHBondContact CG-OG1 3.33Å; P90-C183 HydrophobicContact CG-CB 4.26Å |
| 91 | V | 91.5 | Very high | 91.7 | Very high | 19 Ų | 19 | 40 Ų | 40 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -26.9 | 179 | 166.2 | 0 | 0 | 0 | 0 | 112.7 | P73 V75 I93 C94 V278 Y282 | P73-V91 HydrophobicContact CB-CG2 3.96Å; P73-V91 HydrophobicContact CG-CB 4.09Å; P73-V91 HydrophobicContact CG-CG2 3.85Å; P73-V91 WeakPolarHBondContact O-CB 3.26Å; P73-V91 VanDerWaalsContact O-CG2 3.24Å; P73-V91 WeakPolarHBondContact O-CG2 3.44Å; P73-V91 PolarHBondContact O-N 2.82Å; V75-V91 HydrophobicContact CG2-CG2 4.05Å; V91-I93 PolarHBondContact O-N 2.94Å; V91-C94 WeakPolarHBondContact O-CB 3.45Å; V91-C94 PolarHBondContact O-N 2.78Å; V91-C94 VanDerWaalsContact O-N 3.09Å; V91-V278 HydrophobicContact CB-CG1 4.38Å; V91-V278 HydrophobicContact CG1-CG1 3.94Å; V91-V278 HydrophobicContact CG2-CG1 3.66Å; V91-Y282 HydrophobicContact CG1-CD2 3.98Å; V91-Y282 HydrophobicContact CG1-CG 4.04Å; V91-Y282 HydrophobicContact CG2-CD2 4.25Å |
| 92 | S | 89.3 | Confident | 92 | Very high | 68 Ų | 68 | 38.6 Ų | 38.6 | 48% | 0.476 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.6 | -31.5 | 175.8 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | P90 C178 | P90-S92 WeakPolarHBondContact CB-OG 3.47Å; P90-S92 WeakPolarHBondContact CG-OG 3.46Å; P90-S92 PolarHBondContact O-N 3.34Å; P90-S92 VanDerWaalsContact O-N 3.14Å; S92-C178 PolarHBondContact OG-SG 3.13Å |
| 93 | I | 93 | Very high | 92.4 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -96.9 | -5.4 | 179.3 | 71.4 | 175.1 | 0 | 0 | 0 | 114.2 | L89 P90 V91 N95 T96 L97 I176 C178 L185 | L89-I93 HydrophobicContact CB-CD1 3.84Å; L89-I93 HydrophobicContact CB-CG1 4Å; L89-I93 HydrophobicContact CD1-CD1 4.47Å; L89-I93 HydrophobicContact CD1-CG1 3.96Å; P90-I93 HydrophobicContact CG-CD1 4.33Å; P90-I93 HydrophobicContact CG-CG1 4.07Å; P90-I93 HydrophobicContact CG-CG2 4.31Å; P90-I93 WeakPolarHBondContact O-CG1 3.35Å; P90-I93 PolarHBondContact O-N 3.28Å; V91-I93 PolarHBondContact O-N 2.94Å; I93-N95 PolarHBondContact O-N 3.4Å; I93-T96 PolarHBondContact O-N 2.84Å; I93-T96 VanDerWaalsContact O-N 3.17Å; I93-L97 PolarHBondContact O-N 2.69Å; I93-I176 HydrophobicContact CB-CG2 4.03Å; I93-I176 HydrophobicContact CD1-CG2 4.38Å; I93-I176 HydrophobicContact CG2-CG2 3.9Å; I93-C178 HydrophobicContact CG2-CB 3.65Å; I93-L185 HydrophobicContact CD1-CB 3.6Å; I93-L185 HydrophobicContact CD1-CD2 3.82Å; I93-L185 HydrophobicContact CD1-CG 4.33Å |
| 94 | C | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -34.1 | -177.7 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | L89 V91 L98 L275 V278 V279 | L89-C94 VanDerWaalsContact CD1-SG 3.5Å; V91-C94 WeakPolarHBondContact O-CB 3.45Å; V91-C94 PolarHBondContact O-N 2.78Å; V91-C94 VanDerWaalsContact O-N 3.09Å; C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 PolarHBondContact O-N 2.76Å; C94-L275 HydrophobicContact CB-CD2 4.38Å; C94-V278 HydrophobicContact CB-CG1 4.45Å; C94-V279 VanDerWaalsContact C-CG2 3.5Å; C94-V279 HydrophobicContact CB-CG2 3.61Å |
| 95 | N | 94.1 | Very high | 93.6 | Very high | 68 Ų | 68 | 32.3 Ų | 32.3 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.5 | -42.5 | 178.3 | -173 | 22.2 | 0 | 0 | 0 | 112 | I93 K99 V279 | I93-N95 PolarHBondContact O-N 3.4Å; N95-K99 WeakPolarHBondContact O-CB 3.47Å; N95-K99 WeakPolarHBondContact O-CG 3.16Å; N95-K99 PolarHBondContact O-N 2.73Å; N95-K99 WeakPolarHBondContact OD1-CE 3.4Å; N95-V279 HydrophobicContact CB-CG1 3.96Å; N95-V279 HydrophobicContact CB-CG2 3.96Å; N95-V279 VanDerWaalsContact N-CG2 3.35Å |
| 96 | T | 95.2 | Very high | 93.5 | Very high | 68 Ų | 68 | 32.8 Ų | 32.8 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 176.6 | -49 | 0 | 0 | 0 | 0 | 110.8 | I93 H100 I176 | I93-T96 PolarHBondContact O-N 2.84Å; I93-T96 VanDerWaalsContact O-N 3.17Å; T96-H100 WeakPolarHBondContact O-CB 3.24Å; T96-H100 PolarHBondContact O-N 2.84Å; T96-I176 HydrophobicContact CG2-CD1 3.82Å; T96-I176 HydrophobicContact CG2-CG1 4.19Å; T96-I176 HydrophobicContact CG2-CG2 4.41Å |
| 97 | L | 96.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 175 | 179.8 | 64.3 | 0 | 0 | 0 | 111.5 | L89 I93 K99 H100 L101 I176 L185 V187 L217 L275 | L89-L97 HydrophobicContact CD1-CD2 3.89Å; L89-L97 HydrophobicContact CD2-CD2 4.37Å; I93-L97 PolarHBondContact O-N 2.69Å; L97-K99 PolarHBondContact O-N 2.78Å; L97-H100 PolarHBondContact O-N 2.81Å; L97-H100 VanDerWaalsContact O-N 3.16Å; L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CD2 4.22Å; L97-L101 HydrophobicContact CD1-CG 3.81Å; L97-L101 HydrophobicContact CD2-CD1 4.34Å; L97-L101 HydrophobicContact CG-CD1 3.82Å; L97-L101 HydrophobicContact CG-CG 4.1Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 WeakPolarHBondContact O-CG 3.18Å; L97-L101 PolarHBondContact O-N 3.33Å; L97-I176 HydrophobicContact CB-CD1 4.5Å; L97-L185 HydrophobicContact CB-CD2 4.35Å; L97-L185 HydrophobicContact CD1-CD2 3.86Å; L97-L185 HydrophobicContact CD2-CD2 3.82Å; L97-L185 HydrophobicContact CG-CD2 4.22Å; L97-V187 HydrophobicContact CD1-CG2 4.43Å; L97-L217 HydrophobicContact CD1-CD2 4Å; L97-L275 HydrophobicContact CD2-CD1 4.01Å; L97-L275 HydrophobicContact CG-CD1 4.3Å |
| 98 | L | 95.8 | Very high | 91.3 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 13% | 0.131 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54 | -51.8 | 178.3 | 174 | 64.9 | 0 | 0 | 0 | 111.5 | C94 H100 L101 M102 L272 L275 A276 V279 | C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 PolarHBondContact O-N 2.76Å; L98-H100 VanDerWaalsContact C-N 3.31Å; L98-H100 PolarHBondContact O-N 2.81Å; L98-L101 PolarHBondContact O-N 3.3Å; L98-M102 WeakPolarHBondContact O-CG 3.26Å; L98-M102 PolarHBondContact O-N 3.2Å; L98-L272 HydrophobicContact CD1-CB 4.26Å; L98-L272 HydrophobicContact CD1-CD2 3.72Å; L98-L272 WeakPolarHBondContact CD1-O 3.39Å; L98-L275 HydrophobicContact CB-CB 4.36Å; L98-L275 HydrophobicContact CD1-CB 4.08Å; L98-A276 HydrophobicContact CD1-CB 4.42Å; L98-A276 HydrophobicContact CD2-CB 3.97Å; L98-V279 HydrophobicContact CD2-CG2 4.31Å |
| 99 | K | 95.7 | Very high | 88.9 | Confident | 140 Ų | 140 | 41.1 Ų | 41.1 | 61% | 0.609 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.7 | -40.9 | 177.6 | -73.2 | 175.3 | 178 | -174.7 | 0 | 112.4 | N95 L97 | N95-K99 WeakPolarHBondContact O-CB 3.47Å; N95-K99 WeakPolarHBondContact O-CG 3.16Å; N95-K99 PolarHBondContact O-N 2.73Å; N95-K99 WeakPolarHBondContact OD1-CE 3.4Å; L97-K99 PolarHBondContact O-N 2.78Å |
| 100 | H | 96.5 | Very high | 86.6 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 11% | 0.111 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.9 | -45.8 | 178.4 | 177.8 | 74.8 | 0 | 0 | 0 | 112.2 | T96 L97 L98 M102 T103 L171 K172 I174 | T96-H100 WeakPolarHBondContact O-CB 3.24Å; T96-H100 PolarHBondContact O-N 2.84Å; L97-H100 PolarHBondContact O-N 2.81Å; L97-H100 VanDerWaalsContact O-N 3.16Å; L98-H100 VanDerWaalsContact C-N 3.31Å; L98-H100 PolarHBondContact O-N 2.81Å; H100-M102 PolarHBondContact O-N 2.93Å; H100-T103 WeakPolarHBondContact O-CB 3.42Å; H100-T103 WeakPolarHBondContact O-CG2 3.34Å; H100-T103 PolarHBondContact O-N 3.12Å; H100-T103 PolarHBondContact O-OG1 3.04Å; H100-L171 WeakPolarHBondContact NE2-CD1 3.39Å; H100-L171 WeakPolarHBondContact O-CD1 3.34Å; H100-K172 PolarHBondContact CE1-O 2.91Å; H100-K172 PolarHBondContact NE2-O 3.43Å; H100-K172 VanDerWaalsContact NE2-O 3.14Å; H100-I174 WeakPolarHBondContact NE2-CG2 2.99Å |
| 101 | L | 95.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64 | -26.9 | 176.7 | -68.5 | -177.4 | 0 | 0 | 0 | 112.7 | L97 L98 T103 C104 L171 L263 M268 L271 L272 L275 | L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CD2 4.22Å; L97-L101 HydrophobicContact CD1-CG 3.81Å; L97-L101 HydrophobicContact CD2-CD1 4.34Å; L97-L101 HydrophobicContact CG-CD1 3.82Å; L97-L101 HydrophobicContact CG-CG 4.1Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 WeakPolarHBondContact O-CG 3.18Å; L97-L101 PolarHBondContact O-N 3.33Å; L98-L101 PolarHBondContact O-N 3.3Å; L101-T103 PolarHBondContact O-N 3.25Å; L101-C104 PolarHBondContact O-SG 3.15Å; L101-L171 HydrophobicContact CD2-CD1 4.31Å; L101-L171 HydrophobicContact CD2-CD2 3.85Å; L101-L263 HydrophobicContact CD2-CD1 4.03Å; L101-M268 HydrophobicContact CB-CE 3.89Å; L101-M268 HydrophobicContact CD2-CE 4.17Å; L101-M268 HydrophobicContact CG-CE 4.41Å; L101-L271 HydrophobicContact CD1-CD2 4.41Å; L101-L272 HydrophobicContact CB-CD2 3.59Å; L101-L272 HydrophobicContact CD1-CD2 4.49Å; L101-L275 HydrophobicContact CD1-CD1 3.96Å |
| 102 | M | 94.1 | Very high | 80.8 | Confident | 76 Ų | 76 | 61 Ų | 61 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -67.2 | -17.9 | 170.8 | -74.5 | -62.5 | -58.1 | 0 | 0 | 113.6 | L98 H100 C104 A105 L272 | L98-M102 WeakPolarHBondContact O-CG 3.26Å; L98-M102 PolarHBondContact O-N 3.2Å; H100-M102 PolarHBondContact O-N 2.93Å; M102-C104 PolarHBondContact O-N 3.12Å; M102-A105 HydrophobicContact CE-CB 4.23Å; M102-A105 VanDerWaalsContact O-CB 3.26Å; M102-A105 WeakPolarHBondContact O-CB 3.33Å; M102-A105 PolarHBondContact O-N 2.87Å; M102-A105 VanDerWaalsContact O-N 3.12Å; M102-L272 HydrophobicContact CG-CD2 4.07Å; M102-L272 HydrophobicContact SD-CD1 3.77Å; M102-L272 HydrophobicContact SD-CD2 3.97Å; M102-L272 HydrophobicContact SD-CG 4.33Å |
| 103 | T | 93.9 | Very high | 77.9 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -69.8 | -14.6 | -179.2 | 66 | 0 | 0 | 0 | 0 | 114.2 | H100 L101 | H100-T103 WeakPolarHBondContact O-CB 3.42Å; H100-T103 WeakPolarHBondContact O-CG2 3.34Å; H100-T103 PolarHBondContact O-N 3.12Å; H100-T103 PolarHBondContact O-OG1 3.04Å; L101-T103 PolarHBondContact O-N 3.25Å |
| 104 | C | 92.5 | Very high | 74.8 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -98.2 | 8.1 | 173.3 | 71 | 0 | 0 | 0 | 0 | 114 | L101 M102 F166 Q167 L170 L171 | L101-C104 PolarHBondContact O-SG 3.15Å; M102-C104 PolarHBondContact O-N 3.12Å; C104-F166 WeakPolarHBondContact O-CA 3.45Å; C104-Q167 WeakPolarHBondContact CB-O 3.41Å; C104-Q167 PolarHBondContact O-N 3.14Å; C104-L170 HydrophobicContact CB-CB 4.23Å; C104-L171 HydrophobicContact CB-CB 4Å; C104-L171 HydrophobicContact CB-CD1 4.16Å |
| 105 | A | 91.5 | Very high | 71.9 | Confident | 29 Ų | 29 | 74.7 Ų | 74.7 | 24% | 0.24 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 125.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | M102 H164 F166 | M102-A105 HydrophobicContact CE-CB 4.23Å; M102-A105 VanDerWaalsContact O-CB 3.26Å; M102-A105 WeakPolarHBondContact O-CB 3.33Å; M102-A105 PolarHBondContact O-N 2.87Å; M102-A105 VanDerWaalsContact O-N 3.12Å; A105-H164 HydrophobicContact CB-CB 4.44Å; A105-F166 HydrophobicContact CB-CD1 4.12Å; A105-F166 HydrophobicContact CB-CE1 3.57Å; A105-F166 HydrophobicContact CB-CZ 4.06Å |
| 106 | T | 88 | Confident | 68.9 | Low | 33 Ų | 33 | 79.5 Ų | 79.5 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.7 | 166.6 | 55.3 | 0 | 0 | 0 | 0 | 109.1 | H164 T165 Q167 L170 | T106-H164 WeakPolarHBondContact O-CA 3.17Å; T106-T165 PolarHBondContact N-O 2.81Å; T106-T165 PolarHBondContact O-N 3.25Å; T106-T165 PolarHBondContact O-OG1 3.05Å; T106-T165 PolarHBondContact OG1-O 2.72Å; T106-T165 VanDerWaalsContact OG1-O 3.13Å; T106-T165 PolarHBondContact OG1-OG1 3.12Å; T106-Q167 HydrophobicContact CG2-CG 4.37Å; T106-L170 HydrophobicContact CG2-CD1 3.66Å |
| 107 | V | 80.7 | Confident | 65.7 | Low | 81 Ų | 81 | 82.9 Ų | 82.9 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.7 | 167.8 | 177.7 | 0 | 0 | 0 | 0 | 106.4 | D109 K162 | V107-D109 PolarHBondContact O-N 3.29Å; V107-K162 HydrophobicContact CG1-CB 3.84Å; V107-K162 HydrophobicContact CG1-CD 3.57Å; V107-K162 HydrophobicContact CG1-CG 4.36Å |
| 108 | G | 60.5 | Low | 62.8 | Low | 17 Ų | 17 | 88.1 Ų | 88.1 | 18% | 0.175 | 50% | 0.497 | C | S | . | . | trans | -65.9 | 97.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H110 K162 | G108-H110 PolarHBondContact O-N 2.96Å; G108-K162 WeakPolarHBondContact O-CD 3.31Å | ||
| 109 | D | 43.6 | Very low | 59.6 | Low | 124 Ų | 124 | 94.8 Ų | 94.8 | 66% | 0.663 | 53% | 0.527 | S | S | * | . | trans | -78.4 | 94.4 | 157.4 | -74.2 | -28.8 | 0 | 0 | 0 | 107.6 | V107 Q111 K162 | V107-D109 PolarHBondContact O-N 3.29Å; D109-Q111 PolarHBondContact O-N 2.87Å; D109-K162 IonicContact OD1-NZ 2.76Å; D109-K162 PolarHBondContact OD1-NZ 3.3Å | ||
| 110 | H | 43.8 | Very low | 56.7 | Low | 181 Ų | 181 | 95.2 Ų | 95.2 | 84% | 0.838 | 54% | 0.535 | S | S | * | . | trans | -63.4 | 94.5 | 156.9 | -76.6 | -68.2 | 0 | 0 | 0 | 107.3 | G108 A112 | G108-H110 PolarHBondContact O-N 2.96Å; H110-A112 PolarHBondContact O-N 2.83Å | ||
| 111 | Q | 31.2 | Very low | 53.4 | Low | 148 Ų | 148 | 101.9 Ų | 101.9 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | trans | -45.5 | 125.1 | 153.4 | -165.1 | 173.5 | -11.8 | 0 | 0 | 106.7 | D109 E113 | D109-Q111 PolarHBondContact O-N 2.87Å; Q111-E113 HydrophobicContact CB-CG 4.31Å; Q111-E113 HydrophobicContact CG-CG 3.87Å; Q111-E113 PolarHBondContact NE2-OE1 3.16Å; Q111-E113 VanDerWaalsContact NE2-OE1 3.15Å; Q111-E113 PolarHBondContact O-N 2.97Å | ||
| 112 | A | 31 | Very low | 50.3 | Low | 108 Ų | 108 | 107.4 Ų | 107.4 | 89% | 0.893 | 60% | 0.604 | S | S | * | * | trans | -75 | 68.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | H110 S114 | H110-A112 PolarHBondContact O-N 2.83Å; A112-S114 PolarHBondContact O-N 2.93Å | ||
| 113 | E | 29.2 | Very low | 47.4 | Very low | 146 Ų | 146 | 108.8 Ų | 108.8 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | trans | -78.1 | 119.3 | 167 | -63.1 | -161.3 | 155.3 | 0 | 0 | 108 | Q111 S115 | Q111-E113 HydrophobicContact CB-CG 4.31Å; Q111-E113 HydrophobicContact CG-CG 3.87Å; Q111-E113 PolarHBondContact NE2-OE1 3.16Å; Q111-E113 VanDerWaalsContact NE2-OE1 3.15Å; Q111-E113 PolarHBondContact O-N 2.97Å; E113-S115 PolarHBondContact O-N 2.84Å | ||
| 114 | S | 27.8 | Very low | 44.4 | Very low | 108 Ų | 108 | 109.5 Ų | 109.5 | 76% | 0.755 | 63% | 0.625 | S | S | * | * | trans | -55.7 | 118.1 | 173.6 | 46.6 | 0 | 0 | 0 | 0 | 112.1 | A112 | A112-S114 PolarHBondContact O-N 2.93Š| ||
| 115 | S | 34 | Very low | 41.4 | Very low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | trans | -126.7 | 98.2 | 133 | 62.1 | 0 | 0 | 0 | 0 | 105.2 | E113 | E113-S115 PolarHBondContact O-N 2.84Š| ||
| 116 | E | 31.2 | Very low | 38.8 | Very low | 170 Ų | 170 | 119.5 Ų | 119.5 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | 57.5 | 128 | 84.1 | -67.5 | -164.2 | 149.4 | 0 | 0 | 112.1 | S118 | E116-S118 PolarHBondContact O-N 2.9Š| |||
| 117 | D | 27.7 | Very low | 35.9 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | -39.3 | 122.9 | -167.9 | -61.9 | -55.6 | 0 | 0 | 0 | 115.6 | E119 | D117-E119 HydrophobicContact CB-CG 4.24Š| ||
| 118 | S | 34.1 | Very low | 33.7 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | -111.1 | 66 | 147 | -64.1 | 0 | 0 | 0 | 0 | 108 | E116 I120 | E116-S118 PolarHBondContact O-N 2.9Å; S118-I120 VanDerWaalsContact C-N 3.29Å; S118-I120 PolarHBondContact O-N 2.87Å | ||
| 119 | E | 28.9 | Very low | 32.2 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -60 | 96.8 | 159.7 | -71.1 | -167.8 | 141.5 | 0 | 0 | 107.7 | D117 E121 | D117-E119 HydrophobicContact CB-CG 4.24Å; E119-E121 PolarHBondContact O-N 3.06Å | ||
| 120 | I | 35.1 | Very low | 31.6 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -78.2 | 84.2 | 166.3 | -55.7 | 177.2 | 0 | 0 | 0 | 106.5 | S118 C122 | S118-I120 VanDerWaalsContact C-N 3.29Å; S118-I120 PolarHBondContact O-N 2.87Å; I120-C122 VanDerWaalsContact C-N 3.3Å; I120-C122 PolarHBondContact O-N 2.82Å | ||
| 121 | E | 26.9 | Very low | 31 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -60 | 88.3 | 168.9 | -172.3 | -176.7 | -168.6 | 0 | 0 | 109.7 | E119 T123 | E119-E121 PolarHBondContact O-N 3.06Å; E121-T123 HydrophobicContact CG-CG2 4.21Å | ||
| 122 | C | 29.9 | Very low | 30.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -89.9 | 101.4 | 163.4 | -84.4 | 0 | 0 | 0 | 0 | 108.5 | I120 | I120-C122 VanDerWaalsContact C-N 3.3Å; I120-C122 PolarHBondContact O-N 2.82Å | ||
| 123 | T | 33.5 | Very low | 30.7 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 64% | 0.638 | 78% | 0.783 | S | S | * | * | trans | -58.8 | 131 | -173.5 | 40.5 | 0 | 0 | 0 | 0 | 114.3 | E121 | E121-T123 HydrophobicContact CG-CG2 4.21Š| ||
| 124 | S | 31.3 | Very low | 30.7 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | 23.7 | 114.1 | 144.6 | 60.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 125 | S | 30 | Very low | 30.6 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | 55.2 | 164.2 | 112.2 | -59.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 126 | P | 36.7 | Very low | 30.5 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | cis | -134.9 | 169.8 | 12.3 | 40.7 | -22.8 | 0 | 0 | 0 | 117.4 | ||||
| 127 | S | 25.9 | Very low | 30.4 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70 | 154.2 | 166.1 | -35.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 128 | P | 34.6 | Very low | 30.6 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 140 | 152.8 | 33.2 | -29.5 | 0 | 0 | 0 | 110.7 | ||
| 129 | K | 28.9 | Very low | 30.3 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 162.1 | 165 | -70.9 | -179.5 | 174.9 | -177.7 | 0 | 110.2 | ||
| 130 | V | 31.4 | Very low | 30.4 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | trans | 141.5 | 129.4 | 136.3 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 131 | G | 32.4 | Very low | 30.2 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 142.6 | 70.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 132 | E | 26.9 | Very low | 30.1 | Very low | 190 Ų | 190 | 129.4 Ų | 129.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -85.9 | 140.7 | 158.6 | -76.9 | 174.5 | 110.3 | 0 | 0 | 109.7 | ||||
| 133 | E | 29.1 | Very low | 29.9 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 148.8 | 144.9 | 131 | -80 | -159.3 | 147.7 | 0 | 0 | 114 | ||||
| 134 | A | 29.3 | Very low | 29.7 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 51.5 | 122 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 135 | S | 25.6 | Very low | 29.6 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | cis | 97.2 | 127.1 | 43.1 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 136 | L | 31.9 | Very low | 29.4 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | 67.3 | 144.6 | 160.3 | -69.5 | 165.8 | 0 | 0 | 0 | 118 | ||||
| 137 | T | 28.4 | Very low | 29.1 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 61% | 0.607 | 80% | 0.801 | S | S | * | * | cis | -157.8 | 174.1 | -16.3 | -21.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 138 | E | 32.2 | Very low | 29.1 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | trans | 60.8 | 99.9 | 149.7 | -75.6 | 158.7 | -142.1 | 0 | 0 | 119.6 | ||||
| 139 | T | 27.6 | Very low | 28.8 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 63.2 | 105.2 | 87.6 | 61.5 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 140 | S | 31.5 | Very low | 28.7 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | -177.2 | 152 | 129.5 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 141 | G | 29.6 | Very low | 28.5 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | 87.6 | 77.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 142 | E | 25.5 | Very low | 28.3 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | 49.8 | 134.7 | 127.7 | -139.2 | 165.3 | -176.4 | 0 | 0 | 122.5 | |||||
| 143 | T | 26.4 | Very low | 28.3 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 88.9 | 136.9 | 169.5 | 73 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 144 | V | 28 | Very low | 28.2 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | 63.8 | 84 | 170.5 | -161 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 145 | S | 28.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -104.1 | 79.7 | 159.5 | 66 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 146 | Q | 26.2 | Very low | 28 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -87 | 97.1 | 156 | -179.3 | -179.2 | 0.4 | 0 | 0 | 107.6 | ||||
| 147 | V | 31 | Very low | 28 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -135.5 | 98.4 | 170.4 | -178.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 148 | E | 26.6 | Very low | 28 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | 62.3 | 56.8 | 80.2 | -157.5 | 168.4 | -132.8 | 0 | 0 | 112.8 | |||||
| 149 | G | 28 | Very low | 28.2 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -102.3 | 86.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A151 | G149-A151 PolarHBondContact O-N 2.82Š| ||
| 150 | G | 25.9 | Very low | 28.7 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | -69 | 60.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K152 | G150-K152 VanDerWaalsContact C-N 3.26Å; G150-K152 PolarHBondContact O-N 2.95Å | ||
| 151 | A | 27.5 | Very low | 29.7 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | -67.7 | 86.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G149 V153 | G149-A151 PolarHBondContact O-N 2.82Å; A151-V153 PolarHBondContact O-N 2.86Å | ||
| 152 | K | 27.9 | Very low | 31 | Very low | 191 Ų | 191 | 128.2 Ų | 128.2 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | -64.5 | 86 | 169.8 | -162.3 | 176.1 | -168.6 | 176 | 0 | 107.4 | G150 T154 | G150-K152 VanDerWaalsContact C-N 3.26Å; G150-K152 PolarHBondContact O-N 2.95Å; K152-T154 PolarHBondContact O-N 2.83Å | ||
| 153 | V | 27.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | trans | -65.9 | 82.6 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | A151 K155 | A151-V153 PolarHBondContact O-N 2.86Å; V153-K155 HydrophobicContact CG1-CG 4.27Å; V153-K155 PolarHBondContact O-N 3.05Å | ||
| 154 | T | 26.5 | Very low | 35.6 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | -58.2 | 95.5 | 158.7 | 46.6 | 0 | 0 | 0 | 0 | 106 | K152 K156 | K152-T154 PolarHBondContact O-N 2.83Å; T154-K156 PolarHBondContact O-N 2.9Å | ||
| 155 | K | 26.6 | Very low | 38.5 | Very low | 179 Ų | 179 | 119 Ų | 119 | 78% | 0.778 | 71% | 0.711 | S | S | * | * | trans | -60.3 | 90.4 | 168.4 | -74.4 | -179.6 | 176.2 | 173.5 | 0 | 107.2 | V153 V157 | V153-K155 HydrophobicContact CG1-CG 4.27Å; V153-K155 PolarHBondContact O-N 3.05Å; K155-V157 HydrophobicContact CB-CG2 4.17Å; K155-V157 PolarHBondContact O-N 2.74Å | ||
| 156 | K | 25 | Very low | 41.4 | Very low | 193 Ų | 193 | 114.8 Ų | 114.8 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | trans | -58.6 | 89.7 | 153.3 | -94.2 | -176.1 | 171.9 | 177.7 | 0 | 105.4 | T154 S158 | T154-K156 PolarHBondContact O-N 2.9Å; K156-S158 PolarHBondContact O-N 3.35Å | ||
| 157 | V | 30.4 | Very low | 44.5 | Very low | 114 Ų | 114 | 110.5 Ų | 110.5 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | -72.5 | 77 | 166.3 | -177.9 | 0 | 0 | 0 | 0 | 105.8 | K155 S159 | K155-V157 HydrophobicContact CB-CG2 4.17Å; K155-V157 PolarHBondContact O-N 2.74Å; V157-S159 PolarHBondContact O-N 2.98Å | ||
| 158 | S | 28.9 | Very low | 47.4 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | trans | -74.3 | 75.4 | 173.7 | 57.4 | 0 | 0 | 0 | 0 | 108.9 | K156 | K156-S158 PolarHBondContact O-N 3.35Š| ||
| 159 | S | 36.9 | Very low | 50.5 | Low | 80 Ų | 80 | 98.5 Ų | 98.5 | 56% | 0.559 | 60% | 0.599 | S | S | * | * | trans | -122 | 89.4 | 162.5 | 60.9 | 0 | 0 | 0 | 0 | 107.8 | V157 V161 | V157-S159 PolarHBondContact O-N 2.98Å; S159-V161 PolarHBondContact O-N 3.36Å | ||
| 160 | G | 37.1 | Very low | 53.5 | Low | 89 Ų | 89 | 99 Ų | 99 | 92% | 0.918 | 59% | 0.585 | S | S | * | * | trans | -70.3 | 42.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | K162 | G160-K162 PolarHBondContact O-N 2.96Š| ||
| 161 | V | 52.2 | Low | 56.7 | Low | 113 Ų | 113 | 95.3 Ų | 95.3 | 69% | 0.685 | 55% | 0.546 | S | S | * | . | trans | -88.6 | 99 | 171.7 | -175.7 | 0 | 0 | 0 | 0 | 106.7 | S159 | S159-V161 PolarHBondContact O-N 3.36Š| ||
| 162 | K | 56.9 | Low | 59.8 | Low | 103 Ų | 103 | 99.1 Ų | 99.1 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -48.6 | 123.9 | 173.3 | -78.8 | 177.9 | 167.6 | 177.8 | 0 | 109 | V107 G108 D109 G160 H164 | V107-K162 HydrophobicContact CG1-CB 3.84Å; V107-K162 HydrophobicContact CG1-CD 3.57Å; V107-K162 HydrophobicContact CG1-CG 4.36Å; G108-K162 WeakPolarHBondContact O-CD 3.31Å; D109-K162 IonicContact OD1-NZ 2.76Å; D109-K162 PolarHBondContact OD1-NZ 3.3Å; G160-K162 PolarHBondContact O-N 2.96Å; K162-H164 PolarHBondContact O-N 2.65Å; K162-H164 PolarHBondContact O-ND1 3Å |
| 163 | P | 70.9 | Confident | 63 | Low | 104 Ų | 104 | 94.4 Ų | 94.4 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 130.7 | -178.5 | 25.6 | -33.6 | 0 | 0 | 0 | 109.4 | T165 | P163-T165 PolarHBondContact O-N 3.37Š|
| 164 | H | 78.8 | Confident | 66.2 | Low | 80 Ų | 80 | 91.6 Ų | 91.6 | 37% | 0.37 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124.6 | 177.2 | -65 | 1.6 | 0 | 0 | 0 | 109.7 | A105 T106 K162 F166 | A105-H164 HydrophobicContact CB-CB 4.44Å; T106-H164 WeakPolarHBondContact O-CA 3.17Å; K162-H164 PolarHBondContact O-N 2.65Å; K162-H164 PolarHBondContact O-ND1 3Å; H164-F166 HydrophobicContact CB-CE2 3.82Å; H164-F166 HydrophobicContact CB-CZ 3.98Å; H164-F166 WeakPolarHBondContact O-CE2 3.34Å |
| 165 | T | 87.7 | Confident | 69.4 | Low | 68 Ų | 68 | 94 Ų | 94 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 144.6 | 167.2 | 39 | 0 | 0 | 0 | 0 | 108.8 | T106 P163 | T106-T165 PolarHBondContact N-O 2.81Å; T106-T165 PolarHBondContact O-N 3.25Å; T106-T165 PolarHBondContact O-OG1 3.05Å; T106-T165 PolarHBondContact OG1-O 2.72Å; T106-T165 VanDerWaalsContact OG1-O 3.13Å; T106-T165 PolarHBondContact OG1-OG1 3.12Å; P163-T165 PolarHBondContact O-N 3.37Å |
| 166 | F | 90 | Very high | 72.7 | Confident | 27 Ų | 27 | 86.2 Ų | 86.2 | 12% | 0.118 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.1 | -176.5 | -71.5 | -88.1 | 0 | 0 | 0 | 110 | C104 A105 H164 M268 P269 L272 | C104-F166 WeakPolarHBondContact O-CA 3.45Å; A105-F166 HydrophobicContact CB-CD1 4.12Å; A105-F166 HydrophobicContact CB-CE1 3.57Å; A105-F166 HydrophobicContact CB-CZ 4.06Å; H164-F166 HydrophobicContact CB-CE2 3.82Å; H164-F166 HydrophobicContact CB-CZ 3.98Å; H164-F166 WeakPolarHBondContact O-CE2 3.34Å; F166-M268 HydrophobicContact CB-CB 4.01Å; F166-M268 HydrophobicContact CB-CG 4.23Å; F166-M268 HydrophobicContact CD1-CB 3.91Å; F166-M268 HydrophobicContact CD1-CE 4.2Å; F166-M268 HydrophobicContact CD1-CG 4.48Å; F166-M268 HydrophobicContact CD2-CB 3.99Å; F166-M268 HydrophobicContact CE1-CB 4.43Å; F166-M268 HydrophobicContact CG-CB 3.66Å; F166-M268 HydrophobicContact CG-CG 4.33Å; F166-P269 HydrophobicContact CD2-CG 3.89Å; F166-P269 HydrophobicContact CE2-CB 4.2Å; F166-P269 HydrophobicContact CE2-CG 3.7Å; F166-L272 HydrophobicContact CD1-CD1 4.1Å; F166-L272 HydrophobicContact CE1-CD1 3.18Å; F166-L272 HydrophobicContact CE2-CD1 4.35Å; F166-L272 HydrophobicContact CZ-CD1 3.34Å |
| 167 | Q | 91.8 | Very high | 75.9 | Confident | 94 Ų | 94 | 80.3 Ų | 80.3 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | trans | -110.2 | 95.1 | 179.7 | -70.6 | -177.5 | -4.9 | 0 | 0 | 109.4 | C104 T106 S169 L170 | C104-Q167 WeakPolarHBondContact CB-O 3.41Å; C104-Q167 PolarHBondContact O-N 3.14Å; T106-Q167 HydrophobicContact CG2-CG 4.37Å; Q167-S169 PolarHBondContact O-N 3.05Å; Q167-S169 VanDerWaalsContact O-N 3.07Å; Q167-L170 HydrophobicContact CB-CD1 3.98Å; Q167-L170 HydrophobicContact CB-CG 3.99Å; Q167-L170 WeakPolarHBondContact O-CB 3.18Å; Q167-L170 PolarHBondContact O-N 3.03Å | ||
| 168 | L | 92.3 | Very high | 78.7 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 4% | 0.042 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -59.8 | -22.9 | -175.8 | -67.4 | 178.8 | 0 | 0 | 0 | 113.3 | L170 L171 D213 R215 L263 A265 M268 | L168-L170 PolarHBondContact O-N 3.33Å; L168-L171 VanDerWaalsContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.33Å; L168-D213 WeakPolarHBondContact CB-O 3.1Å; L168-D213 WeakPolarHBondContact CD1-O 3.47Å; L168-R215 HydrophobicContact CB-CG 3.96Å; L168-R215 WeakPolarHBondContact O-CG 3.32Å; L168-R215 PolarHBondContact O-NE 3.14Å; L168-R215 VanDerWaalsContact O-NE 3.14Å; L168-R215 PolarHBondContact O-NH2 3.07Å; L168-L263 HydrophobicContact CD1-CB 4.21Å; L168-L263 WeakPolarHBondContact CD1-O 3.47Å; L168-L263 HydrophobicContact CD2-CB 4.35Å; L168-A265 HydrophobicContact CD1-CB 4.11Å; L168-A265 HydrophobicContact CG-CB 4.11Å; L168-M268 HydrophobicContact CD2-CG 4.19Å; L168-M268 HydrophobicContact CD2-SD 4.17Å |
| 169 | S | 91.2 | Very high | 81.5 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -55.3 | -34.1 | 170.2 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | Q167 L171 P212 R215 | Q167-S169 PolarHBondContact O-N 3.05Å; Q167-S169 VanDerWaalsContact O-N 3.07Å; S169-L171 VanDerWaalsContact C-N 3.3Å; S169-L171 PolarHBondContact O-N 3.49Å; S169-P212 WeakPolarHBondContact CA-O 3.39Å; S169-P212 WeakPolarHBondContact CB-O 3.38Å; S169-R215 PolarHBondContact O-NH2 3.3Å |
| 170 | L | 92.4 | Very high | 83.7 | Confident | 81 Ų | 81 | 77.4 Ų | 77.4 | 42% | 0.424 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -74.6 | -17.6 | 176.7 | -57.7 | -179.6 | 0 | 0 | 0 | 113.6 | C104 T106 Q167 L168 K172 | C104-L170 HydrophobicContact CB-CB 4.23Å; T106-L170 HydrophobicContact CG2-CD1 3.66Å; Q167-L170 HydrophobicContact CB-CD1 3.98Å; Q167-L170 HydrophobicContact CB-CG 3.99Å; Q167-L170 WeakPolarHBondContact O-CB 3.18Å; Q167-L170 PolarHBondContact O-N 3.03Å; L168-L170 PolarHBondContact O-N 3.33Å; L170-K172 PolarHBondContact O-N 3.47Å; L170-K172 VanDerWaalsContact O-N 3.12Å |
| 171 | L | 92.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | trans | -73.5 | 106.7 | -176.1 | -165.2 | 67.5 | 0 | 0 | 0 | 110.1 | H100 L101 C104 L168 S169 V187 R215 L263 | H100-L171 WeakPolarHBondContact NE2-CD1 3.39Å; H100-L171 WeakPolarHBondContact O-CD1 3.34Å; L101-L171 HydrophobicContact CD2-CD1 4.31Å; L101-L171 HydrophobicContact CD2-CD2 3.85Å; C104-L171 HydrophobicContact CB-CB 4Å; C104-L171 HydrophobicContact CB-CD1 4.16Å; L168-L171 VanDerWaalsContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.33Å; S169-L171 VanDerWaalsContact C-N 3.3Å; S169-L171 PolarHBondContact O-N 3.49Å; L171-V187 HydrophobicContact CD2-CG1 3.6Å; L171-V187 HydrophobicContact CG-CG1 4.01Å; L171-R215 HydrophobicContact CB-CG 4.19Å; L171-R215 HydrophobicContact CD2-CB 4.24Å; L171-R215 HydrophobicContact CD2-CG 4.13Å; L171-R215 PolarHBondContact O-NE 2.94Å; L171-L263 HydrophobicContact CD2-CD1 3.97Å | ||
| 172 | K | 92.7 | Very high | 87.5 | Confident | 163 Ų | 163 | 70.2 Ų | 70.2 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | trans | -70.8 | 145.7 | 178.4 | -64 | -176.5 | -179.3 | -179.7 | 0 | 110.8 | H100 L170 | H100-K172 PolarHBondContact CE1-O 2.91Å; H100-K172 PolarHBondContact NE2-O 3.43Å; H100-K172 VanDerWaalsContact NE2-O 3.14Å; L170-K172 PolarHBondContact O-N 3.47Å; L170-K172 VanDerWaalsContact O-N 3.12Å | ||
| 173 | P | 93.6 | Very high | 89 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 60% | 0.597 | 35% | 0.354 | S | S | * | . | trans | -59 | 141.8 | 171.8 | -23.9 | 34.5 | 0 | 0 | 0 | 112.4 | V187 | P173-V187 WeakPolarHBondContact CA-O 3.33Å; P173-V187 WeakPolarHBondContact CB-O 3.33Å | ||
| 174 | I | 95.7 | Very high | 90.1 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 147.8 | 174.9 | -167.3 | 170.4 | 0 | 0 | 0 | 110.1 | H100 I176 E186 V187 | H100-I174 WeakPolarHBondContact NE2-CG2 2.99Å; I174-I176 HydrophobicContact CD1-CG1 4.36Å; I174-I176 HydrophobicContact CG1-CG1 4.36Å; I174-E186 CarbonylContact O-C 3.36Å; I174-E186 WeakPolarHBondContact O-CA 3.33Å; I174-V187 HydrophobicContact CG2-CB 3.87Å; I174-V187 HydrophobicContact CG2-CG2 3.54Å; I174-V187 PolarHBondContact N-O 2.91Å; I174-V187 VanDerWaalsContact N-O 3.14Å; I174-V187 PolarHBondContact O-N 2.96Å |
| 175 | R | 94.8 | Very high | 90.9 | Very high | 164 Ų | 164 | 57.4 Ų | 57.4 | 62% | 0.619 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.2 | 169 | -169.9 | 179.1 | -177 | -159.9 | 2.5 | 109.5 | ||
| 176 | I | 94.4 | Very high | 91.2 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.1 | 178.2 | -55.2 | 171.3 | 0 | 0 | 0 | 107.4 | I93 T96 L97 I174 T184 L185 | I93-I176 HydrophobicContact CB-CG2 4.03Å; I93-I176 HydrophobicContact CD1-CG2 4.38Å; I93-I176 HydrophobicContact CG2-CG2 3.9Å; T96-I176 HydrophobicContact CG2-CD1 3.82Å; T96-I176 HydrophobicContact CG2-CG1 4.19Å; T96-I176 HydrophobicContact CG2-CG2 4.41Å; L97-I176 HydrophobicContact CB-CD1 4.5Å; I174-I176 HydrophobicContact CD1-CG1 4.36Å; I174-I176 HydrophobicContact CG1-CG1 4.36Å; I176-T184 WeakPolarHBondContact O-CA 3.39Å; I176-L185 PolarHBondContact N-O 2.89Å; I176-L185 PolarHBondContact O-N 3.47Å |
| 177 | V | 92.8 | Very high | 91.5 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 42% | 0.418 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.6 | 178.2 | -177 | 0 | 0 | 0 | 0 | 108.8 | E179 T184 L222 | V177-E179 HydrophobicContact CG1-CG 4.21Å; V177-T184 HydrophobicContact CG1-CG2 4.31Å; V177-T184 HydrophobicContact CG2-CG2 4.18Å; V177-L222 HydrophobicContact CG1-CD1 4.3Å; V177-L222 HydrophobicContact CG1-CD2 4.46Å |
| 178 | C | 89.8 | Confident | 91.6 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 9% | 0.088 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 94 | 170.4 | -163.9 | 0 | 0 | 0 | 0 | 109 | P90 S92 I93 A180 T181 G182 C183 | P90-C178 HydrophobicContact CG-CB 4.19Å; S92-C178 PolarHBondContact OG-SG 3.13Å; I93-C178 HydrophobicContact CG2-CB 3.65Å; C178-A180 VanDerWaalsContact C-N 3.32Å; C178-A180 PolarHBondContact O-N 2.85Å; C178-T181 PolarHBondContact O-N 2.82Å; C178-G182 WeakPolarHBondContact O-CA 3.42Å; C178-G182 PolarHBondContact O-N 2.87Å; C178-C183 HydrophobicContact CB-CB 4.47Å; C178-C183 PolarHBondContact N-O 3.02Å; C178-C183 PolarHBondContact O-N 2.91Å |
| 179 | E | 86 | Confident | 91.5 | Very high | 165 Ų | 165 | 53.3 Ų | 53.3 | 77% | 0.771 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.2 | -41.8 | 179.9 | -61.2 | -177.6 | 165.5 | 0 | 0 | 111.6 | V177 T181 G182 | V177-E179 HydrophobicContact CG1-CG 4.21Å; E179-T181 PolarHBondContact O-N 2.92Å; E179-T181 VanDerWaalsContact O-N 3.16Å; E179-G182 PolarHBondContact O-N 2.93Å |
| 180 | A | 83.3 | Confident | 91.2 | Very high | 73 Ų | 73 | 60.7 Ų | 60.7 | 60% | 0.603 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -56.5 | -33.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V58 C178 | V58-A180 WeakPolarHBondContact CG1-O 3.38Å; C178-A180 VanDerWaalsContact C-N 3.32Å; C178-A180 PolarHBondContact O-N 2.85Å |
| 181 | T | 83.5 | Confident | 90.8 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -107.7 | 3 | 178.5 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | V58 P90 C178 E179 C183 | V58-T181 HydrophobicContact CG2-CG2 4.28Å; P90-T181 HydrophobicContact CB-CG2 3.8Å; P90-T181 HydrophobicContact CG-CG2 4.24Å; P90-T181 WeakPolarHBondContact CG-OG1 3.33Å; C178-T181 PolarHBondContact O-N 2.82Å; E179-T181 PolarHBondContact O-N 2.92Å; E179-T181 VanDerWaalsContact O-N 3.16Å; T181-C183 VanDerWaalsContact C-N 3.34Å; T181-C183 PolarHBondContact O-N 2.84Å; T181-C183 WeakPolarHBondContact OG1-CB 3.3Å |
| 182 | G | 85.7 | Confident | 90.2 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 27% | 0.268 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 46.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C178 E179 P221 L222 | C178-G182 WeakPolarHBondContact O-CA 3.42Å; C178-G182 PolarHBondContact O-N 2.87Å; E179-G182 PolarHBondContact O-N 2.93Å; G182-P221 WeakPolarHBondContact O-CA 3.35Å; G182-L222 WeakPolarHBondContact O-CB 3.13Å; G182-L222 PolarHBondContact O-N 2.97Å |
| 183 | C | 89.5 | Confident | 89.3 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 144.3 | -178.1 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | W74 P90 C178 T181 | W74-C183 HydrophobicContact CH2-CB 3.85Å; W74-C183 HydrophobicContact CZ3-CB 4.35Å; P90-C183 HydrophobicContact CG-CB 4.26Å; C178-C183 HydrophobicContact CB-CB 4.47Å; C178-C183 PolarHBondContact N-O 3.02Å; C178-C183 PolarHBondContact O-N 2.91Å; T181-C183 VanDerWaalsContact C-N 3.34Å; T181-C183 PolarHBondContact O-N 2.84Å; T181-C183 WeakPolarHBondContact OG1-CB 3.3Å |
| 184 | T | 93.3 | Very high | 87.6 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.7 | 170.2 | 62.4 | 0 | 0 | 0 | 0 | 110 | I176 V177 S219 A220 L222 | I176-T184 WeakPolarHBondContact O-CA 3.39Å; V177-T184 HydrophobicContact CG1-CG2 4.31Å; V177-T184 HydrophobicContact CG2-CG2 4.18Å; T184-S219 CarbonylContact O-C 3.43Å; T184-S219 WeakPolarHBondContact O-CA 3.48Å; T184-A220 PolarHBondContact N-O 3.42Å; T184-A220 PolarHBondContact O-N 3.05Å; T184-A220 PolarHBondContact OG1-O 2.9Å; T184-L222 HydrophobicContact CG2-CB 4.18Å; T184-L222 HydrophobicContact CG2-CD1 3.6Å; T184-L222 HydrophobicContact CG2-CG 4.5Å |
| 185 | L | 95.1 | Very high | 85.5 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127.9 | 174.1 | -175.6 | 74.3 | 0 | 0 | 0 | 108.8 | L89 I93 L97 I176 I218 | L89-L185 HydrophobicContact CD1-CD2 4.43Å; L89-L185 HydrophobicContact CD2-CD1 4.36Å; L89-L185 HydrophobicContact CD2-CD2 4.44Å; I93-L185 HydrophobicContact CD1-CB 3.6Å; I93-L185 HydrophobicContact CD1-CD2 3.82Å; I93-L185 HydrophobicContact CD1-CG 4.33Å; L97-L185 HydrophobicContact CB-CD2 4.35Å; L97-L185 HydrophobicContact CD1-CD2 3.86Å; L97-L185 HydrophobicContact CD2-CD2 3.82Å; L97-L185 HydrophobicContact CG-CD2 4.22Å; I176-L185 PolarHBondContact N-O 2.89Å; I176-L185 PolarHBondContact O-N 3.47Å; L185-I218 CarbonylContact C-O 3.11Å; L185-I218 WeakPolarHBondContact CA-O 3.38Å |
| 186 | E | 94.8 | Very high | 82.8 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.1 | 179.4 | -166.3 | 179.3 | 148.5 | 0 | 0 | 110.6 | I174 T188 L217 I218 | I174-E186 CarbonylContact O-C 3.36Å; I174-E186 WeakPolarHBondContact O-CA 3.33Å; E186-T188 HydrophobicContact CG-CG2 4.29Å; E186-L217 CarbonylContact O-C 3.6Å; E186-L217 WeakPolarHBondContact O-CA 3.47Å; E186-I218 HydrophobicContact CB-CB 4.35Å; E186-I218 PolarHBondContact N-O 2.86Å; E186-I218 PolarHBondContact O-N 3.43Å |
| 187 | V | 95.3 | Very high | 79.9 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.2 | 165.6 | -173.5 | 0 | 0 | 0 | 0 | 106.9 | L97 L171 P173 I174 W216 L217 | L97-V187 HydrophobicContact CD1-CG2 4.43Å; L171-V187 HydrophobicContact CD2-CG1 3.6Å; L171-V187 HydrophobicContact CG-CG1 4.01Å; P173-V187 WeakPolarHBondContact CA-O 3.33Å; P173-V187 WeakPolarHBondContact CB-O 3.33Å; I174-V187 HydrophobicContact CG2-CB 3.87Å; I174-V187 HydrophobicContact CG2-CG2 3.54Å; I174-V187 PolarHBondContact N-O 2.91Å; I174-V187 VanDerWaalsContact N-O 3.14Å; I174-V187 PolarHBondContact O-N 2.96Å; V187-W216 WeakPolarHBondContact CA-O 3.38Å; V187-L217 HydrophobicContact CG2-CD2 3.72Å |
| 188 | T | 93.8 | Very high | 77 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 149.6 | -176.8 | 153.4 | 0 | 0 | 0 | 0 | 112 | E186 R190 R215 W216 I218 | E186-T188 HydrophobicContact CG-CG2 4.29Å; T188-R190 PolarHBondContact OG1-N 2.69Å; T188-R190 PolarHBondContact OG1-O 2.86Å; T188-R215 WeakPolarHBondContact O-CA 3.46Å; T188-W216 HydrophobicContact CG2-CB 4.46Å; T188-W216 PolarHBondContact N-O 2.8Å; T188-W216 PolarHBondContact O-N 3.04Å; T188-I218 HydrophobicContact CG2-CD1 3.46Å; T188-I218 VanDerWaalsContact CG2-CD1 3.46Å; T188-I218 HydrophobicContact CG2-CG1 3.94Å |
| 189 | A | 90.6 | Very high | 74.4 | Confident | 22 Ų | 22 | 75.4 Ų | 75.4 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -87.3 | -19.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | A210 | A189-A210 HydrophobicContact CB-CB 4.27Š|
| 190 | R | 86.3 | Confident | 71.9 | Confident | 201 Ų | 201 | 75.2 Ų | 75.2 | 76% | 0.758 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -78 | 130 | 175.6 | -65.9 | -177.6 | 178.1 | -178.3 | -0.5 | 109.3 | T188 P192 | T188-R190 PolarHBondContact OG1-N 2.69Å; T188-R190 PolarHBondContact OG1-O 2.86Å; R190-P192 WeakPolarHBondContact O-CD 3.32Å |
| 191 | N | 83.4 | Confident | 69.5 | Low | 93 Ų | 93 | 75.9 Ų | 75.9 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | trans | -61.1 | 122 | 172.3 | -175.9 | -12.2 | 0 | 0 | 0 | 109.4 | L193 | N191-L193 PolarHBondContact OD1-N 2.84Š| ||
| 192 | P | 80.1 | Confident | 67.1 | Low | 25 Ų | 25 | 84.7 Ų | 84.7 | 16% | 0.162 | 46% | 0.455 | C | S | . | . | trans | -83.6 | -12.6 | -177.5 | 33.4 | -35.7 | 0 | 0 | 0 | 114.3 | R190 W216 I218 T260 | R190-P192 WeakPolarHBondContact O-CD 3.32Å; P192-W216 VanDerWaalsContact CD-CG 3.44Å; P192-W216 HydrophobicContact CG-CB 4.23Å; P192-W216 HydrophobicContact CG-CD2 4.02Å; P192-W216 HydrophobicContact CG-CE3 3.89Å; P192-W216 HydrophobicContact CG-CG 4.17Å; P192-I218 HydrophobicContact CB-CD1 3.55Å; P192-I218 HydrophobicContact CB-CG1 4.23Å; P192-I218 HydrophobicContact CG-CD1 4.03Å; P192-I218 HydrophobicContact CG-CG1 4.2Å; P192-T260 HydrophobicContact CB-CG2 4.06Å; P192-T260 HydrophobicContact CG-CG2 3.67Å | ||
| 193 | L | 74.4 | Confident | 64.3 | Low | 78 Ų | 78 | 89.8 Ų | 89.8 | 41% | 0.408 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -74.6 | 127.3 | 171.2 | -70.4 | 105.8 | 0 | 0 | 0 | 108.6 | N191 K195 W216 | N191-L193 PolarHBondContact OD1-N 2.84Å; L193-K195 PolarHBondContact O-N 3.41Å; L193-W216 HydrophobicContact CD1-CE3 4.43Å; L193-W216 HydrophobicContact CD1-CH2 3.53Å; L193-W216 HydrophobicContact CD1-CZ2 4.4Å; L193-W216 HydrophobicContact CD1-CZ3 3.54Å |
| 194 | P | 56.5 | Low | 61.7 | Low | 88 Ų | 88 | 94.6 Ų | 94.6 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 130.1 | 172.3 | 26.9 | -33.2 | 0 | 0 | 0 | 108.3 | H196 I241 | P194-H196 PolarHBondContact O-N 2.72Å; P194-I241 HydrophobicContact CG-CD1 3.95Å |
| 195 | K | 52.6 | Low | 59 | Low | 147 Ų | 147 | 100.5 Ų | 100.5 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 126.7 | 161.5 | -70.2 | -177.1 | 176.2 | -177.2 | 0 | 106.1 | L193 T197 | L193-K195 PolarHBondContact O-N 3.41Å; K195-T197 PolarHBondContact O-N 3.48Å |
| 196 | H | 37 | Very low | 56.2 | Low | 193 Ų | 193 | 107.2 Ų | 107.2 | 89% | 0.894 | 57% | 0.57 | S | S | * | * | trans | -63.8 | 88.1 | 158.7 | -90.4 | -83.6 | 0 | 0 | 0 | 106.7 | P194 S198 | P194-H196 PolarHBondContact O-N 2.72Å; H196-S198 PolarHBondContact O-N 3.02Å | ||
| 197 | T | 33.3 | Very low | 53.8 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 73% | 0.73 | 59% | 0.592 | S | S | * | * | trans | -61.7 | 106.3 | 159 | 46.3 | 0 | 0 | 0 | 0 | 105.3 | K195 T199 | K195-T197 PolarHBondContact O-N 3.48Å; T197-T199 PolarHBondContact O-N 3.44Å; T197-T199 VanDerWaalsContact O-N 3.14Å | ||
| 198 | S | 33.7 | Very low | 51.8 | Low | 94 Ų | 94 | 114.5 Ų | 114.5 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | trans | -48.3 | 122.4 | 161.7 | 45.5 | 0 | 0 | 0 | 0 | 107.4 | H196 N200 | H196-S198 PolarHBondContact O-N 3.02Å; S198-N200 PolarHBondContact O-N 3.02Å | ||
| 199 | T | 35 | Very low | 50 | Low | 128 Ų | 128 | 122.7 Ų | 122.7 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -47.2 | 132.4 | 167.5 | 44 | 0 | 0 | 0 | 0 | 108.5 | T197 | T197-T199 PolarHBondContact O-N 3.44Å; T197-T199 VanDerWaalsContact O-N 3.14Å |
| 200 | N | 31.8 | Very low | 49 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 86% | 0.861 | 67% | 0.666 | S | S | * | * | trans | 93.7 | 64.7 | -173.4 | -46 | -15.3 | 0 | 0 | 0 | 115.3 | S198 | S198-N200 PolarHBondContact O-N 3.02Š| ||
| 201 | S | 33.5 | Very low | 48.6 | Very low | 87 Ų | 87 | 117.2 Ų | 117.2 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | trans | -156.8 | 104.9 | 147.4 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | E203 | S201-E203 PolarHBondContact O-N 2.91Å; S201-E203 VanDerWaalsContact O-N 3.14Å | ||
| 202 | E | 32.9 | Very low | 48.5 | Very low | 209 Ų | 209 | 116.6 Ų | 116.6 | 98% | 0.977 | 65% | 0.647 | S | S | * | * | trans | -77.6 | 77.6 | 159.6 | -72.5 | -172.9 | 137.9 | 0 | 0 | 108.4 | ||||
| 203 | E | 27.3 | Very low | 48.7 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 62% | 0.621 | 67% | 0.665 | S | S | * | * | trans | -104.3 | 143.9 | 158.2 | -98.4 | -157.5 | 111.6 | 0 | 0 | 109.8 | S201 | S201-E203 PolarHBondContact O-N 2.91Å; S201-E203 VanDerWaalsContact O-N 3.14Å | ||
| 204 | P | 34.2 | Very low | 49.4 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | trans | -61.8 | 150.7 | -179.4 | 28.9 | -35.4 | 0 | 0 | 0 | 109.6 | Q206 | P204-Q206 PolarHBondContact O-N 3Š| ||
| 205 | T | 37.1 | Very low | 51.2 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 85% | 0.853 | 64% | 0.64 | S | S | * | * | trans | -59.1 | 75 | -176.6 | -40.3 | 0 | 0 | 0 | 0 | 112.7 | T207 | T205-T207 PolarHBondContact O-N 3.18Š| ||
| 206 | Q | 37.2 | Very low | 53.2 | Low | 143 Ų | 143 | 110.9 Ų | 110.9 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | trans | -57.8 | 116.4 | 168.3 | -74.3 | -168.6 | 19.6 | 0 | 0 | 106.2 | P204 V208 | P204-Q206 PolarHBondContact O-N 3Å; Q206-V208 VanDerWaalsContact C-N 3.29Å; Q206-V208 PolarHBondContact O-N 3.3Å | ||
| 207 | T | 43.7 | Very low | 56 | Low | 131 Ų | 131 | 101.9 Ų | 101.9 | 80% | 0.804 | 57% | 0.57 | S | S | * | * | trans | -58.6 | 94.5 | 177.3 | 31.6 | 0 | 0 | 0 | 0 | 108 | T205 Q209 | T205-T207 PolarHBondContact O-N 3.18Å; T207-Q209 PolarHBondContact O-N 2.7Å | ||
| 208 | V | 53.2 | Low | 58.9 | Low | 98 Ų | 98 | 96.9 Ų | 96.9 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | trans | -49.4 | 105.1 | -173.2 | 176 | 0 | 0 | 0 | 0 | 108.5 | Q206 A210 | Q206-V208 VanDerWaalsContact C-N 3.29Å; Q206-V208 PolarHBondContact O-N 3.3Å; V208-A210 PolarHBondContact O-N 3.16Å | ||
| 209 | Q | 56.6 | Low | 61.8 | Low | 185 Ų | 185 | 92.5 Ų | 92.5 | 86% | 0.864 | 51% | 0.508 | S | S | * | . | trans | -64 | 114.7 | -171.3 | -160.1 | 172.7 | 12 | 0 | 0 | 106.7 | T207 D211 | T207-Q209 PolarHBondContact O-N 2.7Å; Q209-D211 PolarHBondContact O-N 2.81Å | ||
| 210 | A | 69.5 | Low | 64.5 | Low | 43 Ų | 43 | 87.5 Ų | 87.5 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | trans | -65 | 122.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | A189 V208 P212 | A189-A210 HydrophobicContact CB-CB 4.27Å; V208-A210 PolarHBondContact O-N 3.16Å; A210-P212 WeakPolarHBondContact O-CD 3.23Å; A210-P212 VanDerWaalsContact O-N 3.07Å | ||
| 211 | D | 78.5 | Confident | 67.1 | Low | 64 Ų | 64 | 82.4 Ų | 82.4 | 34% | 0.342 | 46% | 0.455 | S | S | . | . | trans | -51.6 | 113.7 | 174.1 | -178.2 | -22 | 0 | 0 | 0 | 108.3 | Q209 D213 K214 | Q209-D211 PolarHBondContact O-N 2.81Å; D211-D213 PolarHBondContact O-N 3.04Å; D211-D213 VanDerWaalsContact O-N 3.13Å; D211-D213 PolarHBondContact OD1-N 3.15Å; D211-K214 HydrophobicContact CB-CB 4.16Å; D211-K214 HydrophobicContact CB-CD 4.13Å; D211-K214 HydrophobicContact CB-CG 4.24Å; D211-K214 PolarHBondContact O-N 3.08Å; D211-K214 VanDerWaalsContact O-N 3.13Å; D211-K214 WeakPolarHBondContact OD2-CD 3.17Å; D211-K214 WeakPolarHBondContact OD2-CE 3.39Å; D211-K214 IonicContact OD2-NZ 3.47Å; D211-K214 PolarHBondContact OD2-NZ 3.17Å | ||
| 212 | P | 80.1 | Confident | 69.5 | Low | 80 Ų | 80 | 81 Ų | 81 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.4 | -167.5 | 24.1 | -34 | 0 | 0 | 0 | 111.7 | S169 A210 R215 | S169-P212 WeakPolarHBondContact CA-O 3.39Å; S169-P212 WeakPolarHBondContact CB-O 3.38Å; A210-P212 WeakPolarHBondContact O-CD 3.23Å; A210-P212 VanDerWaalsContact O-N 3.07Å; P212-R215 PolarHBondContact O-NH1 3.4Å; P212-R215 PolarHBondContact O-NH2 3.16Å |
| 213 | D | 84 | Confident | 71.2 | Confident | 102 Ų | 102 | 80 Ų | 80 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.7 | -175.7 | -65.5 | -31 | 0 | 0 | 0 | 113.5 | L168 D211 | L168-D213 WeakPolarHBondContact CB-O 3.1Å; L168-D213 WeakPolarHBondContact CD1-O 3.47Å; D211-D213 PolarHBondContact O-N 3.04Å; D211-D213 VanDerWaalsContact O-N 3.13Å; D211-D213 PolarHBondContact OD1-N 3.15Å |
| 214 | K | 89.6 | Confident | 72.4 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 37% | 0.37 | 44% | 0.441 | S | S | . | . | trans | -98.8 | 136.9 | 178.2 | -70.5 | -178 | -177.9 | 140.7 | 0 | 112.8 | D211 E262 | D211-K214 HydrophobicContact CB-CB 4.16Å; D211-K214 HydrophobicContact CB-CD 4.13Å; D211-K214 HydrophobicContact CB-CG 4.24Å; D211-K214 PolarHBondContact O-N 3.08Å; D211-K214 VanDerWaalsContact O-N 3.13Å; D211-K214 WeakPolarHBondContact OD2-CD 3.17Å; D211-K214 WeakPolarHBondContact OD2-CE 3.39Å; D211-K214 IonicContact OD2-NZ 3.47Å; D211-K214 PolarHBondContact OD2-NZ 3.17Å; K214-E262 VanDerWaalsContact CD-OE1 3.28Å; K214-E262 WeakPolarHBondContact CD-OE1 3.39Å; K214-E262 WeakPolarHBondContact CE-OE1 3.4Å | ||
| 215 | R | 93.6 | Very high | 72.6 | Confident | 20 Ų | 20 | 85.3 Ų | 85.3 | 8% | 0.075 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.8 | 173.8 | -66.6 | -67.4 | -179.7 | -78.9 | -3.3 | 109.3 | L168 S169 L171 T188 P212 L263 | L168-R215 HydrophobicContact CB-CG 3.96Å; L168-R215 WeakPolarHBondContact O-CG 3.32Å; L168-R215 PolarHBondContact O-NE 3.14Å; L168-R215 VanDerWaalsContact O-NE 3.14Å; L168-R215 PolarHBondContact O-NH2 3.07Å; S169-R215 PolarHBondContact O-NH2 3.3Å; L171-R215 HydrophobicContact CB-CG 4.19Å; L171-R215 HydrophobicContact CD2-CB 4.24Å; L171-R215 HydrophobicContact CD2-CG 4.13Å; L171-R215 PolarHBondContact O-NE 2.94Å; T188-R215 WeakPolarHBondContact O-CA 3.46Å; P212-R215 PolarHBondContact O-NH1 3.4Å; P212-R215 PolarHBondContact O-NH2 3.16Å; R215-L263 HydrophobicContact CB-CB 4.32Å; R215-L263 HydrophobicContact CB-CD1 4.07Å; R215-L263 WeakPolarHBondContact O-CB 3.46Å; R215-L263 PolarHBondContact O-N 3.28Å |
| 216 | W | 94.6 | Very high | 72.7 | Confident | 12 Ų | 12 | 87.1 Ų | 87.1 | 5% | 0.045 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.8 | -177.9 | -66.8 | 81.5 | 0 | 0 | 0 | 109.8 | V187 T188 P192 L193 L261 E262 | V187-W216 WeakPolarHBondContact CA-O 3.38Å; T188-W216 HydrophobicContact CG2-CB 4.46Å; T188-W216 PolarHBondContact N-O 2.8Å; T188-W216 PolarHBondContact O-N 3.04Å; P192-W216 VanDerWaalsContact CD-CG 3.44Å; P192-W216 HydrophobicContact CG-CB 4.23Å; P192-W216 HydrophobicContact CG-CD2 4.02Å; P192-W216 HydrophobicContact CG-CE3 3.89Å; P192-W216 HydrophobicContact CG-CG 4.17Å; L193-W216 HydrophobicContact CD1-CE3 4.43Å; L193-W216 HydrophobicContact CD1-CH2 3.53Å; L193-W216 HydrophobicContact CD1-CZ2 4.4Å; L193-W216 HydrophobicContact CD1-CZ3 3.54Å; W216-L261 CarbonylContact C-O 3.58Å; W216-L261 WeakPolarHBondContact CA-O 3.31Å; W216-E262 HydrophobicContact CD2-CB 4.26Å; W216-E262 HydrophobicContact CE3-CB 4.03Å; W216-E262 HydrophobicContact CH2-CB 3.81Å; W216-E262 HydrophobicContact CH2-CG 4.3Å; W216-E262 HydrophobicContact CZ2-CB 4.03Å; W216-E262 HydrophobicContact CZ2-CG 4.03Å; W216-E262 HydrophobicContact CZ3-CB 3.81Å |
| 217 | L | 95.9 | Very high | 72.3 | Confident | 3 Ų | 3 | 87.6 Ų | 87.6 | 2% | 0.016 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 137.4 | 160.2 | -68.8 | 176.8 | 0 | 0 | 0 | 109.1 | V87 L97 E186 V187 T260 L261 L263 | V87-L217 HydrophobicContact CG1-CB 3.9Å; V87-L217 WeakPolarHBondContact CG1-O 3.43Å; V87-L217 HydrophobicContact CG2-CB 4.15Å; V87-L217 HydrophobicContact CG2-CD1 4.12Å; L97-L217 HydrophobicContact CD1-CD2 4Å; E186-L217 CarbonylContact O-C 3.6Å; E186-L217 WeakPolarHBondContact O-CA 3.47Å; V187-L217 HydrophobicContact CG2-CD2 3.72Å; L217-T260 CarbonylContact O-C 3.6Å; L217-T260 WeakPolarHBondContact O-CA 3.32Å; L217-L261 HydrophobicContact CB-CB 4.45Å; L217-L261 PolarHBondContact N-O 2.85Å; L217-L261 PolarHBondContact O-N 3.04Å; L217-L263 HydrophobicContact CD1-CD2 3.81Å; L217-L263 HydrophobicContact CD1-CG 4.45Å; L217-L263 HydrophobicContact CD2-CD1 4.46Å; L217-L263 HydrophobicContact CG-CD1 4.11Å; L217-L263 HydrophobicContact CG-CD2 4.02Å; L217-L263 HydrophobicContact CG-CG 4.09Å |
| 218 | I | 94.7 | Very high | 71.8 | Confident | 15 Ų | 15 | 87.9 Ų | 87.9 | 8% | 0.077 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 117.7 | 173.3 | -47.7 | 178.6 | 0 | 0 | 0 | 107.9 | L185 E186 T188 P192 R258 G259 T260 | L185-I218 CarbonylContact C-O 3.11Å; L185-I218 WeakPolarHBondContact CA-O 3.38Å; E186-I218 HydrophobicContact CB-CB 4.35Å; E186-I218 PolarHBondContact N-O 2.86Å; E186-I218 PolarHBondContact O-N 3.43Å; T188-I218 HydrophobicContact CG2-CD1 3.46Å; T188-I218 VanDerWaalsContact CG2-CD1 3.46Å; T188-I218 HydrophobicContact CG2-CG1 3.94Å; P192-I218 HydrophobicContact CB-CD1 3.55Å; P192-I218 HydrophobicContact CB-CG1 4.23Å; P192-I218 HydrophobicContact CG-CD1 4.03Å; P192-I218 HydrophobicContact CG-CG1 4.2Å; I218-R258 HydrophobicContact CG2-CG 4.26Å; I218-G259 CarbonylContact C-O 3.56Å; I218-G259 WeakPolarHBondContact CA-O 3.49Å; I218-T260 HydrophobicContact CG1-CG2 4.33Å; I218-T260 HydrophobicContact CG2-CG2 4.23Å |
| 219 | S | 94.2 | Very high | 70.7 | Confident | 2 Ų | 2 | 88.2 Ų | 88.2 | 1% | 0.014 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.5 | 169.7 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | V87 S88 T184 R258 G259 | V87-S219 WeakPolarHBondContact CA-OG 3.37Å; S88-S219 PolarHBondContact N-OG 3.32Å; S88-S219 WeakPolarHBondContact O-CB 3.38Å; S88-S219 PolarHBondContact O-OG 2.76Å; T184-S219 CarbonylContact O-C 3.43Å; T184-S219 WeakPolarHBondContact O-CA 3.48Å; S219-R258 CarbonylContact O-C 3.53Å; S219-R258 VanDerWaalsContact O-CA 3.3Å; S219-R258 WeakPolarHBondContact O-CA 3.18Å; S219-G259 PolarHBondContact N-O 2.92Å; S219-G259 PolarHBondContact O-N 2.77Å |
| 220 | A | 91.5 | Very high | 69.4 | Low | 22 Ų | 22 | 84 Ų | 84 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 145.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | T184 L222 R258 | T184-A220 PolarHBondContact N-O 3.42Å; T184-A220 PolarHBondContact O-N 3.05Å; T184-A220 PolarHBondContact OG1-O 2.9Å; A220-L222 PolarHBondContact O-N 3.44Å; A220-R258 HydrophobicContact CB-CB 4.39Å; A220-R258 HydrophobicContact CB-CG 4.25Å |
| 221 | P | 87.8 | Confident | 67.4 | Low | 54 Ų | 54 | 90 Ų | 90 | 35% | 0.351 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 139.2 | 165.4 | 26.7 | -33.8 | 0 | 0 | 0 | 109.3 | G182 E223 | G182-P221 WeakPolarHBondContact O-CA 3.35Å; P221-E223 PolarHBondContact O-N 2.83Å |
| 222 | L | 82.5 | Confident | 65.1 | Low | 59 Ų | 59 | 90.3 Ų | 90.3 | 31% | 0.309 | 49% | 0.491 | S | S | . | . | trans | -64.2 | 120.8 | 174.4 | -178.7 | 67.4 | 0 | 0 | 0 | 107.8 | V177 G182 T184 A220 V224 | V177-L222 HydrophobicContact CG1-CD1 4.3Å; V177-L222 HydrophobicContact CG1-CD2 4.46Å; G182-L222 WeakPolarHBondContact O-CB 3.13Å; G182-L222 PolarHBondContact O-N 2.97Å; T184-L222 HydrophobicContact CG2-CB 4.18Å; T184-L222 HydrophobicContact CG2-CD1 3.6Å; T184-L222 HydrophobicContact CG2-CG 4.5Å; A220-L222 PolarHBondContact O-N 3.44Å; L222-V224 VanDerWaalsContact C-N 3.32Å; L222-V224 PolarHBondContact O-N 3.22Å | ||
| 223 | E | 70 | Confident | 62.7 | Low | 188 Ų | 188 | 96 Ų | 96 | 88% | 0.879 | 51% | 0.511 | S | S | * | . | trans | -62 | 96.9 | 172.2 | -72.1 | -176.4 | 172.9 | 0 | 0 | 109.2 | P221 R225 | P221-E223 PolarHBondContact O-N 2.83Å; E223-R225 PolarHBondContact O-N 3.17Å | ||
| 224 | V | 52.4 | Low | 60.1 | Low | 120 Ų | 120 | 99.6 Ų | 99.6 | 73% | 0.727 | 53% | 0.525 | S | S | * | . | trans | -61.7 | 106.8 | 166.2 | -179.8 | 0 | 0 | 0 | 0 | 105.6 | L222 K226 | L222-V224 VanDerWaalsContact C-N 3.32Å; L222-V224 PolarHBondContact O-N 3.22Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 2.78Å | ||
| 225 | R | 38.3 | Very low | 57.1 | Low | 227 Ų | 227 | 101.2 Ų | 101.2 | 86% | 0.857 | 54% | 0.541 | S | S | * | . | trans | -49.3 | 103.1 | 166.8 | -96.3 | -176.4 | 170.1 | 148.8 | -3.4 | 107.2 | E223 N227 | E223-R225 PolarHBondContact O-N 3.17Å; R225-N227 PolarHBondContact O-N 2.76Å | ||
| 226 | K | 39.4 | Very low | 54.3 | Low | 176 Ų | 176 | 108.3 Ų | 108.3 | 77% | 0.765 | 58% | 0.58 | S | S | * | * | trans | -61.2 | 113.1 | 160.5 | -76.9 | -177.2 | 176.8 | 176.1 | 0 | 104.8 | V224 N228 | V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 2.78Å; K226-N228 PolarHBondContact O-N 2.72Å | ||
| 227 | N | 27.3 | Very low | 51.2 | Low | 153 Ų | 153 | 114.1 Ų | 114.1 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | trans | -67.3 | 74.2 | 164.8 | -75.5 | -9.7 | 0 | 0 | 0 | 107.6 | R225 S229 | R225-N227 PolarHBondContact O-N 2.76Å; N227-S229 PolarHBondContact O-N 3.13Å | ||
| 228 | N | 33.8 | Very low | 48.1 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | trans | -69.3 | 100.1 | 165.2 | -78.2 | 6.5 | 0 | 0 | 0 | 106 | K226 S230 | K226-N228 PolarHBondContact O-N 2.72Å; N228-S230 PolarHBondContact O-N 2.99Å; N228-S230 VanDerWaalsContact O-N 3.15Å | ||
| 229 | S | 30.1 | Very low | 45 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -55 | 116.6 | 162.4 | 51.1 | 0 | 0 | 0 | 0 | 108.9 | N227 | N227-S229 PolarHBondContact O-N 3.13Š| ||
| 230 | S | 29.3 | Very low | 42 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 33.8 | 128.7 | 151.4 | 58.9 | 0 | 0 | 0 | 0 | 119.7 | N228 | N228-S230 PolarHBondContact O-N 2.99Å; N228-S230 VanDerWaalsContact O-N 3.15Å |
| 231 | N | 27.7 | Very low | 39.2 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | 88.3 | 101.5 | 161.8 | -53 | -5 | 0 | 0 | 0 | 115.3 | ||||
| 232 | G | 30.8 | Very low | 36.6 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 162.2 | 76.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q234 | G232-Q234 PolarHBondContact O-N 2.93Å; G232-Q234 VanDerWaalsContact O-N 3.13Å | ||
| 233 | E | 28.2 | Very low | 34 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -56.8 | 111.4 | 176.1 | -171.2 | 169.4 | -150.1 | 0 | 0 | 109.7 | ||||
| 234 | Q | 29.4 | Very low | 32.3 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -134.8 | 117 | 171.4 | -72.5 | -168.8 | 1.5 | 0 | 0 | 109 | G232 L236 | G232-Q234 PolarHBondContact O-N 2.93Å; G232-Q234 VanDerWaalsContact O-N 3.13Å; Q234-L236 PolarHBondContact O-N 2.88Å | ||
| 235 | T | 27.5 | Very low | 31.4 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -61.3 | 125.3 | 172.1 | 40.2 | 0 | 0 | 0 | 0 | 109.9 | D237 | T235-D237 VanDerWaalsContact C-N 3.29Å; T235-D237 PolarHBondContact O-N 2.98Å | ||
| 236 | L | 35.2 | Very low | 31.2 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -80.8 | 75.4 | 176.8 | -84.6 | 162.2 | 0 | 0 | 0 | 110.4 | Q234 | Q234-L236 PolarHBondContact O-N 2.88Š| ||
| 237 | D | 29.8 | Very low | 30.9 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 131 | 169.4 | -74.7 | -39.3 | 0 | 0 | 0 | 110.9 | T235 S239 | T235-D237 VanDerWaalsContact C-N 3.29Å; T235-D237 PolarHBondContact O-N 2.98Å; D237-S239 PolarHBondContact O-N 3.26Å | ||
| 238 | S | 29.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -80.8 | 77.4 | -171.5 | -69.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 239 | S | 29.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -148.2 | 52.6 | 174.1 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | D237 | D237-S239 PolarHBondContact O-N 3.26Š| ||
| 240 | G | 31.5 | Very low | 32.6 | Very low | 79 Ų | 79 | 124.7 Ų | 124.7 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | -94.4 | 29.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 241 | I | 33.4 | Very low | 33.7 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 67% | 0.672 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -98.2 | 97.3 | 174.5 | -61.7 | 176.7 | 0 | 0 | 0 | 109.3 | P194 | P194-I241 HydrophobicContact CG-CD1 3.95Š|
| 242 | G | 31.9 | Very low | 35.4 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 102 | 156 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 243 | S | 28 | Very low | 37.3 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | 72.3 | 64 | 172.7 | -157.5 | 0 | 0 | 0 | 0 | 118.2 | T245 | S243-T245 PolarHBondContact O-N 3.46Å; S243-T245 VanDerWaalsContact OG-CG2 3.26Å; S243-T245 WeakPolarHBondContact OG-CG2 3.12Å | ||
| 244 | T | 36 | Very low | 39.5 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | -74.8 | 72.2 | 150 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | N246 | T244-N246 VanDerWaalsContact C-N 3.25Å; T244-N246 PolarHBondContact O-N 2.86Å | ||
| 245 | T | 32.4 | Very low | 41.9 | Very low | 121 Ų | 121 | 113.9 Ų | 113.9 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | trans | -74.6 | 74.2 | 173.5 | 39.2 | 0 | 0 | 0 | 0 | 111.6 | S243 | S243-T245 PolarHBondContact O-N 3.46Å; S243-T245 VanDerWaalsContact OG-CG2 3.26Å; S243-T245 WeakPolarHBondContact OG-CG2 3.12Å | ||
| 246 | N | 35.2 | Very low | 44.5 | Very low | 153 Ų | 153 | 112.4 Ų | 112.4 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -104.7 | 122 | 159.7 | -84.1 | -33.3 | 0 | 0 | 0 | 108.9 | T244 S248 | T244-N246 VanDerWaalsContact C-N 3.25Å; T244-N246 PolarHBondContact O-N 2.86Å; N246-S248 PolarHBondContact O-N 2.85Å; N246-S248 VanDerWaalsContact O-N 3.1Å | ||
| 247 | G | 32.1 | Very low | 46.8 | Very low | 92 Ų | 92 | 106 Ų | 106 | 95% | 0.948 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -67.2 | 104.9 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 248 | S | 34 | Very low | 49.6 | Very low | 88 Ų | 88 | 106.5 Ų | 106.5 | 62% | 0.615 | 63% | 0.634 | S | S | * | * | trans | -169.3 | 137.9 | 145.1 | -169.3 | 0 | 0 | 0 | 0 | 108.2 | N246 R250 | N246-S248 PolarHBondContact O-N 2.85Å; N246-S248 VanDerWaalsContact O-N 3.1Å; S248-R250 PolarHBondContact O-N 2.89Å | ||
| 249 | G | 43.5 | Very low | 52.5 | Low | 88 Ų | 88 | 100.2 Ų | 100.2 | 91% | 0.907 | 59% | 0.59 | S | S | * | * | trans | -70.9 | 38.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R251 | G249-R251 PolarHBondContact O-N 3.42Š| ||
| 250 | R | 49.7 | Very low | 55.6 | Low | 218 Ų | 218 | 96.4 Ų | 96.4 | 82% | 0.823 | 56% | 0.563 | S | S | * | * | trans | -69.1 | 127.2 | 171.4 | -71.2 | -171.6 | 173.5 | -138.5 | -1.6 | 108.3 | S248 Q252 | S248-R250 PolarHBondContact O-N 2.89Å; R250-Q252 PolarHBondContact O-N 2.84Å | ||
| 251 | R | 51.4 | Low | 58.6 | Low | 231 Ų | 231 | 92.7 Ų | 92.7 | 87% | 0.872 | 52% | 0.524 | S | S | * | . | trans | -60.7 | 112.1 | 168.4 | -65.6 | -175.9 | -176.8 | -161.5 | -0.2 | 107.5 | G249 F253 | G249-R251 PolarHBondContact O-N 3.42Å; R251-F253 PolarHBondContact O-N 2.88Å | ||
| 252 | Q | 64 | Low | 61.5 | Low | 104 Ų | 104 | 87.7 Ų | 87.7 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | trans | -65.9 | 129.9 | 177.1 | -162 | 169.2 | -0.1 | 0 | 0 | 108.2 | R250 E256 T257 | R250-Q252 PolarHBondContact O-N 2.84Å; Q252-E256 HydrophobicContact CG-CB 3.83Å; Q252-E256 PolarHBondContact NE2-O 2.9Å; Q252-T257 VanDerWaalsContact CD-CG2 3.44Å; Q252-T257 HydrophobicContact CG-CG2 3.82Å | ||
| 253 | F | 72.1 | Confident | 64.5 | Low | 89 Ų | 89 | 84.7 Ų | 84.7 | 39% | 0.39 | 47% | 0.466 | S | S | . | . | trans | -75.9 | 153.4 | -178.9 | -65.6 | -85.2 | 0 | 0 | 0 | 110.2 | R251 W255 E256 | R251-F253 PolarHBondContact O-N 2.88Å; F253-W255 HydrophobicContact CB-CD2 3.74Å; F253-W255 HydrophobicContact CB-CE3 4.27Å; F253-W255 HydrophobicContact CB-CG 4.24Å; F253-W255 HydrophobicContact CB-CH2 4.03Å; F253-W255 HydrophobicContact CB-CZ2 3.44Å; F253-W255 VanDerWaalsContact CB-CZ2 3.44Å; F253-W255 HydrophobicContact CB-CZ3 4.41Å; F253-W255 AromaticContact CD1-CH2 3.53Å; F253-W255 HydrophobicContact CD1-CH2 3.53Å; F253-W255 AromaticContact CD1-CZ2 3.4Å; F253-W255 HydrophobicContact CD1-CZ2 3.4Å; F253-W255 HydrophobicContact CD1-CZ3 4.39Å; F253-W255 HydrophobicContact CD2-CZ2 4.03Å; F253-W255 HydrophobicContact CE1-CH2 4.2Å; F253-W255 HydrophobicContact CE1-CZ2 4.1Å; F253-W255 AromaticContact CG-CE2 3.71Å; F253-W255 AromaticContact CG-CH2 3.95Å; F253-W255 HydrophobicContact CG-CH2 3.95Å; F253-W255 AromaticContact CG-CZ2 3.35Å; F253-W255 HydrophobicContact CG-CZ2 3.35Å; F253-W255 PolarHBondContact O-N 2.8Å; F253-E256 HydrophobicContact CB-CG 4.13Å; F253-E256 PolarHBondContact N-OE2 3.25Å; F253-E256 WeakPolarHBondContact O-CB 3.41Å; F253-E256 PolarHBondContact O-N 3.47Å | ||
| 254 | S | 73.2 | Confident | 67.6 | Low | 31 Ų | 31 | 81.3 Ų | 81.3 | 22% | 0.217 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13 | -173.7 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | T76 F86 S88 T257 | T76-S254 VanDerWaalsContact CG2-OG 3.23Å; T76-S254 WeakPolarHBondContact CG2-OG 3.49Å; F86-S254 WeakPolarHBondContact CE2-O 3.38Å; S88-S254 WeakPolarHBondContact CB-O 3.36Å; S88-S254 WeakPolarHBondContact OG-CB 3.17Å; S88-S254 PolarHBondContact OG-O 3.33Å; S88-S254 PolarHBondContact OG-OG 2.97Å; S254-T257 PolarHBondContact O-OG1 2.74Å |
| 255 | W | 80.4 | Confident | 70.2 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 12% | 0.117 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10.9 | 172.4 | 53.7 | 76.8 | 0 | 0 | 0 | 114.3 | E54 W74 F253 T257 | E54-W255 WeakPolarHBondContact O-CH2 3.46Å; W74-W255 HydrophobicContact CB-CE3 4.2Å; W74-W255 HydrophobicContact CD2-CB 3.94Å; W74-W255 HydrophobicContact CD2-CD2 4.44Å; W74-W255 HydrophobicContact CD2-CE3 4.38Å; W74-W255 HydrophobicContact CD2-CG 4.29Å; W74-W255 HydrophobicContact CE3-CB 3.41Å; W74-W255 VanDerWaalsContact CE3-CB 3.41Å; W74-W255 HydrophobicContact CE3-CG 4.24Å; W74-W255 HydrophobicContact CG-CE3 4.21Å; W74-W255 HydrophobicContact CH2-CB 3.61Å; W74-W255 HydrophobicContact CH2-CG 4.37Å; W74-W255 HydrophobicContact CZ2-CB 4.12Å; W74-W255 HydrophobicContact CZ2-CG 4.44Å; W74-W255 HydrophobicContact CZ3-CB 3.24Å; W74-W255 HydrophobicContact CZ3-CG 4.3Å; F253-W255 HydrophobicContact CB-CD2 3.74Å; F253-W255 HydrophobicContact CB-CE3 4.27Å; F253-W255 HydrophobicContact CB-CG 4.24Å; F253-W255 HydrophobicContact CB-CH2 4.03Å; F253-W255 HydrophobicContact CB-CZ2 3.44Å; F253-W255 VanDerWaalsContact CB-CZ2 3.44Å; F253-W255 HydrophobicContact CB-CZ3 4.41Å; F253-W255 AromaticContact CD1-CH2 3.53Å; F253-W255 HydrophobicContact CD1-CH2 3.53Å; F253-W255 AromaticContact CD1-CZ2 3.4Å; F253-W255 HydrophobicContact CD1-CZ2 3.4Å; F253-W255 HydrophobicContact CD1-CZ3 4.39Å; F253-W255 HydrophobicContact CD2-CZ2 4.03Å; F253-W255 HydrophobicContact CE1-CH2 4.2Å; F253-W255 HydrophobicContact CE1-CZ2 4.1Å; F253-W255 AromaticContact CG-CE2 3.71Å; F253-W255 AromaticContact CG-CH2 3.95Å; F253-W255 HydrophobicContact CG-CH2 3.95Å; F253-W255 AromaticContact CG-CZ2 3.35Å; F253-W255 HydrophobicContact CG-CZ2 3.35Å; F253-W255 PolarHBondContact O-N 2.8Å; W255-T257 VanDerWaalsContact C-N 3.34Å |
| 256 | E | 80.9 | Confident | 73 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -91.9 | 0.1 | 177.2 | -59.9 | 173.6 | 156.9 | 0 | 0 | 112.2 | Q252 F253 | Q252-E256 HydrophobicContact CG-CB 3.83Å; Q252-E256 PolarHBondContact NE2-O 2.9Å; F253-E256 HydrophobicContact CB-CG 4.13Å; F253-E256 PolarHBondContact N-OE2 3.25Å; F253-E256 WeakPolarHBondContact O-CB 3.41Å; F253-E256 PolarHBondContact O-N 3.47Å |
| 257 | T | 83.3 | Confident | 75.8 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -121.1 | 153.1 | -176.6 | 42.5 | 0 | 0 | 0 | 0 | 110.5 | Q252 S254 W255 G259 | Q252-T257 VanDerWaalsContact CD-CG2 3.44Å; Q252-T257 HydrophobicContact CG-CG2 3.82Å; S254-T257 PolarHBondContact O-OG1 2.74Å; W255-T257 VanDerWaalsContact C-N 3.34Å; T257-G259 PolarHBondContact O-N 3.44Å |
| 258 | R | 90.2 | Very high | 78.7 | Confident | 144 Ų | 144 | 62.1 Ų | 62.1 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | trans | -70.8 | 126.6 | 164.1 | -177.8 | 176.6 | 178 | -162.7 | -2.5 | 108.3 | I218 S219 A220 | I218-R258 HydrophobicContact CG2-CG 4.26Å; S219-R258 CarbonylContact O-C 3.53Å; S219-R258 VanDerWaalsContact O-CA 3.3Å; S219-R258 WeakPolarHBondContact O-CA 3.18Å; A220-R258 HydrophobicContact CB-CB 4.39Å; A220-R258 HydrophobicContact CB-CG 4.25Å | ||
| 259 | G | 91.1 | Very high | 81.5 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | F86 I218 S219 T257 | F86-G259 CarbonylContact O-C 3.6Å; F86-G259 WeakPolarHBondContact O-CA 3.46Å; I218-G259 CarbonylContact C-O 3.56Å; I218-G259 WeakPolarHBondContact CA-O 3.49Å; S219-G259 PolarHBondContact N-O 2.92Å; S219-G259 PolarHBondContact O-N 2.77Å; T257-G259 PolarHBondContact O-N 3.44Å |
| 260 | T | 93.9 | Very high | 83.9 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.3 | 176.8 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | D85 F86 P192 L217 I218 | D85-T260 CarbonylContact C-O 3.47Å; D85-T260 VanDerWaalsContact CA-O 3.24Å; D85-T260 WeakPolarHBondContact CA-O 3.42Å; D85-T260 WeakPolarHBondContact CB-O 3.38Å; F86-T260 PolarHBondContact N-O 3.08Å; F86-T260 PolarHBondContact O-N 3.05Å; P192-T260 HydrophobicContact CB-CG2 4.06Å; P192-T260 HydrophobicContact CG-CG2 3.67Å; L217-T260 CarbonylContact O-C 3.6Å; L217-T260 WeakPolarHBondContact O-CA 3.32Å; I218-T260 HydrophobicContact CG1-CG2 4.33Å; I218-T260 HydrophobicContact CG2-CG2 4.23Å |
| 261 | L | 94.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 128.1 | 177.7 | -174.8 | 83.9 | 0 | 0 | 0 | 110.4 | Y48 V77 D79 V87 W216 L217 | Y48-L261 HydrophobicContact CD1-CD1 4.19Å; Y48-L261 HydrophobicContact CE1-CD1 3.9Å; Y48-L261 HydrophobicContact CE1-CD2 4.1Å; Y48-L261 HydrophobicContact CE1-CG 4.15Å; V77-L261 HydrophobicContact CB-CD2 4.07Å; V77-L261 HydrophobicContact CG1-CD2 3.39Å; D79-L261 HydrophobicContact CB-CD1 4.12Å; V87-L261 HydrophobicContact CG1-CB 3.91Å; V87-L261 HydrophobicContact CG2-CB 4.08Å; V87-L261 HydrophobicContact CG2-CD2 4.09Å; W216-L261 CarbonylContact C-O 3.58Å; W216-L261 WeakPolarHBondContact CA-O 3.31Å; L217-L261 HydrophobicContact CB-CB 4.45Å; L217-L261 PolarHBondContact N-O 2.85Å; L217-L261 PolarHBondContact O-N 3.04Å |
| 262 | E | 94.4 | Very high | 88.2 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 12% | 0.121 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.4 | 169.3 | -169.6 | 171.2 | -168 | 0 | 0 | 109.9 | Y48 K82 K214 W216 | Y48-E262 PolarHBondContact OH-O 3.15Å; K82-E262 IonicContact NZ-OE2 3.6Å; K82-E262 PolarHBondContact NZ-OE2 2.85Å; K214-E262 VanDerWaalsContact CD-OE1 3.28Å; K214-E262 WeakPolarHBondContact CD-OE1 3.39Å; K214-E262 WeakPolarHBondContact CE-OE1 3.4Å; W216-E262 HydrophobicContact CD2-CB 4.26Å; W216-E262 HydrophobicContact CE3-CB 4.03Å; W216-E262 HydrophobicContact CH2-CB 3.81Å; W216-E262 HydrophobicContact CH2-CG 4.3Å; W216-E262 HydrophobicContact CZ2-CB 4.03Å; W216-E262 HydrophobicContact CZ2-CG 4.03Å; W216-E262 HydrophobicContact CZ3-CB 3.81Å |
| 263 | L | 94.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 127 | 176.3 | -73.2 | 176.7 | 0 | 0 | 0 | 111 | Y48 L101 L168 L171 R215 L217 M268 L271 | Y48-L263 VanDerWaalsContact OH-CA 3.29Å; Y48-L263 WeakPolarHBondContact OH-CA 3.34Å; L101-L263 HydrophobicContact CD2-CD1 4.03Å; L168-L263 HydrophobicContact CD1-CB 4.21Å; L168-L263 WeakPolarHBondContact CD1-O 3.47Å; L168-L263 HydrophobicContact CD2-CB 4.35Å; L171-L263 HydrophobicContact CD2-CD1 3.97Å; R215-L263 HydrophobicContact CB-CB 4.32Å; R215-L263 HydrophobicContact CB-CD1 4.07Å; R215-L263 WeakPolarHBondContact O-CB 3.46Å; R215-L263 PolarHBondContact O-N 3.28Å; L217-L263 HydrophobicContact CD1-CD2 3.81Å; L217-L263 HydrophobicContact CD1-CG 4.45Å; L217-L263 HydrophobicContact CD2-CD1 4.46Å; L217-L263 HydrophobicContact CG-CD1 4.11Å; L217-L263 HydrophobicContact CG-CD2 4.02Å; L217-L263 HydrophobicContact CG-CG 4.09Å; L263-M268 HydrophobicContact CD2-SD 4.39Å; L263-L271 HydrophobicContact CD2-CD2 4.08Å |
| 264 | H | 92.4 | Very high | 90.8 | Very high | 23 Ų | 23 | 34 Ų | 34 | 11% | 0.106 | 18% | 0.182 | C | C | . | . | trans | -104 | 120.9 | 175.2 | -66.9 | -78.4 | 0 | 0 | 0 | 111.1 | E46 Y48 S266 L267 M268 | E46-H264 HydrophobicContact CB-CB 4.45Å; E46-H264 HydrophobicContact CG-CB 4.48Å; E46-H264 IonicContact OE1-CE1 2.72Å; E46-H264 IonicContact OE1-CG 2.76Å; E46-H264 IonicContact OE1-ND1 3.13Å; E46-H264 PolarHBondContact OE1-ND1 2.92Å; Y48-H264 AromaticContact CE1-CD2 3.89Å; Y48-H264 AromaticContact CZ-CD2 3.82Å; Y48-H264 PolarHBondContact OH-CD2 3.13Å; Y48-H264 PolarHBondContact OH-N 3.47Å; H264-S266 PolarHBondContact O-N 3.05Å; H264-S266 VanDerWaalsContact O-N 3.17Å; H264-L267 HydrophobicContact CB-CB 4.26Å; H264-L267 HydrophobicContact CB-CD1 4.04Å; H264-L267 HydrophobicContact CB-CG 4.03Å; H264-L267 PolarHBondContact O-N 2.78Å; H264-M268 PolarHBondContact O-N 3.17Å | ||
| 265 | A | 91.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 33% | 0.331 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L168 L267 M268 | L168-A265 HydrophobicContact CD1-CB 4.11Å; L168-A265 HydrophobicContact CG-CB 4.11Å; A265-L267 VanDerWaalsContact C-N 3.29Å; A265-L267 PolarHBondContact O-N 2.9Å; A265-M268 PolarHBondContact O-N 2.98Å |
| 266 | S | 90.7 | Very high | 92.5 | Very high | 35 Ų | 35 | 32.8 Ų | 32.8 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.9 | 176.5 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | E46 H264 | E46-S266 WeakPolarHBondContact OE2-CB 3.28Å; E46-S266 PolarHBondContact OE2-OG 3.47Å; H264-S266 PolarHBondContact O-N 3.05Å; H264-S266 VanDerWaalsContact O-N 3.17Å |
| 267 | L | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -18.2 | -177 | -62.4 | -176.4 | 0 | 0 | 0 | 112.6 | I36 E46 Y48 H264 A265 P269 Q270 L271 | I36-L267 HydrophobicContact CD1-CB 4.3Å; E46-L267 HydrophobicContact CB-CD1 4.12Å; E46-L267 HydrophobicContact CB-CG 4.36Å; Y48-L267 HydrophobicContact CD1-CD1 4.07Å; Y48-L267 HydrophobicContact CD2-CB 4.04Å; Y48-L267 HydrophobicContact CD2-CD1 3.52Å; Y48-L267 HydrophobicContact CD2-CG 4.4Å; Y48-L267 HydrophobicContact CE1-CD1 4.05Å; Y48-L267 HydrophobicContact CE2-CB 3.73Å; Y48-L267 HydrophobicContact CE2-CD1 3.47Å; Y48-L267 VanDerWaalsContact CE2-CD1 3.47Å; Y48-L267 HydrophobicContact CE2-CG 4.25Å; Y48-L267 HydrophobicContact CG-CD1 3.81Å; H264-L267 HydrophobicContact CB-CB 4.26Å; H264-L267 HydrophobicContact CB-CD1 4.04Å; H264-L267 HydrophobicContact CB-CG 4.03Å; H264-L267 PolarHBondContact O-N 2.78Å; A265-L267 VanDerWaalsContact C-N 3.29Å; A265-L267 PolarHBondContact O-N 2.9Å; L267-P269 VanDerWaalsContact C-CD 3.44Å; L267-Q270 PolarHBondContact O-N 3.04Å; L267-L271 PolarHBondContact O-N 3.15Å |
| 268 | M | 93.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -47.6 | -48.1 | -179.4 | -72 | -67.4 | -66.9 | 0 | 0 | 114.3 | L101 F166 L168 L263 H264 A265 Q270 L271 L272 | L101-M268 HydrophobicContact CB-CE 3.89Å; L101-M268 HydrophobicContact CD2-CE 4.17Å; L101-M268 HydrophobicContact CG-CE 4.41Å; F166-M268 HydrophobicContact CB-CB 4.01Å; F166-M268 HydrophobicContact CB-CG 4.23Å; F166-M268 HydrophobicContact CD1-CB 3.91Å; F166-M268 HydrophobicContact CD1-CE 4.2Å; F166-M268 HydrophobicContact CD1-CG 4.48Å; F166-M268 HydrophobicContact CD2-CB 3.99Å; F166-M268 HydrophobicContact CE1-CB 4.43Å; F166-M268 HydrophobicContact CG-CB 3.66Å; F166-M268 HydrophobicContact CG-CG 4.33Å; L168-M268 HydrophobicContact CD2-CG 4.19Å; L168-M268 HydrophobicContact CD2-SD 4.17Å; L263-M268 HydrophobicContact CD2-SD 4.39Å; H264-M268 PolarHBondContact O-N 3.17Å; A265-M268 PolarHBondContact O-N 2.98Å; M268-Q270 VanDerWaalsContact C-N 3.27Å; M268-Q270 PolarHBondContact O-N 3.07Å; M268-L271 PolarHBondContact O-N 3.05Å; M268-L272 HydrophobicContact CB-CD1 4.41Å; M268-L272 HydrophobicContact CE-CD1 4.21Å; M268-L272 HydrophobicContact CE-CG 4.48Å; M268-L272 VanDerWaalsContact O-CB 3.31Å; M268-L272 WeakPolarHBondContact O-CB 3.44Å; M268-L272 WeakPolarHBondContact O-CD1 3.24Å; M268-L272 WeakPolarHBondContact O-CG 3.43Å; M268-L272 PolarHBondContact O-N 3.1Å |
| 269 | P | 93 | Very high | 93.8 | Very high | 56 Ų | 56 | 23.1 Ų | 23.1 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.2 | -39 | -179.4 | -17.7 | 26.7 | 0 | 0 | 0 | 112.7 | F166 L267 T273 | F166-P269 HydrophobicContact CD2-CG 3.89Å; F166-P269 HydrophobicContact CE2-CB 4.2Å; F166-P269 HydrophobicContact CE2-CG 3.7Å; L267-P269 VanDerWaalsContact C-CD 3.44Å; P269-T273 WeakPolarHBondContact O-CB 3.49Å; P269-T273 PolarHBondContact O-N 2.71Å; P269-T273 VanDerWaalsContact O-N 3.12Å; P269-T273 PolarHBondContact O-OG1 3.22Å |
| 270 | Q | 94.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 27% | 0.266 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -77.1 | -39.1 | -177 | -56.4 | 178.6 | 38.2 | 0 | 0 | 110.8 | I36 R37 L267 M268 T273 F274 | I36-Q270 HydrophobicContact CB-CB 4Å; I36-Q270 VanDerWaalsContact CB-OE1 3.27Å; I36-Q270 HydrophobicContact CD1-CB 3.84Å; I36-Q270 HydrophobicContact CG2-CB 3.84Å; R37-Q270 PolarHBondContact O-NE2 3.34Å; L267-Q270 PolarHBondContact O-N 3.04Å; M268-Q270 VanDerWaalsContact C-N 3.27Å; M268-Q270 PolarHBondContact O-N 3.07Å; Q270-T273 PolarHBondContact O-N 3Å; Q270-F274 PolarHBondContact O-N 3.01Å |
| 271 | L | 95.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 173.7 | 177.3 | 61.6 | 0 | 0 | 0 | 111.9 | I36 Y48 L50 V77 L101 L263 L267 M268 F274 L275 | I36-L271 HydrophobicContact CD1-CB 4.19Å; Y48-L271 HydrophobicContact CE2-CD2 4.49Å; L50-L271 HydrophobicContact CD2-CD1 3.98Å; V77-L271 HydrophobicContact CG1-CD1 4.38Å; V77-L271 HydrophobicContact CG2-CD1 4.15Å; L101-L271 HydrophobicContact CD1-CD2 4.41Å; L263-L271 HydrophobicContact CD2-CD2 4.08Å; L267-L271 PolarHBondContact O-N 3.15Å; M268-L271 PolarHBondContact O-N 3.05Å; L271-F274 PolarHBondContact O-N 3.31Å; L271-L275 HydrophobicContact CD1-CD1 4.36Å; L271-L275 HydrophobicContact CD1-CG 4.38Å; L271-L275 HydrophobicContact CG-CD1 4.25Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.2Å |
| 272 | L | 95.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.2 | -71.3 | 163 | 0 | 0 | 0 | 111.7 | L98 L101 M102 F166 M268 F274 L275 A276 | L98-L272 HydrophobicContact CD1-CB 4.26Å; L98-L272 HydrophobicContact CD1-CD2 3.72Å; L98-L272 WeakPolarHBondContact CD1-O 3.39Å; L101-L272 HydrophobicContact CB-CD2 3.59Å; L101-L272 HydrophobicContact CD1-CD2 4.49Å; M102-L272 HydrophobicContact CG-CD2 4.07Å; M102-L272 HydrophobicContact SD-CD1 3.77Å; M102-L272 HydrophobicContact SD-CD2 3.97Å; M102-L272 HydrophobicContact SD-CG 4.33Å; F166-L272 HydrophobicContact CD1-CD1 4.1Å; F166-L272 HydrophobicContact CE1-CD1 3.18Å; F166-L272 HydrophobicContact CE2-CD1 4.35Å; F166-L272 HydrophobicContact CZ-CD1 3.34Å; M268-L272 HydrophobicContact CB-CD1 4.41Å; M268-L272 HydrophobicContact CE-CD1 4.21Å; M268-L272 HydrophobicContact CE-CG 4.48Å; M268-L272 VanDerWaalsContact O-CB 3.31Å; M268-L272 WeakPolarHBondContact O-CB 3.44Å; M268-L272 WeakPolarHBondContact O-CD1 3.24Å; M268-L272 WeakPolarHBondContact O-CG 3.43Å; M268-L272 PolarHBondContact O-N 3.1Å; L272-F274 PolarHBondContact O-N 3.41Å; L272-L275 PolarHBondContact O-N 2.87Å; L272-A276 WeakPolarHBondContact O-CB 3.28Å; L272-A276 PolarHBondContact O-N 3.41Å |
| 273 | T | 94.3 | Very high | 92.9 | Very high | 100 Ų | 100 | 34 Ų | 34 | 61% | 0.613 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61 | -44.3 | 175.5 | -56 | 0 | 0 | 0 | 0 | 111.4 | P269 Q270 A276 D277 | P269-T273 WeakPolarHBondContact O-CB 3.49Å; P269-T273 PolarHBondContact O-N 2.71Å; P269-T273 VanDerWaalsContact O-N 3.12Å; P269-T273 PolarHBondContact O-OG1 3.22Å; Q270-T273 PolarHBondContact O-N 3Å; T273-A276 PolarHBondContact O-N 3.35Å; T273-D277 PolarHBondContact O-N 3.38Å |
| 274 | F | 95.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 175.8 | 172.3 | -90.8 | 0 | 0 | 0 | 112.4 | L32 Q34 L50 V52 V75 Q270 L271 L272 A276 D277 V278 | L32-F274 HydrophobicContact CD2-CD2 4.11Å; L32-F274 HydrophobicContact CD2-CE2 3.53Å; L32-F274 HydrophobicContact CD2-CZ 4.32Å; L32-F274 HydrophobicContact CG-CE2 4.09Å; Q34-F274 HydrophobicContact CB-CD2 4.36Å; L50-F274 HydrophobicContact CB-CD1 4.06Å; L50-F274 HydrophobicContact CB-CD2 3.87Å; L50-F274 HydrophobicContact CB-CE1 3.87Å; L50-F274 HydrophobicContact CB-CE2 3.64Å; L50-F274 HydrophobicContact CB-CG 4.07Å; L50-F274 HydrophobicContact CB-CZ 3.65Å; L50-F274 HydrophobicContact CD1-CB 3.51Å; L50-F274 HydrophobicContact CD1-CD1 3.79Å; L50-F274 HydrophobicContact CD1-CD2 3.8Å; L50-F274 HydrophobicContact CD1-CE1 4.45Å; L50-F274 HydrophobicContact CD1-CE2 4.44Å; L50-F274 HydrophobicContact CD1-CG 3.42Å; L50-F274 VanDerWaalsContact CD1-CG 3.42Å; L50-F274 HydrophobicContact CG-CD1 4.44Å; L50-F274 HydrophobicContact CG-CG 4.36Å; V52-F274 HydrophobicContact CG2-CE2 4.47Å; V52-F274 HydrophobicContact CG2-CZ 3.86Å; V75-F274 HydrophobicContact CG1-CE1 3.87Å; V75-F274 HydrophobicContact CG2-CE1 4.4Å; Q270-F274 PolarHBondContact O-N 3.01Å; L271-F274 PolarHBondContact O-N 3.31Å; L272-F274 PolarHBondContact O-N 3.41Å; F274-A276 VanDerWaalsContact C-N 3.29Å; F274-A276 PolarHBondContact O-N 2.96Å; F274-D277 PolarHBondContact O-N 2.91Å; F274-V278 HydrophobicContact CD1-CG2 4.26Å; F274-V278 HydrophobicContact CE1-CG2 3.86Å; F274-V278 HydrophobicContact CE2-CG2 4.4Å; F274-V278 HydrophobicContact CZ-CG2 3.94Å; F274-V278 WeakPolarHBondContact O-CG2 3.03Å; F274-V278 PolarHBondContact O-N 3.21Å |
| 275 | L | 96 | Very high | 91.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -36.4 | 176 | -71.3 | 174.4 | 0 | 0 | 0 | 111.6 | C94 L97 L98 L101 L271 L272 V278 V279 | C94-L275 HydrophobicContact CB-CD2 4.38Å; L97-L275 HydrophobicContact CD2-CD1 4.01Å; L97-L275 HydrophobicContact CG-CD1 4.3Å; L98-L275 HydrophobicContact CB-CB 4.36Å; L98-L275 HydrophobicContact CD1-CB 4.08Å; L101-L275 HydrophobicContact CD1-CD1 3.96Å; L271-L275 HydrophobicContact CD1-CD1 4.36Å; L271-L275 HydrophobicContact CD1-CG 4.38Å; L271-L275 HydrophobicContact CG-CD1 4.25Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.2Å; L272-L275 PolarHBondContact O-N 2.87Å; L275-V278 PolarHBondContact O-N 2.8Å; L275-V279 WeakPolarHBondContact O-CB 3.5Å; L275-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 PolarHBondContact O-N 3.01Å |
| 276 | A | 94.5 | Very high | 90.2 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 31% | 0.306 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L98 L272 T273 F274 T280 | L98-A276 HydrophobicContact CD1-CB 4.42Å; L98-A276 HydrophobicContact CD2-CB 3.97Å; L272-A276 WeakPolarHBondContact O-CB 3.28Å; L272-A276 PolarHBondContact O-N 3.41Å; T273-A276 PolarHBondContact O-N 3.35Å; F274-A276 VanDerWaalsContact C-N 3.29Å; F274-A276 PolarHBondContact O-N 2.96Å; A276-T280 WeakPolarHBondContact O-CB 3.5Å; A276-T280 PolarHBondContact O-N 2.92Å; A276-T280 PolarHBondContact O-OG1 3.33Å |
| 277 | D | 93.5 | Very high | 89.3 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -57.3 | 168.5 | 169.3 | 17.6 | 0 | 0 | 0 | 109.8 | T273 F274 V279 T280 R281 E334 | T273-D277 PolarHBondContact O-N 3.38Å; F274-D277 PolarHBondContact O-N 2.91Å; D277-V279 VanDerWaalsContact C-N 3.3Å; D277-V279 PolarHBondContact O-N 2.98Å; D277-T280 CarbonylContact O-C 3.49Å; D277-T280 WeakPolarHBondContact O-CA 3.43Å; D277-T280 WeakPolarHBondContact O-CB 3.29Å; D277-T280 PolarHBondContact O-N 2.84Å; D277-R281 WeakPolarHBondContact O-CB 3.31Å; D277-R281 PolarHBondContact O-N 3.35Å; D277-R281 IonicContact OD1-CZ 2.74Å; D277-R281 IonicContact OD1-NE 3.96Å; D277-R281 PolarHBondContact OD1-NE 3.39Å; D277-R281 IonicContact OD1-NH2 2.69Å; D277-R281 PolarHBondContact OD1-NH2 3.4Å; D277-R281 VanDerWaalsContact OD1-NH2 3.13Å; D277-R281 IonicContact OD2-CZ 3.69Å; D277-R281 IonicContact OD2-NE 4Å; D277-R281 IonicContact OD2-NH2 2.86Å; D277-R281 PolarHBondContact OD2-NH2 2.79Å; D277-E334 WeakPolarHBondContact OD1-CB 3.42Å; D277-E334 WeakPolarHBondContact OD1-CG 3.49Å |
| 278 | V | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.7 | -45.4 | -178.9 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | V52 V75 V91 C94 F274 L275 T280 Y282 | V52-V278 HydrophobicContact CG2-CG2 3.72Å; V75-V278 HydrophobicContact CG2-CB 4.45Å; V75-V278 HydrophobicContact CG2-CG1 3.69Å; V75-V278 HydrophobicContact CG2-CG2 4.16Å; V91-V278 HydrophobicContact CB-CG1 4.38Å; V91-V278 HydrophobicContact CG1-CG1 3.94Å; V91-V278 HydrophobicContact CG2-CG1 3.66Å; C94-V278 HydrophobicContact CB-CG1 4.45Å; F274-V278 HydrophobicContact CD1-CG2 4.26Å; F274-V278 HydrophobicContact CE1-CG2 3.86Å; F274-V278 HydrophobicContact CE2-CG2 4.4Å; F274-V278 HydrophobicContact CZ-CG2 3.94Å; F274-V278 WeakPolarHBondContact O-CG2 3.03Å; F274-V278 PolarHBondContact O-N 3.21Å; L275-V278 PolarHBondContact O-N 2.8Å; V278-T280 VanDerWaalsContact C-N 3.31Å; V278-T280 PolarHBondContact O-N 3.4Å; V278-Y282 HydrophobicContact CG1-CD2 4.12Å; V278-Y282 WeakPolarHBondContact O-CD2 3.39Å; V278-Y282 PolarHBondContact O-N 3.43Å; V278-Y282 VanDerWaalsContact O-N 3.14Å |
| 279 | V | 93 | Very high | 87.1 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -38 | 177.1 | 167.6 | 0 | 0 | 0 | 0 | 111.8 | C94 N95 L98 L275 D277 R283 | C94-V279 VanDerWaalsContact C-CG2 3.5Å; C94-V279 HydrophobicContact CB-CG2 3.61Å; N95-V279 HydrophobicContact CB-CG1 3.96Å; N95-V279 HydrophobicContact CB-CG2 3.96Å; N95-V279 VanDerWaalsContact N-CG2 3.35Å; L98-V279 HydrophobicContact CD2-CG2 4.31Å; L275-V279 WeakPolarHBondContact O-CB 3.5Å; L275-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 PolarHBondContact O-N 3.01Å; D277-V279 VanDerWaalsContact C-N 3.3Å; D277-V279 PolarHBondContact O-N 2.98Å; V279-R283 WeakPolarHBondContact O-CA 3.47Å; V279-R283 VanDerWaalsContact O-CB 3.28Å; V279-R283 WeakPolarHBondContact O-CB 3.36Å; V279-R283 PolarHBondContact O-N 3.37Å; V279-R283 VanDerWaalsContact O-N 3.14Å |
| 280 | T | 91 | Very high | 86 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.1 | -48.1 | -179.8 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | A276 D277 V278 Y282 R283 E334 | A276-T280 WeakPolarHBondContact O-CB 3.5Å; A276-T280 PolarHBondContact O-N 2.92Å; A276-T280 PolarHBondContact O-OG1 3.33Å; D277-T280 CarbonylContact O-C 3.49Å; D277-T280 WeakPolarHBondContact O-CA 3.43Å; D277-T280 WeakPolarHBondContact O-CB 3.29Å; D277-T280 PolarHBondContact O-N 2.84Å; V278-T280 VanDerWaalsContact C-N 3.31Å; V278-T280 PolarHBondContact O-N 3.4Å; T280-Y282 VanDerWaalsContact C-N 3.31Å; T280-Y282 PolarHBondContact O-N 3.26Å; T280-R283 WeakPolarHBondContact O-CB 3.28Å; T280-R283 PolarHBondContact O-N 3.22Å; T280-E334 HydrophobicContact CG2-CB 4.33Å |
| 281 | R | 91.7 | Very high | 84.7 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 9% | 0.087 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.2 | -38.9 | 179.6 | 178.8 | -177.4 | -61.7 | -135 | -4.1 | 113.4 | D277 W312 G313 K314 E334 | D277-R281 WeakPolarHBondContact O-CB 3.31Å; D277-R281 PolarHBondContact O-N 3.35Å; D277-R281 IonicContact OD1-CZ 2.74Å; D277-R281 IonicContact OD1-NE 3.96Å; D277-R281 PolarHBondContact OD1-NE 3.39Å; D277-R281 IonicContact OD1-NH2 2.69Å; D277-R281 PolarHBondContact OD1-NH2 3.4Å; D277-R281 VanDerWaalsContact OD1-NH2 3.13Å; D277-R281 IonicContact OD2-CZ 3.69Å; D277-R281 IonicContact OD2-NE 4Å; D277-R281 IonicContact OD2-NH2 2.86Å; D277-R281 PolarHBondContact OD2-NH2 2.79Å; R281-W312 WeakPolarHBondContact CD-O 3.2Å; R281-W312 WeakPolarHBondContact CG-O 3.47Å; R281-G313 CarbonylContact O-C 3.57Å; R281-G313 VanDerWaalsContact O-CA 3.25Å; R281-G313 WeakPolarHBondContact O-CA 3.49Å; R281-K314 PolarHBondContact O-N 3.32Å; R281-E334 IonicContact CZ-OE1 3.77Å; R281-E334 IonicContact NE-OE1 2.65Å; R281-E334 PolarHBondContact NE-OE1 3.4Å; R281-E334 IonicContact NH1-OE1 2.73Å; R281-E334 IonicContact NH2-OE1 3.18Å; R281-E334 PolarHBondContact NH2-OE1 2.93Å |
| 282 | Y | 89.7 | Confident | 83.4 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 17% | 0.169 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 14.6 | -177.9 | -61.9 | -72.1 | 0 | 0 | 0 | 113.5 | V52 P73 V91 V278 T280 A284 R311 G313 | V52-Y282 HydrophobicContact CG1-CE2 3.92Å; P73-Y282 HydrophobicContact CB-CD1 4.49Å; P73-Y282 HydrophobicContact CB-CE1 4.08Å; P73-Y282 HydrophobicContact CB-CE2 4.25Å; P73-Y282 HydrophobicContact CG-CD1 3.64Å; P73-Y282 HydrophobicContact CG-CD2 4.19Å; P73-Y282 HydrophobicContact CG-CE1 3.68Å; P73-Y282 HydrophobicContact CG-CE2 4.23Å; P73-Y282 HydrophobicContact CG-CG 3.9Å; V91-Y282 HydrophobicContact CG1-CD2 3.98Å; V91-Y282 HydrophobicContact CG1-CG 4.04Å; V91-Y282 HydrophobicContact CG2-CD2 4.25Å; V278-Y282 HydrophobicContact CG1-CD2 4.12Å; V278-Y282 WeakPolarHBondContact O-CD2 3.39Å; V278-Y282 PolarHBondContact O-N 3.43Å; V278-Y282 VanDerWaalsContact O-N 3.14Å; T280-Y282 VanDerWaalsContact C-N 3.31Å; T280-Y282 PolarHBondContact O-N 3.26Å; Y282-A284 PolarHBondContact O-N 3.14Å; Y282-R311 PolarHBondContact OH-O 2.81Å; Y282-G313 VanDerWaalsContact CE1-CA 3.45Å; Y282-G313 VanDerWaalsContact CE1-N 3.31Å |
| 283 | R | 83.9 | Confident | 82.7 | Confident | 163 Ų | 163 | 75.8 Ų | 75.8 | 62% | 0.615 | 40% | 0.404 | S | S | * | . | trans | -53.4 | 131.6 | 177 | 177.7 | 167 | 176.9 | -178.3 | 0.9 | 111.1 | V279 T280 I285 K314 | V279-R283 WeakPolarHBondContact O-CA 3.47Å; V279-R283 VanDerWaalsContact O-CB 3.28Å; V279-R283 WeakPolarHBondContact O-CB 3.36Å; V279-R283 PolarHBondContact O-N 3.37Å; V279-R283 VanDerWaalsContact O-N 3.14Å; T280-R283 WeakPolarHBondContact O-CB 3.28Å; T280-R283 PolarHBondContact O-N 3.22Å; R283-I285 HydrophobicContact CG-CG1 4.16Å; R283-K314 WeakPolarHBondContact O-CD 3.31Å; R283-K314 WeakPolarHBondContact O-CE 3.19Å | ||
| 284 | A | 78.5 | Confident | 82.1 | Confident | 75 Ų | 75 | 75.5 Ų | 75.5 | 62% | 0.62 | 40% | 0.398 | S | S | * | . | trans | -65.4 | 132.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y282 | Y282-A284 PolarHBondContact O-N 3.14Š| ||
| 285 | I | 72.8 | Confident | 81.6 | Confident | 44 Ų | 44 | 82 Ų | 82 | 23% | 0.226 | 42% | 0.423 | C | S | . | . | trans | -127.8 | 105.2 | -178.4 | -66.7 | 179.6 | 0 | 0 | 0 | 107 | R283 L287 L307 K314 L333 | R283-I285 HydrophobicContact CG-CG1 4.16Å; I285-L287 VanDerWaalsContact CG2-O 3.23Å; I285-L287 WeakPolarHBondContact CG2-O 3.4Å; I285-L307 HydrophobicContact CD1-CD2 3.96Å; I285-L307 HydrophobicContact CG2-CD2 4.3Å; I285-K314 HydrophobicContact CB-CD 4.38Å; I285-K314 HydrophobicContact CD1-CD 3.65Å; I285-K314 HydrophobicContact CG1-CD 4.01Å; I285-L333 HydrophobicContact CD1-CD2 3.64Å | ||
| 286 | D | 70.3 | Confident | 81 | Confident | 154 Ų | 154 | 83.1 Ų | 83.1 | 82% | 0.824 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -76.5 | -33.6 | -170.8 | -48.8 | -55.3 | 0 | 0 | 0 | 112.1 | ||
| 287 | L | 71.3 | Confident | 80.1 | Confident | 152 Ų | 152 | 86.2 Ų | 86.2 | 80% | 0.796 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -114.1 | 111.6 | 168.7 | -76.4 | 89.9 | 0 | 0 | 0 | 110.3 | I285 P289 | I285-L287 VanDerWaalsContact CG2-O 3.23Å; I285-L287 WeakPolarHBondContact CG2-O 3.4Å; L287-P289 WeakPolarHBondContact O-CD 3.43Å |
| 288 | I | 71.8 | Confident | 79.5 | Confident | 97 Ų | 97 | 87.9 Ų | 87.9 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | trans | -71.9 | 122.4 | 167.8 | -62 | 175.5 | 0 | 0 | 0 | 108 | K290 L307 | I288-K290 PolarHBondContact O-N 2.94Å; I288-K290 VanDerWaalsContact O-N 3.15Å; I288-L307 HydrophobicContact CG1-CD2 4.42Å; I288-L307 HydrophobicContact CG2-CB 3.87Å; I288-L307 HydrophobicContact CG2-CD2 4.3Å | ||
| 289 | P | 69.7 | Low | 78.9 | Confident | 90 Ų | 90 | 89.9 Ų | 89.9 | 58% | 0.584 | 48% | 0.477 | S | S | * | . | trans | -60.7 | 119.8 | 175.2 | -21.8 | 33.3 | 0 | 0 | 0 | 110.4 | L287 V291 | L287-P289 WeakPolarHBondContact O-CD 3.43Å; P289-V291 VanDerWaalsContact C-N 3.33Å; P289-V291 PolarHBondContact O-N 3.14Å | ||
| 290 | K | 69.5 | Low | 78.6 | Confident | 210 Ų | 210 | 94.6 Ų | 94.6 | 91% | 0.913 | 50% | 0.497 | S | S | * | . | trans | -72.7 | 89.6 | 168.8 | -76.4 | -177 | 179.9 | 174 | 0 | 108.7 | I288 Q292 | I288-K290 PolarHBondContact O-N 2.94Å; I288-K290 VanDerWaalsContact O-N 3.15Å; K290-Q292 PolarHBondContact O-N 3.09Å | ||
| 291 | V | 67.3 | Low | 78.5 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 123.3 | 170.9 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | P289 F305 | P289-V291 VanDerWaalsContact C-N 3.33Å; P289-V291 PolarHBondContact O-N 3.14Å; V291-F305 HydrophobicContact CB-CB 3.68Å; V291-F305 HydrophobicContact CB-CG 4.36Å; V291-F305 HydrophobicContact CG1-CB 3.55Å; V291-F305 HydrophobicContact CG1-CD1 4.4Å; V291-F305 HydrophobicContact CG1-CD2 3.75Å; V291-F305 HydrophobicContact CG1-CG 3.66Å; V291-F305 HydrophobicContact CG2-CB 4.3Å |
| 292 | Q | 68 | Low | 78.5 | Confident | 166 Ų | 166 | 101.1 Ų | 101.1 | 78% | 0.776 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 146.8 | 178.3 | -66.4 | -177.9 | -0.6 | 0 | 0 | 110.9 | K290 L294 | K290-Q292 PolarHBondContact O-N 3.09Å; Q292-L294 PolarHBondContact O-N 3.25Å |
| 293 | S | 79.4 | Confident | 78.6 | Confident | 40 Ų | 40 | 101.8 Ų | 101.8 | 28% | 0.28 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 122.5 | 174.5 | 65 | 0 | 0 | 0 | 0 | 110.1 | R302 F303 | S293-R302 PolarHBondContact OG-NE 3.18Å; S293-R302 VanDerWaalsContact OG-NE 3.16Å; S293-R302 PolarHBondContact OG-NH2 3.19Å; S293-F303 WeakPolarHBondContact CA-O 3.34Å |
| 294 | L | 83.6 | Confident | 79 | Confident | 94 Ų | 94 | 96.4 Ų | 96.4 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 153.7 | 176.8 | -55.4 | 177.7 | 0 | 0 | 0 | 110.2 | Q292 R302 F303 F305 | Q292-L294 PolarHBondContact O-N 3.25Å; L294-R302 CarbonylContact O-C 3.58Å; L294-R302 WeakPolarHBondContact O-CA 3.42Å; L294-F303 HydrophobicContact CB-CB 4.35Å; L294-F303 PolarHBondContact N-O 2.81Å; L294-F303 VanDerWaalsContact N-O 3.07Å; L294-F303 PolarHBondContact O-N 3.14Å; L294-F305 HydrophobicContact CB-CE2 4.37Å; L294-F305 HydrophobicContact CD1-CE2 3.82Å; L294-F305 HydrophobicContact CD1-CZ 4.02Å; L294-F305 HydrophobicContact CG-CE2 3.93Å |
| 295 | Y | 83.6 | Confident | 79.6 | Confident | 137 Ų | 137 | 95.3 Ų | 95.3 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 153.3 | 169.9 | -72.4 | -93.3 | 0 | 0 | 0 | 110 | R301 R302 | Y295-R301 CarbonylContact C-O 3.56Å; Y295-R301 WeakPolarHBondContact CA-O 3.46Å; Y295-R302 HydrophobicContact CD1-CB 4.13Å; Y295-R302 HydrophobicContact CD1-CG 4.14Å; Y295-R302 HydrophobicContact CE1-CB 3.99Å; Y295-R302 HydrophobicContact CE1-CG 3.81Å; Y295-R302 HydrophobicContact CE2-CG 4.37Å; Y295-R302 VanDerWaalsContact OH-CZ 3.3Å; Y295-R302 PolarHBondContact OH-NE 2.79Å |
| 296 | S | 84.2 | Confident | 80.4 | Confident | 26 Ų | 26 | 96.7 Ų | 96.7 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | trans | -66.3 | 160.1 | 165.1 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | S298 G299 R301 | S296-S298 PolarHBondContact O-N 3Å; S296-S298 PolarHBondContact OG-OG 3.46Å; S296-G299 PolarHBondContact O-N 3.36Å; S296-G299 PolarHBondContact OG-N 2.9Å; S296-R301 PolarHBondContact N-O 3.34Å; S296-R301 WeakPolarHBondContact OG-CB 3.48Å; S296-R301 PolarHBondContact OG-N 3.22Å; S296-R301 PolarHBondContact OG-O 3.38Å | ||
| 297 | I | 74.7 | Confident | 81.2 | Confident | 101 Ų | 101 | 90.7 Ų | 90.7 | 52% | 0.518 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.6 | 174.2 | -58.5 | 165.7 | 0 | 0 | 0 | 111.1 | G299 R359 | I297-G299 VanDerWaalsContact C-N 3.29Å; I297-G299 PolarHBondContact O-N 2.78Å; I297-R359 HydrophobicContact CD1-CG 4.08Å |
| 298 | S | 81.5 | Confident | 81.9 | Confident | 69 Ų | 69 | 87.9 Ų | 87.9 | 48% | 0.483 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.3 | 173.4 | 63.2 | 0 | 0 | 0 | 0 | 114.8 | S296 E300 | S296-S298 PolarHBondContact O-N 3Å; S296-S298 PolarHBondContact OG-OG 3.46Å; S298-E300 VanDerWaalsContact CB-OE2 3.31Å; S298-E300 WeakPolarHBondContact CB-OE2 3.46Å; S298-E300 PolarHBondContact O-N 3.02Å; S298-E300 PolarHBondContact OG-OE2 3.4Å |
| 299 | G | 82.1 | Confident | 82.5 | Confident | 43 Ų | 43 | 87.7 Ų | 87.7 | 44% | 0.443 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 74.1 | -25.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S296 I297 R301 | S296-G299 PolarHBondContact O-N 3.36Å; S296-G299 PolarHBondContact OG-N 2.9Å; I297-G299 VanDerWaalsContact C-N 3.29Å; I297-G299 PolarHBondContact O-N 2.78Å; G299-R301 PolarHBondContact O-N 2.95Å; G299-R301 VanDerWaalsContact O-N 3.16Å |
| 300 | E | 85.8 | Confident | 83.2 | Confident | 126 Ų | 126 | 85 Ų | 85 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -62.7 | -20.9 | -174.6 | -56 | 163 | 143.9 | 0 | 0 | 115.2 | S298 | S298-E300 VanDerWaalsContact CB-OE2 3.31Å; S298-E300 WeakPolarHBondContact CB-OE2 3.46Å; S298-E300 PolarHBondContact O-N 3.02Å; S298-E300 PolarHBondContact OG-OE2 3.4Å |
| 301 | R | 89.6 | Confident | 83.9 | Confident | 115 Ų | 115 | 80.1 Ų | 80.1 | 43% | 0.434 | 40% | 0.399 | S | S | . | . | trans | -121.5 | 125.1 | -174.9 | -42.2 | -173.6 | 178.4 | -177.6 | 0.2 | 109.9 | Y295 S296 G299 F303 Q320 V321 T322 | Y295-R301 CarbonylContact C-O 3.56Å; Y295-R301 WeakPolarHBondContact CA-O 3.46Å; S296-R301 PolarHBondContact N-O 3.34Å; S296-R301 WeakPolarHBondContact OG-CB 3.48Å; S296-R301 PolarHBondContact OG-N 3.22Å; S296-R301 PolarHBondContact OG-O 3.38Å; G299-R301 PolarHBondContact O-N 2.95Å; G299-R301 VanDerWaalsContact O-N 3.16Å; R301-F303 HydrophobicContact CB-CE2 4.17Å; R301-F303 HydrophobicContact CB-CZ 4.36Å; R301-Q320 HydrophobicContact CB-CG 4.4Å; R301-V321 WeakPolarHBondContact CA-O 3.43Å; R301-T322 HydrophobicContact CB-CG2 4.26Å; R301-T322 HydrophobicContact CG-CG2 3.9Å | ||
| 302 | R | 91 | Very high | 84.8 | Confident | 101 Ų | 101 | 81.8 Ų | 81.8 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.6 | 174.7 | -167.1 | 178.1 | -175.4 | 178 | 2.9 | 110.5 | S293 L294 Y295 L304 V321 | S293-R302 PolarHBondContact OG-NE 3.18Å; S293-R302 VanDerWaalsContact OG-NE 3.16Å; S293-R302 PolarHBondContact OG-NH2 3.19Å; L294-R302 CarbonylContact O-C 3.58Å; L294-R302 WeakPolarHBondContact O-CA 3.42Å; Y295-R302 HydrophobicContact CD1-CB 4.13Å; Y295-R302 HydrophobicContact CD1-CG 4.14Å; Y295-R302 HydrophobicContact CE1-CB 3.99Å; Y295-R302 HydrophobicContact CE1-CG 3.81Å; Y295-R302 HydrophobicContact CE2-CG 4.37Å; Y295-R302 VanDerWaalsContact OH-CZ 3.3Å; Y295-R302 PolarHBondContact OH-NE 2.79Å; R302-L304 HydrophobicContact CG-CD2 4.36Å; R302-V321 PolarHBondContact N-O 3.26Å; R302-V321 PolarHBondContact O-N 2.89Å |
| 303 | F | 92.9 | Very high | 85.7 | Confident | 56 Ų | 56 | 74 Ų | 74 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.2 | 177 | -60.9 | -86.5 | 0 | 0 | 0 | 110.2 | S293 L294 R301 F305 S319 Q320 | S293-F303 WeakPolarHBondContact CA-O 3.34Å; L294-F303 HydrophobicContact CB-CB 4.35Å; L294-F303 PolarHBondContact N-O 2.81Å; L294-F303 VanDerWaalsContact N-O 3.07Å; L294-F303 PolarHBondContact O-N 3.14Å; R301-F303 HydrophobicContact CB-CE2 4.17Å; R301-F303 HydrophobicContact CB-CZ 4.36Å; F303-F305 HydrophobicContact CB-CE2 3.81Å; F303-F305 HydrophobicContact CB-CZ 4.18Å; F303-S319 CarbonylContact C-O 3.4Å; F303-S319 WeakPolarHBondContact CA-O 3.23Å; F303-Q320 HydrophobicContact CD1-CB 4.04Å; F303-Q320 HydrophobicContact CD1-CG 4.25Å; F303-Q320 HydrophobicContact CE1-CB 3.8Å; F303-Q320 HydrophobicContact CE1-CG 3.68Å; F303-Q320 HydrophobicContact CZ-CG 4.09Å |
| 304 | L | 91.1 | Very high | 86.1 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.4 | -180 | -58 | 171.8 | 0 | 0 | 0 | 109.8 | R302 S319 V321 | R302-L304 HydrophobicContact CG-CD2 4.36Å; L304-S319 PolarHBondContact N-O 2.69Å; L304-S319 PolarHBondContact O-N 3.06Å; L304-V321 HydrophobicContact CD1-CG2 3.9Å; L304-V321 HydrophobicContact CG-CG2 4.49Å |
| 305 | F | 91.4 | Very high | 86.5 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 23% | 0.228 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114.7 | -177.3 | -61.4 | -97.1 | 0 | 0 | 0 | 108.9 | V291 L294 F303 I318 | V291-F305 HydrophobicContact CB-CB 3.68Å; V291-F305 HydrophobicContact CB-CG 4.36Å; V291-F305 HydrophobicContact CG1-CB 3.55Å; V291-F305 HydrophobicContact CG1-CD1 4.4Å; V291-F305 HydrophobicContact CG1-CD2 3.75Å; V291-F305 HydrophobicContact CG1-CG 3.66Å; V291-F305 HydrophobicContact CG2-CB 4.3Å; L294-F305 HydrophobicContact CB-CE2 4.37Å; L294-F305 HydrophobicContact CD1-CE2 3.82Å; L294-F305 HydrophobicContact CD1-CZ 4.02Å; L294-F305 HydrophobicContact CG-CE2 3.93Å; F303-F305 HydrophobicContact CB-CE2 3.81Å; F303-F305 HydrophobicContact CB-CZ 4.18Å; F305-I318 HydrophobicContact CD1-CB 4.44Å; F305-I318 HydrophobicContact CD1-CD1 4.17Å; F305-I318 HydrophobicContact CD1-CG1 3.8Å; F305-I318 HydrophobicContact CD1-CG2 4.14Å; F305-I318 HydrophobicContact CE1-CB 4.45Å; F305-I318 HydrophobicContact CE1-CD1 3.9Å; F305-I318 HydrophobicContact CE1-CG1 3.94Å; F305-I318 HydrophobicContact CE1-CG2 3.78Å; F305-I318 HydrophobicContact CZ-CG2 4.2Å |
| 306 | N | 88.8 | Confident | 86.8 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.4 | -177.3 | -65.9 | -87.5 | 0 | 0 | 0 | 110 | K308 H317 | N306-K308 HydrophobicContact CB-CG 4.47Å; N306-K308 PolarHBondContact O-N 2.78Å; N306-H317 PolarHBondContact N-O 2.9Å; N306-H317 WeakPolarHBondContact O-CB 3.45Å; N306-H317 PolarHBondContact O-N 2.92Å |
| 307 | L | 88.3 | Confident | 87.2 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127.3 | 166.5 | -171.1 | 67.3 | 0 | 0 | 0 | 108.5 | I285 I288 K314 I316 L333 | I285-L307 HydrophobicContact CD1-CD2 3.96Å; I285-L307 HydrophobicContact CG2-CD2 4.3Å; I288-L307 HydrophobicContact CG1-CD2 4.42Å; I288-L307 HydrophobicContact CG2-CB 3.87Å; I288-L307 HydrophobicContact CG2-CD2 4.3Å; L307-K314 HydrophobicContact CD1-CB 4.34Å; L307-I316 HydrophobicContact CD1-CG1 3.72Å; L307-L333 HydrophobicContact CD1-CD1 4.36Å |
| 308 | K | 86.1 | Confident | 88.1 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.3 | 179.7 | -63.2 | -164.7 | 179.3 | -171 | 0 | 111.8 | N306 K314 R315 H317 | N306-K308 HydrophobicContact CB-CG 4.47Å; N306-K308 PolarHBondContact O-N 2.78Å; K308-K314 CarbonylContact O-C 3.59Å; K308-K314 WeakPolarHBondContact O-CA 3.48Å; K308-R315 PolarHBondContact N-O 2.83Å; K308-R315 PolarHBondContact O-N 2.92Å; K308-H317 HydrophobicContact CD-CB 4.45Å |
| 309 | D | 84.1 | Confident | 88.6 | Confident | 93 Ų | 93 | 59.5 Ų | 59.5 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121.1 | 173.2 | -66 | 12.5 | 0 | 0 | 0 | 107.9 | K314 | D309-K314 WeakPolarHBondContact OD1-CG 3.5Å; D309-K314 IonicContact OD1-NZ 3.43Å; D309-K314 PolarHBondContact OD1-NZ 3.34Å; D309-K314 IonicContact OD2-NZ 2.94Å; D309-K314 PolarHBondContact OD2-NZ 3.41Å |
| 310 | T | 85.1 | Confident | 89.2 | Confident | 33 Ų | 33 | 60 Ų | 60 | 20% | 0.202 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 163.5 | 178.5 | 78.6 | 0 | 0 | 0 | 0 | 109.2 | W312 G313 R315 | T310-W312 PolarHBondContact O-N 3.22Å; T310-W312 VanDerWaalsContact O-N 3.08Å; T310-W312 PolarHBondContact OG1-N 3.37Å; T310-G313 WeakPolarHBondContact CB-O 3.38Å; T310-G313 PolarHBondContact N-O 3.26Å; T310-G313 PolarHBondContact O-N 3.08Å; T310-G313 PolarHBondContact OG1-O 3.31Å; T310-R315 HydrophobicContact CG2-CG 4.3Å |
| 311 | R | 83.5 | Confident | 89.5 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 41% | 0.408 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.7 | 173.2 | 63.6 | 166.2 | 175 | 178.3 | -1.9 | 113.7 | L31 E54 Y282 G313 | L31-R311 WeakPolarHBondContact CD1-O 3.24Å; L31-R311 HydrophobicContact CD2-CB 4.31Å; L31-R311 HydrophobicContact CD2-CG 4.17Å; E54-R311 WeakPolarHBondContact OE1-CD 3.32Å; E54-R311 IonicContact OE1-NH1 3.42Å; E54-R311 PolarHBondContact OE1-NH1 3.03Å; Y282-R311 PolarHBondContact OH-O 2.81Å; R311-G313 VanDerWaalsContact C-N 3.32Å |
| 312 | W | 85.5 | Confident | 89.6 | Confident | 112 Ų | 112 | 52.4 Ų | 52.4 | 42% | 0.424 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 10.7 | 177.3 | -50.9 | -80.4 | 0 | 0 | 0 | 113.4 | R281 T310 | R281-W312 WeakPolarHBondContact CD-O 3.2Å; R281-W312 WeakPolarHBondContact CG-O 3.47Å; T310-W312 PolarHBondContact O-N 3.22Å; T310-W312 VanDerWaalsContact O-N 3.08Å; T310-W312 PolarHBondContact OG1-N 3.37Å |
| 313 | G | 87.7 | Confident | 89.4 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.8 | -176.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R281 Y282 T310 R311 | R281-G313 CarbonylContact O-C 3.57Å; R281-G313 VanDerWaalsContact O-CA 3.25Å; R281-G313 WeakPolarHBondContact O-CA 3.49Å; Y282-G313 VanDerWaalsContact CE1-CA 3.45Å; Y282-G313 VanDerWaalsContact CE1-N 3.31Å; T310-G313 WeakPolarHBondContact CB-O 3.38Å; T310-G313 PolarHBondContact N-O 3.26Å; T310-G313 PolarHBondContact O-N 3.08Å; T310-G313 PolarHBondContact OG1-O 3.31Å; R311-G313 VanDerWaalsContact C-N 3.32Å |
| 314 | K | 88.4 | Confident | 89.2 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132.3 | 174.8 | -63.7 | -163.6 | 176.8 | -89.1 | 0 | 110.2 | R281 R283 I285 L307 K308 D309 L333 | R281-K314 PolarHBondContact O-N 3.32Å; R283-K314 WeakPolarHBondContact O-CD 3.31Å; R283-K314 WeakPolarHBondContact O-CE 3.19Å; I285-K314 HydrophobicContact CB-CD 4.38Å; I285-K314 HydrophobicContact CD1-CD 3.65Å; I285-K314 HydrophobicContact CG1-CD 4.01Å; L307-K314 HydrophobicContact CD1-CB 4.34Å; K308-K314 CarbonylContact O-C 3.59Å; K308-K314 WeakPolarHBondContact O-CA 3.48Å; D309-K314 WeakPolarHBondContact OD1-CG 3.5Å; D309-K314 IonicContact OD1-NZ 3.43Å; D309-K314 PolarHBondContact OD1-NZ 3.34Å; D309-K314 IonicContact OD2-NZ 2.94Å; D309-K314 PolarHBondContact OD2-NZ 3.41Å; K314-L333 HydrophobicContact CB-CB 4.49Å; K314-L333 HydrophobicContact CB-CD2 4.33Å; K314-L333 PolarHBondContact O-N 3.38Å |
| 315 | R | 91.1 | Very high | 89.1 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.5 | 179.9 | -54.5 | -177.8 | 98.6 | 89.3 | -13.2 | 110.4 | K308 T310 H317 G330 I331 | K308-R315 PolarHBondContact N-O 2.83Å; K308-R315 PolarHBondContact O-N 2.92Å; T310-R315 HydrophobicContact CG2-CG 4.3Å; R315-H317 PolarHBondContact O-N 3.21Å; R315-G330 PolarHBondContact NE-O 2.74Å; R315-I331 CarbonylContact C-O 3.57Å; R315-I331 WeakPolarHBondContact CA-O 3.32Å; R315-I331 WeakPolarHBondContact CB-O 3.27Å |
| 316 | I | 90.9 | Very high | 89.2 | Confident | 34 Ų | 34 | 68 Ų | 68 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 112.4 | 167.7 | -61.3 | -168.3 | 0 | 0 | 0 | 108.1 | L307 I318 I331 L336 | L307-I316 HydrophobicContact CD1-CG1 3.72Å; I316-I318 HydrophobicContact CG2-CG1 4.15Å; I316-I331 PolarHBondContact N-O 3.15Å; I316-I331 PolarHBondContact O-N 3.06Å; I316-L336 HydrophobicContact CB-CD1 4.44Å; I316-L336 HydrophobicContact CD1-CD1 3.76Å; I316-L336 HydrophobicContact CD1-CD2 3.62Å; I316-L336 HydrophobicContact CD1-CG 4.36Å; I316-L336 HydrophobicContact CG1-CD1 4.3Å |
| 317 | H | 91.9 | Very high | 89.5 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 17% | 0.167 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112.8 | 171.4 | -76.8 | -109.8 | 0 | 0 | 0 | 109.7 | N306 K308 R315 V328 I329 | N306-H317 PolarHBondContact N-O 2.9Å; N306-H317 WeakPolarHBondContact O-CB 3.45Å; N306-H317 PolarHBondContact O-N 2.92Å; K308-H317 HydrophobicContact CD-CB 4.45Å; R315-H317 PolarHBondContact O-N 3.21Å; H317-V328 HydrophobicContact CB-CG1 4.11Å; H317-I329 CarbonylContact C-O 3.57Å; H317-I329 VanDerWaalsContact CA-O 3.27Å; H317-I329 WeakPolarHBondContact CA-O 3.34Å |
| 318 | I | 92.7 | Very high | 89.7 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 17% | 0.174 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 110.4 | 171 | -50.4 | 180 | 0 | 0 | 0 | 106.5 | F305 I316 V328 I329 I331 | F305-I318 HydrophobicContact CD1-CB 4.44Å; F305-I318 HydrophobicContact CD1-CD1 4.17Å; F305-I318 HydrophobicContact CD1-CG1 3.8Å; F305-I318 HydrophobicContact CD1-CG2 4.14Å; F305-I318 HydrophobicContact CE1-CB 4.45Å; F305-I318 HydrophobicContact CE1-CD1 3.9Å; F305-I318 HydrophobicContact CE1-CG1 3.94Å; F305-I318 HydrophobicContact CE1-CG2 3.78Å; F305-I318 HydrophobicContact CZ-CG2 4.2Å; I316-I318 HydrophobicContact CG2-CG1 4.15Å; I318-V328 WeakPolarHBondContact O-CA 3.49Å; I318-I329 HydrophobicContact CB-CD1 4.38Å; I318-I329 HydrophobicContact CB-CG1 3.86Å; I318-I329 HydrophobicContact CD1-CD1 4.33Å; I318-I329 HydrophobicContact CG1-CG1 4.44Å; I318-I329 PolarHBondContact N-O 3.04Å; I318-I329 PolarHBondContact O-N 2.79Å; I318-I331 HydrophobicContact CD1-CD1 3.73Å; I318-I331 HydrophobicContact CG1-CD1 4.48Å |
| 319 | S | 93.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123 | 173.7 | -50.9 | 0 | 0 | 0 | 0 | 109.7 | F303 L304 R326 N327 V328 | F303-S319 CarbonylContact C-O 3.4Å; F303-S319 WeakPolarHBondContact CA-O 3.23Å; L304-S319 PolarHBondContact N-O 2.69Å; L304-S319 PolarHBondContact O-N 3.06Å; S319-R326 PolarHBondContact OG-NH2 3.31Å; S319-R326 VanDerWaalsContact OG-NH2 3.1Å; S319-N327 CarbonylContact C-O 3.51Å; S319-N327 VanDerWaalsContact CA-O 3.28Å; S319-N327 WeakPolarHBondContact CA-O 3.46Å; S319-V328 WeakPolarHBondContact OG-CG2 2.79Å |
| 320 | Q | 94.1 | Very high | 90.5 | Very high | 55 Ų | 55 | 65.2 Ų | 65.2 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.8 | 160.1 | -177.1 | -176.3 | -56.6 | 0 | 0 | 107.9 | R301 F303 R326 N327 | R301-Q320 HydrophobicContact CB-CG 4.4Å; F303-Q320 HydrophobicContact CD1-CB 4.04Å; F303-Q320 HydrophobicContact CD1-CG 4.25Å; F303-Q320 HydrophobicContact CE1-CB 3.8Å; F303-Q320 HydrophobicContact CE1-CG 3.68Å; F303-Q320 HydrophobicContact CZ-CG 4.09Å; Q320-R326 WeakPolarHBondContact O-CA 3.33Å; Q320-N327 PolarHBondContact N-O 2.99Å; Q320-N327 PolarHBondContact O-N 3.12Å |
| 321 | V | 92.7 | Very high | 90.9 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.4 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | R301 R302 L304 R326 | R301-V321 WeakPolarHBondContact CA-O 3.43Å; R302-V321 PolarHBondContact N-O 3.26Å; R302-V321 PolarHBondContact O-N 2.89Å; L304-V321 HydrophobicContact CD1-CG2 3.9Å; L304-V321 HydrophobicContact CG-CG2 4.49Å; V321-R326 HydrophobicContact CG2-CG 4.22Å |
| 322 | T | 90.9 | Very high | 91.3 | Very high | 36 Ų | 36 | 59.8 Ų | 59.8 | 22% | 0.221 | 30% | 0.299 | C | S | . | . | trans | -126.3 | 175.2 | 166.8 | 67 | 0 | 0 | 0 | 0 | 108.5 | R301 L324 H325 | R301-T322 HydrophobicContact CB-CG2 4.26Å; R301-T322 HydrophobicContact CG-CG2 3.9Å; T322-L324 PolarHBondContact O-N 2.91Å; T322-H325 PolarHBondContact N-O 3.16Å; T322-H325 PolarHBondContact OG1-N 3.08Å; T322-H325 VanDerWaalsContact OG1-N 3.08Å; T322-H325 PolarHBondContact OG1-O 3.05Å | ||
| 323 | D | 86.6 | Confident | 91.5 | Very high | 166 Ų | 166 | 56 Ų | 56 | 89% | 0.888 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -61.6 | -26 | 178.9 | -58.8 | -27.7 | 0 | 0 | 0 | 113.3 | ||
| 324 | L | 89.2 | Confident | 91.6 | Very high | 145 Ų | 145 | 57.9 Ų | 57.9 | 76% | 0.759 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -103.7 | -35.3 | -176.5 | -63.8 | 171.3 | 0 | 0 | 0 | 113.5 | T322 | T322-L324 PolarHBondContact O-N 2.91Š|
| 325 | H | 90.4 | Very high | 91.8 | Very high | 132 Ų | 132 | 60.2 Ų | 60.2 | 61% | 0.611 | 31% | 0.309 | S | S | * | . | trans | -139.4 | 151.6 | -165 | -59.3 | -52.9 | 0 | 0 | 0 | 113.2 | T322 | T322-H325 PolarHBondContact N-O 3.16Å; T322-H325 PolarHBondContact OG1-N 3.08Å; T322-H325 VanDerWaalsContact OG1-N 3.08Å; T322-H325 PolarHBondContact OG1-O 3.05Å | ||
| 326 | R | 92 | Very high | 91.7 | Very high | 144 Ų | 144 | 60.9 Ų | 60.9 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 116.8 | 173 | 177.3 | -178.5 | -179.9 | 176 | 8.6 | 110.6 | S319 Q320 V321 V328 | S319-R326 PolarHBondContact OG-NH2 3.31Å; S319-R326 VanDerWaalsContact OG-NH2 3.1Å; Q320-R326 WeakPolarHBondContact O-CA 3.33Å; V321-R326 HydrophobicContact CG2-CG 4.22Å; R326-V328 HydrophobicContact CG-CG2 4.08Å |
| 327 | N | 94.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 64.4 Ų | 64.4 | 34% | 0.337 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 145.8 | 171.7 | -68.2 | -13.5 | 0 | 0 | 0 | 109.8 | S319 Q320 | S319-N327 CarbonylContact C-O 3.51Å; S319-N327 VanDerWaalsContact CA-O 3.28Å; S319-N327 WeakPolarHBondContact CA-O 3.46Å; Q320-N327 PolarHBondContact N-O 2.99Å; Q320-N327 PolarHBondContact O-N 3.12Å |
| 328 | V | 93.2 | Very high | 91.8 | Very high | 65 Ų | 65 | 65 Ų | 65 | 39% | 0.394 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 124 | -179.1 | -171 | 0 | 0 | 0 | 0 | 110.8 | H317 I318 S319 R326 | H317-V328 HydrophobicContact CB-CG1 4.11Å; I318-V328 WeakPolarHBondContact O-CA 3.49Å; S319-V328 WeakPolarHBondContact OG-CG2 2.79Å; R326-V328 HydrophobicContact CG-CG2 4.08Å |
| 329 | I | 94.5 | Very high | 91.8 | Very high | 74 Ų | 74 | 66.2 Ų | 66.2 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 146.1 | 168 | 62.6 | 173.1 | 0 | 0 | 0 | 110.1 | H317 I318 I331 | H317-I329 CarbonylContact C-O 3.57Å; H317-I329 VanDerWaalsContact CA-O 3.27Å; H317-I329 WeakPolarHBondContact CA-O 3.34Å; I318-I329 HydrophobicContact CB-CD1 4.38Å; I318-I329 HydrophobicContact CB-CG1 3.86Å; I318-I329 HydrophobicContact CD1-CD1 4.33Å; I318-I329 HydrophobicContact CG1-CG1 4.44Å; I318-I329 PolarHBondContact N-O 3.04Å; I318-I329 PolarHBondContact O-N 2.79Å; I329-I331 HydrophobicContact CD1-CD1 4.2Å; I329-I331 HydrophobicContact CD1-CG1 4.45Å |
| 330 | G | 92.7 | Very high | 91.9 | Very high | 28 Ų | 28 | 74 Ų | 74 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 92.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R315 | R315-G330 PolarHBondContact NE-O 2.74Å |
| 331 | I | 93.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 74.3 Ų | 74.3 | 8% | 0.077 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.2 | -172.4 | -54 | 174 | 0 | 0 | 0 | 109.7 | R315 I316 I318 I329 L336 F339 | R315-I331 CarbonylContact C-O 3.57Å; R315-I331 WeakPolarHBondContact CA-O 3.32Å; R315-I331 WeakPolarHBondContact CB-O 3.27Å; I316-I331 PolarHBondContact N-O 3.15Å; I316-I331 PolarHBondContact O-N 3.06Å; I318-I331 HydrophobicContact CD1-CD1 3.73Å; I318-I331 HydrophobicContact CG1-CD1 4.48Å; I329-I331 HydrophobicContact CD1-CD1 4.2Å; I329-I331 HydrophobicContact CD1-CG1 4.45Å; I331-L336 HydrophobicContact CG2-CD1 4.22Å; I331-F339 HydrophobicContact CD1-CD1 3.7Å; I331-F339 HydrophobicContact CD1-CD2 4.13Å; I331-F339 HydrophobicContact CD1-CE1 3.38Å; I331-F339 HydrophobicContact CD1-CE2 3.86Å; I331-F339 HydrophobicContact CD1-CG 4.06Å; I331-F339 HydrophobicContact CD1-CZ 3.47Å; I331-F339 VanDerWaalsContact CD1-CZ 3.47Å; I331-F339 HydrophobicContact CG2-CB 4.35Å; I331-F339 HydrophobicContact CG2-CG 4.28Å |
| 332 | P | 92.3 | Very high | 92 | Very high | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.071 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 147 | 174 | -12.3 | 23.6 | 0 | 0 | 0 | 112.3 | E334 D335 L336 | P332-E334 HydrophobicContact CB-CG 3.97Å; P332-E334 WeakPolarHBondContact CB-OE1 3.37Å; P332-E334 VanDerWaalsContact CB-OE2 3.31Å; P332-E334 WeakPolarHBondContact CB-OE2 3.15Å; P332-D335 HydrophobicContact CB-CB 4.28Å; P332-D335 HydrophobicContact CG-CB 4.3Å; P332-D335 PolarHBondContact O-N 3.27Å; P332-L336 PolarHBondContact O-N 3.47Å |
| 333 | L | 89.8 | Confident | 92.1 | Very high | 34 Ų | 34 | 81.2 Ų | 81.2 | 18% | 0.178 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -36.1 | -177.7 | -171.1 | 65 | 0 | 0 | 0 | 112.1 | I285 L307 K314 D335 L336 | I285-L333 HydrophobicContact CD1-CD2 3.64Å; L307-L333 HydrophobicContact CD1-CD1 4.36Å; K314-L333 HydrophobicContact CB-CB 4.49Å; K314-L333 HydrophobicContact CB-CD2 4.33Å; K314-L333 PolarHBondContact O-N 3.38Å; L333-D335 VanDerWaalsContact C-N 3.27Å; L333-D335 PolarHBondContact O-N 3.03Å; L333-L336 HydrophobicContact CD1-CD2 4.26Å; L333-L336 VanDerWaalsContact O-CB 3.29Å; L333-L336 WeakPolarHBondContact O-CB 3.34Å; L333-L336 PolarHBondContact O-N 3.46Å |
| 334 | E | 89.1 | Confident | 92.4 | Very high | 41 Ų | 41 | 76.1 Ų | 76.1 | 19% | 0.192 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -35.9 | 174.3 | 61.5 | -89.1 | -156.1 | 0 | 0 | 113 | D277 T280 R281 P332 | D277-E334 WeakPolarHBondContact OD1-CB 3.42Å; D277-E334 WeakPolarHBondContact OD1-CG 3.49Å; T280-E334 HydrophobicContact CG2-CB 4.33Å; R281-E334 IonicContact CZ-OE1 3.77Å; R281-E334 IonicContact NE-OE1 2.65Å; R281-E334 PolarHBondContact NE-OE1 3.4Å; R281-E334 IonicContact NH1-OE1 2.73Å; R281-E334 IonicContact NH2-OE1 3.18Å; R281-E334 PolarHBondContact NH2-OE1 2.93Å; P332-E334 HydrophobicContact CB-CG 3.97Å; P332-E334 WeakPolarHBondContact CB-OE1 3.37Å; P332-E334 VanDerWaalsContact CB-OE2 3.31Å; P332-E334 WeakPolarHBondContact CB-OE2 3.15Å |
| 335 | D | 92.7 | Very high | 92.6 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 35% | 0.353 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.6 | -177.8 | -85.2 | -32.3 | 0 | 0 | 0 | 112.6 | P332 L333 V337 S338 F339 | P332-D335 HydrophobicContact CB-CB 4.28Å; P332-D335 HydrophobicContact CG-CB 4.3Å; P332-D335 PolarHBondContact O-N 3.27Å; L333-D335 VanDerWaalsContact C-N 3.27Å; L333-D335 PolarHBondContact O-N 3.03Å; D335-V337 VanDerWaalsContact C-N 3.31Å; D335-V337 PolarHBondContact O-N 3.39Å; D335-S338 CarbonylContact O-C 3.59Å; D335-S338 WeakPolarHBondContact O-CA 3.25Å; D335-S338 WeakPolarHBondContact O-CB 3.45Å; D335-S338 PolarHBondContact O-N 3.41Å; D335-S338 PolarHBondContact O-OG 2.92Å; D335-F339 PolarHBondContact O-N 2.86Å |
| 336 | L | 90.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 70.8 Ų | 70.8 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | -165.6 | -165.5 | 77.3 | 0 | 0 | 0 | 113.1 | I316 I331 P332 L333 F339 R340 | I316-L336 HydrophobicContact CB-CD1 4.44Å; I316-L336 HydrophobicContact CD1-CD1 3.76Å; I316-L336 HydrophobicContact CD1-CD2 3.62Å; I316-L336 HydrophobicContact CD1-CG 4.36Å; I316-L336 HydrophobicContact CG1-CD1 4.3Å; I331-L336 HydrophobicContact CG2-CD1 4.22Å; P332-L336 PolarHBondContact O-N 3.47Å; L333-L336 HydrophobicContact CD1-CD2 4.26Å; L333-L336 VanDerWaalsContact O-CB 3.29Å; L333-L336 WeakPolarHBondContact O-CB 3.34Å; L333-L336 PolarHBondContact O-N 3.46Å; L336-F339 PolarHBondContact O-N 3.15Å; L336-R340 WeakPolarHBondContact O-CB 3.13Å; L336-R340 PolarHBondContact O-N 2.84Å |
| 337 | V | 90.4 | Very high | 92.6 | Very high | 109 Ų | 109 | 67 Ų | 67 | 66% | 0.661 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.4 | -45.5 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | D335 F339 R340 S341 | D335-V337 VanDerWaalsContact C-N 3.31Å; D335-V337 PolarHBondContact O-N 3.39Å; V337-F339 VanDerWaalsContact C-N 3.29Å; V337-F339 PolarHBondContact O-N 3.1Å; V337-R340 PolarHBondContact O-N 2.99Å; V337-S341 PolarHBondContact O-N 2.91Å; V337-S341 PolarHBondContact O-OG 3.45Å |
| 338 | S | 92.9 | Very high | 92.4 | Very high | 47 Ų | 47 | 70.1 Ų | 70.1 | 33% | 0.329 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.9 | -31.7 | 177.1 | 84.8 | 0 | 0 | 0 | 0 | 112.8 | D335 R342 | D335-S338 CarbonylContact O-C 3.59Å; D335-S338 WeakPolarHBondContact O-CA 3.25Å; D335-S338 WeakPolarHBondContact O-CB 3.45Å; D335-S338 PolarHBondContact O-N 3.41Å; D335-S338 PolarHBondContact O-OG 2.92Å; S338-R342 WeakPolarHBondContact O-CB 3.05Å; S338-R342 VanDerWaalsContact O-CG 3.32Å; S338-R342 WeakPolarHBondContact O-CG 3.4Å; S338-R342 PolarHBondContact O-N 2.8Å; S338-R342 VanDerWaalsContact O-N 3.15Å; S338-R342 PolarHBondContact O-NE 3.11Å; S338-R342 PolarHBondContact OG-NH2 2.73Å |
| 339 | F | 94.3 | Very high | 92.3 | Very high | 61 Ų | 61 | 71.3 Ų | 71.3 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.8 | -46.9 | 176.3 | 178.4 | -97.3 | 0 | 0 | 0 | 110.2 | I331 D335 L336 V337 R342 L343 | I331-F339 HydrophobicContact CD1-CD1 3.7Å; I331-F339 HydrophobicContact CD1-CD2 4.13Å; I331-F339 HydrophobicContact CD1-CE1 3.38Å; I331-F339 HydrophobicContact CD1-CE2 3.86Å; I331-F339 HydrophobicContact CD1-CG 4.06Å; I331-F339 HydrophobicContact CD1-CZ 3.47Å; I331-F339 VanDerWaalsContact CD1-CZ 3.47Å; I331-F339 HydrophobicContact CG2-CB 4.35Å; I331-F339 HydrophobicContact CG2-CG 4.28Å; D335-F339 PolarHBondContact O-N 2.86Å; L336-F339 PolarHBondContact O-N 3.15Å; V337-F339 VanDerWaalsContact C-N 3.29Å; V337-F339 PolarHBondContact O-N 3.1Å; F339-R342 PolarHBondContact O-N 2.87Å; F339-L343 HydrophobicContact CD1-CD1 3.99Å; F339-L343 HydrophobicContact CD1-CG 4.46Å; F339-L343 HydrophobicContact CE1-CD1 3.33Å; F339-L343 HydrophobicContact CE1-CG 4.03Å; F339-L343 HydrophobicContact CZ-CD1 3.75Å; F339-L343 HydrophobicContact CZ-CD2 4.46Å; F339-L343 HydrophobicContact CZ-CG 4.13Å; F339-L343 PolarHBondContact O-N 2.65Å |
| 340 | R | 93.7 | Very high | 92.1 | Very high | 165 Ų | 165 | 73.2 Ų | 73.2 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -55.9 | -54.4 | 171.8 | -179.7 | -170.1 | 161.3 | -178.2 | 1.3 | 111.2 | L336 V337 R342 L343 D344 | L336-R340 WeakPolarHBondContact O-CB 3.13Å; L336-R340 PolarHBondContact O-N 2.84Å; V337-R340 PolarHBondContact O-N 2.99Å; R340-R342 PolarHBondContact O-N 3.48Å; R340-R342 VanDerWaalsContact O-N 3.17Å; R340-L343 CarbonylContact O-C 3.5Å; R340-L343 WeakPolarHBondContact O-CB 3.19Å; R340-L343 PolarHBondContact O-N 2.96Å; R340-D344 WeakPolarHBondContact CG-OD2 3.23Å; R340-D344 IonicContact CZ-OD2 3.85Å; R340-D344 IonicContact NE-OD2 3.37Å; R340-D344 PolarHBondContact NE-OD2 3.27Å; R340-D344 IonicContact NH2-OD2 2.94Å; R340-D344 VanDerWaalsContact O-CG 3.31Å; R340-D344 PolarHBondContact O-N 2.74Å |
| 341 | S | 94.5 | Very high | 91.6 | Very high | 60 Ų | 60 | 73.9 Ų | 73.9 | 42% | 0.42 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -32 | -178.4 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | V337 T345 | V337-S341 PolarHBondContact O-N 2.91Å; V337-S341 PolarHBondContact O-OG 3.45Å; S341-T345 WeakPolarHBondContact O-CB 3.28Å; S341-T345 PolarHBondContact O-N 2.92Å; S341-T345 PolarHBondContact O-OG1 3.03Å |
| 342 | R | 94.9 | Very high | 91 | Very high | 143 Ų | 143 | 76 Ų | 76 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 172.8 | -77.9 | 177.4 | -75.5 | 175.6 | -6 | 112.5 | S338 F339 R340 T345 V346 | S338-R342 WeakPolarHBondContact O-CB 3.05Å; S338-R342 VanDerWaalsContact O-CG 3.32Å; S338-R342 WeakPolarHBondContact O-CG 3.4Å; S338-R342 PolarHBondContact O-N 2.8Å; S338-R342 VanDerWaalsContact O-N 3.15Å; S338-R342 PolarHBondContact O-NE 3.11Å; S338-R342 PolarHBondContact OG-NH2 2.73Å; F339-R342 PolarHBondContact O-N 2.87Å; R340-R342 PolarHBondContact O-N 3.48Å; R340-R342 VanDerWaalsContact O-N 3.17Å; R342-T345 PolarHBondContact O-N 2.99Å; R342-V346 WeakPolarHBondContact O-CG2 3.39Å; R342-V346 PolarHBondContact O-N 3.47Å |
| 343 | L | 93.5 | Very high | 90.1 | Very high | 82 Ų | 82 | 79.8 Ų | 79.8 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 172.6 | -75.2 | -178 | 0 | 0 | 0 | 111.7 | F339 R340 T345 V346 I347 | F339-L343 HydrophobicContact CD1-CD1 3.99Å; F339-L343 HydrophobicContact CD1-CG 4.46Å; F339-L343 HydrophobicContact CE1-CD1 3.33Å; F339-L343 HydrophobicContact CE1-CG 4.03Å; F339-L343 HydrophobicContact CZ-CD1 3.75Å; F339-L343 HydrophobicContact CZ-CD2 4.46Å; F339-L343 HydrophobicContact CZ-CG 4.13Å; F339-L343 PolarHBondContact O-N 2.65Å; R340-L343 CarbonylContact O-C 3.5Å; R340-L343 WeakPolarHBondContact O-CB 3.19Å; R340-L343 PolarHBondContact O-N 2.96Å; L343-T345 VanDerWaalsContact C-N 3.28Å; L343-T345 PolarHBondContact O-N 3Å; L343-V346 PolarHBondContact O-N 3.39Å; L343-V346 VanDerWaalsContact O-N 3.08Å; L343-I347 WeakPolarHBondContact O-CB 3.49Å; L343-I347 VanDerWaalsContact O-CG1 3.31Å; L343-I347 WeakPolarHBondContact O-CG1 3.04Å; L343-I347 PolarHBondContact O-N 3.47Å |
| 344 | D | 92.9 | Very high | 88.8 | Confident | 60 Ų | 60 | 84.2 Ų | 84.2 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.1 | -46.4 | 176.3 | -65.6 | -14.5 | 0 | 0 | 0 | 109.8 | R340 V346 I347 K348 | R340-D344 WeakPolarHBondContact CG-OD2 3.23Å; R340-D344 IonicContact CZ-OD2 3.85Å; R340-D344 IonicContact NE-OD2 3.37Å; R340-D344 PolarHBondContact NE-OD2 3.27Å; R340-D344 IonicContact NH2-OD2 2.94Å; R340-D344 VanDerWaalsContact O-CG 3.31Å; R340-D344 PolarHBondContact O-N 2.74Å; D344-V346 PolarHBondContact O-N 2.85Å; D344-I347 PolarHBondContact O-N 2.81Å; D344-K348 WeakPolarHBondContact O-CG 3.48Å; D344-K348 PolarHBondContact O-N 2.98Å |
| 345 | T | 93.6 | Very high | 87.2 | Confident | 93 Ų | 93 | 85.9 Ų | 85.9 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.3 | -43.7 | 175.6 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | S341 R342 L343 S349 | S341-T345 WeakPolarHBondContact O-CB 3.28Å; S341-T345 PolarHBondContact O-N 2.92Å; S341-T345 PolarHBondContact O-OG1 3.03Å; R342-T345 PolarHBondContact O-N 2.99Å; L343-T345 VanDerWaalsContact C-N 3.28Å; L343-T345 PolarHBondContact O-N 3Å; T345-S349 WeakPolarHBondContact O-CB 3.19Å; T345-S349 PolarHBondContact O-N 3Å; T345-S349 PolarHBondContact O-OG 3Å |
| 346 | V | 93.4 | Very high | 85.2 | Confident | 72 Ų | 72 | 91.9 Ų | 91.9 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 178.3 | 170.8 | 0 | 0 | 0 | 0 | 111 | R342 L343 D344 K348 S349 L350 | R342-V346 WeakPolarHBondContact O-CG2 3.39Å; R342-V346 PolarHBondContact O-N 3.47Å; L343-V346 PolarHBondContact O-N 3.39Å; L343-V346 VanDerWaalsContact O-N 3.08Å; D344-V346 PolarHBondContact O-N 2.85Å; V346-K348 VanDerWaalsContact C-N 3.33Å; V346-K348 PolarHBondContact O-N 3.15Å; V346-S349 WeakPolarHBondContact CA-OG 3.48Å; V346-S349 PolarHBondContact O-N 2.79Å; V346-S349 PolarHBondContact O-OG 3.22Å; V346-L350 HydrophobicContact CG1-CD1 3.72Å; V346-L350 HydrophobicContact CG1-CG 4.38Å; V346-L350 WeakPolarHBondContact O-CB 3.41Å; V346-L350 WeakPolarHBondContact O-CG 3.4Å; V346-L350 PolarHBondContact O-N 3.44Å |
| 347 | I | 89.1 | Confident | 83.3 | Confident | 65 Ų | 65 | 92.8 Ų | 92.8 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 177.8 | -72.1 | 165.1 | 0 | 0 | 0 | 110.7 | L343 D344 G351 L352 E353 | L343-I347 WeakPolarHBondContact O-CB 3.49Å; L343-I347 VanDerWaalsContact O-CG1 3.31Å; L343-I347 WeakPolarHBondContact O-CG1 3.04Å; L343-I347 PolarHBondContact O-N 3.47Å; D344-I347 PolarHBondContact O-N 2.81Å; I347-G351 PolarHBondContact O-N 3.43Å; I347-L352 HydrophobicContact CG2-CB 4.17Å; I347-L352 PolarHBondContact O-N 2.78Å; I347-E353 HydrophobicContact CG2-CG 3.75Å |
| 348 | K | 90 | Very high | 81.3 | Confident | 128 Ų | 128 | 92.7 Ų | 92.7 | 56% | 0.557 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.4 | -53.1 | 173.7 | -55.3 | -121.4 | 176.5 | -123.6 | 0 | 111.4 | D344 V346 L350 G351 E353 | D344-K348 WeakPolarHBondContact O-CG 3.48Å; D344-K348 PolarHBondContact O-N 2.98Å; V346-K348 VanDerWaalsContact C-N 3.33Å; V346-K348 PolarHBondContact O-N 3.15Å; K348-L350 PolarHBondContact O-N 3.05Å; K348-L350 VanDerWaalsContact O-N 3.15Å; K348-G351 PolarHBondContact O-N 2.87Å; K348-E353 VanDerWaalsContact CD-OE1 3.28Å; K348-E353 WeakPolarHBondContact CD-OE1 3.48Å; K348-E353 VanDerWaalsContact CE-OE1 3.24Å; K348-E353 WeakPolarHBondContact CE-OE1 3.39Å; K348-E353 WeakPolarHBondContact CG-OE1 3.31Å; K348-E353 IonicContact NZ-OE1 3.2Å; K348-E353 PolarHBondContact NZ-OE1 3.16Å |
| 349 | S | 91.7 | Very high | 79.1 | Confident | 90 Ų | 90 | 95.3 Ų | 95.3 | 63% | 0.629 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -22 | -173.3 | 69.2 | 0 | 0 | 0 | 0 | 114.2 | T345 V346 | T345-S349 WeakPolarHBondContact O-CB 3.19Å; T345-S349 PolarHBondContact O-N 3Å; T345-S349 PolarHBondContact O-OG 3Å; V346-S349 WeakPolarHBondContact CA-OG 3.48Å; V346-S349 PolarHBondContact O-N 2.79Å; V346-S349 PolarHBondContact O-OG 3.22Å |
| 350 | L | 89.1 | Confident | 77 | Confident | 113 Ų | 113 | 96.1 Ų | 96.1 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 4.7 | 178.8 | -65.1 | 177.7 | 0 | 0 | 0 | 113.2 | V346 K348 L352 | V346-L350 HydrophobicContact CG1-CD1 3.72Å; V346-L350 HydrophobicContact CG1-CG 4.38Å; V346-L350 WeakPolarHBondContact O-CB 3.41Å; V346-L350 WeakPolarHBondContact O-CG 3.4Å; V346-L350 PolarHBondContact O-N 3.44Å; K348-L350 PolarHBondContact O-N 3.05Å; K348-L350 VanDerWaalsContact O-N 3.15Å; L350-L352 HydrophobicContact CB-CD1 3.92Å; L350-L352 HydrophobicContact CB-CG 3.75Å; L350-L352 HydrophobicContact CD1-CD1 4.03Å; L350-L352 PolarHBondContact O-N 3.07Å |
| 351 | G | 83.5 | Confident | 74.7 | Confident | 42 Ų | 42 | 92 Ų | 92 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 26.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I347 K348 E353 | I347-G351 PolarHBondContact O-N 3.43Å; K348-G351 PolarHBondContact O-N 2.87Å; G351-E353 PolarHBondContact O-N 2.77Å |
| 352 | L | 80.3 | Confident | 72.5 | Confident | 60 Ų | 60 | 93.5 Ų | 93.5 | 31% | 0.314 | 50% | 0.498 | S | S | . | . | trans | -79 | -3.4 | -175.7 | -64 | 175.5 | 0 | 0 | 0 | 113.2 | I347 L350 | I347-L352 HydrophobicContact CG2-CB 4.17Å; I347-L352 PolarHBondContact O-N 2.78Å; L350-L352 HydrophobicContact CB-CD1 3.92Å; L350-L352 HydrophobicContact CB-CG 3.75Å; L350-L352 HydrophobicContact CD1-CD1 4.03Å; L350-L352 PolarHBondContact O-N 3.07Å | ||
| 353 | E | 72.8 | Confident | 70 | Confident | 90 Ų | 90 | 92 Ų | 92 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -65.9 | -46.5 | 179.8 | -59.6 | -178.2 | 130.7 | 0 | 0 | 111 | I347 K348 G351 Q355 Y356 | I347-E353 HydrophobicContact CG2-CG 3.75Å; K348-E353 VanDerWaalsContact CD-OE1 3.28Å; K348-E353 WeakPolarHBondContact CD-OE1 3.48Å; K348-E353 VanDerWaalsContact CE-OE1 3.24Å; K348-E353 WeakPolarHBondContact CE-OE1 3.39Å; K348-E353 WeakPolarHBondContact CG-OE1 3.31Å; K348-E353 IonicContact NZ-OE1 3.2Å; K348-E353 PolarHBondContact NZ-OE1 3.16Å; G351-E353 PolarHBondContact O-N 2.77Å; E353-Q355 PolarHBondContact O-N 3.39Å; E353-Y356 WeakPolarHBondContact O-CB 3.23Å; E353-Y356 PolarHBondContact O-N 2.84Å; E353-Y356 VanDerWaalsContact O-N 3.08Å |
| 354 | D | 61.8 | Low | 67.4 | Low | 127 Ų | 127 | 90.4 Ų | 90.4 | 68% | 0.679 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.7 | -178.7 | -64.5 | -29.8 | 0 | 0 | 0 | 113.4 | Y356 A357 I358 | D354-Y356 PolarHBondContact O-N 2.86Å; D354-Y356 VanDerWaalsContact O-N 3.11Å; D354-A357 PolarHBondContact O-N 3.1Å; D354-A357 VanDerWaalsContact O-N 3.15Å; D354-I358 PolarHBondContact O-N 2.95Å |
| 355 | Q | 55.4 | Low | 64.8 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -15.3 | 174 | -61 | -165.2 | 11 | 0 | 0 | 112.4 | E353 I358 R359 | E353-Q355 PolarHBondContact O-N 3.39Å; Q355-I358 PolarHBondContact O-N 3.06Å; Q355-R359 VanDerWaalsContact O-CB 3.23Å; Q355-R359 WeakPolarHBondContact O-CB 3.32Å; Q355-R359 WeakPolarHBondContact O-CD 3.44Å; Q355-R359 WeakPolarHBondContact O-CG 3.49Å; Q355-R359 PolarHBondContact O-N 2.82Å |
| 356 | Y | 51.7 | Low | 62.3 | Low | 193 Ų | 193 | 93.8 Ų | 93.8 | 76% | 0.757 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 173.6 | -133.5 | -84.8 | 0 | 0 | 0 | 112 | E353 D354 R359 S360 | E353-Y356 WeakPolarHBondContact O-CB 3.23Å; E353-Y356 PolarHBondContact O-N 2.84Å; E353-Y356 VanDerWaalsContact O-N 3.08Å; D354-Y356 PolarHBondContact O-N 2.86Å; D354-Y356 VanDerWaalsContact O-N 3.11Å; Y356-R359 PolarHBondContact O-N 3.2Å; Y356-S360 PolarHBondContact O-N 2.89Å; Y356-S360 VanDerWaalsContact O-N 3.1Å; Y356-S360 PolarHBondContact O-OG 3.08Å |
| 357 | A | 49.5 | Very low | 59.9 | Low | 72 Ų | 72 | 98.7 Ų | 98.7 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72.9 | -33.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D354 R359 S360 | D354-A357 PolarHBondContact O-N 3.1Å; D354-A357 VanDerWaalsContact O-N 3.15Å; A357-R359 VanDerWaalsContact C-N 3.34Å; A357-S360 PolarHBondContact O-OG 3.3Å |
| 358 | I | 48.7 | Very low | 57.4 | Low | 107 Ų | 107 | 103 Ų | 103 | 55% | 0.549 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.2 | -28.8 | 174.6 | -57.7 | 172 | 0 | 0 | 0 | 111.1 | D354 Q355 S361 I362 | D354-I358 PolarHBondContact O-N 2.95Å; Q355-I358 PolarHBondContact O-N 3.06Å; I358-S361 PolarHBondContact O-OG 3.45Å; I358-I362 WeakPolarHBondContact O-CD1 3.33Å; I358-I362 WeakPolarHBondContact O-CG1 3.33Å |
| 359 | R | 47.8 | Very low | 54.8 | Low | 102 Ų | 102 | 107.2 Ų | 107.2 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -84.8 | -28.6 | -179.5 | -71.1 | 164.3 | -171.1 | -164.4 | 2.7 | 113.6 | I297 Q355 Y356 A357 I362 H363 | I297-R359 HydrophobicContact CD1-CG 4.08Å; Q355-R359 VanDerWaalsContact O-CB 3.23Å; Q355-R359 WeakPolarHBondContact O-CB 3.32Å; Q355-R359 WeakPolarHBondContact O-CD 3.44Å; Q355-R359 WeakPolarHBondContact O-CG 3.49Å; Q355-R359 PolarHBondContact O-N 2.82Å; Y356-R359 PolarHBondContact O-N 3.2Å; A357-R359 VanDerWaalsContact C-N 3.34Å; R359-I362 PolarHBondContact O-N 3.39Å; R359-H363 PolarHBondContact O-N 2.91Å |
| 360 | S | 49 | Very low | 52.1 | Low | 78 Ų | 78 | 107 Ų | 107 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.3 | -37.8 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | Y356 A357 I362 H363 | Y356-S360 PolarHBondContact O-N 2.89Å; Y356-S360 VanDerWaalsContact O-N 3.1Å; Y356-S360 PolarHBondContact O-OG 3.08Å; A357-S360 PolarHBondContact O-OG 3.3Å; S360-I362 VanDerWaalsContact C-N 3.32Å; S360-I362 PolarHBondContact O-N 2.88Å; S360-H363 PolarHBondContact O-N 2.98Å |
| 361 | S | 46.4 | Very low | 49.5 | Very low | 79 Ų | 79 | 108 Ų | 108 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -32.4 | 175.3 | 65.4 | 0 | 0 | 0 | 0 | 113.2 | I358 H363 G364 | I358-S361 PolarHBondContact O-OG 3.45Å; S361-H363 VanDerWaalsContact C-N 3.32Å; S361-H363 PolarHBondContact O-N 3.45Å; S361-G364 PolarHBondContact O-N 3.27Å |
| 362 | I | 47.9 | Very low | 47.1 | Very low | 91 Ų | 91 | 114.2 Ų | 114.2 | 47% | 0.467 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.1 | -33.8 | 176.6 | -65 | 169 | 0 | 0 | 0 | 111.6 | I358 R359 S360 | I358-I362 WeakPolarHBondContact O-CD1 3.33Å; I358-I362 WeakPolarHBondContact O-CG1 3.33Å; R359-I362 PolarHBondContact O-N 3.39Å; S360-I362 VanDerWaalsContact C-N 3.32Å; S360-I362 PolarHBondContact O-N 2.88Å |
| 363 | H | 42.4 | Very low | 45 | Very low | 113 Ų | 113 | 119.8 Ų | 119.8 | 52% | 0.523 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.2 | -24 | -179.1 | -80 | 43 | 0 | 0 | 0 | 113.9 | R359 S360 S361 N365 T366 | R359-H363 PolarHBondContact O-N 2.91Å; S360-H363 PolarHBondContact O-N 2.98Å; S361-H363 VanDerWaalsContact C-N 3.32Å; S361-H363 PolarHBondContact O-N 3.45Å; H363-N365 PolarHBondContact O-N 3.43Å; H363-N365 VanDerWaalsContact O-N 3.16Å; H363-T366 WeakPolarHBondContact CA-OG1 3.44Å; H363-T366 PolarHBondContact O-N 3.46Å; H363-T366 PolarHBondContact O-OG1 3.16Å |
| 364 | G | 39.6 | Very low | 43.1 | Very low | 48 Ų | 48 | 124.4 Ų | 124.4 | 50% | 0.495 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -22.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S361 | S361-G364 PolarHBondContact O-N 3.27Š|
| 365 | N | 37.4 | Very low | 41.7 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -3 | 177.5 | -74 | -7 | 0 | 0 | 0 | 114.1 | H363 | H363-N365 PolarHBondContact O-N 3.43Å; H363-N365 VanDerWaalsContact O-N 3.16Å |
| 366 | T | 41.9 | Very low | 40.4 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 49% | 0.485 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.5 | -14.7 | -179.5 | 32 | 0 | 0 | 0 | 0 | 115.3 | H363 N368 R369 | H363-T366 WeakPolarHBondContact CA-OG1 3.44Å; H363-T366 PolarHBondContact O-N 3.46Å; H363-T366 PolarHBondContact O-OG1 3.16Å; T366-N368 PolarHBondContact O-N 3.03Å; T366-R369 PolarHBondContact O-N 2.87Å |
| 367 | E | 41.3 | Very low | 39.3 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -20.2 | 177.4 | -67.9 | -171.3 | 140 | 0 | 0 | 113.2 | R369 | E367-R369 VanDerWaalsContact C-N 3.32Å; E367-R369 PolarHBondContact O-N 3.29Å |
| 368 | N | 36.9 | Very low | 38.5 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 84% | 0.84 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -0.6 | 171.6 | -81.6 | -28.3 | 0 | 0 | 0 | 114.6 | T366 S370 | T366-N368 PolarHBondContact O-N 3.03Å; N368-S370 PolarHBondContact O-N 3.2Å |
| 369 | R | 36.4 | Very low | 37.8 | Very low | 216 Ų | 216 | 136.1 Ų | 136.1 | 82% | 0.815 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -83.2 | 77 | 170.4 | -160.3 | 172.5 | -168.1 | 174 | 3.5 | 109.5 | T366 E367 T371 | T366-R369 PolarHBondContact O-N 2.87Å; E367-R369 VanDerWaalsContact C-N 3.32Å; E367-R369 PolarHBondContact O-N 3.29Å; R369-T371 PolarHBondContact O-N 2.92Å |
| 370 | S | 35 | Very low | 36.8 | Very low | 84 Ų | 84 | 136.3 Ų | 136.3 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | trans | -45.4 | 131.4 | 173.9 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | N368 H372 | N368-S370 PolarHBondContact O-N 3.2Å; S370-H372 VanDerWaalsContact C-N 3.27Å; S370-H372 PolarHBondContact O-N 3.44Å | ||
| 371 | T | 34.5 | Very low | 36.1 | Very low | 134 Ų | 134 | 138 Ų | 138 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -67.4 | 93.1 | 170.3 | 51.2 | 0 | 0 | 0 | 0 | 107.9 | R369 K373 | R369-T371 PolarHBondContact O-N 2.92Å; T371-K373 PolarHBondContact O-N 3.45Å | ||
| 372 | H | 33.3 | Very low | 35.6 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -64.2 | 76 | 159 | -103.9 | -76.9 | 0 | 0 | 0 | 108.2 | S370 E374 | S370-H372 VanDerWaalsContact C-N 3.27Å; S370-H372 PolarHBondContact O-N 3.44Å; H372-E374 PolarHBondContact O-N 2.82Å; H372-E374 VanDerWaalsContact O-N 3.13Å | ||
| 373 | K | 35.6 | Very low | 34.6 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -65.1 | 106.7 | 162 | -151.1 | 177.2 | -169.3 | 177.6 | 0 | 103.8 | T371 Q375 | T371-K373 PolarHBondContact O-N 3.45Å; K373-Q375 PolarHBondContact O-N 3.02Å | ||
| 374 | E | 32.9 | Very low | 34.2 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -58.9 | 91.6 | 169.1 | -73.2 | -177.5 | 131.8 | 0 | 0 | 108 | H372 R376 | H372-E374 PolarHBondContact O-N 2.82Å; H372-E374 VanDerWaalsContact O-N 3.13Å; E374-R376 PolarHBondContact O-N 3.25Å | ||
| 375 | Q | 31.6 | Very low | 33.8 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -62.6 | 109.2 | 160 | -78.8 | -176.2 | -18.1 | 0 | 0 | 105.6 | K373 T377 | K373-Q375 PolarHBondContact O-N 3.02Å; Q375-T377 PolarHBondContact O-N 3.16Å | ||
| 376 | R | 29.2 | Very low | 33.6 | Very low | 235 Ų | 235 | 147.7 Ų | 147.7 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -51 | 110 | 163.5 | -86.7 | -179.6 | 163.9 | -177.6 | -5.9 | 107.8 | E374 T378 | E374-R376 PolarHBondContact O-N 3.25Å; R376-T378 PolarHBondContact O-N 3.06Å | ||
| 377 | T | 28.5 | Very low | 33.2 | Very low | 139 Ų | 139 | 150 Ų | 150 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -61.2 | 98.6 | 171.8 | 7.8 | 0 | 0 | 0 | 0 | 108.8 | Q375 V379 | Q375-T377 PolarHBondContact O-N 3.16Å; T377-V379 PolarHBondContact O-N 3.31Å | ||
| 378 | T | 32.4 | Very low | 32.5 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 123.8 | 158.8 | 36.4 | 0 | 0 | 0 | 0 | 108.2 | R376 | R376-T378 PolarHBondContact O-N 3.06Š|
| 379 | V | 33.3 | Very low | 32.2 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 134.9 | -176.5 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | T377 | T377-V379 PolarHBondContact O-N 3.31Š|
| 380 | S | 26.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 142.7 | 175.7 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 381 | S | 35.9 | Very low | 31.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -129.1 | 101.8 | 158.1 | -65.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 382 | Q | 34.7 | Very low | 31.3 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | 35.2 | 129.6 | 148.5 | -67.2 | -175.7 | -86.1 | 0 | 0 | 122.8 | ||||
| 383 | D | 26.8 | Very low | 31 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 80% | 0.796 | S | S | * | * | trans | 55.3 | 120.8 | 134.2 | -49.7 | -36.2 | 0 | 0 | 0 | 118.9 | ||||
| 384 | T | 34.1 | Very low | 30.7 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | -159.2 | 166.8 | 67 | 29.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 385 | S | 32 | Very low | 30.4 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -77.4 | 154.2 | -169 | 58.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 386 | N | 32.4 | Very low | 30.2 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | -179.3 | 143.8 | 87 | -97.8 | -20.6 | 0 | 0 | 0 | 115.8 | |||||
| 387 | V | 33.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 72.8 | 96 | 139.9 | -176.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 388 | S | 27.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 70.8 | 127.2 | 117.7 | -154.1 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 389 | G | 29.7 | Very low | 30.1 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 97.7 | 136.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 390 | G | 28.2 | Very low | 30.1 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | cis | 168.4 | 125.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 391 | V | 31.7 | Very low | 30.1 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | 59.9 | 110.2 | 149.8 | -170.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 392 | N | 26.8 | Very low | 30 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 53.5 | 134.4 | 141 | -55 | -5.2 | 0 | 0 | 0 | 124.6 | ||||
| 393 | G | 27.7 | Very low | 29.8 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 162 | 90.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 394 | I | 29 | Very low | 30.1 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | 86.7 | 109.8 | 98.4 | -70 | 168.2 | 0 | 0 | 0 | 115.1 | |||||
| 395 | E | 26 | Very low | 29.8 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | 43.9 | 137.8 | 140.7 | -76.9 | -179.2 | 140.4 | 0 | 0 | 126.7 | ||||
| 396 | I | 28.4 | Very low | 29.8 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | 92.1 | 151.6 | 137.2 | -71.9 | 163.5 | 0 | 0 | 0 | 120.7 | ||||
| 397 | D | 30.7 | Very low | 29.7 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 69.1 | 117.2 | -179.1 | -61.8 | -23.1 | 0 | 0 | 0 | 117.6 | ||||
| 398 | E | 29.9 | Very low | 29.4 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | 78.4 | 139.1 | 61.2 | -78.1 | -143.5 | 147.7 | 0 | 0 | 114.9 | |||||
| 399 | E | 27.1 | Very low | 29.8 | Very low | 169 Ų | 169 | 139 Ų | 139 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 63.6 | 123.8 | 176.3 | -163 | 162 | -133.5 | 0 | 0 | 118.9 | ||||
| 400 | N | 33.5 | Very low | 30 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | -168.5 | 87.5 | 128.1 | -104 | -66 | 0 | 0 | 0 | 111.7 | L402 | N400-L402 PolarHBondContact O-N 3.5Š| |||
| 401 | N | 27 | Very low | 30.1 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -83.6 | 93.9 | 151.4 | -87.1 | -58.7 | 0 | 0 | 0 | 107.7 | ||||
| 402 | L | 32.7 | Very low | 30.2 | Very low | 148 Ų | 148 | 150.5 Ų | 150.5 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -118.1 | 130.7 | 166 | -120 | 86.2 | 0 | 0 | 0 | 112.3 | N400 | N400-L402 PolarHBondContact O-N 3.5Š| ||
| 403 | I | 31.6 | Very low | 30.5 | Very low | 143 Ų | 143 | 152 Ų | 152 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -87.3 | 112.5 | 175.4 | -68.6 | 166.5 | 0 | 0 | 0 | 107.4 | T405 | I403-T405 HydrophobicContact CG2-CG2 3.8Å; I403-T405 PolarHBondContact O-N 2.99Å | ||
| 404 | D | 31.9 | Very low | 30.7 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -75.9 | 89.7 | 174.2 | -119.3 | -22.3 | 0 | 0 | 0 | 110.3 | ||||
| 405 | T | 27.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -123.4 | 78.5 | 169.3 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | I403 | I403-T405 HydrophobicContact CG2-CG2 3.8Å; I403-T405 PolarHBondContact O-N 2.99Å | ||
| 406 | S | 32.7 | Very low | 31.1 | Very low | 89 Ų | 89 | 158.2 Ų | 158.2 | 62% | 0.622 | 81% | 0.812 | S | S | * | * | trans | -146.3 | 98.5 | 163.4 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 407 | N | 29.6 | Very low | 31.5 | Very low | 169 Ų | 169 | 158 Ų | 158 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -163.9 | 70.9 | 145.4 | -104.7 | -31.3 | 0 | 0 | 0 | 112.2 | ||||
| 408 | T | 28.6 | Very low | 31.8 | Very low | 138 Ų | 138 | 162.6 Ų | 162.6 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | trans | -134.3 | 90.7 | 166.7 | 41 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 409 | K | 36.2 | Very low | 32.2 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -155.3 | 97.3 | 160.4 | -114.4 | 167.3 | -173.1 | 176.3 | 0 | 112.5 | ||||
| 410 | N | 32.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 156.6 Ų | 156.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 36.4 | 111.3 | 138.2 | -55.1 | -8.6 | 0 | 0 | 0 | 119.3 | ||||
| 411 | R | 31.5 | Very low | 32.5 | Very low | 251 Ų | 251 | 160.9 Ų | 160.9 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | trans | -146.8 | 112.2 | 138.5 | -120.1 | 173.6 | 179.4 | 158.7 | -0.1 | 111 | ||||
| 412 | T | 33.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 159.4 Ų | 159.4 | 72% | 0.724 | 82% | 0.821 | S | S | * | * | trans | -100.3 | 165 | 169.2 | 39.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 413 | H | 33.5 | Very low | 32.6 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | 82.9 | 132.6 | 180 | -54.4 | -78.9 | 0 | 0 | 0 | 116.9 | ||||
| 414 | G | 32 | Very low | 32.5 | Very low | 82 Ų | 82 | 156 Ų | 156 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 147.6 | 72.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 415 | R | 29.9 | Very low | 32.5 | Very low | 241 Ų | 241 | 153.5 Ų | 153.5 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -95.2 | 110.3 | -176.8 | 176.9 | -161.9 | -165.9 | -155.7 | 8.6 | 109.5 | ||||
| 416 | E | 33.9 | Very low | 32.8 | Very low | 196 Ų | 196 | 154.3 Ų | 154.3 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | trans | -145.5 | 153.1 | 168.4 | -128.1 | 166.7 | -132.3 | 0 | 0 | 114 | ||||
| 417 | V | 36 | Very low | 32.7 | Very low | 129 Ų | 129 | 157 Ų | 157 | 78% | 0.782 | 83% | 0.834 | S | S | * | * | trans | -124 | 132.8 | -158.2 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 418 | R | 36 | Very low | 32.8 | Very low | 234 Ų | 234 | 157.2 Ų | 157.2 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -61.8 | 160.2 | 177 | -66.1 | 175.2 | 164.2 | 160.3 | -5.4 | 112.7 | ||||
| 419 | P | 40.1 | Very low | 32.7 | Very low | 119 Ų | 119 | 157.3 Ų | 157.3 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | -151 | 133.9 | 99 | 34.3 | -14.8 | 0 | 0 | 0 | 118.7 | |||||
| 420 | S | 33.8 | Very low | 32.6 | Very low | 109 Ų | 109 | 156.6 Ų | 156.6 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | 50.5 | 107.6 | 125.7 | -52.8 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 421 | R | 33 | Very low | 32.5 | Very low | 227 Ų | 227 | 157.5 Ų | 157.5 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | 85.5 | 123.8 | 109.9 | -143.3 | -162.5 | -177.7 | -175.3 | -1.8 | 123.5 | |||||
| 422 | T | 30.5 | Very low | 32.6 | Very low | 128 Ų | 128 | 150.3 Ų | 150.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 84.8 | 135.9 | 141.9 | 27.6 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 423 | G | 29.9 | Very low | 32.5 | Very low | 71 Ų | 71 | 155.4 Ų | 155.4 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | 113.6 | 111.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 424 | V | 30 | Very low | 32.4 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | cis | 101 | 98.6 | 25.7 | -177.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 425 | S | 32.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 156.1 Ų | 156.1 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -175.8 | 152.6 | 161.3 | 53.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 426 | T | 32.7 | Very low | 32.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | cis | -148.8 | -172.7 | -17.1 | -0.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 427 | L | 29.8 | Very low | 32.4 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -93.1 | 161.5 | -179.9 | -76.3 | 94.6 | 0 | 0 | 0 | 115.3 | ||||
| 428 | N | 31.5 | Very low | 32.2 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | -150.9 | 153.1 | 123.8 | -106.1 | -20.7 | 0 | 0 | 0 | 111.2 | |||||
| 429 | N | 26.7 | Very low | 32 | Very low | 139 Ų | 139 | 147 Ų | 147 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -148.2 | 148.3 | -161.5 | -164.9 | 19.8 | 0 | 0 | 0 | 112.8 | ||||
| 430 | K | 35.1 | Very low | 31.8 | Very low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -169 | 112.7 | 163.9 | -103.3 | 178.5 | 178.5 | -177.8 | 0 | 107.2 | ||||
| 431 | E | 30.7 | Very low | 31.8 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | 61.2 | 132 | 89.3 | -73.3 | -176.3 | 130.5 | 0 | 0 | 114.7 | |||||
| 432 | S | 32.2 | Very low | 31.9 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | cis | -167.2 | 159.2 | 1.2 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 433 | R | 31.7 | Very low | 31.9 | Very low | 225 Ų | 225 | 141.8 Ų | 141.8 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | trans | 53.3 | 113.9 | 148.3 | -69.9 | 175.9 | -179.1 | 171.3 | 2 | 123.9 | ||||
| 434 | N | 31.6 | Very low | 32.1 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | 169.4 | 97.7 | 114.3 | -88 | -12.7 | 0 | 0 | 0 | 109.3 | |||||
| 435 | V | 31.1 | Very low | 32.3 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | 64.5 | 113.3 | 88.9 | -179.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 436 | G | 33.5 | Very low | 32.4 | Very low | 71 Ų | 71 | 155.4 Ų | 155.4 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 178.2 | 59.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 437 | I | 30.9 | Very low | 32.4 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | trans | 33.5 | 115.7 | 152.5 | -51.7 | 171.5 | 0 | 0 | 0 | 119.2 | ||||
| 438 | Y | 32.7 | Very low | 32.7 | Very low | 230 Ų | 230 | 158.5 Ų | 158.5 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | -159.6 | 131.9 | 125.8 | -114.3 | -75 | 0 | 0 | 0 | 110.3 | |||||
| 439 | D | 31.6 | Very low | 32.7 | Very low | 163 Ų | 163 | 153.6 Ų | 153.6 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -74.5 | 145.9 | -178.7 | -74.1 | -60.7 | 0 | 0 | 0 | 113.1 | ||||
| 440 | G | 35.3 | Very low | 33.1 | Very low | 76 Ų | 76 | 151.9 Ų | 151.9 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -156.5 | 112.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 441 | E | 34.8 | Very low | 33.2 | Very low | 197 Ų | 197 | 154.5 Ų | 154.5 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -66.7 | 159.2 | -165.1 | -69.7 | -178.6 | 119 | 0 | 0 | 116.1 | ||||
| 442 | S | 34.1 | Very low | 33.1 | Very low | 124 Ų | 124 | 156.6 Ų | 156.6 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -52.6 | 143.6 | 179.6 | 56.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 443 | G | 31.9 | Very low | 33.2 | Very low | 76 Ų | 76 | 155.2 Ų | 155.2 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -165.9 | 50.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R445 | G443-R445 PolarHBondContact O-N 3.5Š| ||
| 444 | Q | 33.8 | Very low | 33.3 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 76% | 0.757 | 83% | 0.831 | S | S | * | * | trans | -64.6 | 114.2 | 178.2 | -77.7 | -169.1 | -3.5 | 0 | 0 | 112.4 | ||||
| 445 | R | 33.6 | Very low | 33.2 | Very low | 248 Ų | 248 | 161 Ų | 161 | 94% | 0.936 | 84% | 0.836 | S | S | * | * | trans | -100 | 106.4 | 156.9 | -95.7 | -173.3 | 161 | -164.3 | -6.2 | 110.3 | G443 | G443-R445 PolarHBondContact O-N 3.5Š| ||
| 446 | R | 35.7 | Very low | 33.4 | Very low | 204 Ų | 204 | 159.2 Ų | 159.2 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | -79.7 | 135.6 | 171.9 | -66.1 | -176.9 | -177.8 | -173.3 | -0.4 | 110.4 | ||||
| 447 | N | 31.4 | Very low | 33.3 | Very low | 164 Ų | 164 | 163.5 Ų | 163.5 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | trans | -78.9 | 140.3 | 170.3 | -77.1 | -46.6 | 0 | 0 | 0 | 110.9 | ||||
| 448 | H | 36.2 | Very low | 33.2 | Very low | 185 Ų | 185 | 168.1 Ų | 168.1 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | -121.3 | 119.3 | 157 | -88.8 | -78.2 | 0 | 0 | 0 | 109.3 | ||||
| 449 | G | 33.2 | Very low | 33.4 | Very low | 71 Ų | 71 | 164 Ų | 164 | 73% | 0.732 | 84% | 0.844 | S | S | * | * | trans | -74.1 | 179.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 450 | S | 33.5 | Very low | 33.4 | Very low | 102 Ų | 102 | 164.3 Ų | 164.3 | 71% | 0.713 | 85% | 0.845 | S | S | * | * | cis | -165.6 | 152.9 | 13.6 | -177.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 451 | R | 37.6 | Very low | 33.1 | Very low | 238 Ų | 238 | 164.8 Ų | 164.8 | 90% | 0.898 | 85% | 0.85 | S | S | * | * | 177.8 | 164.6 | 86.7 | -86.9 | -177.3 | -179.5 | 174.4 | 1.1 | 111.2 | |||||
| 452 | F | 29.8 | Very low | 32.9 | Very low | 215 Ų | 215 | 159.1 Ų | 159.1 | 94% | 0.943 | 85% | 0.845 | S | S | * | * | trans | -65.1 | 154.7 | -177.9 | -70.8 | -108.4 | 0 | 0 | 0 | 115.4 | ||||
| 453 | G | 33.2 | Very low | 32.6 | Very low | 72 Ų | 72 | 165.1 Ų | 165.1 | 74% | 0.742 | 85% | 0.848 | S | S | * | * | trans | -171.9 | 62.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 454 | R | 33.8 | Very low | 32.6 | Very low | 255 Ų | 255 | 165.1 Ų | 165.1 | 96% | 0.962 | 85% | 0.849 | S | S | * | * | trans | 68 | 148.8 | 159.8 | -60.6 | -171.3 | -175.2 | -102.8 | 1.8 | 121.5 | ||||
| 455 | R | 30.5 | Very low | 32.4 | Very low | 240 Ų | 240 | 166.2 Ų | 166.2 | 91% | 0.906 | 85% | 0.853 | S | S | * | * | trans | -122.9 | 175.6 | 170.1 | -115.6 | -175.7 | 176.2 | -168.5 | -1.4 | 107.5 | ||||
| 456 | S | 33.5 | Very low | 32.7 | Very low | 106 Ų | 106 | 159.8 Ų | 159.8 | 74% | 0.741 | 84% | 0.844 | S | S | * | * | trans | 81.8 | 145.6 | 171.6 | 86.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 457 | N | 33.1 | Very low | 32.8 | Very low | 160 Ų | 160 | 156.3 Ų | 156.3 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | cis | -155.7 | 175.8 | -7.2 | -115.5 | 7.3 | 0 | 0 | 0 | 111.4 | ||||
| 458 | W | 28.1 | Very low | 32.9 | Very low | 242 Ų | 242 | 157.4 Ų | 157.4 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -62 | 148.7 | 171.6 | -65.8 | -5.9 | 0 | 0 | 0 | 113.8 | ||||
| 459 | T | 35.8 | Very low | 32.9 | Very low | 145 Ų | 145 | 160.7 Ų | 160.7 | 89% | 0.89 | 85% | 0.847 | S | S | * | * | -179.3 | 170.3 | 115.3 | 28 | 0 | 0 | 0 | 0 | 112 | |||||
| 460 | N | 31.5 | Very low | 33.1 | Very low | 169 Ų | 169 | 165 Ų | 165 | 90% | 0.904 | 85% | 0.845 | S | S | * | * | trans | -74.3 | 154.4 | -168.1 | -68.8 | -40.7 | 0 | 0 | 0 | 116.1 | ||||
| 461 | G | 29.8 | Very low | 32.9 | Very low | 85 Ų | 85 | 165.6 Ų | 165.6 | 88% | 0.876 | 84% | 0.841 | S | S | * | * | trans | 114.7 | 135.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 462 | G | 30.1 | Very low | 32.9 | Very low | 79 Ų | 79 | 163.9 Ų | 163.9 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | trans | 128.4 | 88.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 463 | R | 28.1 | Very low | 33.2 | Very low | 249 Ų | 249 | 161 Ų | 161 | 94% | 0.94 | 83% | 0.834 | S | S | * | * | trans | -0.1 | 126 | 155.6 | -57.7 | 175.2 | -171.4 | -110 | 2.2 | 118.5 | ||||
| 464 | G | 32.9 | Very low | 33.1 | Very low | 77 Ų | 77 | 166.9 Ų | 166.9 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | -149.6 | 96.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 465 | H | 29.5 | Very low | 33.2 | Very low | 185 Ų | 185 | 163 Ų | 163 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | trans | -74.6 | 151.2 | 169.2 | -81.1 | -72 | 0 | 0 | 0 | 110.7 | ||||
| 466 | P | 39.6 | Very low | 33.4 | Very low | 113 Ų | 113 | 156.8 Ų | 156.8 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | trans | -121.1 | 117.8 | 142.9 | 31.5 | -21.4 | 0 | 0 | 0 | 113 | ||||
| 467 | V | 37.3 | Very low | 33.4 | Very low | 130 Ų | 130 | 157 Ų | 157 | 79% | 0.788 | 84% | 0.835 | S | S | * | * | trans | 59.1 | 110.1 | 135.8 | -172 | 0 | 0 | 0 | 0 | 119 | ||||
| 468 | K | 33 | Very low | 33.2 | Very low | 188 Ų | 188 | 156.8 Ų | 156.8 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | trans | -60.3 | 139.9 | 161.4 | -62 | 174 | 177.3 | 176.3 | 0 | 111.4 | ||||
| 469 | R | 37.3 | Very low | 33.5 | Very low | 253 Ų | 253 | 156 Ų | 156 | 96% | 0.955 | 83% | 0.83 | S | S | * | * | trans | -120 | 89.4 | 149.3 | -94.7 | -176.2 | 164 | 160.1 | -3.9 | 110.1 | ||||
| 470 | K | 36 | Very low | 33.4 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 70% | 0.704 | 82% | 0.82 | S | S | * | * | trans | -69.8 | 157.7 | 145.1 | -85 | -171.2 | 140.4 | -109.8 | 0 | 107.9 | ||||
| 471 | D | 31.3 | Very low | 33.3 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 62% | 0.615 | 82% | 0.815 | S | S | * | * | cis | -155.5 | 154.9 | -11.8 | -88.3 | -39 | 0 | 0 | 0 | 105.7 | ||||
| 472 | K | 37 | Very low | 33.4 | Very low | 201 Ų | 201 | 159.1 Ų | 159.1 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -168.4 | 141.4 | 135.7 | -109.7 | 169 | -175.2 | -176 | 0 | 111.7 | ||
| 473 | N | 34.8 | Very low | 33.4 | Very low | 156 Ų | 156 | 161.2 Ų | 161.2 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | 70.9 | 68.9 | 174.7 | -58.6 | 11.2 | 0 | 0 | 0 | 116.4 | ||||
| 474 | Q | 32.4 | Very low | 33.7 | Very low | 195 Ų | 195 | 155 Ų | 155 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -89.6 | 137.8 | 131.4 | -72.5 | -175.2 | 3.2 | 0 | 0 | 108.4 | ||||
| 475 | L | 36.2 | Very low | 33.5 | Very low | 174 Ų | 174 | 158.4 Ų | 158.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -118.7 | 117.6 | 156.5 | -102.7 | 160.7 | 0 | 0 | 0 | 107.1 | ||||
| 476 | S | 33.5 | Very low | 33.7 | Very low | 109 Ų | 109 | 159.1 Ų | 159.1 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -69.3 | 170.9 | 165.8 | 40 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 477 | S | 34.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 159.2 Ų | 159.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | cis | -154.3 | 168.7 | 21.3 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 478 | N | 29.2 | Very low | 32.9 | Very low | 154 Ų | 154 | 161.5 Ų | 161.5 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -65.1 | 155.1 | 168.3 | -63.4 | -35.7 | 0 | 0 | 0 | 114.1 | ||||
| 479 | R | 34 | Very low | 32.9 | Very low | 225 Ų | 225 | 161 Ų | 161 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | trans | 155.7 | 147 | 149 | -91 | -175.6 | 154 | 145.3 | 0.5 | 108.5 | ||||
| 480 | D | 33.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 155.1 Ų | 155.1 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | cis | -153 | 177.9 | -0.4 | -106 | -37 | 0 | 0 | 0 | 110.3 | ||||
| 481 | L | 29.8 | Very low | 32.2 | Very low | 150 Ų | 150 | 155 Ų | 155 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -80 | 155.2 | -177.1 | -56.2 | 87.3 | 0 | 0 | 0 | 114.9 | ||||
| 482 | K | 32.3 | Very low | 32 | Very low | 188 Ų | 188 | 155.4 Ų | 155.4 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 164.9 | 113.1 | 132.3 | -91.7 | 176.2 | 175.6 | -176.4 | 0 | 110.3 | ||||
| 483 | T | 29.6 | Very low | 31.6 | Very low | 122 Ų | 122 | 153 Ų | 153 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 56.5 | 111 | 85.3 | 64.9 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 484 | S | 34.5 | Very low | 31.4 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | -175.1 | 140.6 | 123.1 | 45 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 485 | D | 27.4 | Very low | 31.1 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -67.9 | 161.6 | 168.5 | -57.9 | -82.4 | 0 | 0 | 0 | 112.4 | ||||
| 486 | E | 34 | Very low | 31 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | -162.1 | 165.3 | 122.6 | -117.3 | 177.7 | -170.4 | 0 | 0 | 113.2 | |||||
| 487 | T | 31.2 | Very low | 30.7 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -129.7 | 154.1 | -155.7 | -32.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 488 | K | 29.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | 74.8 | 127.4 | 166.7 | -52.3 | 175.1 | 179.6 | 174.9 | 0 | 116.9 | ||||
| 489 | H | 33.1 | Very low | 30.9 | Very low | 178 Ų | 178 | 151 Ų | 151 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | -165.6 | 168.5 | 91.3 | -107.8 | -83.5 | 0 | 0 | 0 | 112.7 | |||||
| 490 | N | 29.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | trans | -83.8 | 171.9 | -166.2 | -83.1 | 0.2 | 0 | 0 | 0 | 115.7 | ||||
| 491 | E | 28.2 | Very low | 30.5 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 87.6 | 112.4 | 138.1 | -90.1 | 150.3 | -131.8 | 0 | 0 | 121.5 | ||||
| 492 | V | 28.9 | Very low | 30.4 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | 53.8 | 111.6 | 125.2 | -178.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 493 | N | 28.8 | Very low | 30.5 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | -153.2 | 155.5 | 114.8 | -133.1 | -29.5 | 0 | 0 | 0 | 114.9 | |||||
| 494 | T | 29 | Very low | 30.7 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | -86.7 | 168.5 | 178 | 45 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 495 | N | 26 | Very low | 30.3 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | 74.5 | 91.1 | 159.7 | -57.1 | -23.4 | 0 | 0 | 0 | 119 | ||||
| 496 | S | 35.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -130.2 | 98.2 | 138.9 | 52.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 497 | N | 27.5 | Very low | 30.4 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 56.4 | 69.4 | 79 | -151.8 | 9.9 | 0 | 0 | 0 | 112.2 | |||||
| 498 | L | 33.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -105.7 | 108.1 | 163.6 | -86.1 | 170.9 | 0 | 0 | 0 | 108.8 | ||||
| 499 | Q | 34.2 | Very low | 30.5 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 152.2 | -179.6 | -70.3 | 164.7 | -76 | 0 | 0 | 112.1 | S501 | Q499-S501 PolarHBondContact O-N 3.32Š| ||
| 500 | N | 26.1 | Very low | 30.5 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -52.5 | 125.2 | 172.7 | -63 | -49.3 | 0 | 0 | 0 | 111.9 | ||||
| 501 | S | 31.9 | Very low | 30.6 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -119.8 | 106.9 | 152.6 | -174.5 | 0 | 0 | 0 | 0 | 108 | Q499 E503 | Q499-S501 PolarHBondContact O-N 3.32Å; S501-E503 PolarHBondContact O-N 3.01Å | ||
| 502 | L | 28.8 | Very low | 30.8 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -76.4 | 107.6 | 164.4 | -81.5 | 85.5 | 0 | 0 | 0 | 107.7 | ||||
| 503 | E | 34 | Very low | 31 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -89.2 | 145.4 | 158.3 | -99.2 | -163.1 | 134.5 | 0 | 0 | 110.5 | S501 | S501-E503 PolarHBondContact O-N 3.01Š| ||
| 504 | P | 33.5 | Very low | 31.1 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -76.2 | 161.1 | -164.3 | 30.8 | -36.3 | 0 | 0 | 0 | 113.6 | V506 | P504-V506 PolarHBondContact O-N 2.82Š| ||
| 505 | A | 26.8 | Very low | 31.3 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 109.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E507 | A505-E507 PolarHBondContact O-N 2.72Å; A505-E507 VanDerWaalsContact O-N 3.13Å | ||
| 506 | V | 34.3 | Very low | 31.4 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 106.3 | 170.9 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | P504 | P504-V506 PolarHBondContact O-N 2.82Š| ||
| 507 | E | 29.6 | Very low | 31.2 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -52.6 | 144.7 | 171.6 | -76.5 | -174.5 | 115.6 | 0 | 0 | 111.5 | A505 T509 | A505-E507 PolarHBondContact O-N 2.72Å; A505-E507 VanDerWaalsContact O-N 3.13Å; E507-T509 VanDerWaalsContact C-N 3.27Å; E507-T509 PolarHBondContact O-N 3.13Å; E507-T509 PolarHBondContact O-OG1 2.74Å | ||
| 508 | S | 31.3 | Very low | 31.5 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 82.7 | 178 | -163 | 0 | 0 | 0 | 0 | 110.2 | R510 | S508-R510 PolarHBondContact O-N 2.93Š| ||
| 509 | T | 31.2 | Very low | 31.6 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | -66.3 | 95.4 | 177 | -19.5 | 0 | 0 | 0 | 0 | 109.2 | E507 I511 | E507-T509 VanDerWaalsContact C-N 3.27Å; E507-T509 PolarHBondContact O-N 3.13Å; E507-T509 PolarHBondContact O-OG1 2.74Å; T509-I511 PolarHBondContact O-N 3.06Å | ||
| 510 | R | 31.7 | Very low | 31.5 | Very low | 227 Ų | 227 | 133.3 Ų | 133.3 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -57.1 | 113.2 | 163.8 | -91 | -178.1 | 166.7 | 174.2 | -3.7 | 107.7 | S508 T512 | S508-R510 PolarHBondContact O-N 2.93Å; R510-T512 VanDerWaalsContact C-N 3.33Å; R510-T512 PolarHBondContact O-N 2.94Å | ||
| 511 | I | 32.6 | Very low | 31.8 | Very low | 155 Ų | 155 | 132 Ų | 132 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | trans | -68.3 | 96.7 | 170.4 | -58.6 | 173.8 | 0 | 0 | 0 | 107 | T509 | T509-I511 PolarHBondContact O-N 3.06Š| ||
| 512 | T | 32 | Very low | 31.8 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -60.9 | 134.6 | 166.1 | 42.6 | 0 | 0 | 0 | 0 | 109 | R510 A514 | R510-T512 VanDerWaalsContact C-N 3.33Å; R510-T512 PolarHBondContact O-N 2.94Å; T512-A514 PolarHBondContact O-N 3.18Å | ||
| 513 | P | 33.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 60% | 0.597 | 81% | 0.809 | S | S | * | * | trans | -63.9 | 126.2 | 170.9 | 27.7 | -32.4 | 0 | 0 | 0 | 108.4 | A515 | P513-A515 PolarHBondContact O-N 3.44Š| ||
| 514 | A | 31.1 | Very low | 31.8 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -63.1 | 106.2 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | T512 | T512-A514 PolarHBondContact O-N 3.18Š| ||
| 515 | A | 32.8 | Very low | 31.7 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 62% | 0.62 | 81% | 0.814 | S | S | * | * | trans | -88.6 | 150.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109 | P513 | P513-A515 PolarHBondContact O-N 3.44Š| ||
| 516 | E | 28.3 | Very low | 32 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | 60.7 | 106.4 | 166 | -59.9 | -172.6 | 140.8 | 0 | 0 | 118.2 | ||||
| 517 | A | 30.8 | Very low | 31.9 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -124.2 | 87.1 | 132.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 518 | S | 33 | Very low | 32.1 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 59% | 0.587 | 81% | 0.814 | S | S | * | * | trans | -97.4 | 126.4 | 157.8 | -77.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 519 | A | 36.4 | Very low | 32.1 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 100% | 1.463 | 81% | 0.81 | S | S | * | * | trans | -141.9 | 0 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 519 of 519 residues in 289.9 ms
(Link to these results)