| 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 | 75.4 | Confident | 77.3 | Confident | 149 Ų | 149 | 92.7 Ų | 92.7 | 73% | 0.734 | 46% | 0.455 | S | S | * | . | 0 | 140.4 | 0 | -175.7 | -179 | -178.8 | 0 | 0 | 109.4 | L25 M128 | M1-L25 HydrophobicContact CB-CB 4.41Å; M1-L25 PolarHBondContact N-O 2.83Å; M1-L25 WeakPolarHBondContact O-CA 3.4Å; M1-L25 PolarHBondContact O-N 2.6Å; M1-M128 HydrophobicContact CB-SD 4.21Å | |||
| 2 | A | 75.4 | Confident | 77 | Confident | 61 Ų | 61 | 106.8 Ų | 106.8 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y24 | A2-Y24 HydrophobicContact CB-CD1 4.29Å; A2-Y24 HydrophobicContact CB-CE1 4.25Å |
| 3 | V | 80.1 | Confident | 77 | Confident | 24 Ų | 24 | 105.3 Ų | 105.3 | 15% | 0.145 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131 | 176.3 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | H23 L25 Y131 | V3-H23 PolarHBondContact N-O 3.23Å; V3-H23 WeakPolarHBondContact O-CB 3.31Å; V3-H23 PolarHBondContact O-N 3.41Å; V3-L25 HydrophobicContact CG2-CD1 3.5Å; V3-L25 HydrophobicContact CG2-CG 4.01Å; V3-Y131 HydrophobicContact CB-CE1 4.39Å; V3-Y131 HydrophobicContact CG1-CE1 4.1Å; V3-Y131 HydrophobicContact CG2-CE1 4.27Å |
| 4 | L | 78.3 | Confident | 76.7 | Confident | 96 Ų | 96 | 107.8 Ų | 107.8 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.4 | 175 | -75.5 | 160 | 0 | 0 | 0 | 110.6 | V20 E22 | L4-V20 HydrophobicContact CD2-CG1 3.53Å; L4-E22 HydrophobicContact CD2-CG 4.02Å |
| 5 | K | 75.6 | Confident | 76.7 | Confident | 84 Ų | 84 | 103.9 Ų | 103.9 | 37% | 0.365 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.5 | 172 | -166 | 171.3 | -174.4 | 168.1 | 0 | 108.7 | F7 R21 | K5-F7 HydrophobicContact CG-CD1 4.49Å; K5-R21 PolarHBondContact N-O 2.68Å; K5-R21 PolarHBondContact O-N 3.46Å |
| 6 | E | 76.8 | Confident | 77.2 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.3 | 177.6 | -53.4 | -166.1 | 149 | 0 | 0 | 110 | K18 V19 V20 | E6-K18 IonicContact OE1-NZ 3.18Å; E6-K18 PolarHBondContact OE1-NZ 2.69Å; E6-K18 WeakPolarHBondContact OE2-CE 3.28Å; E6-K18 IonicContact OE2-NZ 3.87Å; E6-K18 PolarHBondContact OE2-NZ 2.91Å; E6-V19 WeakPolarHBondContact CA-O 3.16Å; E6-V20 HydrophobicContact CG-CG1 4.38Å; E6-V20 HydrophobicContact CG-CG2 4.23Å |
| 7 | F | 78.5 | Confident | 77.7 | Confident | 69 Ų | 69 | 101.1 Ų | 101.1 | 30% | 0.303 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 154.3 | 172 | 61.3 | -85 | 0 | 0 | 0 | 111.1 | K5 R9 V19 | K5-F7 HydrophobicContact CG-CD1 4.49Å; F7-R9 HydrophobicContact CE2-CB 4.5Å; F7-V19 HydrophobicContact CD1-CB 4.43Å; F7-V19 HydrophobicContact CD2-CB 4.26Å; F7-V19 HydrophobicContact CE1-CB 4.04Å; F7-V19 HydrophobicContact CE1-CG1 3.8Å; F7-V19 HydrophobicContact CE2-CB 3.85Å; F7-V19 HydrophobicContact CE2-CG1 4.17Å; F7-V19 HydrophobicContact CE2-CG2 4.11Å; F7-V19 HydrophobicContact CZ-CB 3.74Å; F7-V19 HydrophobicContact CZ-CG1 3.56Å; F7-V19 HydrophobicContact CZ-CG2 4.33Å; F7-V19 PolarHBondContact N-O 3.38Å; F7-V19 PolarHBondContact O-N 3.33Å |
| 8 | Y | 79.7 | Confident | 78.3 | Confident | 159 Ų | 159 | 100.7 Ų | 100.7 | 62% | 0.624 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.3 | 176 | -63.3 | -88.9 | 0 | 0 | 0 | 109 | V16 V17 K18 | Y8-V16 HydrophobicContact CD1-CG1 3.98Å; Y8-V16 HydrophobicContact CG-CG1 4.45Å; Y8-V17 WeakPolarHBondContact CA-O 3.32Å; Y8-K18 HydrophobicContact CD1-CB 3.98Å; Y8-K18 HydrophobicContact CD1-CG 4.34Å; Y8-K18 HydrophobicContact CE1-CB 3.68Å; Y8-K18 HydrophobicContact CE1-CD 4.24Å; Y8-K18 HydrophobicContact CE1-CG 3.85Å |
| 9 | R | 77 | Confident | 78.4 | Confident | 139 Ų | 139 | 96.7 Ų | 96.7 | 53% | 0.525 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.3 | 171.9 | 77.5 | 176 | -175.4 | 169.4 | 0.7 | 110.6 | F7 V17 V19 | F7-R9 HydrophobicContact CE2-CB 4.5Å; R9-V17 HydrophobicContact CG-CB 4.48Å; R9-V17 PolarHBondContact N-O 2.83Å; R9-V17 PolarHBondContact O-N 2.95Å; R9-V19 HydrophobicContact CG-CG2 3.96Å |
| 10 | V | 75.8 | Confident | 78.7 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.1 | 169.1 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | A15 V16 | V10-A15 WeakPolarHBondContact CA-O 3.36Å; V10-V16 HydrophobicContact CG2-CG2 4.42Å |
| 11 | T | 77.3 | Confident | 78.8 | Confident | 38 Ų | 38 | 98.2 Ų | 98.2 | 23% | 0.233 | 50% | 0.496 | C | S | . | . | trans | -77.7 | 167.4 | 175.4 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | A13 N14 A15 V17 | T11-A13 PolarHBondContact O-N 3.45Å; T11-A13 VanDerWaalsContact O-N 3.08Å; T11-A13 PolarHBondContact OG1-N 2.77Å; T11-N14 PolarHBondContact O-N 2.86Å; T11-A15 PolarHBondContact N-O 2.72Å; T11-A15 PolarHBondContact OG1-N 3.1Å; T11-A15 PolarHBondContact OG1-O 2.6Å; T11-V17 HydrophobicContact CG2-CB 4.4Å; T11-V17 HydrophobicContact CG2-CG2 3.54Å | ||
| 12 | R | 74.6 | Confident | 79.1 | Confident | 262 Ų | 262 | 96.8 Ų | 96.8 | 99% | 0.989 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.5 | 172.8 | -71.4 | -175.9 | 179 | 174.6 | -0.7 | 113.3 | N14 | R12-N14 VanDerWaalsContact C-N 3.29Š|
| 13 | A | 76.7 | Confident | 79.5 | Confident | 87 Ų | 87 | 95.3 Ų | 95.3 | 72% | 0.719 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 16.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T11 A15 | T11-A13 PolarHBondContact O-N 3.45Å; T11-A13 VanDerWaalsContact O-N 3.08Å; T11-A13 PolarHBondContact OG1-N 2.77Å; A13-A15 PolarHBondContact O-N 3.26Å; A13-A15 VanDerWaalsContact O-N 3.07Å |
| 14 | N | 73.1 | Confident | 79.8 | Confident | 140 Ų | 140 | 100.9 Ų | 100.9 | 75% | 0.749 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 58.3 | 15.5 | -176.7 | -70.8 | -21.3 | 0 | 0 | 0 | 115.7 | T11 R12 | T11-N14 PolarHBondContact O-N 2.86Å; R12-N14 VanDerWaalsContact C-N 3.29Å |
| 15 | A | 76.7 | Confident | 80.4 | Confident | 49 Ų | 49 | 96.9 Ų | 96.9 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | trans | -82.2 | 134.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V10 T11 A13 | V10-A15 WeakPolarHBondContact CA-O 3.36Å; T11-A15 PolarHBondContact N-O 2.72Å; T11-A15 PolarHBondContact OG1-N 3.1Å; T11-A15 PolarHBondContact OG1-O 2.6Å; A13-A15 PolarHBondContact O-N 3.26Å; A13-A15 VanDerWaalsContact O-N 3.07Å | ||
| 16 | V | 83.8 | Confident | 81 | Confident | 102 Ų | 102 | 98.8 Ų | 98.8 | 62% | 0.618 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.8 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | Y8 V10 | Y8-V16 HydrophobicContact CD1-CG1 3.98Å; Y8-V16 HydrophobicContact CG-CG1 4.45Å; V10-V16 HydrophobicContact CG2-CG2 4.42Å |
| 17 | V | 87 | Confident | 81.4 | Confident | 59 Ų | 59 | 99.2 Ų | 99.2 | 36% | 0.358 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.6 | 179 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | Y8 R9 T11 V19 | Y8-V17 WeakPolarHBondContact CA-O 3.32Å; R9-V17 HydrophobicContact CG-CB 4.48Å; R9-V17 PolarHBondContact N-O 2.83Å; R9-V17 PolarHBondContact O-N 2.95Å; T11-V17 HydrophobicContact CG2-CB 4.4Å; T11-V17 HydrophobicContact CG2-CG2 3.54Å; V17-V19 HydrophobicContact CG1-CG2 4.4Å; V17-V19 PolarHBondContact O-N 3.03Å |
| 18 | K | 88.4 | Confident | 81.8 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 41% | 0.409 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 115 | 167.1 | -171.1 | -177.8 | -179.8 | -173.5 | 0 | 108.3 | E6 Y8 V20 | E6-K18 IonicContact OE1-NZ 3.18Å; E6-K18 PolarHBondContact OE1-NZ 2.69Å; E6-K18 WeakPolarHBondContact OE2-CE 3.28Å; E6-K18 IonicContact OE2-NZ 3.87Å; E6-K18 PolarHBondContact OE2-NZ 2.91Å; Y8-K18 HydrophobicContact CD1-CB 3.98Å; Y8-K18 HydrophobicContact CD1-CG 4.34Å; Y8-K18 HydrophobicContact CE1-CB 3.68Å; Y8-K18 HydrophobicContact CE1-CD 4.24Å; Y8-K18 HydrophobicContact CE1-CG 3.85Å; K18-V20 HydrophobicContact CD-CG2 4.32Å; K18-V20 HydrophobicContact CG-CG2 4.29Å |
| 19 | V | 80.4 | Confident | 82.2 | Confident | 25 Ų | 25 | 92.7 Ų | 92.7 | 15% | 0.152 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | E6 F7 R9 V17 R21 | E6-V19 WeakPolarHBondContact CA-O 3.16Å; F7-V19 HydrophobicContact CD1-CB 4.43Å; F7-V19 HydrophobicContact CD2-CB 4.26Å; F7-V19 HydrophobicContact CE1-CB 4.04Å; F7-V19 HydrophobicContact CE1-CG1 3.8Å; F7-V19 HydrophobicContact CE2-CB 3.85Å; F7-V19 HydrophobicContact CE2-CG1 4.17Å; F7-V19 HydrophobicContact CE2-CG2 4.11Å; F7-V19 HydrophobicContact CZ-CB 3.74Å; F7-V19 HydrophobicContact CZ-CG1 3.56Å; F7-V19 HydrophobicContact CZ-CG2 4.33Å; F7-V19 PolarHBondContact N-O 3.38Å; F7-V19 PolarHBondContact O-N 3.33Å; R9-V19 HydrophobicContact CG-CG2 3.96Å; V17-V19 HydrophobicContact CG1-CG2 4.4Å; V17-V19 PolarHBondContact O-N 3.03Å; V19-R21 HydrophobicContact CG1-CG 3.98Å |
| 20 | V | 82.8 | Confident | 82.8 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.1 | 172.1 | -177 | 0 | 0 | 0 | 0 | 107 | L4 E6 K18 | L4-V20 HydrophobicContact CD2-CG1 3.53Å; E6-V20 HydrophobicContact CG-CG1 4.38Å; E6-V20 HydrophobicContact CG-CG2 4.23Å; K18-V20 HydrophobicContact CD-CG2 4.32Å; K18-V20 HydrophobicContact CG-CG2 4.29Å |
| 21 | R | 80.5 | Confident | 83.4 | Confident | 150 Ų | 150 | 83.1 Ų | 83.1 | 57% | 0.566 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.8 | 174.9 | -72.3 | -177.6 | -178.9 | -178.8 | -3 | 109.7 | K5 V19 | K5-R21 PolarHBondContact N-O 2.68Å; K5-R21 PolarHBondContact O-N 3.46Å; V19-R21 HydrophobicContact CG1-CG 3.98Å |
| 22 | E | 83.4 | Confident | 84 | Confident | 119 Ų | 119 | 81.5 Ų | 81.5 | 56% | 0.556 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122 | 165.5 | -66 | -179.2 | 167.1 | 0 | 0 | 108.7 | L4 Y24 | L4-E22 HydrophobicContact CD2-CG 4.02Å; E22-Y24 HydrophobicContact CB-CD2 4.38Å; E22-Y24 HydrophobicContact CB-CE2 3.66Å; E22-Y24 PolarHBondContact OE2-OH 3.47Å |
| 23 | H | 82.5 | Confident | 84.8 | Confident | 30 Ų | 30 | 69 Ų | 69 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 112.3 | 178.3 | -165.7 | 84.3 | 0 | 0 | 0 | 108.5 | V3 E125 F126 Y131 | V3-H23 PolarHBondContact N-O 3.23Å; V3-H23 WeakPolarHBondContact O-CB 3.31Å; V3-H23 PolarHBondContact O-N 3.41Å; H23-E125 PolarHBondContact NE2-O 2.93Å; H23-F126 AromaticContact CE1-CD1 3.7Å; H23-F126 AromaticContact CE1-CE1 3.34Å; H23-F126 WeakPolarHBondContact CE1-CE1 3.35Å; H23-F126 AromaticContact NE2-CD1 3.62Å; H23-F126 AromaticContact NE2-CE1 3.77Å; H23-Y131 AromaticContact CD2-CE2 3.92Å |
| 24 | Y | 87 | Confident | 85.3 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 55% | 0.549 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 112.8 | -173.8 | -68.9 | -96.8 | 0 | 0 | 0 | 109.9 | A2 E22 | A2-Y24 HydrophobicContact CB-CD1 4.29Å; A2-Y24 HydrophobicContact CB-CE1 4.25Å; E22-Y24 HydrophobicContact CB-CD2 4.38Å; E22-Y24 HydrophobicContact CB-CE2 3.66Å; E22-Y24 PolarHBondContact OE2-OH 3.47Å |
| 25 | L | 90 | Very high | 85.9 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | trans | -89.4 | 138.6 | 173.8 | -57.8 | -178.8 | 0 | 0 | 0 | 110.6 | M1 V3 E125 F126 M128 Y131 | M1-L25 HydrophobicContact CB-CB 4.41Å; M1-L25 PolarHBondContact N-O 2.83Å; M1-L25 WeakPolarHBondContact O-CA 3.4Å; M1-L25 PolarHBondContact O-N 2.6Å; V3-L25 HydrophobicContact CG2-CD1 3.5Å; V3-L25 HydrophobicContact CG2-CG 4.01Å; L25-E125 WeakPolarHBondContact CD2-O 3.41Å; L25-F126 WeakPolarHBondContact CA-O 3.4Å; L25-M128 HydrophobicContact CB-CB 4.15Å; L25-Y131 HydrophobicContact CD1-CD1 3.69Å; L25-Y131 HydrophobicContact CD1-CE1 4.39Å; L25-Y131 HydrophobicContact CD1-CG 3.91Å; L25-Y131 HydrophobicContact CD2-CD1 4.11Å; L25-Y131 HydrophobicContact CD2-CD2 3.75Å; L25-Y131 HydrophobicContact CD2-CE2 4.4Å; L25-Y131 HydrophobicContact CD2-CG 3.56Å; L25-Y131 HydrophobicContact CG-CD1 4.49Å; L25-Y131 HydrophobicContact CG-CG 4.37Å | ||
| 26 | R | 89.1 | Confident | 86.5 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -121.6 | 145.6 | -174.2 | -73.1 | 179 | 67.4 | 171.6 | 5.8 | 110 | D28 I29 F126 N127 M128 | R26-D28 WeakPolarHBondContact CB-OD1 3.42Å; R26-D28 IonicContact CZ-OD1 3.8Å; R26-D28 IonicContact CZ-OD2 2.91Å; R26-D28 IonicContact NE-OD1 2.7Å; R26-D28 PolarHBondContact NE-OD1 2.77Å; R26-D28 IonicContact NE-OD2 2.73Å; R26-D28 VanDerWaalsContact NH2-CG 3.29Å; R26-D28 IonicContact NH2-OD1 3.95Å; R26-D28 PolarHBondContact NH2-OD1 3.45Å; R26-D28 VanDerWaalsContact NH2-OD1 3.16Å; R26-D28 IonicContact NH2-OD2 2.79Å; R26-D28 PolarHBondContact NH2-OD2 2.81Å; R26-I29 HydrophobicContact CB-CD1 3.83Å; R26-I29 HydrophobicContact CB-CG1 3.8Å; R26-I29 HydrophobicContact CG-CD1 4.47Å; R26-F126 PolarHBondContact N-O 3.29Å; R26-N127 CarbonylContact O-C 3.5Å; R26-N127 WeakPolarHBondContact O-CA 3.38Å; R26-M128 WeakPolarHBondContact O-CB 3.48Å; R26-M128 PolarHBondContact O-N 3.28Å |
| 27 | D | 86.2 | Confident | 86.8 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -99.6 | -8.6 | 174.8 | 53.4 | -6.5 | 0 | 0 | 0 | 112.7 | M128 | D27-M128 HydrophobicContact CB-CE 3.96Š|
| 28 | D | 85.6 | Confident | 86.8 | Confident | 71 Ų | 71 | 71.4 Ų | 71.4 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | trans | -100.8 | 20 | -179.1 | 68.9 | -22.7 | 0 | 0 | 0 | 113.7 | R26 C30 | R26-D28 WeakPolarHBondContact CB-OD1 3.42Å; R26-D28 IonicContact CZ-OD1 3.8Å; R26-D28 IonicContact CZ-OD2 2.91Å; R26-D28 IonicContact NE-OD1 2.7Å; R26-D28 PolarHBondContact NE-OD1 2.77Å; R26-D28 IonicContact NE-OD2 2.73Å; R26-D28 VanDerWaalsContact NH2-CG 3.29Å; R26-D28 IonicContact NH2-OD1 3.95Å; R26-D28 PolarHBondContact NH2-OD1 3.45Å; R26-D28 VanDerWaalsContact NH2-OD1 3.16Å; R26-D28 IonicContact NH2-OD2 2.79Å; R26-D28 PolarHBondContact NH2-OD2 2.81Å; D28-C30 PolarHBondContact O-N 3.02Å | ||
| 29 | I | 88.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 67.8 Ų | 67.8 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | trans | -73.9 | 113.6 | 176.6 | -59.7 | -59.7 | 0 | 0 | 0 | 109.8 | R26 F122 F126 N127 | R26-I29 HydrophobicContact CB-CD1 3.83Å; R26-I29 HydrophobicContact CB-CG1 3.8Å; R26-I29 HydrophobicContact CG-CD1 4.47Å; I29-F122 HydrophobicContact CG2-CE2 4.31Å; I29-F126 HydrophobicContact CD1-CB 4.14Å; I29-F126 HydrophobicContact CG1-CB 4.39Å; I29-N127 HydrophobicContact CB-CB 3.91Å; I29-N127 HydrophobicContact CG1-CB 4.01Å; I29-N127 HydrophobicContact CG2-CB 4.14Å | ||
| 30 | C | 89.1 | Confident | 86.4 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | trans | -54.5 | 136.1 | 176.3 | 168.7 | 0 | 0 | 0 | 0 | 112.9 | D28 G32 C43 | D28-C30 PolarHBondContact O-N 3.02Å; C30-G32 VanDerWaalsContact C-N 3.3Å; C30-G32 PolarHBondContact SG-N 2.78Å; C30-C43 VanDerWaalsContact CA-SG 3.54Å; C30-C43 WeakPolarHBondContact CB-SG 3.4Å; C30-C43 WeakPolarHBondContact SG-CA 3.44Å; C30-C43 WeakPolarHBondContact SG-CB 3.41Å; C30-C43 CovalentContact SG-SG 2.02Å; C30-C43 PolarHBondContact SG-SG 3.49Å | ||
| 31 | C | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -79.1 | -9.7 | 176.2 | 69 | 0 | 0 | 0 | 0 | 113.9 | L33 C39 W154 Y155 | C31-L33 HydrophobicContact CB-CG 4.49Å; C31-L33 PolarHBondContact O-N 2.96Å; C31-L33 PolarHBondContact SG-N 2.85Å; C31-L33 VanDerWaalsContact SG-N 3.4Å; C31-C39 PolarHBondContact N-SG 2.99Å; C31-C39 VanDerWaalsContact N-SG 3.43Å; C31-C39 VanDerWaalsContact SG-SG 3.6Å; C31-W154 HydrophobicContact CB-CH2 3.77Å; C31-W154 HydrophobicContact CB-CZ3 4.05Å; C31-Y155 HydrophobicContact CB-CE1 4.38Å; C31-Y155 PolarHBondContact O-OH 3.04Å | ||
| 32 | G | 89.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 78.9 | -2.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | C30 S45 I46 | C30-G32 VanDerWaalsContact C-N 3.3Å; C30-G32 PolarHBondContact SG-N 2.78Å; G32-S45 WeakPolarHBondContact O-CB 3.49Å; G32-S45 PolarHBondContact O-N 3.36Å; G32-S45 VanDerWaalsContact O-N 3.09Å; G32-I46 PolarHBondContact O-N 3.02Å |
| 33 | L | 90.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -89.4 | 131 | 179 | -51.1 | 179.3 | 0 | 0 | 0 | 111.5 | C31 C43 I46 P48 L64 Y155 L159 F164 | C31-L33 HydrophobicContact CB-CG 4.49Å; C31-L33 PolarHBondContact O-N 2.96Å; C31-L33 PolarHBondContact SG-N 2.85Å; C31-L33 VanDerWaalsContact SG-N 3.4Å; L33-C43 WeakPolarHBondContact O-CB 3.22Å; L33-I46 CarbonylContact C-O 3.36Å; L33-I46 WeakPolarHBondContact CA-O 3.42Å; L33-I46 HydrophobicContact CD2-CB 4.04Å; L33-I46 HydrophobicContact CD2-CG2 4.29Å; L33-P48 HydrophobicContact CB-CG 4.33Å; L33-L64 HydrophobicContact CD1-CD1 4.25Å; L33-L64 HydrophobicContact CD2-CD1 3.68Å; L33-Y155 HydrophobicContact CD1-CD1 4.45Å; L33-Y155 HydrophobicContact CD1-CE1 4.13Å; L33-Y155 HydrophobicContact CG-CE1 4.34Å; L33-L159 HydrophobicContact CD1-CD2 3.49Å; L33-L159 VanDerWaalsContact CD1-CD2 3.49Å; L33-F164 HydrophobicContact CB-CE2 4.31Å; L33-F164 HydrophobicContact CD1-CD2 4.24Å; L33-F164 HydrophobicContact CD1-CE2 4.06Å |
| 34 | R | 88.4 | Confident | 84.3 | Confident | 147 Ų | 147 | 69.1 Ų | 69.1 | 56% | 0.555 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 137.7 | 176.6 | -164.6 | -176 | -175.2 | -177.1 | 3.7 | 111.2 | C36 C43 I46 D47 P48 | R34-C36 VanDerWaalsContact C-N 3.31Å; R34-C36 PolarHBondContact O-N 3.48Å; R34-C43 VanDerWaalsContact CA-O 3.28Å; R34-C43 WeakPolarHBondContact CA-O 3.48Å; R34-I46 PolarHBondContact N-O 3.04Å; R34-D47 HydrophobicContact CB-CB 4.35Å; R34-D47 WeakPolarHBondContact CD-OD2 3.21Å; R34-D47 IonicContact NH1-OD2 3.25Å; R34-D47 PolarHBondContact NH1-OD2 3.41Å; R34-P48 WeakPolarHBondContact O-CD 3.31Å |
| 35 | G | 86.2 | Confident | 83.9 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 63% | 0.629 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 15.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K37 | G35-K37 PolarHBondContact O-N 3.04Š|
| 36 | C | 89.2 | Confident | 83.8 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 9% | 0.088 | 35% | 0.352 | C | S | . | . | trans | -66.3 | 123.5 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | R34 F38 C39 H158 N162 F164 | R34-C36 VanDerWaalsContact C-N 3.31Å; R34-C36 PolarHBondContact O-N 3.48Å; C36-F38 VanDerWaalsContact C-N 3.28Å; C36-F38 PolarHBondContact O-N 2.82Å; C36-C39 HydrophobicContact CB-CB 4.05Å; C36-C39 PolarHBondContact SG-N 2.84Å; C36-H158 PolarHBondContact SG-NE2 3.19Å; C36-N162 PolarHBondContact SG-OD1 2.86Å; C36-F164 HydrophobicContact CB-CE2 4.35Å; C36-F164 HydrophobicContact CB-CZ 4.21Å | ||
| 37 | K | 88.4 | Confident | 83.8 | Confident | 138 Ų | 138 | 60.5 Ų | 60.5 | 60% | 0.6 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -20.6 | -178 | -59.7 | 171 | -173.7 | 157.6 | 0 | 113.4 | G35 N162 D163 | G35-K37 PolarHBondContact O-N 3.04Å; K37-N162 PolarHBondContact N-OD1 3.34Å; K37-N162 PolarHBondContact NZ-O 3.16Å; K37-D163 IonicContact NZ-OD2 2.84Å; K37-D163 PolarHBondContact NZ-OD2 3.07Å |
| 38 | F | 86.8 | Confident | 83.8 | Confident | 128 Ų | 128 | 55 Ų | 55 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -3.6 | -175.2 | -55.3 | -80.9 | 0 | 0 | 0 | 114.3 | C36 A161 N162 | C36-F38 VanDerWaalsContact C-N 3.28Å; C36-F38 PolarHBondContact O-N 2.82Å; F38-A161 HydrophobicContact CE2-CB 3.81Å; F38-A161 WeakPolarHBondContact CE2-O 3.4Å; F38-A161 HydrophobicContact CZ-CB 4.07Å; F38-N162 WeakPolarHBondContact CD2-ND2 3.47Å; F38-N162 WeakPolarHBondContact CD2-OD1 3.45Å |
| 39 | C | 85.3 | Confident | 83.8 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 12% | 0.122 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -114.2 | 159.7 | -177.5 | -71.7 | 0 | 0 | 0 | 0 | 110.6 | C31 C36 C43 | C31-C39 PolarHBondContact N-SG 2.99Å; C31-C39 VanDerWaalsContact N-SG 3.43Å; C31-C39 VanDerWaalsContact SG-SG 3.6Å; C36-C39 HydrophobicContact CB-CB 4.05Å; C36-C39 PolarHBondContact SG-N 2.84Å; C39-C43 VanDerWaalsContact CB-SG 3.53Å |
| 40 | P | 75.2 | Confident | 83.8 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | trans | -60.6 | 150.9 | 171.4 | -19 | 31 | 0 | 0 | 0 | 112 | S42 C43 | P40-S42 PolarHBondContact O-N 3.48Å; P40-C43 PolarHBondContact O-N 3.17Å; P40-C43 PolarHBondContact O-SG 3.18Å | ||
| 41 | D | 70 | Confident | 83.6 | Confident | 168 Ų | 168 | 58.8 Ų | 58.8 | 90% | 0.898 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -7.8 | -177.2 | -69.2 | -30.6 | 0 | 0 | 0 | 115.3 | C43 | D41-C43 PolarHBondContact O-N 3Š|
| 42 | S | 69 | Low | 83.5 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -3.5 | 177.9 | 55.1 | 0 | 0 | 0 | 0 | 115.4 | P40 V44 | P40-S42 PolarHBondContact O-N 3.48Å; S42-V44 PolarHBondContact O-N 3.34Å |
| 43 | C | 70.5 | Confident | 83.3 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | trans | -81.2 | 100.7 | -177.4 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | C30 L33 R34 C39 P40 D41 | C30-C43 VanDerWaalsContact CA-SG 3.54Å; C30-C43 WeakPolarHBondContact CB-SG 3.4Å; C30-C43 WeakPolarHBondContact SG-CA 3.44Å; C30-C43 WeakPolarHBondContact SG-CB 3.41Å; C30-C43 CovalentContact SG-SG 2.02Å; C30-C43 PolarHBondContact SG-SG 3.49Å; L33-C43 WeakPolarHBondContact O-CB 3.22Å; R34-C43 VanDerWaalsContact CA-O 3.28Å; R34-C43 WeakPolarHBondContact CA-O 3.48Å; C39-C43 VanDerWaalsContact CB-SG 3.53Å; P40-C43 PolarHBondContact O-N 3.17Å; P40-C43 PolarHBondContact O-SG 3.18Å; D41-C43 PolarHBondContact O-N 3Å | ||
| 44 | V | 76.5 | Confident | 83.2 | Confident | 109 Ų | 109 | 68.1 Ų | 68.1 | 66% | 0.661 | 40% | 0.399 | S | S | * | . | trans | -132.6 | 11.9 | -175.3 | -66.5 | 0 | 0 | 0 | 0 | 114.4 | S42 | S42-V44 PolarHBondContact O-N 3.34Š| ||
| 45 | S | 79.1 | Confident | 83.2 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 43% | 0.427 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -78.5 | -42.6 | -172.9 | -59.2 | 0 | 0 | 0 | 0 | 113.6 | G32 | G32-S45 WeakPolarHBondContact O-CB 3.49Å; G32-S45 PolarHBondContact O-N 3.36Å; G32-S45 VanDerWaalsContact O-N 3.09Å |
| 46 | I | 87.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -129.8 | 131.8 | -180 | -60.2 | 170.8 | 0 | 0 | 0 | 108.3 | G32 L33 R34 P48 L64 N86 I88 R118 C120 | G32-I46 PolarHBondContact O-N 3.02Å; L33-I46 CarbonylContact C-O 3.36Å; L33-I46 WeakPolarHBondContact CA-O 3.42Å; L33-I46 HydrophobicContact CD2-CB 4.04Å; L33-I46 HydrophobicContact CD2-CG2 4.29Å; R34-I46 PolarHBondContact N-O 3.04Å; I46-P48 VanDerWaalsContact O-CD 3.3Å; I46-P48 WeakPolarHBondContact O-CD 3.41Å; I46-L64 HydrophobicContact CG2-CD2 3.87Å; I46-N86 HydrophobicContact CG2-CB 4.14Å; I46-I88 HydrophobicContact CD1-CG1 4.25Å; I46-R118 HydrophobicContact CG1-CB 4.47Å; I46-R118 WeakPolarHBondContact CG1-O 3.31Å; I46-C120 HydrophobicContact CD1-CB 3.64Å; I46-C120 HydrophobicContact CG1-CB 4.06Å |
| 47 | D | 88.4 | Confident | 83.5 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | trans | -93.2 | 105.9 | 171.2 | -166.9 | -29.9 | 0 | 0 | 0 | 109.3 | R34 T49 D50 V51 | R34-D47 HydrophobicContact CB-CB 4.35Å; R34-D47 WeakPolarHBondContact CD-OD2 3.21Å; R34-D47 IonicContact NH1-OD2 3.25Å; R34-D47 PolarHBondContact NH1-OD2 3.41Å; D47-T49 PolarHBondContact O-N 3.19Å; D47-T49 VanDerWaalsContact O-N 3.14Å; D47-T49 PolarHBondContact OD1-N 2.95Å; D47-T49 PolarHBondContact OD1-OG1 3.32Å; D47-D50 HydrophobicContact CB-CB 4.12Å; D47-D50 CarbonylContact O-C 3.49Å; D47-D50 PolarHBondContact O-N 2.88Å; D47-V51 WeakPolarHBondContact O-CG2 3.46Å | ||
| 48 | P | 87.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.6 | -178.1 | 27.3 | -34.2 | 0 | 0 | 0 | 113.1 | L33 R34 I46 F164 V166 | L33-P48 HydrophobicContact CB-CG 4.33Å; R34-P48 WeakPolarHBondContact O-CD 3.31Å; I46-P48 VanDerWaalsContact O-CD 3.3Å; I46-P48 WeakPolarHBondContact O-CD 3.41Å; P48-F164 HydrophobicContact CB-CB 4.24Å; P48-F164 HydrophobicContact CB-CD1 3.9Å; P48-F164 HydrophobicContact CB-CD2 4.4Å; P48-F164 HydrophobicContact CB-CE1 4.32Å; P48-F164 HydrophobicContact CB-CG 3.95Å; P48-F164 HydrophobicContact CG-CD1 3.41Å; P48-F164 VanDerWaalsContact CG-CD1 3.41Å; P48-F164 HydrophobicContact CG-CD2 4.17Å; P48-F164 HydrophobicContact CG-CE1 3.35Å; P48-F164 HydrophobicContact CG-CE2 4.11Å; P48-F164 HydrophobicContact CG-CG 3.85Å; P48-F164 HydrophobicContact CG-CZ 3.71Å; P48-V166 HydrophobicContact CB-CG2 3.9Å; P48-V166 VanDerWaalsContact O-CG1 3.23Å; P48-V166 WeakPolarHBondContact O-CG1 3.39Å |
| 49 | T | 85 | Confident | 83.8 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 64% | 0.638 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -10.1 | 174.8 | 67 | 0 | 0 | 0 | 0 | 113.4 | D47 | D47-T49 PolarHBondContact O-N 3.19Å; D47-T49 VanDerWaalsContact O-N 3.14Å; D47-T49 PolarHBondContact OD1-N 2.95Å; D47-T49 PolarHBondContact OD1-OG1 3.32Å |
| 50 | D | 87.6 | Confident | 83.8 | Confident | 82 Ų | 82 | 57 Ų | 57 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -124.8 | 42.8 | -179.5 | -176.5 | 43.5 | 0 | 0 | 0 | 111.3 | D47 G52 R118 | D47-D50 HydrophobicContact CB-CB 4.12Å; D47-D50 CarbonylContact O-C 3.49Å; D47-D50 PolarHBondContact O-N 2.88Å; D50-G52 VanDerWaalsContact C-N 3.33Å; D50-R118 PolarHBondContact O-NH1 3.31Å; D50-R118 IonicContact OD2-CZ 3.97Å; D50-R118 IonicContact OD2-NH1 2.84Å; D50-R118 PolarHBondContact OD2-NH1 2.79Å; D50-R118 IonicContact OD2-NH2 2.8Å; D50-R118 PolarHBondContact OD2-NH2 3.4Å |
| 51 | V | 86.2 | Confident | 84.4 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 11% | 0.109 | 37% | 0.371 | C | S | . | . | trans | -81.1 | -16.1 | 179.1 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | D47 H63 L64 N86 V166 | D47-V51 WeakPolarHBondContact O-CG2 3.46Å; V51-H63 WeakPolarHBondContact CG1-O 3.41Å; V51-L64 HydrophobicContact CG1-CD2 4.47Å; V51-L64 HydrophobicContact CG2-CD2 3.86Å; V51-N86 HydrophobicContact CG1-CB 4.33Å; V51-N86 PolarHBondContact O-ND2 3.06Å; V51-V166 HydrophobicContact CB-CG1 4.04Å; V51-V166 HydrophobicContact CG1-CG1 4.43Å; V51-V166 HydrophobicContact CG2-CG1 3.91Å | ||
| 52 | G | 85.6 | Confident | 85.4 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | trans | 79 | -173.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D50 S62 | D50-G52 VanDerWaalsContact C-N 3.33Å; G52-S62 WeakPolarHBondContact O-CB 3.43Å; G52-S62 PolarHBondContact O-OG 2.92Å | ||
| 53 | P | 86.3 | Confident | 86.7 | Confident | 110 Ų | 110 | 47.1 Ų | 47.1 | 71% | 0.714 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -66.8 | 164.4 | 177.6 | 29.5 | -35 | 0 | 0 | 0 | 112 | L55 | P53-L55 PolarHBondContact O-N 3.31Š|
| 54 | P | 87.9 | Confident | 87.9 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | trans | -56.6 | 123.6 | 174.9 | -17 | 26.9 | 0 | 0 | 0 | 110.9 | S56 V59 T61 | P54-S56 VanDerWaalsContact C-N 3.26Å; P54-S56 PolarHBondContact O-N 3.41Å; P54-V59 VanDerWaalsContact CB-O 3.28Å; P54-V59 WeakPolarHBondContact CB-O 3.26Å; P54-T61 WeakPolarHBondContact CB-O 3.33Å | ||
| 55 | L | 88.4 | Confident | 88.8 | Confident | 53 Ų | 53 | 41.8 Ų | 41.8 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -66.5 | -31.1 | -177.7 | -177.3 | 65.5 | 0 | 0 | 0 | 112.3 | P53 I65 V83 F84 Y194 M198 | P53-L55 PolarHBondContact O-N 3.31Å; L55-I65 HydrophobicContact CD2-CD1 3.94Å; L55-V83 HydrophobicContact CD1-CB 4.36Å; L55-V83 WeakPolarHBondContact CD1-O 3.33Å; L55-V83 WeakPolarHBondContact CD2-O 3.38Å; L55-F84 HydrophobicContact CD2-CD1 4.4Å; L55-Y194 WeakPolarHBondContact CB-OH 3.49Å; L55-Y194 HydrophobicContact CD2-CE1 4.12Å; L55-Y194 HydrophobicContact CG-CE1 4.47Å; L55-M198 HydrophobicContact CD1-CE 3.53Å; L55-M198 HydrophobicContact CD2-CE 3.82Å; L55-M198 HydrophobicContact CD2-SD 4.42Å; L55-M198 HydrophobicContact CG-CE 3.46Å; L55-M198 VanDerWaalsContact CG-CE 3.46Å; L55-M198 HydrophobicContact CG-SD 4.22Å; L55-M198 WeakPolarHBondContact O-CG 3.42Å |
| 56 | S | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -127.8 | 135.2 | 175.3 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | P54 I58 V59 Y194 R197 | P54-S56 VanDerWaalsContact C-N 3.26Å; P54-S56 PolarHBondContact O-N 3.41Å; S56-I58 PolarHBondContact O-N 3.44Å; S56-I58 VanDerWaalsContact O-N 3.09Å; S56-I58 VanDerWaalsContact OG-CG2 3.31Å; S56-I58 WeakPolarHBondContact OG-CG2 3.49Å; S56-I58 PolarHBondContact OG-N 3.25Å; S56-V59 PolarHBondContact O-N 2.9Å; S56-V59 VanDerWaalsContact O-N 3.09Å; S56-V59 VanDerWaalsContact O-O 3.1Å; S56-Y194 WeakPolarHBondContact CB-O 3.22Å; S56-Y194 PolarHBondContact OG-O 3.38Å; S56-R197 VanDerWaalsContact OG-CB 3.31Å; S56-R197 WeakPolarHBondContact OG-CB 3.4Å |
| 57 | S | 90.6 | Very high | 90.1 | Very high | 95 Ų | 95 | 38.8 Ų | 38.8 | 66% | 0.664 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.8 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | V59 R197 | S57-V59 PolarHBondContact O-N 3.42Å; S57-R197 PolarHBondContact N-O 3.09Å; S57-R197 WeakPolarHBondContact OG-CB 3.49Å; S57-R197 PolarHBondContact OG-O 3.44Å |
| 58 | I | 91.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.6 | 172.2 | -154.1 | 177.7 | 0 | 0 | 0 | 112.4 | S56 F189 D193 Y194 R197 | S56-I58 PolarHBondContact O-N 3.44Å; S56-I58 VanDerWaalsContact O-N 3.09Å; S56-I58 VanDerWaalsContact OG-CG2 3.31Å; S56-I58 WeakPolarHBondContact OG-CG2 3.49Å; S56-I58 PolarHBondContact OG-N 3.25Å; I58-F189 HydrophobicContact CD1-CB 4.37Å; I58-F189 HydrophobicContact CD1-CD1 3.25Å; I58-F189 HydrophobicContact CD1-CD2 4.41Å; I58-F189 HydrophobicContact CD1-CE1 3.46Å; I58-F189 VanDerWaalsContact CD1-CE1 3.46Å; I58-F189 HydrophobicContact CD1-CG 3.75Å; I58-F189 HydrophobicContact CD1-CZ 4.15Å; I58-F189 HydrophobicContact CG1-CD1 4.11Å; I58-F189 HydrophobicContact CG1-CE1 3.8Å; I58-F189 HydrophobicContact CG1-CZ 4.13Å; I58-F189 HydrophobicContact CG2-CD2 4.26Å; I58-F189 HydrophobicContact CG2-CE2 4.21Å; I58-F189 HydrophobicContact CG2-CZ 4.41Å; I58-D193 HydrophobicContact CD1-CB 4.35Å; I58-Y194 HydrophobicContact CG2-CD2 3.87Å; I58-Y194 HydrophobicContact CG2-CE2 4.39Å; I58-R197 HydrophobicContact CB-CB 4.33Å; I58-R197 VanDerWaalsContact CB-CD 3.44Å |
| 59 | V | 90.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -110.4 | 116.6 | 177.3 | -168.3 | 0 | 0 | 0 | 0 | 107.2 | P54 S56 S57 T61 H63 V169 L187 F189 Y194 | P54-V59 VanDerWaalsContact CB-O 3.28Å; P54-V59 WeakPolarHBondContact CB-O 3.26Å; S56-V59 PolarHBondContact O-N 2.9Å; S56-V59 VanDerWaalsContact O-N 3.09Å; S56-V59 VanDerWaalsContact O-O 3.1Å; S57-V59 PolarHBondContact O-N 3.42Å; V59-T61 PolarHBondContact O-N 3.35Å; V59-H63 HydrophobicContact CG1-CB 4.26Å; V59-H63 WeakPolarHBondContact CG1-ND1 3.12Å; V59-V169 HydrophobicContact CG1-CG2 4.08Å; V59-V169 HydrophobicContact CG2-CG2 3.9Å; V59-L187 HydrophobicContact CG1-CD1 4.46Å; V59-F189 HydrophobicContact CG2-CD2 4.46Å; V59-F189 HydrophobicContact CG2-CE2 3.8Å; V59-F189 HydrophobicContact CG2-CZ 4.5Å; V59-Y194 HydrophobicContact CG2-CE2 4.23Å |
| 60 | G | 84.7 | Confident | 90.7 | Very high | 76 Ų | 76 | 33.6 Ų | 33.6 | 78% | 0.784 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -72.7 | -6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 61 | T | 88.9 | Confident | 90.9 | Very high | 61 Ų | 61 | 29.7 Ų | 29.7 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -127.5 | 155.2 | -171.7 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | P54 V59 H63 D167 | P54-T61 WeakPolarHBondContact CB-O 3.33Å; V59-T61 PolarHBondContact O-N 3.35Å; T61-H63 PolarHBondContact O-ND1 3.31Å; T61-D167 WeakPolarHBondContact CB-OD2 3.39Å; T61-D167 PolarHBondContact OG1-OD2 3.02Å |
| 62 | S | 91.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 28.9 Ų | 28.9 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | trans | -60.8 | 138.1 | 168.7 | -61.8 | 0 | 0 | 0 | 0 | 109.2 | G52 V166 D167 | G52-S62 WeakPolarHBondContact O-CB 3.43Å; G52-S62 PolarHBondContact O-OG 2.92Å; S62-V166 CarbonylContact O-C 3.6Å; S62-V166 WeakPolarHBondContact O-CA 3.31Å; S62-V166 WeakPolarHBondContact O-CB 3.45Å; S62-D167 PolarHBondContact O-N 3.37Å | ||
| 63 | H | 94.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156 | -169.6 | 54.9 | -86.4 | 0 | 0 | 0 | 113.1 | V51 V59 T61 D167 V169 Y194 | V51-H63 WeakPolarHBondContact CG1-O 3.41Å; V59-H63 HydrophobicContact CG1-CB 4.26Å; V59-H63 WeakPolarHBondContact CG1-ND1 3.12Å; T61-H63 PolarHBondContact O-ND1 3.31Å; H63-D167 CarbonylContact C-O 3.58Å; H63-D167 WeakPolarHBondContact CA-O 3.46Å; H63-D167 HydrophobicContact CB-CB 4.21Å; H63-D167 WeakPolarHBondContact CB-O 3.25Å; H63-V169 HydrophobicContact CB-CG2 3.89Å; H63-Y194 AromaticContact NE2-CE2 3.49Å; H63-Y194 WeakPolarHBondContact NE2-CE2 3.4Å; H63-Y194 AromaticContact NE2-CZ 3.51Å; H63-Y194 PolarHBondContact NE2-OH 3.26Å |
| 64 | L | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 147.8 | 170.3 | -53.9 | -179.2 | 0 | 0 | 0 | 109.7 | L33 I46 V51 N86 I88 L159 V166 D167 V168 V169 | L33-L64 HydrophobicContact CD1-CD1 4.25Å; L33-L64 HydrophobicContact CD2-CD1 3.68Å; I46-L64 HydrophobicContact CG2-CD2 3.87Å; V51-L64 HydrophobicContact CG1-CD2 4.47Å; V51-L64 HydrophobicContact CG2-CD2 3.86Å; L64-N86 HydrophobicContact CD2-CB 3.88Å; L64-I88 HydrophobicContact CB-CD1 3.99Å; L64-I88 HydrophobicContact CD1-CD1 3.84Å; L64-L159 HydrophobicContact CD1-CD1 4.35Å; L64-L159 HydrophobicContact CD1-CD2 4.13Å; L64-V166 HydrophobicContact CD1-CG2 4.46Å; L64-V166 HydrophobicContact CG-CG2 4.26Å; L64-D167 PolarHBondContact N-O 3.02Å; L64-V168 HydrophobicContact CB-CG2 4.46Å; L64-V168 WeakPolarHBondContact O-CA 3.21Å; L64-V169 PolarHBondContact O-N 3.12Å |
| 65 | I | 96.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.7 | -178.8 | -60 | 172.5 | 0 | 0 | 0 | 109.2 | L55 L67 F84 N86 V87 I88 L171 Y194 | L55-I65 HydrophobicContact CD2-CD1 3.94Å; I65-L67 HydrophobicContact CG2-CD2 3.55Å; I65-L67 HydrophobicContact CG2-CG 4.43Å; I65-F84 HydrophobicContact CD1-CD1 4.04Å; I65-N86 PolarHBondContact N-O 3.45Å; I65-N86 VanDerWaalsContact N-O 3.17Å; I65-V87 HydrophobicContact CB-CG2 4.29Å; I65-V87 CarbonylContact O-C 3.49Å; I65-V87 WeakPolarHBondContact O-CA 3.48Å; I65-I88 PolarHBondContact O-N 2.97Å; I65-L171 HydrophobicContact CG2-CD1 3.61Å; I65-L171 HydrophobicContact CG2-CG 3.92Å; I65-Y194 HydrophobicContact CD1-CE1 4.47Å |
| 66 | M | 97.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.2 | 168.7 | -171.2 | 167.4 | -69.4 | 0 | 0 | 109.5 | I88 I148 A151 M152 Y155 V168 V169 L170 L171 | M66-I88 HydrophobicContact CE-CB 4.25Å; M66-I88 HydrophobicContact CE-CD1 4.46Å; M66-I88 HydrophobicContact CE-CG2 3.83Å; M66-I148 HydrophobicContact CG-CG2 4.26Å; M66-I148 HydrophobicContact SD-CG2 4.11Å; M66-A151 HydrophobicContact CE-CB 4.38Å; M66-A151 HydrophobicContact SD-CB 4.28Å; M66-M152 HydrophobicContact SD-CB 3.87Å; M66-M152 HydrophobicContact SD-CG 4.49Å; M66-Y155 HydrophobicContact CE-CD2 3.54Å; M66-Y155 HydrophobicContact CE-CE2 3.95Å; M66-Y155 HydrophobicContact CE-CG 4.22Å; M66-V168 HydrophobicContact CB-CG2 4.34Å; M66-V169 PolarHBondContact N-O 3.34Å; M66-L170 WeakPolarHBondContact O-CA 3.47Å; M66-L171 PolarHBondContact O-N 2.87Å |
| 67 | L | 95.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.8 | -177.8 | -51.9 | 179.1 | 0 | 0 | 0 | 111.2 | I65 L71 V72 L79 V87 L171 | I65-L67 HydrophobicContact CG2-CD2 3.55Å; I65-L67 HydrophobicContact CG2-CG 4.43Å; L67-L71 HydrophobicContact CD2-CD2 4Å; L67-V72 HydrophobicContact CB-CG2 3.81Å; L67-V72 HydrophobicContact CD1-CG2 3.81Å; L67-V72 HydrophobicContact CG-CG2 4.49Å; L67-L79 HydrophobicContact CD1-CD1 3.66Å; L67-L79 HydrophobicContact CD1-CD2 3.71Å; L67-L79 HydrophobicContact CD1-CG 4.33Å; L67-L79 HydrophobicContact CD2-CD2 4.06Å; L67-V87 HydrophobicContact CD1-CG1 3.59Å; L67-V87 HydrophobicContact CD2-CG1 4.33Å; L67-V87 HydrophobicContact CG-CG1 3.68Å; L67-L171 HydrophobicContact CD2-CB 4.3Å; L67-L171 HydrophobicContact CD2-CD1 4.43Å |
| 68 | D | 93.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.027 | 13% | 0.132 | C | C | . | . | trans | -76.7 | 175.9 | 168 | 93.3 | -34.4 | 0 | 0 | 0 | 111.9 | G70 L71 V72 I148 L170 L171 | D68-G70 PolarHBondContact OD1-N 2.98Å; D68-G70 PolarHBondContact OD2-N 3.24Å; D68-L71 WeakPolarHBondContact OD1-CB 3.48Å; D68-L71 PolarHBondContact OD1-N 3.39Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-I148 HydrophobicContact CB-CD1 4.41Å; D68-L170 HydrophobicContact CB-CD1 4.44Å; D68-L171 PolarHBondContact N-O 3.23Å | ||
| 69 | T | 92.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.7 | -33.3 | 179.6 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | L73 E96 | T69-L73 HydrophobicContact CG2-CD1 4.01Å; T69-L73 WeakPolarHBondContact O-CD1 3.37Å; T69-L73 WeakPolarHBondContact O-CG 3.44Å; T69-L73 PolarHBondContact O-N 3.45Å; T69-E96 HydrophobicContact CG2-CB 3.6Å; T69-E96 HydrophobicContact CG2-CG 4.48Å |
| 70 | G | 89 | Confident | 90.7 | Very high | 18 Ų | 18 | 21.5 Ų | 21.5 | 19% | 0.186 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D68 L73 Q74 | D68-G70 PolarHBondContact OD1-N 2.98Å; D68-G70 PolarHBondContact OD2-N 3.24Å; G70-L73 WeakPolarHBondContact O-CB 3.49Å; G70-L73 PolarHBondContact O-N 2.92Å; G70-L73 VanDerWaalsContact O-N 3.16Å; G70-Q74 WeakPolarHBondContact O-CB 3.43Å; G70-Q74 WeakPolarHBondContact O-CG 3.22Å; G70-Q74 PolarHBondContact O-N 2.99Å |
| 71 | L | 91.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | -176.2 | -167.7 | 154.6 | 0 | 0 | 0 | 111.8 | L67 D68 L73 Q74 E75 L79 L171 L191 | L67-L71 HydrophobicContact CD2-CD2 4Å; D68-L71 WeakPolarHBondContact OD1-CB 3.48Å; D68-L71 PolarHBondContact OD1-N 3.39Å; L71-L73 PolarHBondContact O-N 3.15Å; L71-Q74 PolarHBondContact O-N 3.32Å; L71-E75 HydrophobicContact CD2-CB 4.2Å; L71-E75 HydrophobicContact CG-CB 4.29Å; L71-E75 HydrophobicContact CG-CG 4.18Å; L71-E75 WeakPolarHBondContact O-CA 3.43Å; L71-E75 WeakPolarHBondContact O-CB 3.41Å; L71-E75 PolarHBondContact O-N 3.24Å; L71-L79 HydrophobicContact CD2-CD1 3.88Å; L71-L79 HydrophobicContact CD2-CD2 3.93Å; L71-L79 HydrophobicContact CD2-CG 4.11Å; L71-L171 HydrophobicContact CD1-CB 3.64Å; L71-L191 HydrophobicContact CD1-CB 3.88Å; L71-L191 HydrophobicContact CD1-CD1 4.27Å; L71-L191 HydrophobicContact CD1-CD2 4.09Å; L71-L191 HydrophobicContact CD1-CG 4.31Å; L71-L191 HydrophobicContact CD2-CD2 4.22Å; L71-L191 HydrophobicContact CG-CD2 4.06Å |
| 72 | V | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.8 | -29.9 | 174.7 | 179 | 0 | 0 | 0 | 0 | 112.4 | L67 D68 M76 L79 T93 V97 L108 | L67-V72 HydrophobicContact CB-CG2 3.81Å; L67-V72 HydrophobicContact CD1-CG2 3.81Å; L67-V72 HydrophobicContact CG-CG2 4.49Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; V72-M76 HydrophobicContact CG1-SD 4.04Å; V72-L79 HydrophobicContact CB-CD1 4.49Å; V72-L79 HydrophobicContact CG2-CD1 4.15Å; V72-T93 HydrophobicContact CB-CG2 4.19Å; V72-T93 HydrophobicContact CG2-CG2 3.8Å; V72-V97 HydrophobicContact CB-CG2 4.08Å; V72-V97 HydrophobicContact CG1-CG1 4.45Å; V72-V97 HydrophobicContact CG1-CG2 3.69Å; V72-L108 HydrophobicContact CG1-CD1 4.16Å; V72-L108 HydrophobicContact CG1-CD2 3.94Å |
| 73 | L | 85.8 | Confident | 90.6 | Very high | 32 Ų | 32 | 22.2 Ų | 22.2 | 17% | 0.168 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -80.5 | -29.3 | 178.5 | -73.7 | 170.6 | 0 | 0 | 0 | 113.4 | T69 G70 L71 V97 R100 | T69-L73 HydrophobicContact CG2-CD1 4.01Å; T69-L73 WeakPolarHBondContact O-CD1 3.37Å; T69-L73 WeakPolarHBondContact O-CG 3.44Å; T69-L73 PolarHBondContact O-N 3.45Å; G70-L73 WeakPolarHBondContact O-CB 3.49Å; G70-L73 PolarHBondContact O-N 2.92Å; G70-L73 VanDerWaalsContact O-N 3.16Å; L71-L73 PolarHBondContact O-N 3.15Å; L73-V97 HydrophobicContact CD2-CB 4.37Å; L73-V97 HydrophobicContact CD2-CG1 4.15Å; L73-V97 HydrophobicContact CD2-CG2 4.13Å; L73-V97 HydrophobicContact CG-CG2 4.12Å; L73-R100 HydrophobicContact CD1-CB 4.08Å; L73-R100 VanDerWaalsContact CD1-NH1 3.3Å; L73-R100 HydrophobicContact CD2-CB 4.14Å |
| 74 | Q | 84.2 | Confident | 90.4 | Very high | 108 Ų | 108 | 21.8 Ų | 21.8 | 51% | 0.505 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -98 | -37.2 | -173.5 | -70.9 | 171.1 | -10.7 | 0 | 0 | 112.6 | G70 L71 | G70-Q74 WeakPolarHBondContact O-CB 3.43Å; G70-Q74 WeakPolarHBondContact O-CG 3.22Å; G70-Q74 PolarHBondContact O-N 2.99Å; L71-Q74 PolarHBondContact O-N 3.32Å |
| 75 | E | 89.4 | Confident | 90.1 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | trans | -116.9 | 28.1 | -163.6 | -54.3 | -70.3 | -179.8 | 0 | 0 | 111.5 | L71 D77 L78 L79 N173 L191 M208 A209 | L71-E75 HydrophobicContact CD2-CB 4.2Å; L71-E75 HydrophobicContact CG-CB 4.29Å; L71-E75 HydrophobicContact CG-CG 4.18Å; L71-E75 WeakPolarHBondContact O-CA 3.43Å; L71-E75 WeakPolarHBondContact O-CB 3.41Å; L71-E75 PolarHBondContact O-N 3.24Å; E75-D77 VanDerWaalsContact C-N 3.27Å; E75-D77 PolarHBondContact O-N 3.25Å; E75-L78 PolarHBondContact O-N 3.01Å; E75-L79 WeakPolarHBondContact O-CG 3.39Å; E75-L79 PolarHBondContact O-N 3.13Å; E75-N173 PolarHBondContact OE1-ND2 3.49Å; E75-L191 HydrophobicContact CB-CD2 3.63Å; E75-L191 HydrophobicContact CG-CD2 3.47Å; E75-L191 VanDerWaalsContact CG-CD2 3.47Å; E75-M208 WeakPolarHBondContact OE2-CA 3.29Å; E75-A209 PolarHBondContact OE2-N 3.27Å | ||
| 76 | M | 88 | Confident | 90 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.3 | -35.7 | -175.7 | -162.6 | 68.2 | -164.1 | 0 | 0 | 112.5 | V72 L78 L79 E80 R107 L108 L111 | V72-M76 HydrophobicContact CG1-SD 4.04Å; M76-L78 VanDerWaalsContact C-N 3.3Å; M76-L78 PolarHBondContact O-N 2.85Å; M76-L79 PolarHBondContact O-N 3.2Å; M76-L79 HydrophobicContact SD-CD1 4.42Å; M76-E80 WeakPolarHBondContact O-CG 3.46Å; M76-E80 PolarHBondContact O-N 2.93Å; M76-E80 VanDerWaalsContact O-N 3.13Å; M76-R107 VanDerWaalsContact CE-C 3.48Å; M76-R107 HydrophobicContact CE-CB 3.57Å; M76-R107 HydrophobicContact CG-CB 4.09Å; M76-L108 VanDerWaalsContact CE-CA 3.48Å; M76-L108 HydrophobicContact CE-CB 3.91Å; M76-L108 HydrophobicContact CE-CD1 4.39Å; M76-L111 HydrophobicContact CE-CD1 3.57Å; M76-L111 HydrophobicContact CE-CG 4.39Å |
| 77 | D | 84.6 | Confident | 89.9 | Confident | 22 Ų | 22 | 26.3 Ų | 26.3 | 12% | 0.118 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -35.4 | 177.4 | -61.5 | -58 | 0 | 0 | 0 | 112 | E75 R107 H419 V421 | E75-D77 VanDerWaalsContact C-N 3.27Å; E75-D77 PolarHBondContact O-N 3.25Å; D77-R107 IonicContact OD1-CZ 3.96Å; D77-R107 VanDerWaalsContact OD1-CZ 3.23Å; D77-R107 IonicContact OD1-NH1 3.3Å; D77-R107 PolarHBondContact OD1-NH1 2.65Å; D77-R107 IonicContact OD1-NH2 3.46Å; D77-R107 PolarHBondContact OD1-NH2 3.21Å; D77-R107 IonicContact OD2-NH1 3.44Å; D77-H419 IonicContact OD2-CE1 3.36Å; D77-H419 IonicContact OD2-NE2 2.65Å; D77-V421 HydrophobicContact CB-CG1 4.48Å |
| 78 | L | 88.5 | Confident | 89.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -76.5 | -40.8 | 174.3 | 178.9 | 59.7 | 0 | 0 | 0 | 112.3 | E75 M76 E80 D81 F84 L191 V195 L204 R207 M208 | E75-L78 PolarHBondContact O-N 3.01Å; M76-L78 VanDerWaalsContact C-N 3.3Å; M76-L78 PolarHBondContact O-N 2.85Å; L78-E80 PolarHBondContact O-N 3.36Å; L78-D81 VanDerWaalsContact O-CB 3.31Å; L78-D81 WeakPolarHBondContact O-CB 3.37Å; L78-D81 PolarHBondContact O-N 3.48Å; L78-F84 HydrophobicContact CD1-CE2 3.83Å; L78-F84 HydrophobicContact CD2-CE2 4.41Å; L78-F84 HydrophobicContact CD2-CZ 4.44Å; L78-F84 HydrophobicContact CG-CE2 3.71Å; L78-F84 HydrophobicContact CG-CZ 4.2Å; L78-F84 WeakPolarHBondContact O-CD2 3.42Å; L78-L191 HydrophobicContact CD2-CD1 4.43Å; L78-L191 HydrophobicContact CD2-CD2 3.61Å; L78-L191 HydrophobicContact CD2-CG 4.06Å; L78-V195 HydrophobicContact CD2-CG2 4.15Å; L78-L204 HydrophobicContact CD1-CB 3.91Å; L78-L204 HydrophobicContact CD1-CD2 3.67Å; L78-L204 HydrophobicContact CD1-CG 4.36Å; L78-R207 HydrophobicContact CD1-CB 4.34Å; L78-M208 HydrophobicContact CD2-CG 3.58Å; L78-M208 HydrophobicContact CD2-SD 4.43Å |
| 79 | L | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -21.1 | 178.1 | -70.7 | 176 | 0 | 0 | 0 | 113.7 | L67 L71 V72 E75 M76 D81 F84 R117 | L67-L79 HydrophobicContact CD1-CD1 3.66Å; L67-L79 HydrophobicContact CD1-CD2 3.71Å; L67-L79 HydrophobicContact CD1-CG 4.33Å; L67-L79 HydrophobicContact CD2-CD2 4.06Å; L71-L79 HydrophobicContact CD2-CD1 3.88Å; L71-L79 HydrophobicContact CD2-CD2 3.93Å; L71-L79 HydrophobicContact CD2-CG 4.11Å; V72-L79 HydrophobicContact CB-CD1 4.49Å; V72-L79 HydrophobicContact CG2-CD1 4.15Å; E75-L79 WeakPolarHBondContact O-CG 3.39Å; E75-L79 PolarHBondContact O-N 3.13Å; M76-L79 PolarHBondContact O-N 3.2Å; M76-L79 HydrophobicContact SD-CD1 4.42Å; L79-D81 VanDerWaalsContact C-N 3.28Å; L79-F84 HydrophobicContact CD2-CD1 4.47Å; L79-F84 HydrophobicContact CD2-CG 4.47Å; L79-R117 PolarHBondContact O-NH2 3.05Å; L79-R117 VanDerWaalsContact O-NH2 3.08Å |
| 80 | E | 89.4 | Confident | 90.3 | Very high | 68 Ų | 68 | 25.8 Ų | 25.8 | 32% | 0.318 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.7 | 173.5 | -80.1 | 179.9 | 177.3 | 0 | 0 | 113.4 | M76 L78 R107 L111 R117 | M76-E80 WeakPolarHBondContact O-CG 3.46Å; M76-E80 PolarHBondContact O-N 2.93Å; M76-E80 VanDerWaalsContact O-N 3.13Å; L78-E80 PolarHBondContact O-N 3.36Å; E80-R107 WeakPolarHBondContact OE1-CB 3.45Å; E80-R107 WeakPolarHBondContact OE1-CG 3.41Å; E80-R107 IonicContact OE1-CZ 2.93Å; E80-R107 IonicContact OE1-NE 3.32Å; E80-R107 PolarHBondContact OE1-NE 3.22Å; E80-R107 IonicContact OE1-NH2 2.85Å; E80-R107 PolarHBondContact OE1-NH2 2.74Å; E80-R107 IonicContact OE2-CZ 2.9Å; E80-R107 IonicContact OE2-NE 2.69Å; E80-R107 IonicContact OE2-NH2 3.59Å; E80-R107 PolarHBondContact OE2-NH2 3.48Å; E80-L111 HydrophobicContact CG-CD1 4.09Å; E80-L111 HydrophobicContact CG-CD2 4.26Å; E80-L111 HydrophobicContact CG-CG 4.39Å; E80-R117 VanDerWaalsContact O-CZ 3.26Å; E80-R117 PolarHBondContact O-NH1 3.43Å; E80-R117 PolarHBondContact O-NH2 2.83Å |
| 81 | D | 88.5 | Confident | 90.6 | Very high | 29 Ų | 29 | 25.9 Ų | 25.9 | 16% | 0.155 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -67.1 | 143.3 | 171.4 | -161.4 | -79.4 | 0 | 0 | 0 | 111.8 | L78 L79 V83 F84 R117 L204 R207 | L78-D81 VanDerWaalsContact O-CB 3.31Å; L78-D81 WeakPolarHBondContact O-CB 3.37Å; L78-D81 PolarHBondContact O-N 3.48Å; L79-D81 VanDerWaalsContact C-N 3.28Å; D81-V83 HydrophobicContact CB-CG2 4.03Å; D81-V83 PolarHBondContact O-N 3.27Å; D81-V83 WeakPolarHBondContact OD1-CG1 3.43Å; D81-V83 VanDerWaalsContact OD1-CG2 3.25Å; D81-V83 WeakPolarHBondContact OD1-CG2 3.37Å; D81-V83 PolarHBondContact OD1-N 2.94Å; D81-F84 PolarHBondContact O-N 2.98Å; D81-R117 PolarHBondContact O-NH2 3.42Å; D81-L204 HydrophobicContact CB-CD2 4.12Å; D81-R207 IonicContact OD2-CZ 2.68Å; D81-R207 IonicContact OD2-NH1 3.37Å; D81-R207 PolarHBondContact OD2-NH1 3.49Å; D81-R207 IonicContact OD2-NH2 3.96Å; D81-R207 PolarHBondContact OD2-NH2 3.41Å |
| 82 | D | 85.9 | Confident | 90.7 | Very high | 104 Ų | 104 | 26.1 Ų | 26.1 | 56% | 0.556 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.3 | -175.8 | -72.6 | -26.3 | 0 | 0 | 0 | 113.6 | F84 K85 R117 | D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.46Å; D82-K85 VanDerWaalsContact O-CE 3.26Å; D82-K85 WeakPolarHBondContact O-CE 3.28Å; D82-R117 IonicContact OD1-CZ 3.47Å; D82-R117 IonicContact OD1-NE 2.97Å; D82-R117 IonicContact OD1-NH1 3.59Å; D82-R117 PolarHBondContact OD1-NH1 3.06Å |
| 83 | V | 88.9 | Confident | 90.9 | Very high | 54 Ų | 54 | 26.1 Ų | 26.1 | 33% | 0.327 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -30.9 | 172.3 | -66.2 | 0 | 0 | 0 | 0 | 112.7 | L55 D81 K85 M198 L204 | L55-V83 HydrophobicContact CD1-CB 4.36Å; L55-V83 WeakPolarHBondContact CD1-O 3.33Å; L55-V83 WeakPolarHBondContact CD2-O 3.38Å; D81-V83 HydrophobicContact CB-CG2 4.03Å; D81-V83 PolarHBondContact O-N 3.27Å; D81-V83 WeakPolarHBondContact OD1-CG1 3.43Å; D81-V83 VanDerWaalsContact OD1-CG2 3.25Å; D81-V83 WeakPolarHBondContact OD1-CG2 3.37Å; D81-V83 PolarHBondContact OD1-N 2.94Å; V83-K85 PolarHBondContact O-N 3.3Å; V83-M198 HydrophobicContact CB-CE 3.99Å; V83-M198 HydrophobicContact CG2-CE 3.89Å; V83-L204 HydrophobicContact CG2-CD1 3.81Å; V83-L204 HydrophobicContact CG2-CD2 3.75Å; V83-L204 HydrophobicContact CG2-CG 4.46Å |
| 84 | F | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -83.9 | 104 | 179.2 | -70 | -79.5 | 0 | 0 | 0 | 109.6 | L55 I65 L78 L79 D81 D82 V87 F119 L171 L191 Y194 V195 M198 | L55-F84 HydrophobicContact CD2-CD1 4.4Å; I65-F84 HydrophobicContact CD1-CD1 4.04Å; L78-F84 HydrophobicContact CD1-CE2 3.83Å; L78-F84 HydrophobicContact CD2-CE2 4.41Å; L78-F84 HydrophobicContact CD2-CZ 4.44Å; L78-F84 HydrophobicContact CG-CE2 3.71Å; L78-F84 HydrophobicContact CG-CZ 4.2Å; L78-F84 WeakPolarHBondContact O-CD2 3.42Å; L79-F84 HydrophobicContact CD2-CD1 4.47Å; L79-F84 HydrophobicContact CD2-CG 4.47Å; D81-F84 PolarHBondContact O-N 2.98Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.46Å; F84-V87 HydrophobicContact CB-CG2 4.47Å; F84-F119 WeakPolarHBondContact O-CE2 3.5Å; F84-L171 HydrophobicContact CE1-CD1 4.37Å; F84-L191 HydrophobicContact CE1-CD1 4.35Å; F84-L191 HydrophobicContact CZ-CD1 4.19Å; F84-Y194 HydrophobicContact CE1-CE1 4.37Å; F84-V195 HydrophobicContact CZ-CG2 4.12Å; F84-M198 HydrophobicContact CZ-SD 4.49Å | ||
| 85 | K | 90.6 | Very high | 91.6 | Very high | 85 Ų | 85 | 22.8 Ų | 22.8 | 37% | 0.37 | 12% | 0.117 | S | C | . | . | trans | -131.2 | 168 | 174.5 | -67.2 | -177.4 | 178.7 | 178.8 | 0 | 110.1 | D82 V83 V87 | D82-K85 VanDerWaalsContact O-CE 3.26Å; D82-K85 WeakPolarHBondContact O-CE 3.28Å; V83-K85 PolarHBondContact O-N 3.3Å; K85-V87 VanDerWaalsContact C-N 3.31Å; K85-V87 PolarHBondContact O-N 3.3Å | ||
| 86 | N | 93.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 60.9 | 41.8 | 178.6 | -44.6 | -55.2 | 0 | 0 | 0 | 112.1 | I46 V51 L64 I65 R118 | I46-N86 HydrophobicContact CG2-CB 4.14Å; V51-N86 HydrophobicContact CG1-CB 4.33Å; V51-N86 PolarHBondContact O-ND2 3.06Å; L64-N86 HydrophobicContact CD2-CB 3.88Å; I65-N86 PolarHBondContact N-O 3.45Å; I65-N86 VanDerWaalsContact N-O 3.17Å; N86-R118 WeakPolarHBondContact CA-O 3.3Å; N86-R118 PolarHBondContact N-O 2.86Å; N86-R118 VanDerWaalsContact OD1-CD 3.26Å; N86-R118 WeakPolarHBondContact OD1-CD 3.45Å |
| 87 | V | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.1 | -174 | -177 | 0 | 0 | 0 | 0 | 110.3 | I65 L67 F84 K85 V89 R118 F119 C120 | I65-V87 HydrophobicContact CB-CG2 4.29Å; I65-V87 CarbonylContact O-C 3.49Å; I65-V87 WeakPolarHBondContact O-CA 3.48Å; L67-V87 HydrophobicContact CD1-CG1 3.59Å; L67-V87 HydrophobicContact CD2-CG1 4.33Å; L67-V87 HydrophobicContact CG-CG1 3.68Å; F84-V87 HydrophobicContact CB-CG2 4.47Å; K85-V87 VanDerWaalsContact C-N 3.31Å; K85-V87 PolarHBondContact O-N 3.3Å; V87-V89 HydrophobicContact CG1-CG2 4.14Å; V87-R118 PolarHBondContact N-O 3.01Å; V87-F119 HydrophobicContact CB-CD1 3.79Å; V87-F119 HydrophobicContact CB-CD2 4.12Å; V87-F119 HydrophobicContact CB-CE1 3.75Å; V87-F119 HydrophobicContact CB-CE2 4.08Å; V87-F119 HydrophobicContact CB-CG 3.98Å; V87-F119 HydrophobicContact CB-CZ 3.9Å; V87-F119 HydrophobicContact CG1-CD1 3.94Å; V87-F119 HydrophobicContact CG1-CE1 3.73Å; V87-F119 HydrophobicContact CG1-CZ 4.25Å; V87-F119 HydrophobicContact CG2-CD1 4.44Å; V87-F119 HydrophobicContact CG2-CD2 4.25Å; V87-F119 HydrophobicContact CG2-CE1 3.97Å; V87-F119 HydrophobicContact CG2-CE2 3.76Å; V87-F119 HydrophobicContact CG2-CZ 3.61Å; V87-F119 CarbonylContact O-C 3.57Å; V87-F119 WeakPolarHBondContact O-CA 3.28Å; V87-C120 PolarHBondContact O-N 3.49Å |
| 88 | I | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.5 | 173 | -58.4 | 160.6 | 0 | 0 | 0 | 109 | I46 L64 I65 M66 F122 Y155 | I46-I88 HydrophobicContact CD1-CG1 4.25Å; L64-I88 HydrophobicContact CB-CD1 3.99Å; L64-I88 HydrophobicContact CD1-CD1 3.84Å; I65-I88 PolarHBondContact O-N 2.97Å; M66-I88 HydrophobicContact CE-CB 4.25Å; M66-I88 HydrophobicContact CE-CD1 4.46Å; M66-I88 HydrophobicContact CE-CG2 3.83Å; I88-F122 HydrophobicContact CG2-CB 3.85Å; I88-Y155 HydrophobicContact CD1-CD1 3.72Å; I88-Y155 HydrophobicContact CD1-CD2 4.46Å; I88-Y155 HydrophobicContact CD1-CE1 3.47Å; I88-Y155 VanDerWaalsContact CD1-CE1 3.47Å; I88-Y155 HydrophobicContact CD1-CE2 4.24Å; I88-Y155 HydrophobicContact CD1-CG 4.21Å; I88-Y155 HydrophobicContact CG1-CE1 4.41Å; I88-Y155 HydrophobicContact CG2-CE2 3.97Å |
| 89 | V | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.9 | 175.5 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | V87 T93 V94 L108 L112 F119 C120 L121 F122 | V87-V89 HydrophobicContact CG1-CG2 4.14Å; V89-T93 HydrophobicContact CG1-CG2 4.12Å; V89-V94 HydrophobicContact CG1-CG2 3.69Å; V89-L108 HydrophobicContact CG1-CD1 4.33Å; V89-L108 HydrophobicContact CG1-CD2 4.23Å; V89-L108 HydrophobicContact CG2-CD1 4.23Å; V89-L112 HydrophobicContact CB-CD2 4.47Å; V89-L112 HydrophobicContact CG2-CD2 4.43Å; V89-F119 HydrophobicContact CG2-CD1 4.05Å; V89-C120 PolarHBondContact N-O 2.86Å; V89-L121 WeakPolarHBondContact O-CA 3.34Å; V89-L121 WeakPolarHBondContact O-CD1 3.31Å; V89-F122 PolarHBondContact O-N 2.9Å |
| 90 | C | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 145.5 | 176.3 | -73.8 | 0 | 0 | 0 | 0 | 111 | T92 T93 V94 F122 I148 | C90-T92 PolarHBondContact O-N 2.83Å; C90-T93 WeakPolarHBondContact O-CA 3.27Å; C90-T93 VanDerWaalsContact O-CB 3.31Å; C90-T93 WeakPolarHBondContact O-CB 3.42Å; C90-T93 PolarHBondContact O-N 3.14Å; C90-V94 PolarHBondContact O-N 3.46Å; C90-V94 VanDerWaalsContact O-N 3.11Å; C90-F122 CarbonylContact C-O 3.44Å; C90-I148 HydrophobicContact CB-CG1 4.44Å |
| 91 | Q | 95.3 | Very high | 90.7 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.7 | -38 | 172.8 | -179.4 | -165.9 | -17.8 | 0 | 0 | 111.6 | T93 V94 D95 L121 F122 Y123 N124 E125 F126 | Q91-T93 VanDerWaalsContact C-N 3.27Å; Q91-T93 PolarHBondContact O-N 2.95Å; Q91-V94 PolarHBondContact O-N 3.48Å; Q91-V94 VanDerWaalsContact O-N 3.15Å; Q91-D95 PolarHBondContact NE2-OD2 3Å; Q91-D95 WeakPolarHBondContact O-CB 3.26Å; Q91-D95 PolarHBondContact O-N 3.23Å; Q91-L121 HydrophobicContact CB-CD1 4.36Å; Q91-F122 PolarHBondContact N-O 3.22Å; Q91-Y123 HydrophobicContact CB-CD1 4.47Å; Q91-Y123 HydrophobicContact CG-CD1 4.42Å; Q91-N124 PolarHBondContact N-OD1 2.91Å; Q91-N124 VanDerWaalsContact N-OD1 3.09Å; Q91-E125 HydrophobicContact CB-CG 4.48Å; Q91-E125 HydrophobicContact CG-CG 4.4Å; Q91-F126 VanDerWaalsContact NE2-CE2 3.28Å; Q91-F126 VanDerWaalsContact OE1-CE2 3.25Å |
| 92 | T | 95 | Very high | 90 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52.3 | -46.5 | 173.4 | -53 | 0 | 0 | 0 | 0 | 111.7 | C90 D95 E96 N124 E125 A144 A147 | C90-T92 PolarHBondContact O-N 2.83Å; T92-D95 PolarHBondContact O-N 3Å; T92-E96 WeakPolarHBondContact O-CG 3.33Å; T92-E96 PolarHBondContact O-N 2.88Å; T92-N124 PolarHBondContact N-OD1 3.49Å; T92-N124 VanDerWaalsContact N-OD1 3.14Å; T92-N124 PolarHBondContact OG1-ND2 3.06Å; T92-N124 PolarHBondContact OG1-OD1 2.85Å; T92-E125 PolarHBondContact OG1-OE1 3.45Å; T92-A144 HydrophobicContact CG2-CB 3.67Å; T92-A147 HydrophobicContact CG2-CB 4.17Å |
| 93 | T | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | V72 V89 C90 Q91 D95 E96 V97 I148 | V72-T93 HydrophobicContact CB-CG2 4.19Å; V72-T93 HydrophobicContact CG2-CG2 3.8Å; V89-T93 HydrophobicContact CG1-CG2 4.12Å; C90-T93 WeakPolarHBondContact O-CA 3.27Å; C90-T93 VanDerWaalsContact O-CB 3.31Å; C90-T93 WeakPolarHBondContact O-CB 3.42Å; C90-T93 PolarHBondContact O-N 3.14Å; Q91-T93 VanDerWaalsContact C-N 3.27Å; Q91-T93 PolarHBondContact O-N 2.95Å; T93-D95 VanDerWaalsContact C-N 3.34Å; T93-D95 PolarHBondContact O-N 3.41Å; T93-E96 PolarHBondContact O-N 3.09Å; T93-V97 HydrophobicContact CG2-CG2 4.13Å; T93-V97 WeakPolarHBondContact O-CB 3.49Å; T93-V97 WeakPolarHBondContact O-CG2 3.44Å; T93-V97 PolarHBondContact O-N 3.42Å; T93-I148 WeakPolarHBondContact OG1-CD1 3.48Å |
| 94 | V | 94.2 | Very high | 89.3 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 178.9 | 177.1 | 0 | 0 | 0 | 0 | 112.1 | V89 C90 Q91 K98 Y105 L108 L112 L121 | V89-V94 HydrophobicContact CG1-CG2 3.69Å; C90-V94 PolarHBondContact O-N 3.46Å; C90-V94 VanDerWaalsContact O-N 3.11Å; Q91-V94 PolarHBondContact O-N 3.48Å; Q91-V94 VanDerWaalsContact O-N 3.15Å; V94-K98 WeakPolarHBondContact O-CB 3.36Å; V94-K98 PolarHBondContact O-N 3.05Å; V94-Y105 HydrophobicContact CG1-CD2 4.14Å; V94-Y105 HydrophobicContact CG1-CE2 3.58Å; V94-L108 HydrophobicContact CG2-CD2 3.98Å; V94-L112 HydrophobicContact CG2-CD1 4.22Å; V94-L121 HydrophobicContact CB-CD1 4.46Å; V94-L121 HydrophobicContact CG2-CD1 3.64Å |
| 95 | D | 91.4 | Very high | 89.2 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.7 | -36.8 | -179.2 | -78.8 | -21.3 | 0 | 0 | 0 | 112.2 | Q91 T92 T93 K99 | Q91-D95 PolarHBondContact NE2-OD2 3Å; Q91-D95 WeakPolarHBondContact O-CB 3.26Å; Q91-D95 PolarHBondContact O-N 3.23Å; T92-D95 PolarHBondContact O-N 3Å; T93-D95 VanDerWaalsContact C-N 3.34Å; T93-D95 PolarHBondContact O-N 3.41Å; D95-K99 WeakPolarHBondContact O-CE 3.14Å; D95-K99 VanDerWaalsContact O-CG 3.29Å; D95-K99 WeakPolarHBondContact O-CG 3.38Å; D95-K99 PolarHBondContact O-N 3.4Å |
| 96 | E | 91.4 | Very high | 88.8 | Confident | 31 Ų | 31 | 44 Ų | 44 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.6 | -41.9 | 175.2 | -73.9 | -56.7 | 127.5 | 0 | 0 | 112.1 | T69 T92 T93 K98 K99 R100 A144 | T69-E96 HydrophobicContact CG2-CB 3.6Å; T69-E96 HydrophobicContact CG2-CG 4.48Å; T92-E96 WeakPolarHBondContact O-CG 3.33Å; T92-E96 PolarHBondContact O-N 2.88Å; T93-E96 PolarHBondContact O-N 3.09Å; E96-K98 VanDerWaalsContact C-N 3.29Å; E96-K98 PolarHBondContact O-N 3.17Å; E96-K99 PolarHBondContact O-N 2.78Å; E96-K99 VanDerWaalsContact O-N 3.1Å; E96-K99 IonicContact OE1-NZ 3.09Å; E96-K99 PolarHBondContact OE1-NZ 3.18Å; E96-R100 WeakPolarHBondContact O-CB 3.44Å; E96-R100 WeakPolarHBondContact O-CG 3.43Å; E96-R100 PolarHBondContact O-N 3.5Å; E96-A144 HydrophobicContact CG-CB 4.44Å |
| 97 | V | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 174.1 | 173.6 | 0 | 0 | 0 | 0 | 110 | V72 L73 T93 K99 R100 S101 L108 | V72-V97 HydrophobicContact CB-CG2 4.08Å; V72-V97 HydrophobicContact CG1-CG1 4.45Å; V72-V97 HydrophobicContact CG1-CG2 3.69Å; L73-V97 HydrophobicContact CD2-CB 4.37Å; L73-V97 HydrophobicContact CD2-CG1 4.15Å; L73-V97 HydrophobicContact CD2-CG2 4.13Å; L73-V97 HydrophobicContact CG-CG2 4.12Å; T93-V97 HydrophobicContact CG2-CG2 4.13Å; T93-V97 WeakPolarHBondContact O-CB 3.49Å; T93-V97 WeakPolarHBondContact O-CG2 3.44Å; T93-V97 PolarHBondContact O-N 3.42Å; V97-K99 VanDerWaalsContact C-N 3.27Å; V97-K99 PolarHBondContact O-N 3.39Å; V97-R100 PolarHBondContact O-N 3.33Å; V97-S101 CarbonylContact O-C 3.49Å; V97-S101 PolarHBondContact O-N 3.32Å; V97-S101 VanDerWaalsContact O-O 3.05Å; V97-L108 HydrophobicContact CG1-CD2 4.41Å |
| 98 | K | 88 | Confident | 88.6 | Confident | 116 Ų | 116 | 46.2 Ų | 46.2 | 50% | 0.504 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57 | -37.9 | 175.5 | -172.6 | 176.4 | -179.2 | 174 | 0 | 113.5 | V94 E96 Y105 | V94-K98 WeakPolarHBondContact O-CB 3.36Å; V94-K98 PolarHBondContact O-N 3.05Å; E96-K98 VanDerWaalsContact C-N 3.29Å; E96-K98 PolarHBondContact O-N 3.17Å; K98-Y105 HydrophobicContact CB-CD1 4.41Å; K98-Y105 HydrophobicContact CB-CD2 3.59Å; K98-Y105 HydrophobicContact CB-CE2 3.88Å; K98-Y105 HydrophobicContact CB-CG 3.87Å; K98-Y105 HydrophobicContact CD-CD2 4.48Å; K98-Y105 HydrophobicContact CD-CE1 4.08Å; K98-Y105 HydrophobicContact CD-CE2 4.01Å; K98-Y105 HydrophobicContact CG-CD1 4.06Å; K98-Y105 HydrophobicContact CG-CD2 4.07Å; K98-Y105 HydrophobicContact CG-CE1 4.11Å; K98-Y105 HydrophobicContact CG-CE2 4.12Å; K98-Y105 HydrophobicContact CG-CG 4.04Å |
| 99 | K | 80.7 | Confident | 88.3 | Confident | 147 Ų | 147 | 52.6 Ų | 52.6 | 64% | 0.639 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -77 | -34.3 | 179.4 | -68.8 | 168.9 | -155.3 | 161.2 | 0 | 112.5 | D95 E96 V97 | D95-K99 WeakPolarHBondContact O-CE 3.14Å; D95-K99 VanDerWaalsContact O-CG 3.29Å; D95-K99 WeakPolarHBondContact O-CG 3.38Å; D95-K99 PolarHBondContact O-N 3.4Å; E96-K99 PolarHBondContact O-N 2.78Å; E96-K99 VanDerWaalsContact O-N 3.1Å; E96-K99 IonicContact OE1-NZ 3.09Å; E96-K99 PolarHBondContact OE1-NZ 3.18Å; V97-K99 VanDerWaalsContact C-N 3.27Å; V97-K99 PolarHBondContact O-N 3.39Å |
| 100 | R | 80.5 | Confident | 87.9 | Confident | 143 Ų | 143 | 58.6 Ų | 58.6 | 54% | 0.54 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -93.7 | -34.8 | -171.5 | -68.5 | -178.6 | 62.9 | -172.1 | -3.4 | 113.6 | L73 E96 V97 | L73-R100 HydrophobicContact CD1-CB 4.08Å; L73-R100 VanDerWaalsContact CD1-NH1 3.3Å; L73-R100 HydrophobicContact CD2-CB 4.14Å; E96-R100 WeakPolarHBondContact O-CB 3.44Å; E96-R100 WeakPolarHBondContact O-CG 3.43Å; E96-R100 PolarHBondContact O-N 3.5Å; V97-R100 PolarHBondContact O-N 3.33Å |
| 101 | S | 80.7 | Confident | 87.6 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | trans | -148.6 | 99.7 | -177.5 | 179.9 | 0 | 0 | 0 | 0 | 111 | V97 P103 S104 Y105 | V97-S101 CarbonylContact O-C 3.49Å; V97-S101 PolarHBondContact O-N 3.32Å; V97-S101 VanDerWaalsContact O-O 3.05Å; S101-P103 VanDerWaalsContact C-CD 3.5Å; S101-P103 VanDerWaalsContact C-N 3.33Å; S101-S104 WeakPolarHBondContact CB-OG 3.4Å; S101-S104 PolarHBondContact O-N 2.93Å; S101-S104 WeakPolarHBondContact OG-CB 3.27Å; S101-S104 PolarHBondContact OG-N 2.75Å; S101-S104 VanDerWaalsContact OG-N 3.15Å; S101-S104 PolarHBondContact OG-OG 3.45Å; S101-Y105 WeakPolarHBondContact O-CB 3.32Å; S101-Y105 PolarHBondContact O-N 2.92Å | ||
| 102 | S | 74.2 | Confident | 87.4 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 113.3 | K106 | S102-K106 WeakPolarHBondContact O-CG 3.36Å; S102-K106 PolarHBondContact O-N 3.12Å; S102-K106 VanDerWaalsContact O-N 3.14Å |
| 103 | P | 76.1 | Confident | 87 | Confident | 86 Ų | 86 | 63 Ų | 63 | 56% | 0.558 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.4 | -51.3 | 173.9 | -25.3 | 35.4 | 0 | 0 | 0 | 113.2 | S101 Y105 K106 R107 | S101-P103 VanDerWaalsContact C-CD 3.5Å; S101-P103 VanDerWaalsContact C-N 3.33Å; P103-Y105 PolarHBondContact O-N 3.22Å; P103-K106 PolarHBondContact O-N 3.41Å; P103-K106 VanDerWaalsContact O-N 3.08Å; P103-R107 PolarHBondContact O-N 3.27Å; P103-R107 VanDerWaalsContact O-N 3.09Å |
| 104 | S | 82.8 | Confident | 86.4 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -34.3 | 178.9 | -48.4 | 0 | 0 | 0 | 0 | 111.4 | S101 R107 L108 | S101-S104 WeakPolarHBondContact CB-OG 3.4Å; S101-S104 PolarHBondContact O-N 2.93Å; S101-S104 WeakPolarHBondContact OG-CB 3.27Å; S101-S104 PolarHBondContact OG-N 2.75Å; S101-S104 VanDerWaalsContact OG-N 3.15Å; S101-S104 PolarHBondContact OG-OG 3.45Å; S104-R107 PolarHBondContact O-N 3.33Å; S104-L108 VanDerWaalsContact O-CB 3.27Å; S104-L108 WeakPolarHBondContact O-CB 3.31Å; S104-L108 PolarHBondContact O-N 3.38Å |
| 105 | Y | 88.6 | Confident | 85.9 | Confident | 42 Ų | 42 | 70.8 Ų | 70.8 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 173.8 | 176.2 | -107.7 | 0 | 0 | 0 | 113 | V94 K98 S101 P103 L108 R109 | V94-Y105 HydrophobicContact CG1-CD2 4.14Å; V94-Y105 HydrophobicContact CG1-CE2 3.58Å; K98-Y105 HydrophobicContact CB-CD1 4.41Å; K98-Y105 HydrophobicContact CB-CD2 3.59Å; K98-Y105 HydrophobicContact CB-CE2 3.88Å; K98-Y105 HydrophobicContact CB-CG 3.87Å; K98-Y105 HydrophobicContact CD-CD2 4.48Å; K98-Y105 HydrophobicContact CD-CE1 4.08Å; K98-Y105 HydrophobicContact CD-CE2 4.01Å; K98-Y105 HydrophobicContact CG-CD1 4.06Å; K98-Y105 HydrophobicContact CG-CD2 4.07Å; K98-Y105 HydrophobicContact CG-CE1 4.11Å; K98-Y105 HydrophobicContact CG-CE2 4.12Å; K98-Y105 HydrophobicContact CG-CG 4.04Å; S101-Y105 WeakPolarHBondContact O-CB 3.32Å; S101-Y105 PolarHBondContact O-N 2.92Å; P103-Y105 PolarHBondContact O-N 3.22Å; Y105-L108 PolarHBondContact O-N 2.83Å; Y105-R109 HydrophobicContact CD1-CG 4.44Å; Y105-R109 HydrophobicContact CD2-CG 4.26Å; Y105-R109 HydrophobicContact CE1-CG 4.06Å; Y105-R109 HydrophobicContact CE2-CG 3.86Å; Y105-R109 WeakPolarHBondContact O-CB 3.47Å; Y105-R109 WeakPolarHBondContact O-CG 3.46Å; Y105-R109 PolarHBondContact O-N 2.95Å; Y105-R109 PolarHBondContact OH-NE 2.85Å |
| 106 | K | 83.2 | Confident | 85.5 | Confident | 142 Ų | 142 | 73.7 Ų | 73.7 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 176.7 | -73.2 | -179.3 | -178.9 | -174.3 | 0 | 110.6 | S102 P103 L108 R109 L110 | S102-K106 WeakPolarHBondContact O-CG 3.36Å; S102-K106 PolarHBondContact O-N 3.12Å; S102-K106 VanDerWaalsContact O-N 3.14Å; P103-K106 PolarHBondContact O-N 3.41Å; P103-K106 VanDerWaalsContact O-N 3.08Å; K106-L108 PolarHBondContact O-N 3.21Å; K106-R109 WeakPolarHBondContact O-CB 3.41Å; K106-R109 PolarHBondContact O-N 3Å; K106-L110 PolarHBondContact O-N 2.84Å; K106-L110 VanDerWaalsContact O-N 3.07Å |
| 107 | R | 90.6 | Very high | 85.3 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 22% | 0.219 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 176 | -68.5 | 173.4 | 69.2 | 177.2 | 6.5 | 111.8 | M76 D77 E80 P103 S104 R109 L110 L111 | M76-R107 VanDerWaalsContact CE-C 3.48Å; M76-R107 HydrophobicContact CE-CB 3.57Å; M76-R107 HydrophobicContact CG-CB 4.09Å; D77-R107 IonicContact OD1-CZ 3.96Å; D77-R107 VanDerWaalsContact OD1-CZ 3.23Å; D77-R107 IonicContact OD1-NH1 3.3Å; D77-R107 PolarHBondContact OD1-NH1 2.65Å; D77-R107 IonicContact OD1-NH2 3.46Å; D77-R107 PolarHBondContact OD1-NH2 3.21Å; D77-R107 IonicContact OD2-NH1 3.44Å; E80-R107 WeakPolarHBondContact OE1-CB 3.45Å; E80-R107 WeakPolarHBondContact OE1-CG 3.41Å; E80-R107 IonicContact OE1-CZ 2.93Å; E80-R107 IonicContact OE1-NE 3.32Å; E80-R107 PolarHBondContact OE1-NE 3.22Å; E80-R107 IonicContact OE1-NH2 2.85Å; E80-R107 PolarHBondContact OE1-NH2 2.74Å; E80-R107 IonicContact OE2-CZ 2.9Å; E80-R107 IonicContact OE2-NE 2.69Å; E80-R107 IonicContact OE2-NH2 3.59Å; E80-R107 PolarHBondContact OE2-NH2 3.48Å; P103-R107 PolarHBondContact O-N 3.27Å; P103-R107 VanDerWaalsContact O-N 3.09Å; S104-R107 PolarHBondContact O-N 3.33Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.11Å; R107-L110 WeakPolarHBondContact O-CB 3.37Å; R107-L110 PolarHBondContact O-N 3.48Å; R107-L110 VanDerWaalsContact O-N 3.08Å; R107-L111 PolarHBondContact O-N 2.99Å; R107-L111 VanDerWaalsContact O-N 3.09Å |
| 108 | L | 92.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 178.4 | -177.2 | 64.4 | 0 | 0 | 0 | 112.2 | V72 M76 V89 V94 V97 S104 Y105 K106 L111 L112 | V72-L108 HydrophobicContact CG1-CD1 4.16Å; V72-L108 HydrophobicContact CG1-CD2 3.94Å; M76-L108 VanDerWaalsContact CE-CA 3.48Å; M76-L108 HydrophobicContact CE-CB 3.91Å; M76-L108 HydrophobicContact CE-CD1 4.39Å; V89-L108 HydrophobicContact CG1-CD1 4.33Å; V89-L108 HydrophobicContact CG1-CD2 4.23Å; V89-L108 HydrophobicContact CG2-CD1 4.23Å; V94-L108 HydrophobicContact CG2-CD2 3.98Å; V97-L108 HydrophobicContact CG1-CD2 4.41Å; S104-L108 VanDerWaalsContact O-CB 3.27Å; S104-L108 WeakPolarHBondContact O-CB 3.31Å; S104-L108 PolarHBondContact O-N 3.38Å; Y105-L108 PolarHBondContact O-N 2.83Å; K106-L108 PolarHBondContact O-N 3.21Å; L108-L111 PolarHBondContact O-N 2.79Å; L108-L112 HydrophobicContact CG-CD1 4.16Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 WeakPolarHBondContact O-CG 3.12Å; L108-L112 PolarHBondContact O-N 3.02Å |
| 109 | R | 90.7 | Very high | 85.6 | Confident | 135 Ų | 135 | 71.8 Ų | 71.8 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 175.9 | -73 | -79.4 | -95.1 | 148.4 | -2.9 | 112.3 | Y105 K106 R107 A113 | Y105-R109 HydrophobicContact CD1-CG 4.44Å; Y105-R109 HydrophobicContact CD2-CG 4.26Å; Y105-R109 HydrophobicContact CE1-CG 4.06Å; Y105-R109 HydrophobicContact CE2-CG 3.86Å; Y105-R109 WeakPolarHBondContact O-CB 3.47Å; Y105-R109 WeakPolarHBondContact O-CG 3.46Å; Y105-R109 PolarHBondContact O-N 2.95Å; Y105-R109 PolarHBondContact OH-NE 2.85Å; K106-R109 WeakPolarHBondContact O-CB 3.41Å; K106-R109 PolarHBondContact O-N 3Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.11Å; R109-A113 VanDerWaalsContact O-CB 3.24Å; R109-A113 WeakPolarHBondContact O-CB 3.43Å; R109-A113 PolarHBondContact O-N 2.71Å |
| 110 | L | 88.3 | Confident | 86.2 | Confident | 126 Ų | 126 | 65 Ų | 65 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 173.5 | -68.4 | 171.7 | 0 | 0 | 0 | 111 | K106 R107 L112 A113 N114 | K106-L110 PolarHBondContact O-N 2.84Å; K106-L110 VanDerWaalsContact O-N 3.07Å; R107-L110 WeakPolarHBondContact O-CB 3.37Å; R107-L110 PolarHBondContact O-N 3.48Å; R107-L110 VanDerWaalsContact O-N 3.08Å; L110-L112 PolarHBondContact O-N 2.86Å; L110-A113 PolarHBondContact O-N 2.69Å; L110-N114 PolarHBondContact O-N 3.23Å; L110-N114 VanDerWaalsContact O-N 3.13Å |
| 111 | L | 90.4 | Very high | 86.8 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 174.6 | -69.3 | 179.2 | 0 | 0 | 0 | 112.2 | M76 E80 R107 L108 A113 N114 R117 F119 | M76-L111 HydrophobicContact CE-CD1 3.57Å; M76-L111 HydrophobicContact CE-CG 4.39Å; E80-L111 HydrophobicContact CG-CD1 4.09Å; E80-L111 HydrophobicContact CG-CD2 4.26Å; E80-L111 HydrophobicContact CG-CG 4.39Å; R107-L111 PolarHBondContact O-N 2.99Å; R107-L111 VanDerWaalsContact O-N 3.09Å; L108-L111 PolarHBondContact O-N 2.79Å; L111-A113 PolarHBondContact O-N 2.89Å; L111-N114 PolarHBondContact O-N 2.91Å; L111-R117 HydrophobicContact CD2-CG 4.21Å; L111-F119 HydrophobicContact CB-CD1 4.12Å; L111-F119 HydrophobicContact CB-CE1 4.36Å; L111-F119 HydrophobicContact CB-CG 4.22Å; L111-F119 HydrophobicContact CD1-CD1 4.45Å; L111-F119 HydrophobicContact CD1-CE1 3.89Å; L111-F119 HydrophobicContact CD1-CZ 4Å |
| 112 | L | 90.8 | Very high | 87.4 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -23.3 | 177.3 | -74.9 | 168.5 | 0 | 0 | 0 | 113.8 | V89 V94 L108 L110 F119 L121 | V89-L112 HydrophobicContact CB-CD2 4.47Å; V89-L112 HydrophobicContact CG2-CD2 4.43Å; V94-L112 HydrophobicContact CG2-CD1 4.22Å; L108-L112 HydrophobicContact CG-CD1 4.16Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 WeakPolarHBondContact O-CG 3.12Å; L108-L112 PolarHBondContact O-N 3.02Å; L110-L112 PolarHBondContact O-N 2.86Å; L112-F119 HydrophobicContact CD2-CB 3.96Å; L112-L121 HydrophobicContact CD1-CB 4.45Å; L112-L121 HydrophobicContact CD2-CB 3.97Å |
| 113 | A | 85.5 | Confident | 88.3 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 63% | 0.628 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -88.9 | -17.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R109 L110 L111 P115 | R109-A113 VanDerWaalsContact O-CB 3.24Å; R109-A113 WeakPolarHBondContact O-CB 3.43Å; R109-A113 PolarHBondContact O-N 2.71Å; L110-A113 PolarHBondContact O-N 2.69Å; L111-A113 PolarHBondContact O-N 2.89Å; A113-P115 WeakPolarHBondContact O-CD 3.24Å |
| 114 | N | 83.8 | Confident | 89.2 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 35% | 0.353 | 28% | 0.281 | S | S | . | . | trans | -90.1 | 111.4 | -179.1 | -174 | -19.4 | 0 | 0 | 0 | 110.7 | L110 L111 D116 R117 | L110-N114 PolarHBondContact O-N 3.23Å; L110-N114 VanDerWaalsContact O-N 3.13Å; L111-N114 PolarHBondContact O-N 2.91Å; N114-D116 VanDerWaalsContact C-N 3.28Å; N114-D116 PolarHBondContact O-N 3.11Å; N114-D116 WeakPolarHBondContact OD1-CB 3.43Å; N114-D116 PolarHBondContact OD1-N 2.96Å; N114-R117 HydrophobicContact CB-CB 4.32Å; N114-R117 HydrophobicContact CB-CG 3.75Å; N114-R117 PolarHBondContact O-N 3.12Å | ||
| 115 | P | 82.6 | Confident | 89.7 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 69% | 0.688 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -61.2 | -33.1 | 179.8 | -21.2 | 34.1 | 0 | 0 | 0 | 113.6 | A113 R117 R118 | A113-P115 WeakPolarHBondContact O-CD 3.24Å; P115-R117 PolarHBondContact O-N 3.17Å; P115-R118 PolarHBondContact O-N 2.69Å; P115-R118 VanDerWaalsContact O-N 3.08Å |
| 116 | D | 83.2 | Confident | 89.8 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 65% | 0.652 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -67.1 | -22.7 | -177.8 | -61.6 | -34 | 0 | 0 | 0 | 112.4 | N114 | N114-D116 VanDerWaalsContact C-N 3.28Å; N114-D116 PolarHBondContact O-N 3.11Å; N114-D116 WeakPolarHBondContact OD1-CB 3.43Å; N114-D116 PolarHBondContact OD1-N 2.96Å |
| 117 | R | 87.4 | Confident | 90.1 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -79.6 | -21.5 | 177 | -59.6 | -58.6 | -61 | -117.8 | -9.7 | 112.5 | L79 E80 D81 D82 L111 N114 P115 F119 | L79-R117 PolarHBondContact O-NH2 3.05Å; L79-R117 VanDerWaalsContact O-NH2 3.08Å; E80-R117 VanDerWaalsContact O-CZ 3.26Å; E80-R117 PolarHBondContact O-NH1 3.43Å; E80-R117 PolarHBondContact O-NH2 2.83Å; D81-R117 PolarHBondContact O-NH2 3.42Å; D82-R117 IonicContact OD1-CZ 3.47Å; D82-R117 IonicContact OD1-NE 2.97Å; D82-R117 IonicContact OD1-NH1 3.59Å; D82-R117 PolarHBondContact OD1-NH1 3.06Å; L111-R117 HydrophobicContact CD2-CG 4.21Å; N114-R117 HydrophobicContact CB-CB 4.32Å; N114-R117 HydrophobicContact CB-CG 3.75Å; N114-R117 PolarHBondContact O-N 3.12Å; P115-R117 PolarHBondContact O-N 3.17Å; R117-F119 HydrophobicContact CB-CD2 3.77Å; R117-F119 HydrophobicContact CB-CE2 4.26Å; R117-F119 VanDerWaalsContact O-CD2 3.31Å; R117-F119 WeakPolarHBondContact O-CD2 3.32Å; R117-F119 PolarHBondContact O-N 2.89Å |
| 118 | R | 90.8 | Very high | 90.1 | Very high | 75 Ų | 75 | 51.9 Ų | 51.9 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 39.6 | -178.4 | -55.1 | 179.2 | -178.8 | -170.4 | -4.7 | 112.8 | I46 D50 N86 V87 P115 | I46-R118 HydrophobicContact CG1-CB 4.47Å; I46-R118 WeakPolarHBondContact CG1-O 3.31Å; D50-R118 PolarHBondContact O-NH1 3.31Å; D50-R118 IonicContact OD2-CZ 3.97Å; D50-R118 IonicContact OD2-NH1 2.84Å; D50-R118 PolarHBondContact OD2-NH1 2.79Å; D50-R118 IonicContact OD2-NH2 2.8Å; D50-R118 PolarHBondContact OD2-NH2 3.4Å; N86-R118 WeakPolarHBondContact CA-O 3.3Å; N86-R118 PolarHBondContact N-O 2.86Å; N86-R118 VanDerWaalsContact OD1-CD 3.26Å; N86-R118 WeakPolarHBondContact OD1-CD 3.45Å; V87-R118 PolarHBondContact N-O 3.01Å; P115-R118 PolarHBondContact O-N 2.69Å; P115-R118 VanDerWaalsContact O-N 3.08Å |
| 119 | F | 93.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.7 | 170.2 | -82.9 | -121.8 | 0 | 0 | 0 | 109.1 | F84 V87 V89 L111 L112 R117 | F84-F119 WeakPolarHBondContact O-CE2 3.5Å; V87-F119 HydrophobicContact CB-CD1 3.79Å; V87-F119 HydrophobicContact CB-CD2 4.12Å; V87-F119 HydrophobicContact CB-CE1 3.75Å; V87-F119 HydrophobicContact CB-CE2 4.08Å; V87-F119 HydrophobicContact CB-CG 3.98Å; V87-F119 HydrophobicContact CB-CZ 3.9Å; V87-F119 HydrophobicContact CG1-CD1 3.94Å; V87-F119 HydrophobicContact CG1-CE1 3.73Å; V87-F119 HydrophobicContact CG1-CZ 4.25Å; V87-F119 HydrophobicContact CG2-CD1 4.44Å; V87-F119 HydrophobicContact CG2-CD2 4.25Å; V87-F119 HydrophobicContact CG2-CE1 3.97Å; V87-F119 HydrophobicContact CG2-CE2 3.76Å; V87-F119 HydrophobicContact CG2-CZ 3.61Å; V87-F119 CarbonylContact O-C 3.57Å; V87-F119 WeakPolarHBondContact O-CA 3.28Å; V89-F119 HydrophobicContact CG2-CD1 4.05Å; L111-F119 HydrophobicContact CB-CD1 4.12Å; L111-F119 HydrophobicContact CB-CE1 4.36Å; L111-F119 HydrophobicContact CB-CG 4.22Å; L111-F119 HydrophobicContact CD1-CD1 4.45Å; L111-F119 HydrophobicContact CD1-CE1 3.89Å; L111-F119 HydrophobicContact CD1-CZ 4Å; L112-F119 HydrophobicContact CD2-CB 3.96Å; R117-F119 HydrophobicContact CB-CD2 3.77Å; R117-F119 HydrophobicContact CB-CE2 4.26Å; R117-F119 VanDerWaalsContact O-CD2 3.31Å; R117-F119 WeakPolarHBondContact O-CD2 3.32Å; R117-F119 PolarHBondContact O-N 2.89Å |
| 120 | C | 92.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.7 | -178.2 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | I46 V87 V89 | I46-C120 HydrophobicContact CD1-CB 3.64Å; I46-C120 HydrophobicContact CG1-CB 4.06Å; V87-C120 PolarHBondContact O-N 3.49Å; V89-C120 PolarHBondContact N-O 2.86Å |
| 121 | L | 93.3 | Very high | 90.5 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 115.9 | 169.8 | 176.4 | 55.6 | 0 | 0 | 0 | 110.2 | V89 Q91 V94 L112 Y123 | V89-L121 WeakPolarHBondContact O-CA 3.34Å; V89-L121 WeakPolarHBondContact O-CD1 3.31Å; Q91-L121 HydrophobicContact CB-CD1 4.36Å; V94-L121 HydrophobicContact CB-CD1 4.46Å; V94-L121 HydrophobicContact CG2-CD1 3.64Å; L112-L121 HydrophobicContact CD1-CB 4.45Å; L112-L121 HydrophobicContact CD2-CB 3.97Å; L121-Y123 HydrophobicContact CD2-CE1 3.94Å; L121-Y123 HydrophobicContact CD2-CE2 4.2Å; L121-Y123 HydrophobicContact CG-CE1 4.39Å; L121-Y123 HydrophobicContact CG-CE2 4.16Å |
| 122 | F | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.9 | 173.5 | 179.2 | -119.3 | 0 | 0 | 0 | 111.6 | I29 I88 V89 C90 Q91 N124 N127 T130 A151 W154 Y155 | I29-F122 HydrophobicContact CG2-CE2 4.31Å; I88-F122 HydrophobicContact CG2-CB 3.85Å; V89-F122 PolarHBondContact O-N 2.9Å; C90-F122 CarbonylContact C-O 3.44Å; Q91-F122 PolarHBondContact N-O 3.22Å; F122-N124 HydrophobicContact CD1-CB 3.64Å; F122-N124 HydrophobicContact CE1-CB 3.56Å; F122-N124 PolarHBondContact O-N 3.01Å; F122-N127 HydrophobicContact CZ-CB 4.22Å; F122-T130 HydrophobicContact CE1-CG2 3.98Å; F122-T130 HydrophobicContact CZ-CG2 4.11Å; F122-A151 HydrophobicContact CD1-CB 4.36Å; F122-A151 HydrophobicContact CE1-CB 4.14Å; F122-W154 HydrophobicContact CE1-CE3 4.34Å; F122-W154 HydrophobicContact CE1-CZ3 4.42Å; F122-W154 HydrophobicContact CE2-CE3 4.47Å; F122-W154 HydrophobicContact CE2-CH2 4.11Å; F122-W154 AromaticContact CE2-CZ3 3.8Å; F122-W154 HydrophobicContact CE2-CZ3 3.8Å; F122-W154 AromaticContact CZ-CE3 3.85Å; F122-W154 HydrophobicContact CZ-CE3 3.85Å; F122-W154 HydrophobicContact CZ-CH2 4.15Å; F122-W154 AromaticContact CZ-CZ3 3.63Å; F122-W154 HydrophobicContact CZ-CZ3 3.63Å; F122-Y155 HydrophobicContact CB-CE2 4.3Å; F122-Y155 AromaticContact CD1-CE2 3.65Å; F122-Y155 HydrophobicContact CD1-CE2 3.65Å; F122-Y155 HydrophobicContact CD2-CE2 4.08Å; F122-Y155 WeakPolarHBondContact CD2-OH 3.43Å; F122-Y155 AromaticContact CE1-CE2 3.9Å; F122-Y155 HydrophobicContact CE1-CE2 3.9Å; F122-Y155 HydrophobicContact CE2-CE2 4.31Å; F122-Y155 AromaticContact CG-CE2 3.74Å; F122-Y155 HydrophobicContact CG-CE2 3.74Å; F122-Y155 WeakPolarHBondContact CG-OH 3.33Å; F122-Y155 HydrophobicContact CZ-CE2 4.22Å |
| 123 | Y | 93 | Very high | 90.4 | Very high | 111 Ų | 111 | 51.2 Ų | 51.2 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | trans | -80.3 | 59.3 | -177.8 | -66.2 | -86.8 | 0 | 0 | 0 | 112.9 | Q91 L121 E125 F126 N127 | Q91-Y123 HydrophobicContact CB-CD1 4.47Å; Q91-Y123 HydrophobicContact CG-CD1 4.42Å; L121-Y123 HydrophobicContact CD2-CE1 3.94Å; L121-Y123 HydrophobicContact CD2-CE2 4.2Å; L121-Y123 HydrophobicContact CG-CE1 4.39Å; L121-Y123 HydrophobicContact CG-CE2 4.16Å; Y123-E125 PolarHBondContact O-N 3.27Å; Y123-F126 HydrophobicContact CD1-CD2 4.26Å; Y123-F126 PolarHBondContact O-N 3.19Å; Y123-N127 PolarHBondContact O-N 3.38Å; Y123-N127 VanDerWaalsContact O-N 3.17Å | ||
| 124 | N | 94.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.1 | -177.5 | 70.7 | -46.7 | 0 | 0 | 0 | 113.9 | Q91 T92 F122 F126 T130 A151 | Q91-N124 PolarHBondContact N-OD1 2.91Å; Q91-N124 VanDerWaalsContact N-OD1 3.09Å; T92-N124 PolarHBondContact N-OD1 3.49Å; T92-N124 VanDerWaalsContact N-OD1 3.14Å; T92-N124 PolarHBondContact OG1-ND2 3.06Å; T92-N124 PolarHBondContact OG1-OD1 2.85Å; F122-N124 HydrophobicContact CD1-CB 3.64Å; F122-N124 HydrophobicContact CE1-CB 3.56Å; F122-N124 PolarHBondContact O-N 3.01Å; N124-F126 VanDerWaalsContact C-N 3.28Å; N124-F126 PolarHBondContact O-N 3.2Å; N124-T130 WeakPolarHBondContact CA-OG1 3.49Å; N124-T130 PolarHBondContact O-OG1 3.31Å; N124-A151 HydrophobicContact CB-CB 4.22Å |
| 125 | E | 92.1 | Very high | 90.6 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.1 | 176.8 | -65.4 | -75 | 168 | 0 | 0 | 113.1 | H23 L25 Q91 T92 Y123 Y131 R143 | H23-E125 PolarHBondContact NE2-O 2.93Å; L25-E125 WeakPolarHBondContact CD2-O 3.41Å; Q91-E125 HydrophobicContact CB-CG 4.48Å; Q91-E125 HydrophobicContact CG-CG 4.4Å; T92-E125 PolarHBondContact OG1-OE1 3.45Å; Y123-E125 PolarHBondContact O-N 3.27Å; E125-Y131 VanDerWaalsContact O-CD2 3.27Å; E125-Y131 WeakPolarHBondContact O-CD2 3.46Å; E125-R143 IonicContact OE1-CZ 3.75Å; E125-R143 VanDerWaalsContact OE1-CZ 3.32Å; E125-R143 IonicContact OE1-NH1 3.79Å; E125-R143 PolarHBondContact OE1-NH1 3.05Å; E125-R143 IonicContact OE1-NH2 3.04Å; E125-R143 PolarHBondContact OE1-NH2 3.04Å; E125-R143 IonicContact OE2-CZ 2.78Å; E125-R143 IonicContact OE2-NH1 3.91Å; E125-R143 PolarHBondContact OE2-NH1 3.47Å; E125-R143 IonicContact OE2-NH2 3.1Å; E125-R143 PolarHBondContact OE2-NH2 3.07Å |
| 126 | F | 90.8 | Very high | 90.6 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 32% | 0.32 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -11.8 | 178.3 | -63.4 | -68.7 | 0 | 0 | 0 | 113 | H23 L25 R26 I29 Q91 Y123 N124 | H23-F126 AromaticContact CE1-CD1 3.7Å; H23-F126 AromaticContact CE1-CE1 3.34Å; H23-F126 WeakPolarHBondContact CE1-CE1 3.35Å; H23-F126 AromaticContact NE2-CD1 3.62Å; H23-F126 AromaticContact NE2-CE1 3.77Å; L25-F126 WeakPolarHBondContact CA-O 3.4Å; R26-F126 PolarHBondContact N-O 3.29Å; I29-F126 HydrophobicContact CD1-CB 4.14Å; I29-F126 HydrophobicContact CG1-CB 4.39Å; Q91-F126 VanDerWaalsContact NE2-CE2 3.28Å; Q91-F126 VanDerWaalsContact OE1-CE2 3.25Å; Y123-F126 HydrophobicContact CD1-CD2 4.26Å; Y123-F126 PolarHBondContact O-N 3.19Å; N124-F126 VanDerWaalsContact C-N 3.28Å; N124-F126 PolarHBondContact O-N 3.2Å |
| 127 | N | 90.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 124 | 178.4 | -180 | -50.1 | 0 | 0 | 0 | 110.4 | R26 I29 F122 Y123 H129 T130 Y131 | R26-N127 CarbonylContact O-C 3.5Å; R26-N127 WeakPolarHBondContact O-CA 3.38Å; I29-N127 HydrophobicContact CB-CB 3.91Å; I29-N127 HydrophobicContact CG1-CB 4.01Å; I29-N127 HydrophobicContact CG2-CB 4.14Å; F122-N127 HydrophobicContact CZ-CB 4.22Å; Y123-N127 PolarHBondContact O-N 3.38Å; Y123-N127 VanDerWaalsContact O-N 3.17Å; N127-H129 PolarHBondContact O-N 2.99Å; N127-H129 WeakPolarHBondContact OD1-CB 3.41Å; N127-H129 PolarHBondContact OD1-N 3.07Å; N127-T130 WeakPolarHBondContact CB-OG1 3.5Å; N127-T130 PolarHBondContact O-N 3.21Å; N127-T130 PolarHBondContact OD1-N 3.18Å; N127-Y131 WeakPolarHBondContact O-CB 3.45Å; N127-Y131 PolarHBondContact O-N 3.27Å |
| 128 | M | 91 | Very high | 90.6 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -30.8 | -175.9 | -177.3 | 173.8 | 70.7 | 0 | 0 | 113.5 | M1 L25 R26 D27 | M1-M128 HydrophobicContact CB-SD 4.21Å; L25-M128 HydrophobicContact CB-CB 4.15Å; R26-M128 WeakPolarHBondContact O-CB 3.48Å; R26-M128 PolarHBondContact O-N 3.28Å; D27-M128 HydrophobicContact CB-CE 3.96Å |
| 129 | H | 91.7 | Very high | 90.2 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -17.9 | -176 | -57.9 | -69.2 | 0 | 0 | 0 | 113.5 | N127 K150 | N127-H129 PolarHBondContact O-N 2.99Å; N127-H129 WeakPolarHBondContact OD1-CB 3.41Å; N127-H129 PolarHBondContact OD1-N 3.07Å; H129-K150 WeakPolarHBondContact O-CE 3.11Å |
| 130 | T | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -11.5 | -176.5 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | F122 N124 N127 V132 A151 W154 | F122-T130 HydrophobicContact CE1-CG2 3.98Å; F122-T130 HydrophobicContact CZ-CG2 4.11Å; N124-T130 WeakPolarHBondContact CA-OG1 3.49Å; N124-T130 PolarHBondContact O-OG1 3.31Å; N127-T130 WeakPolarHBondContact CB-OG1 3.5Å; N127-T130 PolarHBondContact O-N 3.21Å; N127-T130 PolarHBondContact OD1-N 3.18Å; T130-V132 PolarHBondContact O-N 3.36Å; T130-A151 HydrophobicContact CG2-CB 4.38Å; T130-W154 HydrophobicContact CG2-CB 3.4Å; T130-W154 VanDerWaalsContact CG2-CB 3.4Å; T130-W154 HydrophobicContact CG2-CD2 3.83Å; T130-W154 HydrophobicContact CG2-CE3 4.24Å; T130-W154 HydrophobicContact CG2-CG 3.46Å; T130-W154 VanDerWaalsContact CG2-CG 3.46Å |
| 131 | Y | 92.6 | Very high | 89.2 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | trans | -63 | 129 | 176.3 | 177.9 | -99 | 0 | 0 | 0 | 112.6 | V3 H23 L25 E125 N127 K133 | V3-Y131 HydrophobicContact CB-CE1 4.39Å; V3-Y131 HydrophobicContact CG1-CE1 4.1Å; V3-Y131 HydrophobicContact CG2-CE1 4.27Å; H23-Y131 AromaticContact CD2-CE2 3.92Å; L25-Y131 HydrophobicContact CD1-CD1 3.69Å; L25-Y131 HydrophobicContact CD1-CE1 4.39Å; L25-Y131 HydrophobicContact CD1-CG 3.91Å; L25-Y131 HydrophobicContact CD2-CD1 4.11Å; L25-Y131 HydrophobicContact CD2-CD2 3.75Å; L25-Y131 HydrophobicContact CD2-CE2 4.4Å; L25-Y131 HydrophobicContact CD2-CG 3.56Å; L25-Y131 HydrophobicContact CG-CD1 4.49Å; L25-Y131 HydrophobicContact CG-CG 4.37Å; E125-Y131 VanDerWaalsContact O-CD2 3.27Å; E125-Y131 WeakPolarHBondContact O-CD2 3.46Å; N127-Y131 WeakPolarHBondContact O-CB 3.45Å; N127-Y131 PolarHBondContact O-N 3.27Å; Y131-K133 HydrophobicContact CE1-CB 4.43Å | ||
| 132 | V | 91.5 | Very high | 88.9 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | trans | -115.2 | 128.9 | 173.3 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | T130 R143 A147 K150 | T130-V132 PolarHBondContact O-N 3.36Å; V132-R143 PolarHBondContact O-NE 3.42Å; V132-R143 PolarHBondContact O-NH2 3.34Å; V132-A147 VanDerWaalsContact CG2-CA 3.46Å; V132-A147 HydrophobicContact CG2-CB 3.37Å; V132-K150 HydrophobicContact CG1-CB 3.8Å; V132-K150 HydrophobicContact CG1-CG 3.98Å | ||
| 133 | K | 87.5 | Confident | 88.8 | Confident | 142 Ų | 142 | 71.9 Ų | 71.9 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 138.2 | 170.5 | -167.7 | 177.1 | -178.2 | 179.3 | 0 | 109.7 | Y131 Q135 R146 | Y131-K133 HydrophobicContact CE1-CB 4.43Å; K133-Q135 PolarHBondContact O-N 3.05Å; K133-R146 PolarHBondContact O-NH2 3.4Å |
| 134 | R | 84.9 | Confident | 88.7 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 130.3 | 174.3 | -169.7 | 175.8 | 178.8 | -174.9 | -1.9 | 110.4 | E138 R143 | R134-E138 VanDerWaalsContact CA-OE2 3.26Å; R134-E138 WeakPolarHBondContact CA-OE2 3.29Å; R134-E138 HydrophobicContact CG-CB 4.26Å; R134-E138 WeakPolarHBondContact CG-OE2 3.31Å; R134-E138 PolarHBondContact NE-O 2.95Å; R134-E138 PolarHBondContact NH2-O 3.49Å; R134-R143 HydrophobicContact CB-CG 4.03Å; R134-R143 HydrophobicContact CG-CB 4.33Å; R134-R143 HydrophobicContact CG-CG 4.17Å |
| 135 | Q | 88.8 | Confident | 88.6 | Confident | 118 Ų | 118 | 67.9 Ų | 67.9 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 164.2 | 176.5 | -69.6 | 176 | 6.7 | 0 | 0 | 111.3 | K133 H137 E138 | K133-Q135 PolarHBondContact O-N 3.05Å; Q135-H137 PolarHBondContact O-N 3.4Å; Q135-E138 HydrophobicContact CB-CB 4.04Å; Q135-E138 PolarHBondContact N-OE2 3.46Å; Q135-E138 WeakPolarHBondContact O-CB 3.45Å; Q135-E138 PolarHBondContact O-N 3.27Å |
| 136 | K | 82.9 | Confident | 88.7 | Confident | 183 Ų | 183 | 70.8 Ų | 70.8 | 80% | 0.796 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 128 | 179.4 | -162.2 | -171.6 | 177.5 | -175.5 | 0 | 108.9 | E138 | K136-E138 PolarHBondContact O-N 3.41Š|
| 137 | H | 82.7 | Confident | 89 | Confident | 165 Ų | 165 | 67.4 Ų | 67.4 | 76% | 0.764 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 0.5 | -176.3 | -50.5 | -73.4 | 0 | 0 | 0 | 116.8 | Q135 | Q135-H137 PolarHBondContact O-N 3.4Š|
| 138 | E | 87.6 | Confident | 89.2 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 7% | 0.065 | 31% | 0.313 | C | S | . | . | trans | -68 | 133.7 | 175.6 | -174.3 | -176.8 | -140.1 | 0 | 0 | 110.8 | R134 Q135 K136 E142 R143 R146 | R134-E138 VanDerWaalsContact CA-OE2 3.26Å; R134-E138 WeakPolarHBondContact CA-OE2 3.29Å; R134-E138 HydrophobicContact CG-CB 4.26Å; R134-E138 WeakPolarHBondContact CG-OE2 3.31Å; R134-E138 PolarHBondContact NE-O 2.95Å; R134-E138 PolarHBondContact NH2-O 3.49Å; Q135-E138 HydrophobicContact CB-CB 4.04Å; Q135-E138 PolarHBondContact N-OE2 3.46Å; Q135-E138 WeakPolarHBondContact O-CB 3.45Å; Q135-E138 PolarHBondContact O-N 3.27Å; K136-E138 PolarHBondContact O-N 3.41Å; E138-E142 WeakPolarHBondContact CA-OE2 3.49Å; E138-E142 HydrophobicContact CG-CB 3.74Å; E138-R143 HydrophobicContact CG-CB 4.07Å; E138-R143 WeakPolarHBondContact OE1-CA 3.35Å; E138-R143 WeakPolarHBondContact OE2-CB 3.36Å; E138-R146 IonicContact OE1-CZ 3.84Å; E138-R146 IonicContact OE1-NE 2.75Å; E138-R146 PolarHBondContact OE1-NE 3.33Å; E138-R146 IonicContact OE1-NH2 3.33Å; E138-R146 PolarHBondContact OE1-NH2 2.94Å; E138-R146 IonicContact OE2-CZ 3.2Å; E138-R146 IonicContact OE2-NH2 3.69Å; E138-R146 PolarHBondContact OE2-NH2 3.49Å | ||
| 139 | L | 82.8 | Confident | 89.5 | Confident | 94 Ų | 94 | 64.6 Ų | 64.6 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | trans | -70 | 154.1 | 174 | -66.4 | 173 | 0 | 0 | 0 | 111 | T141 E142 R143 | L139-T141 PolarHBondContact O-N 2.96Å; L139-E142 HydrophobicContact CB-CB 4.4Å; L139-E142 HydrophobicContact CB-CG 4.01Å; L139-E142 PolarHBondContact N-OE2 3.48Å; L139-E142 PolarHBondContact O-N 3.49Å; L139-R143 PolarHBondContact O-N 2.94Å | ||
| 140 | P | 82.1 | Confident | 89.7 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.1 | -34.2 | 176.4 | -25 | 35.9 | 0 | 0 | 0 | 113.7 | A144 | P140-A144 PolarHBondContact O-N 2.81Å; P140-A144 VanDerWaalsContact O-N 3.09Å |
| 141 | T | 83.8 | Confident | 89.8 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.5 | -51.5 | 176.5 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | L139 R143 A144 D145 | L139-T141 PolarHBondContact O-N 2.96Å; T141-R143 PolarHBondContact O-N 3.34Å; T141-A144 WeakPolarHBondContact O-CA 3.39Å; T141-A144 VanDerWaalsContact O-CB 3.29Å; T141-A144 WeakPolarHBondContact O-CB 3.12Å; T141-A144 PolarHBondContact O-N 2.74Å; T141-D145 VanDerWaalsContact O-CG 3.29Å; T141-D145 PolarHBondContact O-N 2.98Å |
| 142 | E | 87.7 | Confident | 90 | Very high | 89 Ų | 89 | 61.9 Ų | 61.9 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.4 | -39.4 | 177.1 | -65 | 168.4 | 167.1 | 0 | 0 | 112.1 | E138 L139 A144 D145 R146 | E138-E142 WeakPolarHBondContact CA-OE2 3.49Å; E138-E142 HydrophobicContact CG-CB 3.74Å; L139-E142 HydrophobicContact CB-CB 4.4Å; L139-E142 HydrophobicContact CB-CG 4.01Å; L139-E142 PolarHBondContact N-OE2 3.48Å; L139-E142 PolarHBondContact O-N 3.49Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-D145 PolarHBondContact O-N 2.91Å; E142-R146 WeakPolarHBondContact O-CB 3.36Å; E142-R146 PolarHBondContact O-N 3.28Å |
| 143 | R | 92 | Very high | 90.3 | Very high | 28 Ų | 28 | 64 Ų | 64 | 11% | 0.106 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 174.7 | -174.8 | -96.6 | 179.7 | -179.8 | -7.3 | 112.1 | E125 V132 R134 E138 L139 T141 A147 | E125-R143 IonicContact OE1-CZ 3.75Å; E125-R143 VanDerWaalsContact OE1-CZ 3.32Å; E125-R143 IonicContact OE1-NH1 3.79Å; E125-R143 PolarHBondContact OE1-NH1 3.05Å; E125-R143 IonicContact OE1-NH2 3.04Å; E125-R143 PolarHBondContact OE1-NH2 3.04Å; E125-R143 IonicContact OE2-CZ 2.78Å; E125-R143 IonicContact OE2-NH1 3.91Å; E125-R143 PolarHBondContact OE2-NH1 3.47Å; E125-R143 IonicContact OE2-NH2 3.1Å; E125-R143 PolarHBondContact OE2-NH2 3.07Å; V132-R143 PolarHBondContact O-NE 3.42Å; V132-R143 PolarHBondContact O-NH2 3.34Å; R134-R143 HydrophobicContact CB-CG 4.03Å; R134-R143 HydrophobicContact CG-CB 4.33Å; R134-R143 HydrophobicContact CG-CG 4.17Å; E138-R143 HydrophobicContact CG-CB 4.07Å; E138-R143 WeakPolarHBondContact OE1-CA 3.35Å; E138-R143 WeakPolarHBondContact OE2-CB 3.36Å; L139-R143 PolarHBondContact O-N 2.94Å; T141-R143 PolarHBondContact O-N 3.34Å; R143-A147 WeakPolarHBondContact O-CB 3.39Å; R143-A147 PolarHBondContact O-N 3.45Å |
| 144 | A | 91.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | T92 E96 P140 T141 E142 R146 A147 I148 | T92-A144 HydrophobicContact CG2-CB 3.67Å; E96-A144 HydrophobicContact CG-CB 4.44Å; P140-A144 PolarHBondContact O-N 2.81Å; P140-A144 VanDerWaalsContact O-N 3.09Å; T141-A144 WeakPolarHBondContact O-CA 3.39Å; T141-A144 VanDerWaalsContact O-CB 3.29Å; T141-A144 WeakPolarHBondContact O-CB 3.12Å; T141-A144 PolarHBondContact O-N 2.74Å; E142-A144 VanDerWaalsContact C-N 3.33Å; A144-R146 VanDerWaalsContact C-N 3.32Å; A144-R146 PolarHBondContact O-N 2.81Å; A144-A147 WeakPolarHBondContact O-CA 3.45Å; A144-A147 VanDerWaalsContact O-CB 3.29Å; A144-A147 WeakPolarHBondContact O-CB 3.28Å; A144-A147 PolarHBondContact O-N 3.4Å; A144-I148 WeakPolarHBondContact O-CG1 3.44Å; A144-I148 PolarHBondContact O-N 2.8Å |
| 145 | D | 92.7 | Very high | 91.2 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.144 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 178.6 | -55.2 | -28.2 | 0 | 0 | 0 | 110.6 | T141 E142 A147 I148 L149 | T141-D145 VanDerWaalsContact O-CG 3.29Å; T141-D145 PolarHBondContact O-N 2.98Å; E142-D145 PolarHBondContact O-N 2.91Å; D145-A147 VanDerWaalsContact C-N 3.29Å; D145-A147 PolarHBondContact O-N 2.99Å; D145-I148 PolarHBondContact O-N 3.47Å; D145-I148 VanDerWaalsContact O-N 3.13Å; D145-L149 WeakPolarHBondContact O-CG 3.43Å; D145-L149 PolarHBondContact O-N 3.21Å |
| 146 | R | 94.4 | Very high | 91.5 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 27% | 0.268 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.3 | -32.9 | 174.9 | -169.2 | 162 | 58 | 86.8 | 5.4 | 113.3 | K133 E138 E142 A144 I148 K150 | K133-R146 PolarHBondContact O-NH2 3.4Å; E138-R146 IonicContact OE1-CZ 3.84Å; E138-R146 IonicContact OE1-NE 2.75Å; E138-R146 PolarHBondContact OE1-NE 3.33Å; E138-R146 IonicContact OE1-NH2 3.33Å; E138-R146 PolarHBondContact OE1-NH2 2.94Å; E138-R146 IonicContact OE2-CZ 3.2Å; E138-R146 IonicContact OE2-NH2 3.69Å; E138-R146 PolarHBondContact OE2-NH2 3.49Å; E142-R146 WeakPolarHBondContact O-CB 3.36Å; E142-R146 PolarHBondContact O-N 3.28Å; A144-R146 VanDerWaalsContact C-N 3.32Å; A144-R146 PolarHBondContact O-N 2.81Å; R146-I148 VanDerWaalsContact C-N 3.35Å; R146-K150 WeakPolarHBondContact O-CB 3.2Å; R146-K150 PolarHBondContact O-N 2.93Å |
| 147 | A | 95.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T92 V132 R143 A144 D145 K150 A151 | T92-A147 HydrophobicContact CG2-CB 4.17Å; V132-A147 VanDerWaalsContact CG2-CA 3.46Å; V132-A147 HydrophobicContact CG2-CB 3.37Å; R143-A147 WeakPolarHBondContact O-CB 3.39Å; R143-A147 PolarHBondContact O-N 3.45Å; A144-A147 WeakPolarHBondContact O-CA 3.45Å; A144-A147 VanDerWaalsContact O-CB 3.29Å; A144-A147 WeakPolarHBondContact O-CB 3.28Å; A144-A147 PolarHBondContact O-N 3.4Å; D145-A147 VanDerWaalsContact C-N 3.29Å; D145-A147 PolarHBondContact O-N 2.99Å; A147-K150 PolarHBondContact O-N 3.45Å; A147-A151 WeakPolarHBondContact O-CB 3.44Å; A147-A151 PolarHBondContact O-N 2.96Å |
| 148 | I | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.1 | -45.5 | 179 | -64.3 | 167.4 | 0 | 0 | 0 | 109.7 | M66 D68 C90 T93 A144 D145 R146 K150 A151 M152 L170 | M66-I148 HydrophobicContact CG-CG2 4.26Å; M66-I148 HydrophobicContact SD-CG2 4.11Å; D68-I148 HydrophobicContact CB-CD1 4.41Å; C90-I148 HydrophobicContact CB-CG1 4.44Å; T93-I148 WeakPolarHBondContact OG1-CD1 3.48Å; A144-I148 WeakPolarHBondContact O-CG1 3.44Å; A144-I148 PolarHBondContact O-N 2.8Å; D145-I148 PolarHBondContact O-N 3.47Å; D145-I148 VanDerWaalsContact O-N 3.13Å; R146-I148 VanDerWaalsContact C-N 3.35Å; I148-K150 VanDerWaalsContact C-N 3.29Å; I148-K150 PolarHBondContact O-N 2.96Å; I148-A151 WeakPolarHBondContact O-CB 3.42Å; I148-A151 PolarHBondContact O-N 2.89Å; I148-A151 VanDerWaalsContact O-N 3.14Å; I148-M152 WeakPolarHBondContact O-CB 3.43Å; I148-M152 PolarHBondContact O-N 2.87Å; I148-L170 HydrophobicContact CG2-CD1 3.9Å |
| 149 | L | 96.7 | Very high | 92.9 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -39.1 | 173.4 | -67.5 | 179.1 | 0 | 0 | 0 | 112.3 | D145 M152 E153 L170 K180 A181 M184 | D145-L149 WeakPolarHBondContact O-CG 3.43Å; D145-L149 PolarHBondContact O-N 3.21Å; L149-M152 PolarHBondContact O-N 3.42Å; L149-E153 WeakPolarHBondContact O-CB 3.46Å; L149-E153 PolarHBondContact O-N 2.86Å; L149-L170 HydrophobicContact CD2-CD2 3.66Å; L149-K180 HydrophobicContact CD1-CB 3.86Å; L149-A181 HydrophobicContact CD2-CB 3.6Å; L149-M184 HydrophobicContact CB-CE 4.49Å; L149-M184 HydrophobicContact CB-SD 4.16Å; L149-M184 HydrophobicContact CD1-SD 4.23Å |
| 150 | K | 96.6 | Very high | 93.4 | Very high | 77 Ų | 77 | 37.7 Ų | 37.7 | 34% | 0.335 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 175.8 | -172 | 65.6 | -171 | 167 | 0 | 112.4 | H129 V132 R146 A147 I148 M152 E153 W154 | H129-K150 WeakPolarHBondContact O-CE 3.11Å; V132-K150 HydrophobicContact CG1-CB 3.8Å; V132-K150 HydrophobicContact CG1-CG 3.98Å; R146-K150 WeakPolarHBondContact O-CB 3.2Å; R146-K150 PolarHBondContact O-N 2.93Å; A147-K150 PolarHBondContact O-N 3.45Å; I148-K150 VanDerWaalsContact C-N 3.29Å; I148-K150 PolarHBondContact O-N 2.96Å; K150-M152 VanDerWaalsContact C-N 3.34Å; K150-E153 WeakPolarHBondContact CD-OE2 3.21Å; K150-E153 IonicContact NZ-OE2 3.77Å; K150-E153 PolarHBondContact NZ-OE2 2.69Å; K150-W154 WeakPolarHBondContact O-CB 2.96Å; K150-W154 PolarHBondContact O-N 3.09Å |
| 151 | A | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M66 F122 N124 T130 A147 I148 W154 Y155 | M66-A151 HydrophobicContact CE-CB 4.38Å; M66-A151 HydrophobicContact SD-CB 4.28Å; F122-A151 HydrophobicContact CD1-CB 4.36Å; F122-A151 HydrophobicContact CE1-CB 4.14Å; N124-A151 HydrophobicContact CB-CB 4.22Å; T130-A151 HydrophobicContact CG2-CB 4.38Å; A147-A151 WeakPolarHBondContact O-CB 3.44Å; A147-A151 PolarHBondContact O-N 2.96Å; I148-A151 WeakPolarHBondContact O-CB 3.42Å; I148-A151 PolarHBondContact O-N 2.89Å; I148-A151 VanDerWaalsContact O-N 3.14Å; A151-W154 WeakPolarHBondContact O-CB 3.21Å; A151-W154 PolarHBondContact O-N 3.3Å; A151-Y155 WeakPolarHBondContact O-CD2 3.44Å; A151-Y155 PolarHBondContact O-N 2.78Å |
| 152 | M | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -48.6 | 177.2 | -169.5 | -160.8 | 178.2 | 0 | 0 | 112 | M66 I148 L149 K150 W154 Y155 A156 V168 L170 L186 L187 | M66-M152 HydrophobicContact SD-CB 3.87Å; M66-M152 HydrophobicContact SD-CG 4.49Å; I148-M152 WeakPolarHBondContact O-CB 3.43Å; I148-M152 PolarHBondContact O-N 2.87Å; L149-M152 PolarHBondContact O-N 3.42Å; K150-M152 VanDerWaalsContact C-N 3.34Å; M152-W154 PolarHBondContact O-N 3.18Å; M152-Y155 PolarHBondContact O-N 3.05Å; M152-Y155 VanDerWaalsContact O-N 3.15Å; M152-A156 PolarHBondContact O-N 3.42Å; M152-V168 HydrophobicContact CG-CG1 4.34Å; M152-L170 HydrophobicContact CE-CB 3.75Å; M152-L170 HydrophobicContact SD-CB 3.53Å; M152-L170 VanDerWaalsContact SD-CB 3.53Å; M152-L170 HydrophobicContact SD-CD2 4.22Å; M152-L170 HydrophobicContact SD-CG 4.45Å; M152-L186 HydrophobicContact CB-CD1 4.3Å; M152-L186 HydrophobicContact CE-CB 3.54Å; M152-L186 HydrophobicContact CG-CD1 4.24Å; M152-L186 HydrophobicContact SD-CB 3.58Å; M152-L186 VanDerWaalsContact SD-CB 3.58Å; M152-L186 HydrophobicContact SD-CD1 3.65Å; M152-L186 HydrophobicContact SD-CG 4.12Å; M152-L187 WeakPolarHBondContact CE-O 3.29Å |
| 153 | E | 97.2 | Very high | 94.5 | Very high | 59 Ų | 59 | 36 Ų | 36 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56 | -42 | 173.9 | -178 | -170.4 | -147.1 | 0 | 0 | 111.2 | L149 K150 N157 M184 L186 | L149-E153 WeakPolarHBondContact O-CB 3.46Å; L149-E153 PolarHBondContact O-N 2.86Å; K150-E153 WeakPolarHBondContact CD-OE2 3.21Å; K150-E153 IonicContact NZ-OE2 3.77Å; K150-E153 PolarHBondContact NZ-OE2 2.69Å; E153-N157 PolarHBondContact O-N 3.08Å; E153-N157 PolarHBondContact O-ND2 3.14Å; E153-M184 HydrophobicContact CB-CE 4.17Å; E153-M184 HydrophobicContact CG-CE 4.5Å; E153-L186 HydrophobicContact CB-CD1 4.23Å; E153-L186 HydrophobicContact CB-CD2 4.29Å |
| 154 | W | 96 | Very high | 94.5 | Very high | 38 Ų | 38 | 36.1 Ų | 36.1 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 176.3 | -179.5 | 85.1 | 0 | 0 | 0 | 111.9 | C31 F122 T130 K150 A151 M152 A156 N157 H158 | C31-W154 HydrophobicContact CB-CH2 3.77Å; C31-W154 HydrophobicContact CB-CZ3 4.05Å; F122-W154 HydrophobicContact CE1-CE3 4.34Å; F122-W154 HydrophobicContact CE1-CZ3 4.42Å; F122-W154 HydrophobicContact CE2-CE3 4.47Å; F122-W154 HydrophobicContact CE2-CH2 4.11Å; F122-W154 AromaticContact CE2-CZ3 3.8Å; F122-W154 HydrophobicContact CE2-CZ3 3.8Å; F122-W154 AromaticContact CZ-CE3 3.85Å; F122-W154 HydrophobicContact CZ-CE3 3.85Å; F122-W154 HydrophobicContact CZ-CH2 4.15Å; F122-W154 AromaticContact CZ-CZ3 3.63Å; F122-W154 HydrophobicContact CZ-CZ3 3.63Å; T130-W154 HydrophobicContact CG2-CB 3.4Å; T130-W154 VanDerWaalsContact CG2-CB 3.4Å; T130-W154 HydrophobicContact CG2-CD2 3.83Å; T130-W154 HydrophobicContact CG2-CE3 4.24Å; T130-W154 HydrophobicContact CG2-CG 3.46Å; T130-W154 VanDerWaalsContact CG2-CG 3.46Å; K150-W154 WeakPolarHBondContact O-CB 2.96Å; K150-W154 PolarHBondContact O-N 3.09Å; A151-W154 WeakPolarHBondContact O-CB 3.21Å; A151-W154 PolarHBondContact O-N 3.3Å; M152-W154 PolarHBondContact O-N 3.18Å; W154-A156 PolarHBondContact O-N 3.33Å; W154-N157 PolarHBondContact O-N 3.24Å; W154-H158 HydrophobicContact CD2-CB 4.4Å; W154-H158 HydrophobicContact CE3-CB 4.4Å; W154-H158 AromaticContact CH2-CD2 3.9Å; W154-H158 AromaticContact CH2-CE1 3.88Å; W154-H158 AromaticContact CH2-CG 3.92Å; W154-H158 AromaticContact CH2-ND1 3.92Å; W154-H158 AromaticContact CH2-NE2 3.89Å; W154-H158 HydrophobicContact CZ2-CB 4.49Å; W154-H158 AromaticContact CZ2-CE1 3.76Å; W154-H158 AromaticContact CZ2-CG 3.96Å; W154-H158 AromaticContact CZ2-ND1 3.6Å; W154-H158 HydrophobicContact CZ3-CB 4.45Å; W154-H158 WeakPolarHBondContact O-CB 3.16Å; W154-H158 PolarHBondContact O-N 3Å |
| 155 | Y | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 176.9 | -95.8 | -85.1 | 0 | 0 | 0 | 112 | C31 L33 M66 I88 F122 A151 M152 N157 H158 L159 | C31-Y155 HydrophobicContact CB-CE1 4.38Å; C31-Y155 PolarHBondContact O-OH 3.04Å; L33-Y155 HydrophobicContact CD1-CD1 4.45Å; L33-Y155 HydrophobicContact CD1-CE1 4.13Å; L33-Y155 HydrophobicContact CG-CE1 4.34Å; M66-Y155 HydrophobicContact CE-CD2 3.54Å; M66-Y155 HydrophobicContact CE-CE2 3.95Å; M66-Y155 HydrophobicContact CE-CG 4.22Å; I88-Y155 HydrophobicContact CD1-CD1 3.72Å; I88-Y155 HydrophobicContact CD1-CD2 4.46Å; I88-Y155 HydrophobicContact CD1-CE1 3.47Å; I88-Y155 VanDerWaalsContact CD1-CE1 3.47Å; I88-Y155 HydrophobicContact CD1-CE2 4.24Å; I88-Y155 HydrophobicContact CD1-CG 4.21Å; I88-Y155 HydrophobicContact CG1-CE1 4.41Å; I88-Y155 HydrophobicContact CG2-CE2 3.97Å; F122-Y155 HydrophobicContact CB-CE2 4.3Å; F122-Y155 AromaticContact CD1-CE2 3.65Å; F122-Y155 HydrophobicContact CD1-CE2 3.65Å; F122-Y155 HydrophobicContact CD2-CE2 4.08Å; F122-Y155 WeakPolarHBondContact CD2-OH 3.43Å; F122-Y155 AromaticContact CE1-CE2 3.9Å; F122-Y155 HydrophobicContact CE1-CE2 3.9Å; F122-Y155 HydrophobicContact CE2-CE2 4.31Å; F122-Y155 AromaticContact CG-CE2 3.74Å; F122-Y155 HydrophobicContact CG-CE2 3.74Å; F122-Y155 WeakPolarHBondContact CG-OH 3.33Å; F122-Y155 HydrophobicContact CZ-CE2 4.22Å; A151-Y155 WeakPolarHBondContact O-CD2 3.44Å; A151-Y155 PolarHBondContact O-N 2.78Å; M152-Y155 PolarHBondContact O-N 3.05Å; M152-Y155 VanDerWaalsContact O-N 3.15Å; Y155-N157 VanDerWaalsContact C-N 3.34Å; Y155-N157 PolarHBondContact O-N 3.36Å; Y155-H158 PolarHBondContact O-N 3.22Å; Y155-H158 VanDerWaalsContact O-N 3.12Å; Y155-L159 WeakPolarHBondContact O-CB 3.44Å; Y155-L159 WeakPolarHBondContact O-CG 3.39Å; Y155-L159 PolarHBondContact O-N 3.1Å |
| 156 | A | 95.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 24% | 0.24 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.7 | -50.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | M152 W154 H158 T160 V168 L186 | M152-A156 PolarHBondContact O-N 3.42Å; W154-A156 PolarHBondContact O-N 3.33Å; A156-H158 PolarHBondContact O-N 2.96Å; A156-T160 PolarHBondContact O-N 2.95Å; A156-T160 PolarHBondContact O-OG1 3.03Å; A156-T160 VanDerWaalsContact O-OG1 3.1Å; A156-V168 HydrophobicContact CB-CG1 3.93Å; A156-L186 HydrophobicContact CB-CD2 4.15Å |
| 157 | N | 95.2 | Very high | 94.5 | Very high | 104 Ų | 104 | 39.2 Ų | 39.2 | 56% | 0.556 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.3 | -37.9 | 176.4 | -69.4 | -53.6 | 0 | 0 | 0 | 112.8 | E153 W154 Y155 A161 | E153-N157 PolarHBondContact O-N 3.08Å; E153-N157 PolarHBondContact O-ND2 3.14Å; W154-N157 PolarHBondContact O-N 3.24Å; Y155-N157 VanDerWaalsContact C-N 3.34Å; Y155-N157 PolarHBondContact O-N 3.36Å; N157-A161 WeakPolarHBondContact O-CB 3.21Å; N157-A161 PolarHBondContact O-N 3.13Å |
| 158 | H | 93.2 | Very high | 94.5 | Very high | 18 Ų | 18 | 39.5 Ų | 39.5 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.4 | -37.6 | -177.9 | -166.5 | 77.5 | 0 | 0 | 0 | 112.2 | C36 W154 Y155 A156 A161 N162 | C36-H158 PolarHBondContact SG-NE2 3.19Å; W154-H158 HydrophobicContact CD2-CB 4.4Å; W154-H158 HydrophobicContact CE3-CB 4.4Å; W154-H158 AromaticContact CH2-CD2 3.9Å; W154-H158 AromaticContact CH2-CE1 3.88Å; W154-H158 AromaticContact CH2-CG 3.92Å; W154-H158 AromaticContact CH2-ND1 3.92Å; W154-H158 AromaticContact CH2-NE2 3.89Å; W154-H158 HydrophobicContact CZ2-CB 4.49Å; W154-H158 AromaticContact CZ2-CE1 3.76Å; W154-H158 AromaticContact CZ2-CG 3.96Å; W154-H158 AromaticContact CZ2-ND1 3.6Å; W154-H158 HydrophobicContact CZ3-CB 4.45Å; W154-H158 WeakPolarHBondContact O-CB 3.16Å; W154-H158 PolarHBondContact O-N 3Å; Y155-H158 PolarHBondContact O-N 3.22Å; Y155-H158 VanDerWaalsContact O-N 3.12Å; A156-H158 PolarHBondContact O-N 2.96Å; H158-A161 PolarHBondContact O-N 2.8Å; H158-N162 PolarHBondContact CD2-ND2 3.12Å; H158-N162 PolarHBondContact NE2-ND2 2.64Å; H158-N162 PolarHBondContact O-N 2.93Å; H158-N162 VanDerWaalsContact O-N 3.13Å; H158-N162 PolarHBondContact O-ND2 3.47Å |
| 159 | L | 93.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 174.9 | -70.1 | 172.2 | 0 | 0 | 0 | 110.6 | L33 L64 Y155 A161 N162 D163 F164 V166 V168 | L33-L159 HydrophobicContact CD1-CD2 3.49Å; L33-L159 VanDerWaalsContact CD1-CD2 3.49Å; L64-L159 HydrophobicContact CD1-CD1 4.35Å; L64-L159 HydrophobicContact CD1-CD2 4.13Å; Y155-L159 WeakPolarHBondContact O-CB 3.44Å; Y155-L159 WeakPolarHBondContact O-CG 3.39Å; Y155-L159 PolarHBondContact O-N 3.1Å; L159-A161 PolarHBondContact O-N 3.46Å; L159-N162 PolarHBondContact O-N 3.23Å; L159-D163 PolarHBondContact O-N 3.47Å; L159-F164 HydrophobicContact CD2-CB 4.13Å; L159-F164 HydrophobicContact CD2-CD2 3.78Å; L159-F164 HydrophobicContact CD2-CG 4.39Å; L159-F164 PolarHBondContact O-N 3.04Å; L159-F164 VanDerWaalsContact O-N 3.13Å; L159-V166 HydrophobicContact CD2-CG2 4Å; L159-V168 HydrophobicContact CD1-CB 3.89Å; L159-V168 HydrophobicContact CD1-CG1 4.25Å |
| 160 | T | 93 | Very high | 94.6 | Very high | 105 Ų | 105 | 39 Ų | 39 | 64% | 0.644 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.7 | -44.9 | 175.5 | -50.4 | 0 | 0 | 0 | 0 | 111.7 | A156 N162 D163 | A156-T160 PolarHBondContact O-N 2.95Å; A156-T160 PolarHBondContact O-OG1 3.03Å; A156-T160 VanDerWaalsContact O-OG1 3.1Å; T160-N162 VanDerWaalsContact C-N 3.27Å; T160-N162 PolarHBondContact O-N 3.17Å; T160-D163 PolarHBondContact O-N 2.83Å; T160-D163 VanDerWaalsContact O-N 3.13Å |
| 161 | A | 93.5 | Very high | 94.6 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 43% | 0.43 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66 | -27 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F38 N157 H158 L159 D163 | F38-A161 HydrophobicContact CE2-CB 3.81Å; F38-A161 WeakPolarHBondContact CE2-O 3.4Å; F38-A161 HydrophobicContact CZ-CB 4.07Å; N157-A161 WeakPolarHBondContact O-CB 3.21Å; N157-A161 PolarHBondContact O-N 3.13Å; H158-A161 PolarHBondContact O-N 2.8Å; L159-A161 PolarHBondContact O-N 3.46Å; A161-D163 VanDerWaalsContact C-N 3.35Å |
| 162 | N | 91.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -84.1 | -9.7 | 176.5 | -82.4 | -78.4 | 0 | 0 | 0 | 113.3 | C36 K37 F38 H158 L159 T160 F164 | C36-N162 PolarHBondContact SG-OD1 2.86Å; K37-N162 PolarHBondContact N-OD1 3.34Å; K37-N162 PolarHBondContact NZ-O 3.16Å; F38-N162 WeakPolarHBondContact CD2-ND2 3.47Å; F38-N162 WeakPolarHBondContact CD2-OD1 3.45Å; H158-N162 PolarHBondContact CD2-ND2 3.12Å; H158-N162 PolarHBondContact NE2-ND2 2.64Å; H158-N162 PolarHBondContact O-N 2.93Å; H158-N162 VanDerWaalsContact O-N 3.13Å; H158-N162 PolarHBondContact O-ND2 3.47Å; L159-N162 PolarHBondContact O-N 3.23Å; T160-N162 VanDerWaalsContact C-N 3.27Å; T160-N162 PolarHBondContact O-N 3.17Å; N162-F164 VanDerWaalsContact C-N 3.31Å; N162-F164 HydrophobicContact CB-CD1 4.39Å; N162-F164 HydrophobicContact CB-CD2 3.31Å; N162-F164 HydrophobicContact CB-CE1 4.39Å; N162-F164 HydrophobicContact CB-CE2 3.32Å; N162-F164 HydrophobicContact CB-CG 3.89Å; N162-F164 HydrophobicContact CB-CZ 3.9Å; N162-F164 VanDerWaalsContact CG-CE2 3.48Å |
| 163 | D | 91.9 | Very high | 94.1 | Very high | 128 Ų | 128 | 36.7 Ų | 36.7 | 68% | 0.684 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 34.9 | -167.5 | -46.2 | -66.7 | 0 | 0 | 0 | 112.9 | K37 L159 T160 A161 | K37-D163 IonicContact NZ-OD2 2.84Å; K37-D163 PolarHBondContact NZ-OD2 3.07Å; L159-D163 PolarHBondContact O-N 3.47Å; T160-D163 PolarHBondContact O-N 2.83Å; T160-D163 VanDerWaalsContact O-N 3.13Å; A161-D163 VanDerWaalsContact C-N 3.35Å |
| 164 | F | 92.6 | Very high | 93.8 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 13% | 0.132 | 21% | 0.213 | C | C | . | . | trans | -75.8 | 138.5 | 176.8 | -71.8 | -46.7 | 0 | 0 | 0 | 111.4 | L33 C36 P48 L159 N162 V166 | L33-F164 HydrophobicContact CB-CE2 4.31Å; L33-F164 HydrophobicContact CD1-CD2 4.24Å; L33-F164 HydrophobicContact CD1-CE2 4.06Å; C36-F164 HydrophobicContact CB-CE2 4.35Å; C36-F164 HydrophobicContact CB-CZ 4.21Å; P48-F164 HydrophobicContact CB-CB 4.24Å; P48-F164 HydrophobicContact CB-CD1 3.9Å; P48-F164 HydrophobicContact CB-CD2 4.4Å; P48-F164 HydrophobicContact CB-CE1 4.32Å; P48-F164 HydrophobicContact CB-CG 3.95Å; P48-F164 HydrophobicContact CG-CD1 3.41Å; P48-F164 VanDerWaalsContact CG-CD1 3.41Å; P48-F164 HydrophobicContact CG-CD2 4.17Å; P48-F164 HydrophobicContact CG-CE1 3.35Å; P48-F164 HydrophobicContact CG-CE2 4.11Å; P48-F164 HydrophobicContact CG-CG 3.85Å; P48-F164 HydrophobicContact CG-CZ 3.71Å; L159-F164 HydrophobicContact CD2-CB 4.13Å; L159-F164 HydrophobicContact CD2-CD2 3.78Å; L159-F164 HydrophobicContact CD2-CG 4.39Å; L159-F164 PolarHBondContact O-N 3.04Å; L159-F164 VanDerWaalsContact O-N 3.13Å; N162-F164 VanDerWaalsContact C-N 3.31Å; N162-F164 HydrophobicContact CB-CD1 4.39Å; N162-F164 HydrophobicContact CB-CD2 3.31Å; N162-F164 HydrophobicContact CB-CE1 4.39Å; N162-F164 HydrophobicContact CB-CE2 3.32Å; N162-F164 HydrophobicContact CB-CG 3.89Å; N162-F164 HydrophobicContact CB-CZ 3.9Å; N162-F164 VanDerWaalsContact CG-CE2 3.48Å; F164-V166 HydrophobicContact CB-CG2 4.24Å; F164-V166 PolarHBondContact O-N 3.42Å | ||
| 165 | P | 90.8 | Very high | 93.5 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -82.9 | 36.4 | -175.6 | 36.8 | -38.1 | 0 | 0 | 0 | 112.7 | ||
| 166 | V | 93.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | trans | -142.6 | 148.7 | -176.1 | -63 | 0 | 0 | 0 | 0 | 112.1 | P48 V51 S62 L64 L159 F164 | P48-V166 HydrophobicContact CB-CG2 3.9Å; P48-V166 VanDerWaalsContact O-CG1 3.23Å; P48-V166 WeakPolarHBondContact O-CG1 3.39Å; V51-V166 HydrophobicContact CB-CG1 4.04Å; V51-V166 HydrophobicContact CG1-CG1 4.43Å; V51-V166 HydrophobicContact CG2-CG1 3.91Å; S62-V166 CarbonylContact O-C 3.6Å; S62-V166 WeakPolarHBondContact O-CA 3.31Å; S62-V166 WeakPolarHBondContact O-CB 3.45Å; L64-V166 HydrophobicContact CD1-CG2 4.46Å; L64-V166 HydrophobicContact CG-CG2 4.26Å; L159-V166 HydrophobicContact CD2-CG2 4Å; F164-V166 HydrophobicContact CB-CG2 4.24Å; F164-V166 PolarHBondContact O-N 3.42Å | ||
| 167 | D | 94.4 | Very high | 93.1 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 35% | 0.348 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 175.8 | 172.2 | -71.5 | -52.8 | 0 | 0 | 0 | 111.9 | T61 S62 H63 L64 L187 | T61-D167 WeakPolarHBondContact CB-OD2 3.39Å; T61-D167 PolarHBondContact OG1-OD2 3.02Å; S62-D167 PolarHBondContact O-N 3.37Å; H63-D167 CarbonylContact C-O 3.58Å; H63-D167 WeakPolarHBondContact CA-O 3.46Å; H63-D167 HydrophobicContact CB-CB 4.21Å; H63-D167 WeakPolarHBondContact CB-O 3.25Å; L64-D167 PolarHBondContact N-O 3.02Å; D167-L187 HydrophobicContact CB-CD1 4.03Å |
| 168 | V | 95.6 | Very high | 93 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135 | 170.6 | 64.3 | 0 | 0 | 0 | 0 | 110.3 | L64 M66 M152 A156 L159 | L64-V168 HydrophobicContact CB-CG2 4.46Å; L64-V168 WeakPolarHBondContact O-CA 3.21Å; M66-V168 HydrophobicContact CB-CG2 4.34Å; M152-V168 HydrophobicContact CG-CG1 4.34Å; A156-V168 HydrophobicContact CB-CG1 3.93Å; L159-V168 HydrophobicContact CD1-CB 3.89Å; L159-V168 HydrophobicContact CD1-CG1 4.25Å |
| 169 | V | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.5 | -175.1 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | V59 H63 L64 M66 L171 L187 F189 Y194 | V59-V169 HydrophobicContact CG1-CG2 4.08Å; V59-V169 HydrophobicContact CG2-CG2 3.9Å; H63-V169 HydrophobicContact CB-CG2 3.89Å; L64-V169 PolarHBondContact O-N 3.12Å; M66-V169 PolarHBondContact N-O 3.34Å; V169-L171 HydrophobicContact CG1-CD2 4.15Å; V169-L187 CarbonylContact C-O 3.5Å; V169-L187 WeakPolarHBondContact CA-O 3.31Å; V169-L187 HydrophobicContact CG2-CB 4.09Å; V169-L187 HydrophobicContact CG2-CD1 4.17Å; V169-F189 HydrophobicContact CG1-CD2 3.64Å; V169-F189 HydrophobicContact CG1-CE2 3.97Å; V169-Y194 HydrophobicContact CG1-CE2 4.46Å |
| 170 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.5 | 172.9 | 175.1 | 69 | 0 | 0 | 0 | 109.9 | M66 D68 I148 L149 M152 A181 L187 A188 F189 | M66-L170 WeakPolarHBondContact O-CA 3.47Å; D68-L170 HydrophobicContact CB-CD1 4.44Å; I148-L170 HydrophobicContact CG2-CD1 3.9Å; L149-L170 HydrophobicContact CD2-CD2 3.66Å; M152-L170 HydrophobicContact CE-CB 3.75Å; M152-L170 HydrophobicContact SD-CB 3.53Å; M152-L170 VanDerWaalsContact SD-CB 3.53Å; M152-L170 HydrophobicContact SD-CD2 4.22Å; M152-L170 HydrophobicContact SD-CG 4.45Å; L170-A181 HydrophobicContact CD2-CB 4.02Å; L170-L187 PolarHBondContact N-O 3.27Å; L170-A188 HydrophobicContact CB-CB 4.03Å; L170-A188 HydrophobicContact CD2-CB 4.26Å; L170-A188 HydrophobicContact CG-CB 4.47Å; L170-A188 VanDerWaalsContact O-CA 3.3Å; L170-A188 WeakPolarHBondContact O-CA 3.44Å; L170-F189 PolarHBondContact O-N 3.46Å |
| 171 | L | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.5 | 167.4 | -57.6 | -177.3 | 0 | 0 | 0 | 109.2 | I65 M66 L67 D68 L71 F84 V169 F189 L191 Y194 | I65-L171 HydrophobicContact CG2-CD1 3.61Å; I65-L171 HydrophobicContact CG2-CG 3.92Å; M66-L171 PolarHBondContact O-N 2.87Å; L67-L171 HydrophobicContact CD2-CB 4.3Å; L67-L171 HydrophobicContact CD2-CD1 4.43Å; D68-L171 PolarHBondContact N-O 3.23Å; L71-L171 HydrophobicContact CD1-CB 3.64Å; F84-L171 HydrophobicContact CE1-CD1 4.37Å; V169-L171 HydrophobicContact CG1-CD2 4.15Å; L171-F189 WeakPolarHBondContact CA-O 3.3Å; L171-F189 HydrophobicContact CD2-CB 4.42Å; L171-L191 HydrophobicContact CD1-CD1 3.89Å; L171-Y194 HydrophobicContact CD1-CD1 4.01Å; L171-Y194 HydrophobicContact CD1-CE1 4.2Å; L171-Y194 HydrophobicContact CD1-CG 4.23Å; L171-Y194 HydrophobicContact CD2-CD1 4.2Å; L171-Y194 HydrophobicContact CD2-CD2 3.57Å; L171-Y194 HydrophobicContact CD2-CE2 4.17Å; L171-Y194 HydrophobicContact CD2-CG 3.56Å |
| 172 | S | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -153.3 | 127.7 | -178.4 | 171.3 | 0 | 0 | 0 | 0 | 110 | D174 N177 V178 F189 S190 | S172-D174 VanDerWaalsContact C-N 3.27Å; S172-D174 PolarHBondContact OG-N 2.96Å; S172-D174 PolarHBondContact OG-O 3.42Å; S172-N177 PolarHBondContact OG-ND2 2.7Å; S172-V178 WeakPolarHBondContact O-CG2 3.42Å; S172-F189 PolarHBondContact N-O 2.75Å; S172-F189 VanDerWaalsContact N-O 3.1Å; S172-S190 WeakPolarHBondContact O-CA 3.31Å | ||
| 173 | N | 89.9 | Confident | 93.6 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -83 | -5.9 | 171.1 | -69.4 | -15.3 | 0 | 0 | 0 | 112.3 | E75 V175 L191 | E75-N173 PolarHBondContact OE1-ND2 3.49Å; N173-V175 PolarHBondContact O-N 2.94Å; N173-L191 VanDerWaalsContact OD1-CB 3.26Å; N173-L191 WeakPolarHBondContact OD1-CB 3.48Å; N173-L191 PolarHBondContact OD1-N 3.19Å |
| 174 | D | 89.3 | Confident | 93.7 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 34% | 0.342 | 27% | 0.265 | S | S | . | . | trans | -77.2 | 108.8 | 168.6 | -174.9 | -26 | 0 | 0 | 0 | 110.3 | S172 E176 N177 V178 | S172-D174 VanDerWaalsContact C-N 3.27Å; S172-D174 PolarHBondContact OG-N 2.96Å; S172-D174 PolarHBondContact OG-O 3.42Å; D174-E176 VanDerWaalsContact C-N 3.28Å; D174-E176 PolarHBondContact O-N 3.28Å; D174-E176 WeakPolarHBondContact OD1-CA 3.4Å; D174-E176 WeakPolarHBondContact OD1-CB 3.45Å; D174-E176 PolarHBondContact OD1-N 2.99Å; D174-N177 HydrophobicContact CB-CB 3.74Å; D174-N177 WeakPolarHBondContact O-CB 3.42Å; D174-N177 PolarHBondContact O-N 3.41Å; D174-N177 VanDerWaalsContact O-N 3.17Å; D174-N177 PolarHBondContact OD1-N 3.3Å; D174-N177 VanDerWaalsContact OD1-N 3.13Å; D174-V178 WeakPolarHBondContact O-CG2 3.43Å; D174-V178 PolarHBondContact O-N 2.87Å | ||
| 175 | V | 90.2 | Very high | 93.8 | Very high | 121 Ų | 121 | 53.6 Ų | 53.6 | 73% | 0.733 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.5 | -37.5 | 179 | 180 | 0 | 0 | 0 | 0 | 112.2 | N173 K179 | N173-V175 PolarHBondContact O-N 2.94Å; V175-K179 WeakPolarHBondContact O-CB 3.44Å; V175-K179 PolarHBondContact O-N 3.36Å |
| 176 | E | 90.8 | Very high | 94.1 | Very high | 117 Ų | 117 | 49.8 Ų | 49.8 | 55% | 0.547 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.4 | -37.8 | 179 | -163.6 | -176.3 | 150.1 | 0 | 0 | 110.8 | D174 K179 K180 | D174-E176 VanDerWaalsContact C-N 3.28Å; D174-E176 PolarHBondContact O-N 3.28Å; D174-E176 WeakPolarHBondContact OD1-CA 3.4Å; D174-E176 WeakPolarHBondContact OD1-CB 3.45Å; D174-E176 PolarHBondContact OD1-N 2.99Å; E176-K179 PolarHBondContact O-N 3.36Å; E176-K180 WeakPolarHBondContact O-CG 3.23Å; E176-K180 PolarHBondContact O-N 3.22Å; E176-K180 VanDerWaalsContact OE1-CE 3.23Å; E176-K180 WeakPolarHBondContact OE1-CE 3.34Å; E176-K180 IonicContact OE1-NZ 2.83Å; E176-K180 PolarHBondContact OE1-NZ 2.98Å |
| 177 | N | 91.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 176.1 | -164.3 | 31.7 | 0 | 0 | 0 | 111.9 | S172 D174 K179 K180 A181 | S172-N177 PolarHBondContact OG-ND2 2.7Å; D174-N177 HydrophobicContact CB-CB 3.74Å; D174-N177 WeakPolarHBondContact O-CB 3.42Å; D174-N177 PolarHBondContact O-N 3.41Å; D174-N177 VanDerWaalsContact O-N 3.17Å; D174-N177 PolarHBondContact OD1-N 3.3Å; D174-N177 VanDerWaalsContact OD1-N 3.13Å; N177-K179 VanDerWaalsContact C-N 3.34Å; N177-K179 PolarHBondContact O-N 3.31Å; N177-K180 PolarHBondContact O-N 2.83Å; N177-A181 PolarHBondContact O-N 3.48Å |
| 178 | V | 94 | Very high | 94.3 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | S172 D174 K180 A181 L182 A188 | S172-V178 WeakPolarHBondContact O-CG2 3.42Å; D174-V178 WeakPolarHBondContact O-CG2 3.43Å; D174-V178 PolarHBondContact O-N 2.87Å; V178-K180 PolarHBondContact O-N 2.93Å; V178-A181 WeakPolarHBondContact O-CB 3.5Å; V178-A181 PolarHBondContact O-N 3.04Å; V178-L182 HydrophobicContact CG1-CD1 4.03Å; V178-L182 HydrophobicContact CG1-CG 4.48Å; V178-L182 WeakPolarHBondContact O-CG 3.47Å; V178-L182 PolarHBondContact O-N 2.97Å; V178-A188 HydrophobicContact CG1-CB 4.17Å |
| 179 | K | 94.9 | Very high | 94.3 | Very high | 126 Ų | 126 | 51.4 Ų | 51.4 | 55% | 0.548 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 177.7 | -172.7 | -173.9 | 178.8 | -161.1 | 0 | 112 | V175 E176 N177 A181 L182 E183 | V175-K179 WeakPolarHBondContact O-CB 3.44Å; V175-K179 PolarHBondContact O-N 3.36Å; E176-K179 PolarHBondContact O-N 3.36Å; N177-K179 VanDerWaalsContact C-N 3.34Å; N177-K179 PolarHBondContact O-N 3.31Å; K179-A181 VanDerWaalsContact C-N 3.33Å; K179-A181 PolarHBondContact O-N 2.86Å; K179-L182 PolarHBondContact O-N 3.42Å; K179-E183 WeakPolarHBondContact CE-OE1 3.37Å; K179-E183 IonicContact NZ-OE1 3.23Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.96Å |
| 180 | K | 94.4 | Very high | 94.1 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 177.2 | -76.6 | 166.8 | -178.9 | 163.3 | 0 | 111.9 | L149 E176 N177 V178 E183 M184 | L149-K180 HydrophobicContact CD1-CB 3.86Å; E176-K180 WeakPolarHBondContact O-CG 3.23Å; E176-K180 PolarHBondContact O-N 3.22Å; E176-K180 VanDerWaalsContact OE1-CE 3.23Å; E176-K180 WeakPolarHBondContact OE1-CE 3.34Å; E176-K180 IonicContact OE1-NZ 2.83Å; E176-K180 PolarHBondContact OE1-NZ 2.98Å; N177-K180 PolarHBondContact O-N 2.83Å; V178-K180 PolarHBondContact O-N 2.93Å; K180-E183 PolarHBondContact O-N 3.29Å; K180-M184 WeakPolarHBondContact O-CG 3.25Å; K180-M184 PolarHBondContact O-N 3.28Å; K180-M184 VanDerWaalsContact O-N 3.11Å |
| 181 | A | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L149 L170 N177 V178 K179 E183 M184 G185 L186 A188 | L149-A181 HydrophobicContact CD2-CB 3.6Å; L170-A181 HydrophobicContact CD2-CB 4.02Å; N177-A181 PolarHBondContact O-N 3.48Å; V178-A181 WeakPolarHBondContact O-CB 3.5Å; V178-A181 PolarHBondContact O-N 3.04Å; K179-A181 VanDerWaalsContact C-N 3.33Å; K179-A181 PolarHBondContact O-N 2.86Å; A181-E183 PolarHBondContact O-N 2.85Å; A181-M184 CarbonylContact O-C 3.45Å; A181-M184 WeakPolarHBondContact O-CB 3.41Å; A181-M184 PolarHBondContact O-N 3.47Å; A181-M184 VanDerWaalsContact O-N 3.1Å; A181-G185 PolarHBondContact O-N 2.89Å; A181-L186 HydrophobicContact CB-CB 4.36Å; A181-L186 WeakPolarHBondContact O-CB 3.29Å; A181-L186 PolarHBondContact O-N 2.96Å; A181-A188 HydrophobicContact CB-CB 3.44Å; A181-A188 VanDerWaalsContact CB-CB 3.44Å |
| 182 | L | 96.1 | Very high | 93.5 | Very high | 97 Ų | 97 | 57.3 Ų | 57.3 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 177.4 | -67 | 171.2 | 0 | 0 | 0 | 112.1 | V178 K179 M184 G185 | V178-L182 HydrophobicContact CG1-CD1 4.03Å; V178-L182 HydrophobicContact CG1-CG 4.48Å; V178-L182 WeakPolarHBondContact O-CG 3.47Å; V178-L182 PolarHBondContact O-N 2.97Å; K179-L182 PolarHBondContact O-N 3.42Å; L182-M184 PolarHBondContact O-N 3.38Å; L182-G185 PolarHBondContact O-N 3.1Å |
| 183 | E | 95.8 | Very high | 93.4 | Very high | 137 Ų | 137 | 60.7 Ų | 60.7 | 64% | 0.64 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.2 | -28 | 174.1 | -74 | 174.6 | -179.5 | 0 | 0 | 112.6 | K179 K180 A181 G185 | K179-E183 WeakPolarHBondContact CE-OE1 3.37Å; K179-E183 IonicContact NZ-OE1 3.23Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.96Å; K180-E183 PolarHBondContact O-N 3.29Å; A181-E183 PolarHBondContact O-N 2.85Å; E183-G185 VanDerWaalsContact C-N 3.26Å |
| 184 | M | 95.1 | Very high | 93.5 | Very high | 83 Ų | 83 | 59.3 Ų | 59.3 | 41% | 0.409 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 0.3 | 172.7 | -66.9 | 174.1 | 64.7 | 0 | 0 | 113.3 | L149 E153 K180 A181 L182 L186 | L149-M184 HydrophobicContact CB-CE 4.49Å; L149-M184 HydrophobicContact CB-SD 4.16Å; L149-M184 HydrophobicContact CD1-SD 4.23Å; E153-M184 HydrophobicContact CB-CE 4.17Å; E153-M184 HydrophobicContact CG-CE 4.5Å; K180-M184 WeakPolarHBondContact O-CG 3.25Å; K180-M184 PolarHBondContact O-N 3.28Å; K180-M184 VanDerWaalsContact O-N 3.11Å; A181-M184 CarbonylContact O-C 3.45Å; A181-M184 WeakPolarHBondContact O-CB 3.41Å; A181-M184 PolarHBondContact O-N 3.47Å; A181-M184 VanDerWaalsContact O-N 3.1Å; L182-M184 PolarHBondContact O-N 3.38Å; M184-L186 HydrophobicContact CB-CD1 3.9Å; M184-L186 HydrophobicContact CB-CG 3.94Å; M184-L186 HydrophobicContact CE-CD1 4.04Å; M184-L186 HydrophobicContact SD-CD1 4.36Å |
| 185 | G | 94.3 | Very high | 93.6 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 73% | 0.732 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 22 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | A181 L182 E183 | A181-G185 PolarHBondContact O-N 2.89Å; L182-G185 PolarHBondContact O-N 3.1Å; E183-G185 VanDerWaalsContact C-N 3.26Å |
| 186 | L | 95.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | trans | -100.7 | 148.5 | -177.8 | -53.5 | 172.3 | 0 | 0 | 0 | 111.3 | M152 E153 A156 A181 M184 A188 | M152-L186 HydrophobicContact CB-CD1 4.3Å; M152-L186 HydrophobicContact CE-CB 3.54Å; M152-L186 HydrophobicContact CG-CD1 4.24Å; M152-L186 HydrophobicContact SD-CB 3.58Å; M152-L186 VanDerWaalsContact SD-CB 3.58Å; M152-L186 HydrophobicContact SD-CD1 3.65Å; M152-L186 HydrophobicContact SD-CG 4.12Å; E153-L186 HydrophobicContact CB-CD1 4.23Å; E153-L186 HydrophobicContact CB-CD2 4.29Å; A156-L186 HydrophobicContact CB-CD2 4.15Å; A181-L186 HydrophobicContact CB-CB 4.36Å; A181-L186 WeakPolarHBondContact O-CB 3.29Å; A181-L186 PolarHBondContact O-N 2.96Å; M184-L186 HydrophobicContact CB-CD1 3.9Å; M184-L186 HydrophobicContact CB-CG 3.94Å; M184-L186 HydrophobicContact CE-CD1 4.04Å; M184-L186 HydrophobicContact SD-CD1 4.36Å; L186-A188 PolarHBondContact O-N 2.93Å | ||
| 187 | L | 96 | Very high | 93.5 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 36% | 0.356 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 107.3 | 178.5 | -63.2 | 177.1 | 0 | 0 | 0 | 111.6 | V59 M152 D167 V169 L170 F189 | V59-L187 HydrophobicContact CG1-CD1 4.46Å; M152-L187 WeakPolarHBondContact CE-O 3.29Å; D167-L187 HydrophobicContact CB-CD1 4.03Å; V169-L187 CarbonylContact C-O 3.5Å; V169-L187 WeakPolarHBondContact CA-O 3.31Å; V169-L187 HydrophobicContact CG2-CB 4.09Å; V169-L187 HydrophobicContact CG2-CD1 4.17Å; L170-L187 PolarHBondContact N-O 3.27Å; L187-F189 HydrophobicContact CB-CE2 4.45Å |
| 188 | A | 96.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 141.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L170 V178 A181 L186 | L170-A188 HydrophobicContact CB-CB 4.03Å; L170-A188 HydrophobicContact CD2-CB 4.26Å; L170-A188 HydrophobicContact CG-CB 4.47Å; L170-A188 VanDerWaalsContact O-CA 3.3Å; L170-A188 WeakPolarHBondContact O-CA 3.44Å; V178-A188 HydrophobicContact CG1-CB 4.17Å; A181-A188 HydrophobicContact CB-CB 3.44Å; A181-A188 VanDerWaalsContact CB-CB 3.44Å; L186-A188 PolarHBondContact O-N 2.93Å |
| 189 | F | 95.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 60 Ų | 60 | 18% | 0.18 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.9 | -178.6 | -53.7 | -75.5 | 0 | 0 | 0 | 111.4 | I58 V59 V169 L170 L171 S172 L187 | I58-F189 HydrophobicContact CD1-CB 4.37Å; I58-F189 HydrophobicContact CD1-CD1 3.25Å; I58-F189 HydrophobicContact CD1-CD2 4.41Å; I58-F189 HydrophobicContact CD1-CE1 3.46Å; I58-F189 VanDerWaalsContact CD1-CE1 3.46Å; I58-F189 HydrophobicContact CD1-CG 3.75Å; I58-F189 HydrophobicContact CD1-CZ 4.15Å; I58-F189 HydrophobicContact CG1-CD1 4.11Å; I58-F189 HydrophobicContact CG1-CE1 3.8Å; I58-F189 HydrophobicContact CG1-CZ 4.13Å; I58-F189 HydrophobicContact CG2-CD2 4.26Å; I58-F189 HydrophobicContact CG2-CE2 4.21Å; I58-F189 HydrophobicContact CG2-CZ 4.41Å; V59-F189 HydrophobicContact CG2-CD2 4.46Å; V59-F189 HydrophobicContact CG2-CE2 3.8Å; V59-F189 HydrophobicContact CG2-CZ 4.5Å; V169-F189 HydrophobicContact CG1-CD2 3.64Å; V169-F189 HydrophobicContact CG1-CE2 3.97Å; L170-F189 PolarHBondContact O-N 3.46Å; L171-F189 WeakPolarHBondContact CA-O 3.3Å; L171-F189 HydrophobicContact CD2-CB 4.42Å; S172-F189 PolarHBondContact N-O 2.75Å; S172-F189 VanDerWaalsContact N-O 3.1Å; L187-F189 HydrophobicContact CB-CE2 4.45Å |
| 190 | S | 92.9 | Very high | 91.8 | Very high | 27 Ų | 27 | 61 Ų | 61 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | trans | -66.8 | 152.7 | 164.2 | 74.5 | 0 | 0 | 0 | 0 | 109.9 | S172 H192 D193 Y194 | S172-S190 WeakPolarHBondContact O-CA 3.31Å; S190-H192 PolarHBondContact O-N 3.33Å; S190-D193 PolarHBondContact O-N 3.28Å; S190-D193 VanDerWaalsContact OG-CB 3.23Å; S190-D193 WeakPolarHBondContact OG-CB 3.47Å; S190-D193 PolarHBondContact OG-N 3.09Å; S190-D193 PolarHBondContact OG-OD2 3.07Å; S190-Y194 WeakPolarHBondContact O-CB 3.48Å; S190-Y194 PolarHBondContact O-N 2.94Å | ||
| 191 | L | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 177.5 | -172.3 | 58.1 | 0 | 0 | 0 | 110.8 | L71 E75 L78 F84 L171 N173 Y194 V195 M208 | L71-L191 HydrophobicContact CD1-CB 3.88Å; L71-L191 HydrophobicContact CD1-CD1 4.27Å; L71-L191 HydrophobicContact CD1-CD2 4.09Å; L71-L191 HydrophobicContact CD1-CG 4.31Å; L71-L191 HydrophobicContact CD2-CD2 4.22Å; L71-L191 HydrophobicContact CG-CD2 4.06Å; E75-L191 HydrophobicContact CB-CD2 3.63Å; E75-L191 HydrophobicContact CG-CD2 3.47Å; E75-L191 VanDerWaalsContact CG-CD2 3.47Å; L78-L191 HydrophobicContact CD2-CD1 4.43Å; L78-L191 HydrophobicContact CD2-CD2 3.61Å; L78-L191 HydrophobicContact CD2-CG 4.06Å; F84-L191 HydrophobicContact CE1-CD1 4.35Å; F84-L191 HydrophobicContact CZ-CD1 4.19Å; L171-L191 HydrophobicContact CD1-CD1 3.89Å; N173-L191 VanDerWaalsContact OD1-CB 3.26Å; N173-L191 WeakPolarHBondContact OD1-CB 3.48Å; N173-L191 PolarHBondContact OD1-N 3.19Å; L191-Y194 PolarHBondContact O-N 3.28Å; L191-V195 HydrophobicContact CD1-CG2 3.87Å; L191-V195 HydrophobicContact CG-CG2 4.09Å; L191-V195 WeakPolarHBondContact O-CB 3.16Å; L191-V195 VanDerWaalsContact O-CG2 3.26Å; L191-V195 WeakPolarHBondContact O-CG2 3.31Å; L191-V195 PolarHBondContact O-N 3.39Å; L191-M208 HydrophobicContact CB-CE 3.99Å; L191-M208 HydrophobicContact CD2-CE 4.18Å; L191-M208 HydrophobicContact CG-CE 4.05Å |
| 192 | H | 89.5 | Confident | 90.2 | Very high | 98 Ų | 98 | 61.1 Ų | 61.1 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 177.6 | 177.3 | -83.1 | 0 | 0 | 0 | 112 | S190 Y194 V195 S196 M208 | S190-H192 PolarHBondContact O-N 3.33Å; H192-Y194 VanDerWaalsContact C-N 3.25Å; H192-Y194 PolarHBondContact O-N 3.32Å; H192-V195 PolarHBondContact O-N 3.08Å; H192-S196 WeakPolarHBondContact O-CB 3.24Å; H192-S196 PolarHBondContact O-N 3.45Å; H192-S196 PolarHBondContact O-OG 3.08Å; H192-M208 HydrophobicContact CB-CE 3.91Å; H192-M208 HydrophobicContact CB-SD 4.26Å |
| 193 | D | 90.7 | Very high | 89.3 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.7 | -31.2 | 179.6 | -70.4 | -35.7 | 0 | 0 | 0 | 112.8 | I58 S190 S196 R197 | I58-D193 HydrophobicContact CD1-CB 4.35Å; S190-D193 PolarHBondContact O-N 3.28Å; S190-D193 VanDerWaalsContact OG-CB 3.23Å; S190-D193 WeakPolarHBondContact OG-CB 3.47Å; S190-D193 PolarHBondContact OG-N 3.09Å; S190-D193 PolarHBondContact OG-OD2 3.07Å; D193-S196 PolarHBondContact O-OG 3.11Å; D193-S196 VanDerWaalsContact O-OG 3.13Å; D193-R197 PolarHBondContact O-NH1 3.14Å; D193-R197 VanDerWaalsContact O-NH1 3.08Å |
| 194 | Y | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.6 | -52.6 | 176.1 | -174.3 | -91.8 | 0 | 0 | 0 | 111.2 | L55 S56 I58 V59 H63 I65 F84 V169 L171 S190 L191 H192 R197 M198 | L55-Y194 WeakPolarHBondContact CB-OH 3.49Å; L55-Y194 HydrophobicContact CD2-CE1 4.12Å; L55-Y194 HydrophobicContact CG-CE1 4.47Å; S56-Y194 WeakPolarHBondContact CB-O 3.22Å; S56-Y194 PolarHBondContact OG-O 3.38Å; I58-Y194 HydrophobicContact CG2-CD2 3.87Å; I58-Y194 HydrophobicContact CG2-CE2 4.39Å; V59-Y194 HydrophobicContact CG2-CE2 4.23Å; H63-Y194 AromaticContact NE2-CE2 3.49Å; H63-Y194 WeakPolarHBondContact NE2-CE2 3.4Å; H63-Y194 AromaticContact NE2-CZ 3.51Å; H63-Y194 PolarHBondContact NE2-OH 3.26Å; I65-Y194 HydrophobicContact CD1-CE1 4.47Å; F84-Y194 HydrophobicContact CE1-CE1 4.37Å; V169-Y194 HydrophobicContact CG1-CE2 4.46Å; L171-Y194 HydrophobicContact CD1-CD1 4.01Å; L171-Y194 HydrophobicContact CD1-CE1 4.2Å; L171-Y194 HydrophobicContact CD1-CG 4.23Å; L171-Y194 HydrophobicContact CD2-CD1 4.2Å; L171-Y194 HydrophobicContact CD2-CD2 3.57Å; L171-Y194 HydrophobicContact CD2-CE2 4.17Å; L171-Y194 HydrophobicContact CD2-CG 3.56Å; S190-Y194 WeakPolarHBondContact O-CB 3.48Å; S190-Y194 PolarHBondContact O-N 2.94Å; L191-Y194 PolarHBondContact O-N 3.28Å; H192-Y194 VanDerWaalsContact C-N 3.25Å; H192-Y194 PolarHBondContact O-N 3.32Å; Y194-R197 PolarHBondContact O-N 3.45Å; Y194-M198 HydrophobicContact CD1-CG 4.45Å; Y194-M198 HydrophobicContact CD1-SD 4.01Å; Y194-M198 HydrophobicContact CE1-CG 4.4Å; Y194-M198 HydrophobicContact CE1-SD 3.89Å |
| 195 | V | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | -177.4 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | L78 F84 L191 H192 R197 M198 C201 L204 L205 | L78-V195 HydrophobicContact CD2-CG2 4.15Å; F84-V195 HydrophobicContact CZ-CG2 4.12Å; L191-V195 HydrophobicContact CD1-CG2 3.87Å; L191-V195 HydrophobicContact CG-CG2 4.09Å; L191-V195 WeakPolarHBondContact O-CB 3.16Å; L191-V195 VanDerWaalsContact O-CG2 3.26Å; L191-V195 WeakPolarHBondContact O-CG2 3.31Å; L191-V195 PolarHBondContact O-N 3.39Å; H192-V195 PolarHBondContact O-N 3.08Å; V195-R197 PolarHBondContact O-N 2.89Å; V195-M198 HydrophobicContact CB-SD 4.39Å; V195-M198 HydrophobicContact CG2-SD 4.12Å; V195-M198 WeakPolarHBondContact O-CB 3.37Å; V195-M198 PolarHBondContact O-N 3.28Å; V195-C201 WeakPolarHBondContact O-CB 3.5Å; V195-L204 HydrophobicContact CG1-CB 3.4Å; V195-L204 HydrophobicContact CG1-CD1 4.24Å; V195-L204 HydrophobicContact CG1-CG 4.48Å; V195-L205 HydrophobicContact CB-CD2 4.11Å; V195-L205 HydrophobicContact CG1-CD2 3.79Å; V195-L205 HydrophobicContact CG1-CG 3.91Å |
| 196 | S | 88.8 | Confident | 87.1 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -17.3 | 178.9 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | H192 D193 | H192-S196 WeakPolarHBondContact O-CB 3.24Å; H192-S196 PolarHBondContact O-N 3.45Å; H192-S196 PolarHBondContact O-OG 3.08Å; D193-S196 PolarHBondContact O-OG 3.11Å; D193-S196 VanDerWaalsContact O-OG 3.13Å |
| 197 | R | 90.2 | Very high | 86.3 | Confident | 112 Ų | 112 | 49.2 Ų | 49.2 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 9.8 | -179.5 | -72 | 173.2 | 177.8 | 116.3 | -10.9 | 113.7 | S56 S57 I58 D193 Y194 V195 | S56-R197 VanDerWaalsContact OG-CB 3.31Å; S56-R197 WeakPolarHBondContact OG-CB 3.4Å; S57-R197 PolarHBondContact N-O 3.09Å; S57-R197 WeakPolarHBondContact OG-CB 3.49Å; S57-R197 PolarHBondContact OG-O 3.44Å; I58-R197 HydrophobicContact CB-CB 4.33Å; I58-R197 VanDerWaalsContact CB-CD 3.44Å; D193-R197 PolarHBondContact O-NH1 3.14Å; D193-R197 VanDerWaalsContact O-NH1 3.08Å; Y194-R197 PolarHBondContact O-N 3.45Å; V195-R197 PolarHBondContact O-N 2.89Å |
| 198 | M | 90.6 | Very high | 85.5 | Confident | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -84.5 | 158.2 | 171.4 | -63.5 | -179.1 | 53.9 | 0 | 0 | 111.6 | L55 V83 F84 Y194 V195 C201 L204 | L55-M198 HydrophobicContact CD1-CE 3.53Å; L55-M198 HydrophobicContact CD2-CE 3.82Å; L55-M198 HydrophobicContact CD2-SD 4.42Å; L55-M198 HydrophobicContact CG-CE 3.46Å; L55-M198 VanDerWaalsContact CG-CE 3.46Å; L55-M198 HydrophobicContact CG-SD 4.22Å; L55-M198 WeakPolarHBondContact O-CG 3.42Å; V83-M198 HydrophobicContact CB-CE 3.99Å; V83-M198 HydrophobicContact CG2-CE 3.89Å; F84-M198 HydrophobicContact CZ-SD 4.49Å; Y194-M198 HydrophobicContact CD1-CG 4.45Å; Y194-M198 HydrophobicContact CD1-SD 4.01Å; Y194-M198 HydrophobicContact CE1-CG 4.4Å; Y194-M198 HydrophobicContact CE1-SD 3.89Å; V195-M198 HydrophobicContact CB-SD 4.39Å; V195-M198 HydrophobicContact CG2-SD 4.12Å; V195-M198 WeakPolarHBondContact O-CB 3.37Å; V195-M198 PolarHBondContact O-N 3.28Å; M198-C201 WeakPolarHBondContact O-CB 3.34Å; M198-C201 PolarHBondContact O-N 3.17Å; M198-L204 HydrophobicContact CE-CD1 3.53Å; M198-L204 HydrophobicContact SD-CD1 3.95Å |
| 199 | E | 80.6 | Confident | 84.3 | Confident | 173 Ų | 173 | 47.9 Ų | 47.9 | 81% | 0.808 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 138.8 | 165.7 | -65.8 | -175.2 | 173.3 | 0 | 0 | 109.9 | C201 | E199-C201 VanDerWaalsContact C-N 3.26Å; E199-C201 PolarHBondContact O-N 2.63Å |
| 200 | N | 73.4 | Confident | 82.8 | Confident | 147 Ų | 147 | 47.5 Ų | 47.5 | 79% | 0.786 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 29.7 | -176.1 | -56.6 | -35.3 | 0 | 0 | 0 | 115.3 | A202 D203 | N200-A202 PolarHBondContact O-N 3.28Å; N200-D203 PolarHBondContact O-N 2.89Å |
| 201 | C | 80.2 | Confident | 81.1 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -24.3 | -176.8 | 64.4 | 0 | 0 | 0 | 0 | 115.7 | V195 M198 E199 D203 L204 L205 | V195-C201 WeakPolarHBondContact O-CB 3.5Å; M198-C201 WeakPolarHBondContact O-CB 3.34Å; M198-C201 PolarHBondContact O-N 3.17Å; E199-C201 VanDerWaalsContact C-N 3.26Å; E199-C201 PolarHBondContact O-N 2.63Å; C201-D203 VanDerWaalsContact C-N 3.31Å; C201-D203 PolarHBondContact O-N 3.13Å; C201-L204 PolarHBondContact O-N 3.06Å; C201-L205 HydrophobicContact CB-CD1 4.46Å; C201-L205 WeakPolarHBondContact O-CB 3.48Å; C201-L205 VanDerWaalsContact O-CG 3.27Å; C201-L205 WeakPolarHBondContact O-CG 3.45Å; C201-L205 PolarHBondContact O-N 3.3Å |
| 202 | A | 75.4 | Confident | 79.3 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | N200 | N200-A202 PolarHBondContact O-N 3.28Å |
| 203 | D | 78.2 | Confident | 77.1 | Confident | 42 Ų | 42 | 63 Ų | 63 | 23% | 0.225 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.8 | -41.1 | 179.1 | -167.8 | 70.4 | 0 | 0 | 0 | 111.5 | N200 C201 E206 R207 | N200-D203 PolarHBondContact O-N 2.89Å; C201-D203 VanDerWaalsContact C-N 3.31Å; C201-D203 PolarHBondContact O-N 3.13Å; D203-E206 PolarHBondContact O-N 2.86Å; D203-R207 IonicContact OD2-CZ 2.84Å; D203-R207 IonicContact OD2-NE 3.93Å; D203-R207 PolarHBondContact OD2-NE 3.23Å; D203-R207 IonicContact OD2-NH2 3.32Å; D203-R207 PolarHBondContact OD2-NH2 2.81Å |
| 204 | L | 83.2 | Confident | 74.7 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68 | -38.9 | -179.3 | -63.3 | 175.7 | 0 | 0 | 0 | 112.6 | L78 D81 V83 V195 M198 C201 E206 R207 | L78-L204 HydrophobicContact CD1-CB 3.91Å; L78-L204 HydrophobicContact CD1-CD2 3.67Å; L78-L204 HydrophobicContact CD1-CG 4.36Å; D81-L204 HydrophobicContact CB-CD2 4.12Å; V83-L204 HydrophobicContact CG2-CD1 3.81Å; V83-L204 HydrophobicContact CG2-CD2 3.75Å; V83-L204 HydrophobicContact CG2-CG 4.46Å; V195-L204 HydrophobicContact CG1-CB 3.4Å; V195-L204 HydrophobicContact CG1-CD1 4.24Å; V195-L204 HydrophobicContact CG1-CG 4.48Å; M198-L204 HydrophobicContact CE-CD1 3.53Å; M198-L204 HydrophobicContact SD-CD1 3.95Å; C201-L204 PolarHBondContact O-N 3.06Å; L204-E206 VanDerWaalsContact C-N 3.25Å; L204-E206 PolarHBondContact O-N 2.95Å; L204-R207 PolarHBondContact O-N 3.31Å |
| 205 | L | 82.9 | Confident | 72.5 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -28.7 | 177.8 | -73.2 | 173.7 | 0 | 0 | 0 | 112.6 | V195 C201 M208 | V195-L205 HydrophobicContact CB-CD2 4.11Å; V195-L205 HydrophobicContact CG1-CD2 3.79Å; V195-L205 HydrophobicContact CG1-CG 3.91Å; C201-L205 HydrophobicContact CB-CD1 4.46Å; C201-L205 WeakPolarHBondContact O-CB 3.48Å; C201-L205 VanDerWaalsContact O-CG 3.27Å; C201-L205 WeakPolarHBondContact O-CG 3.45Å; C201-L205 PolarHBondContact O-N 3.3Å; L205-M208 HydrophobicContact CD2-SD 3.92Å |
| 206 | E | 73.3 | Confident | 70 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -78.8 | -19.9 | 178.3 | -68.9 | -165.6 | 179.3 | 0 | 0 | 113.5 | D203 L204 M208 T391 R392 Q393 F420 | D203-E206 PolarHBondContact O-N 2.86Å; L204-E206 VanDerWaalsContact C-N 3.25Å; L204-E206 PolarHBondContact O-N 2.95Å; E206-M208 VanDerWaalsContact C-N 3.31Å; E206-T391 VanDerWaalsContact CD-OG1 3.24Å; E206-T391 PolarHBondContact OE1-OG1 2.89Å; E206-T391 PolarHBondContact OE2-OG1 3.22Å; E206-R392 PolarHBondContact OE1-N 2.88Å; E206-Q393 WeakPolarHBondContact OE1-CG 3.44Å; E206-Q393 PolarHBondContact OE1-N 2.84Å; E206-Q393 VanDerWaalsContact OE1-N 3.16Å; E206-F420 HydrophobicContact CB-CD1 4.46Å |
| 207 | R | 77.8 | Confident | 67.7 | Low | 45 Ų | 45 | 69.2 Ų | 69.2 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.1 | 174.3 | -58.7 | -172.7 | -163.1 | 173.7 | 10 | 113.6 | L78 D81 D203 L204 H419 F420 V421 | L78-R207 HydrophobicContact CD1-CB 4.34Å; D81-R207 IonicContact OD2-CZ 2.68Å; D81-R207 IonicContact OD2-NH1 3.37Å; D81-R207 PolarHBondContact OD2-NH1 3.49Å; D81-R207 IonicContact OD2-NH2 3.96Å; D81-R207 PolarHBondContact OD2-NH2 3.41Å; D203-R207 IonicContact OD2-CZ 2.84Å; D203-R207 IonicContact OD2-NE 3.93Å; D203-R207 PolarHBondContact OD2-NE 3.23Å; D203-R207 IonicContact OD2-NH2 3.32Å; D203-R207 PolarHBondContact OD2-NH2 2.81Å; L204-R207 PolarHBondContact O-N 3.31Å; R207-H419 PolarHBondContact O-CD2 3.35Å; R207-H419 VanDerWaalsContact O-CD2 3.28Å; R207-F420 WeakPolarHBondContact CA-O 3.44Å; R207-V421 WeakPolarHBondContact CD-O 3.41Å; R207-V421 PolarHBondContact NE-O 3.01Å |
| 208 | M | 80.2 | Confident | 65.6 | Low | 22 Ų | 22 | 74 Ų | 74 | 11% | 0.108 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -75.2 | 142.8 | 175.1 | -69.3 | -171.1 | 63.5 | 0 | 0 | 111 | E75 L78 L191 H192 L205 E206 H419 | E75-M208 WeakPolarHBondContact OE2-CA 3.29Å; L78-M208 HydrophobicContact CD2-CG 3.58Å; L78-M208 HydrophobicContact CD2-SD 4.43Å; L191-M208 HydrophobicContact CB-CE 3.99Å; L191-M208 HydrophobicContact CD2-CE 4.18Å; L191-M208 HydrophobicContact CG-CE 4.05Å; H192-M208 HydrophobicContact CB-CE 3.91Å; H192-M208 HydrophobicContact CB-SD 4.26Å; L205-M208 HydrophobicContact CD2-SD 3.92Å; E206-M208 VanDerWaalsContact C-N 3.31Å; M208-H419 WeakPolarHBondContact O-CB 3.47Å |
| 209 | A | 71.2 | Confident | 63.1 | Low | 21 Ų | 21 | 80.1 Ų | 80.1 | 17% | 0.174 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 140.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E75 E211 | E75-A209 PolarHBondContact OE2-N 3.27Å; A209-E211 PolarHBondContact O-N 2.98Å |
| 210 | V | 65 | Low | 61.7 | Low | 33 Ų | 33 | 75.4 Ų | 75.4 | 20% | 0.2 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -74 | 122.2 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | D407 L417 | V210-D407 PolarHBondContact N-OD2 2.83Å; V210-D407 VanDerWaalsContact N-OD2 3.14Å; V210-L417 HydrophobicContact CG1-CD1 4.26Å |
| 211 | E | 56.9 | Low | 61.1 | Low | 123 Ų | 123 | 72.3 Ų | 72.3 | 58% | 0.575 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 141.7 | 172.8 | -81.7 | -167.3 | 169.5 | 0 | 0 | 112.6 | A209 T213 | A209-E211 PolarHBondContact O-N 2.98Å; E211-T213 PolarHBondContact O-N 2.79Å |
| 212 | R | 52.8 | Low | 60.2 | Low | 213 Ų | 213 | 74.4 Ų | 74.4 | 80% | 0.804 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -59.3 | -18.1 | -177.2 | -73.7 | -177 | 178.8 | -179.4 | 0 | 115.1 | C214 | R212-C214 PolarHBondContact O-N 3.48Š|
| 213 | T | 43.4 | Very low | 59.8 | Low | 114 Ų | 114 | 72.4 Ų | 72.4 | 70% | 0.699 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -73 | -7.6 | -163.8 | 40.4 | 0 | 0 | 0 | 0 | 114.8 | E211 | E211-T213 PolarHBondContact O-N 2.79Š|
| 214 | C | 39.3 | Very low | 59.8 | Low | 71 Ų | 71 | 70.9 Ų | 70.9 | 48% | 0.48 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -103.6 | 7.9 | -170.1 | -62.8 | 0 | 0 | 0 | 0 | 116.8 | R212 R374 | R212-C214 PolarHBondContact O-N 3.48Å; C214-R374 PolarHBondContact O-NH2 3.01Å; C214-R374 VanDerWaalsContact O-NH2 3.07Å |
| 215 | I | 47.6 | Very low | 59.7 | Low | 54 Ų | 54 | 75.6 Ų | 75.6 | 28% | 0.277 | 42% | 0.423 | S | S | . | . | trans | -100.2 | 96.7 | 171.2 | -57.3 | 163.9 | 0 | 0 | 0 | 108.4 | G217 P410 L417 | I215-G217 PolarHBondContact O-N 2.79Å; I215-P410 HydrophobicContact CD1-CB 4.18Å; I215-P410 HydrophobicContact CD1-CG 3.61Å; I215-L417 HydrophobicContact CD1-CD1 3.54Å; I215-L417 HydrophobicContact CD1-CD2 4.09Å; I215-L417 HydrophobicContact CD1-CG 4.01Å; I215-L417 HydrophobicContact CG1-CD1 4.33Å | ||
| 216 | G | 38.8 | Very low | 59.8 | Low | 80 Ų | 80 | 79.7 Ų | 79.7 | 83% | 0.825 | 44% | 0.441 | S | S | * | . | trans | -67.3 | 60.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R218 | G216-R218 PolarHBondContact O-N 3.17Š| ||
| 217 | G | 41.5 | Very low | 60.6 | Low | 38 Ų | 38 | 81.1 Ų | 81.1 | 39% | 0.392 | 45% | 0.446 | S | S | . | . | trans | -63.8 | 114.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I215 D412 | I215-G217 PolarHBondContact O-N 2.79Å; G217-D412 WeakPolarHBondContact CA-OD2 3.24Å | ||
| 218 | R | 44.3 | Very low | 61.1 | Low | 213 Ų | 213 | 81.9 Ų | 81.9 | 80% | 0.804 | 45% | 0.453 | S | S | * | . | trans | -63 | 133.6 | 167.5 | -71.8 | -179.6 | 179.1 | 174.9 | 0.6 | 108.6 | G216 G220 N221 | G216-R218 PolarHBondContact O-N 3.17Å; R218-G220 PolarHBondContact O-N 2.77Å; R218-G220 VanDerWaalsContact O-N 3.09Å; R218-N221 PolarHBondContact O-N 2.96Å | ||
| 219 | P | 39.6 | Very low | 61.3 | Low | 140 Ų | 140 | 83.4 Ų | 83.4 | 91% | 0.909 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 119.1 | 171.9 | 12.1 | -17.7 | 0 | 0 | 0 | 109.6 | ||
| 220 | G | 51.7 | Low | 61.9 | Low | 74 Ų | 74 | 87.8 Ų | 87.8 | 76% | 0.763 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123 | -8.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R218 | R218-G220 PolarHBondContact O-N 2.77Å; R218-G220 VanDerWaalsContact O-N 3.09Å |
| 221 | N | 59.1 | Low | 62.7 | Low | 82 Ų | 82 | 90.1 Ų | 90.1 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | trans | -101.8 | 21.2 | -177.8 | -132.3 | 18.1 | 0 | 0 | 0 | 114.3 | R218 K223 | R218-N221 PolarHBondContact O-N 2.96Å; N221-K223 PolarHBondContact O-N 2.99Å | ||
| 222 | T | 61.1 | Low | 64.3 | Low | 79 Ų | 79 | 88.8 Ų | 88.8 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | trans | -67.3 | 113.9 | -176.1 | -17.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 223 | K | 67.2 | Low | 66 | Low | 13 Ų | 13 | 78.9 Ų | 78.9 | 6% | 0.057 | 46% | 0.461 | C | S | . | . | trans | -89.4 | -21.6 | -177.7 | -60.7 | -174.6 | 178.5 | -170.8 | 0 | 113.1 | N221 L283 D323 V325 S411 R414 | N221-K223 PolarHBondContact O-N 2.99Å; K223-L283 WeakPolarHBondContact O-CA 3.37Å; K223-D323 WeakPolarHBondContact CE-O 3.06Å; K223-D323 VanDerWaalsContact NZ-C 3.29Å; K223-D323 PolarHBondContact NZ-O 2.92Å; K223-D323 IonicContact NZ-OD1 3.48Å; K223-V325 HydrophobicContact CG-CG2 4.41Å; K223-S411 PolarHBondContact N-O 3.49Å; K223-R414 HydrophobicContact CD-CB 4.36Å | ||
| 224 | F | 78.2 | Confident | 68.2 | Low | 10 Ų | 10 | 80.5 Ų | 80.5 | 4% | 0.044 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -128.4 | 143.1 | -177.1 | -61.3 | -71.4 | 0 | 0 | 0 | 110.1 | L284 N287 R288 W409 S411 S413 | F224-L284 HydrophobicContact CD1-CB 4.38Å; F224-L284 HydrophobicContact CE1-CB 4.04Å; F224-L284 HydrophobicContact CE1-CD1 3.8Å; F224-L284 HydrophobicContact CE1-CG 4.21Å; F224-L284 HydrophobicContact CZ-CD1 4.22Å; F224-N287 WeakPolarHBondContact CB-OD1 3.47Å; F224-N287 WeakPolarHBondContact CD1-O 3.29Å; F224-N287 WeakPolarHBondContact CE1-O 3.38Å; F224-R288 HydrophobicContact CB-CG 3.93Å; F224-R288 HydrophobicContact CD1-CG 3.97Å; F224-R288 HydrophobicContact CD2-CG 3.6Å; F224-R288 HydrophobicContact CE1-CG 4.32Å; F224-R288 HydrophobicContact CE2-CG 4.02Å; F224-R288 HydrophobicContact CG-CG 3.56Å; F224-R288 HydrophobicContact CZ-CG 4.35Å; F224-W409 HydrophobicContact CE2-CZ2 4.29Å; F224-W409 AromaticContact CE2-NE1 3.72Å; F224-W409 HydrophobicContact CZ-CZ2 4.02Å; F224-S411 PolarHBondContact N-O 3.44Å; F224-S413 VanDerWaalsContact CE2-O 3.23Å; F224-S413 WeakPolarHBondContact CE2-O 3.38Å |
| 225 | R | 82 | Confident | 70.6 | Confident | 106 Ų | 106 | 82.2 Ų | 82.2 | 40% | 0.4 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 145.6 | 170.5 | -68 | -172.6 | 176.3 | 174.8 | 2.8 | 109.5 | L283 N287 R288 R349 | R225-L283 HydrophobicContact CG-CD1 3.89Å; R225-L283 HydrophobicContact CG-CD2 4.04Å; R225-N287 PolarHBondContact O-ND2 2.88Å; R225-N287 PolarHBondContact O-OD1 3.49Å; R225-R288 PolarHBondContact O-NH1 3.49Å; R225-R349 VanDerWaalsContact NH1-CZ 3.34Å |
| 226 | E | 85 | Confident | 72.6 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 58% | 0.584 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 145.8 | 167.7 | -70.8 | -56.5 | 159.6 | 0 | 0 | 110.8 | R288 S411 | E226-R288 IonicContact OE2-NH2 3.21Å; E226-R288 PolarHBondContact OE2-NH2 3.47Å; E226-R288 VanDerWaalsContact OE2-NH2 3.1Å; E226-S411 WeakPolarHBondContact OE1-CB 3.44Å; E226-S411 PolarHBondContact OE1-OG 2.92Å |
| 227 | Y | 89.3 | Confident | 75 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -72 | 146.9 | 176.8 | -69.1 | -52.2 | 0 | 0 | 0 | 110.4 | N287 R288 V350 V351 I353 | Y227-N287 HydrophobicContact CE1-CB 3.83Å; Y227-N287 VanDerWaalsContact CE1-ND2 3.32Å; Y227-N287 WeakPolarHBondContact CE1-ND2 3.25Å; Y227-R288 HydrophobicContact CE2-CB 4.43Å; Y227-R288 VanDerWaalsContact OH-CA 3.24Å; Y227-R288 WeakPolarHBondContact OH-CA 3.41Å; Y227-R288 WeakPolarHBondContact OH-CB 3.42Å; Y227-R288 PolarHBondContact OH-N 2.9Å; Y227-R288 PolarHBondContact OH-O 2.86Å; Y227-V350 HydrophobicContact CE1-CG1 4.13Å; Y227-V351 WeakPolarHBondContact CD1-O 3.14Å; Y227-I353 HydrophobicContact CE1-CD1 4.48Å; Y227-I353 HydrophobicContact CE1-CG1 4.29Å; Y227-I353 HydrophobicContact CE2-CD1 3.87Å; Y227-I353 HydrophobicContact CE2-CG1 4.2Å; Y227-I353 WeakPolarHBondContact OH-CD1 3.31Å |
| 228 | L | 88.8 | Confident | 77.3 | Confident | 60 Ų | 60 | 81.4 Ų | 81.4 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 151.1 | 170.8 | -60.1 | 179.7 | 0 | 0 | 0 | 110 | E232 L233 F242 V351 | L228-E232 HydrophobicContact CB-CB 4.1Å; L228-L233 HydrophobicContact CB-CD2 3.86Å; L228-L233 HydrophobicContact CB-CG 4.12Å; L228-L233 HydrophobicContact CD1-CD2 4.3Å; L228-F242 HydrophobicContact CD1-CE2 3.68Å; L228-F242 HydrophobicContact CD1-CZ 3.54Å; L228-V351 HydrophobicContact CD1-CB 4.05Å; L228-V351 HydrophobicContact CD1-CG2 4.16Å; L228-V351 HydrophobicContact CG-CB 4.33Å; L228-V351 PolarHBondContact N-O 3.32Å |
| 229 | S | 85 | Confident | 79.5 | Confident | 55 Ų | 55 | 75.6 Ų | 75.6 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 154.5 | 175.8 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | S231 E232 L233 | S229-S231 PolarHBondContact O-N 3.33Å; S229-S231 VanDerWaalsContact O-N 3.08Å; S229-E232 VanDerWaalsContact CB-OE2 3.24Å; S229-E232 WeakPolarHBondContact CB-OE2 3.36Å; S229-E232 PolarHBondContact N-OE2 3.04Å; S229-E232 PolarHBondContact O-N 2.75Å; S229-E232 WeakPolarHBondContact OG-CG 3.33Å; S229-E232 PolarHBondContact OG-N 3.12Å; S229-E232 PolarHBondContact OG-OE2 3.09Å; S229-L233 WeakPolarHBondContact O-CG 3.29Å; S229-L233 PolarHBondContact O-N 3.01Å |
| 230 | L | 83.1 | Confident | 81.7 | Confident | 113 Ų | 113 | 70.7 Ų | 70.7 | 59% | 0.592 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.1 | -29 | 176.7 | -70.7 | 174.4 | 0 | 0 | 0 | 113.2 | L233 K234 | L230-L233 HydrophobicContact CD2-CD1 4.41Å; L230-K234 WeakPolarHBondContact O-CB 3.43Å; L230-K234 VanDerWaalsContact O-CG 3.23Å; L230-K234 WeakPolarHBondContact O-CG 3.18Å; L230-K234 PolarHBondContact O-N 3.04Å; L230-K234 VanDerWaalsContact O-N 3.1Å |
| 231 | S | 82.4 | Confident | 83.4 | Confident | 81 Ų | 81 | 71.1 Ų | 71.1 | 57% | 0.566 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.4 | -46.2 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | S229 K234 I235 | S229-S231 PolarHBondContact O-N 3.33Å; S229-S231 VanDerWaalsContact O-N 3.08Å; S231-K234 PolarHBondContact O-N 2.88Å; S231-I235 WeakPolarHBondContact O-CG1 3.49Å; S231-I235 PolarHBondContact O-N 2.79Å |
| 232 | E | 89.8 | Confident | 85.1 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.7 | -69.8 | 163.1 | 127 | 0 | 0 | 111.4 | L228 S229 K234 I235 G236 | L228-E232 HydrophobicContact CB-CB 4.1Å; S229-E232 VanDerWaalsContact CB-OE2 3.24Å; S229-E232 WeakPolarHBondContact CB-OE2 3.36Å; S229-E232 PolarHBondContact N-OE2 3.04Å; S229-E232 PolarHBondContact O-N 2.75Å; S229-E232 WeakPolarHBondContact OG-CG 3.33Å; S229-E232 PolarHBondContact OG-N 3.12Å; S229-E232 PolarHBondContact OG-OE2 3.09Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 2.96Å; E232-I235 PolarHBondContact O-N 2.77Å; E232-G236 PolarHBondContact O-N 3.46Å |
| 233 | L | 89.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 175 | -65.6 | 177.7 | 0 | 0 | 0 | 111.4 | L228 S229 L230 G236 L237 F242 V296 V351 L354 | L228-L233 HydrophobicContact CB-CD2 3.86Å; L228-L233 HydrophobicContact CB-CG 4.12Å; L228-L233 HydrophobicContact CD1-CD2 4.3Å; S229-L233 WeakPolarHBondContact O-CG 3.29Å; S229-L233 PolarHBondContact O-N 3.01Å; L230-L233 HydrophobicContact CD2-CD1 4.41Å; L233-G236 PolarHBondContact O-N 2.88Å; L233-L237 WeakPolarHBondContact O-CB 3.22Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.85Å; L233-F242 HydrophobicContact CD2-CD2 4.47Å; L233-F242 HydrophobicContact CD2-CE2 4.49Å; L233-V296 HydrophobicContact CD1-CG2 4.36Å; L233-V296 HydrophobicContact CD2-CB 3.93Å; L233-V296 HydrophobicContact CD2-CG1 3.93Å; L233-V296 HydrophobicContact CD2-CG2 4.17Å; L233-V351 HydrophobicContact CD2-CG2 3.94Å; L233-L354 HydrophobicContact CD1-CD2 4.46Å |
| 234 | K | 88.1 | Confident | 87.9 | Confident | 148 Ų | 148 | 72.6 Ų | 72.6 | 64% | 0.643 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 177 | -77.6 | 173.1 | -177.3 | 179 | 0 | 112.7 | L230 S231 E232 L237 S238 | L230-K234 WeakPolarHBondContact O-CB 3.43Å; L230-K234 VanDerWaalsContact O-CG 3.23Å; L230-K234 WeakPolarHBondContact O-CG 3.18Å; L230-K234 PolarHBondContact O-N 3.04Å; L230-K234 VanDerWaalsContact O-N 3.1Å; S231-K234 PolarHBondContact O-N 2.88Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 2.96Å; K234-L237 PolarHBondContact O-N 3.05Å; K234-S238 WeakPolarHBondContact O-CB 3.27Å; K234-S238 PolarHBondContact O-N 3.32Å; K234-S238 PolarHBondContact O-OG 2.68Å |
| 235 | I | 89.9 | Confident | 88.5 | Confident | 107 Ų | 107 | 72.1 Ų | 72.1 | 55% | 0.549 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177 | -66.7 | 164.8 | 0 | 0 | 0 | 110.3 | S231 E232 L237 S238 T239 | S231-I235 WeakPolarHBondContact O-CG1 3.49Å; S231-I235 PolarHBondContact O-N 2.79Å; E232-I235 PolarHBondContact O-N 2.77Å; I235-L237 PolarHBondContact O-N 2.83Å; I235-S238 PolarHBondContact O-N 2.67Å; I235-S238 PolarHBondContact O-OG 3.27Å; I235-T239 HydrophobicContact CG2-CG2 4.33Å; I235-T239 WeakPolarHBondContact O-CB 3.47Å; I235-T239 VanDerWaalsContact O-CG2 3.26Å; I235-T239 WeakPolarHBondContact O-CG2 3.44Å; I235-T239 PolarHBondContact O-N 2.82Å; I235-T239 PolarHBondContact O-OG1 3.22Å |
| 236 | G | 89.9 | Confident | 89 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E232 L233 T239 G240 T241 F242 | E232-G236 PolarHBondContact O-N 3.46Å; L233-G236 PolarHBondContact O-N 2.88Å; G236-T239 WeakPolarHBondContact CA-OG1 3.43Å; G236-T239 PolarHBondContact O-OG1 2.84Å; G236-G240 PolarHBondContact O-N 3.04Å; G236-T241 PolarHBondContact O-N 3.49Å; G236-F242 VanDerWaalsContact CA-CD2 3.42Å; G236-F242 PolarHBondContact O-N 3.49Å |
| 237 | L | 90.2 | Very high | 89.4 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.8 | -41 | 172.9 | -72.6 | 168.7 | 0 | 0 | 0 | 112.1 | L233 K234 I235 G240 F242 Q244 V296 L354 | L233-L237 WeakPolarHBondContact O-CB 3.22Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.85Å; K234-L237 PolarHBondContact O-N 3.05Å; I235-L237 PolarHBondContact O-N 2.83Å; L237-G240 PolarHBondContact O-N 2.94Å; L237-F242 HydrophobicContact CD2-CB 4.16Å; L237-F242 HydrophobicContact CG-CB 4.43Å; L237-Q244 HydrophobicContact CD2-CB 3.96Å; L237-V296 HydrophobicContact CD1-CG2 4.16Å; L237-V296 HydrophobicContact CD2-CG1 4.1Å; L237-V296 HydrophobicContact CG-CG1 4.3Å; L237-L354 HydrophobicContact CD1-CD1 4.46Å |
| 238 | S | 88.5 | Confident | 89.5 | Confident | 99 Ų | 99 | 64.6 Ų | 64.6 | 69% | 0.692 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -72.5 | -32.6 | -179.8 | 67.5 | 0 | 0 | 0 | 0 | 113.3 | K234 I235 G240 | K234-S238 WeakPolarHBondContact O-CB 3.27Å; K234-S238 PolarHBondContact O-N 3.32Å; K234-S238 PolarHBondContact O-OG 2.68Å; I235-S238 PolarHBondContact O-N 2.67Å; I235-S238 PolarHBondContact O-OG 3.27Å; S238-G240 VanDerWaalsContact C-N 3.25Å |
| 239 | T | 90 | Very high | 89.7 | Confident | 91 Ų | 91 | 62.7 Ų | 62.7 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.9 | 173.7 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | I235 G236 T241 | I235-T239 HydrophobicContact CG2-CG2 4.33Å; I235-T239 WeakPolarHBondContact O-CB 3.47Å; I235-T239 VanDerWaalsContact O-CG2 3.26Å; I235-T239 WeakPolarHBondContact O-CG2 3.44Å; I235-T239 PolarHBondContact O-N 2.82Å; I235-T239 PolarHBondContact O-OG1 3.22Å; G236-T239 WeakPolarHBondContact CA-OG1 3.43Å; G236-T239 PolarHBondContact O-OG1 2.84Å; T239-T241 PolarHBondContact O-N 3.47Å; T239-T241 PolarHBondContact OG1-OG1 2.89Å |
| 240 | G | 85.6 | Confident | 89.8 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 3.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | G236 L237 S238 F242 | G236-G240 PolarHBondContact O-N 3.04Å; L237-G240 PolarHBondContact O-N 2.94Å; S238-G240 VanDerWaalsContact C-N 3.25Å; G240-F242 PolarHBondContact O-N 3.43Å |
| 241 | T | 89.1 | Confident | 89.6 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -63.5 | -33.2 | 175.5 | -47.4 | 0 | 0 | 0 | 0 | 111.5 | G236 T239 | G236-T241 PolarHBondContact O-N 3.49Å; T239-T241 PolarHBondContact O-N 3.47Å; T239-T241 PolarHBondContact OG1-OG1 2.89Å |
| 242 | F | 94 | Very high | 89.5 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 10% | 0.096 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 155.4 | 176.6 | -55 | -32.3 | 0 | 0 | 0 | 111.8 | L228 L233 G236 L237 G240 V296 V297 E298 V351 | L228-F242 HydrophobicContact CD1-CE2 3.68Å; L228-F242 HydrophobicContact CD1-CZ 3.54Å; L233-F242 HydrophobicContact CD2-CD2 4.47Å; L233-F242 HydrophobicContact CD2-CE2 4.49Å; G236-F242 VanDerWaalsContact CA-CD2 3.42Å; G236-F242 PolarHBondContact O-N 3.49Å; L237-F242 HydrophobicContact CD2-CB 4.16Å; L237-F242 HydrophobicContact CG-CB 4.43Å; G240-F242 PolarHBondContact O-N 3.43Å; F242-V296 HydrophobicContact CB-CG1 3.46Å; F242-V296 VanDerWaalsContact CB-CG1 3.46Å; F242-V296 HydrophobicContact CD2-CG1 3.93Å; F242-V296 HydrophobicContact CG-CG1 3.89Å; F242-V297 WeakPolarHBondContact CA-O 3.31Å; F242-E298 HydrophobicContact CD1-CB 3.88Å; F242-E298 HydrophobicContact CD1-CG 4.19Å; F242-E298 HydrophobicContact CE1-CB 3.93Å; F242-E298 HydrophobicContact CE1-CG 3.97Å; F242-V351 HydrophobicContact CD1-CG2 4.34Å; F242-V351 HydrophobicContact CD2-CG2 4.39Å; F242-V351 HydrophobicContact CE1-CG2 4.34Å; F242-V351 HydrophobicContact CE2-CG2 4.4Å; F242-V351 HydrophobicContact CG-CG2 4.4Å; F242-V351 HydrophobicContact CZ-CG2 4.38Å |
| 243 | R | 92.7 | Very high | 89.3 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.2 | 170.8 | -55.2 | -63 | -164.9 | 179.1 | 2.7 | 109.7 | I261 I270 V296 V297 V299 | R243-I261 HydrophobicContact CB-CD1 3.9Å; R243-I261 HydrophobicContact CB-CG2 4.42Å; R243-I270 HydrophobicContact CB-CD1 3.91Å; R243-I270 HydrophobicContact CG-CD1 3.83Å; R243-V296 CarbonylContact O-C 3.34Å; R243-V296 WeakPolarHBondContact O-CA 3.43Å; R243-V297 HydrophobicContact CB-CG2 4.04Å; R243-V297 PolarHBondContact N-O 3.04Å; R243-V297 WeakPolarHBondContact O-CG2 3.37Å; R243-V297 PolarHBondContact O-N 2.95Å; R243-V299 HydrophobicContact CG-CG2 4.33Å |
| 244 | Q | 93.7 | Very high | 89 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 34% | 0.341 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 146.5 | 171.4 | 80.3 | 179.3 | 7.1 | 0 | 0 | 110.7 | L237 I261 T262 V295 L354 | L237-Q244 HydrophobicContact CD2-CB 3.96Å; Q244-I261 WeakPolarHBondContact O-CA 3.49Å; Q244-T262 PolarHBondContact O-N 3.36Å; Q244-T262 VanDerWaalsContact O-N 3.08Å; Q244-V295 VanDerWaalsContact CA-O 3.31Å; Q244-V295 WeakPolarHBondContact CA-O 3.27Å; Q244-L354 HydrophobicContact CB-CD1 4.09Å; Q244-L354 VanDerWaalsContact OE1-CD1 3.31Å |
| 245 | G | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y260 V294 V295 | G245-Y260 CarbonylContact C-O 3.58Å; G245-Y260 WeakPolarHBondContact CA-O 3.24Å; G245-V294 WeakPolarHBondContact O-CA 3.34Å; G245-V295 PolarHBondContact N-O 3.34Å; G245-V295 PolarHBondContact O-N 3.06Å |
| 246 | T | 92.3 | Very high | 88.9 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.4 | 177.5 | -56 | 0 | 0 | 0 | 0 | 110.3 | M248 V259 Y260 D293 | T246-M248 HydrophobicContact CG2-CG 4.34Å; T246-V259 WeakPolarHBondContact O-CA 3.04Å; T246-Y260 PolarHBondContact N-O 3.45Å; T246-Y260 PolarHBondContact O-N 3.18Å; T246-D293 WeakPolarHBondContact CA-O 3.32Å |
| 247 | F | 94.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 117.5 | 178.7 | -174.6 | -97.8 | 0 | 0 | 0 | 110.8 | V249 A257 V259 V272 C286 A289 I290 N292 D293 V295 V350 | F247-V249 HydrophobicContact CD1-CG2 4.16Å; F247-V249 HydrophobicContact CE1-CG2 3.55Å; F247-V249 HydrophobicContact CZ-CG2 4.38Å; F247-A257 HydrophobicContact CD1-CB 4.43Å; F247-A257 HydrophobicContact CD2-CB 4Å; F247-A257 HydrophobicContact CE1-CB 3.85Å; F247-A257 HydrophobicContact CE2-CB 3.32Å; F247-A257 HydrophobicContact CG-CB 4.5Å; F247-A257 HydrophobicContact CZ-CB 3.24Å; F247-V259 HydrophobicContact CB-CG2 4.35Å; F247-V259 HydrophobicContact CD2-CG2 3.67Å; F247-V259 HydrophobicContact CG-CG2 4.47Å; F247-V272 HydrophobicContact CE2-CB 4.27Å; F247-V272 HydrophobicContact CE2-CG1 4.25Å; F247-V272 HydrophobicContact CE2-CG2 4.48Å; F247-C286 HydrophobicContact CE2-CB 4.41Å; F247-C286 HydrophobicContact CZ-CB 3.98Å; F247-A289 HydrophobicContact CD1-CB 3.99Å; F247-A289 HydrophobicContact CD2-CB 4.23Å; F247-A289 HydrophobicContact CE1-CB 4.05Å; F247-A289 HydrophobicContact CE2-CB 4.32Å; F247-A289 HydrophobicContact CG-CB 4.08Å; F247-A289 HydrophobicContact CZ-CB 4.23Å; F247-I290 WeakPolarHBondContact CD1-O 3.44Å; F247-N292 WeakPolarHBondContact O-CA 3.31Å; F247-N292 PolarHBondContact O-N 3.45Å; F247-D293 PolarHBondContact N-O 3.36Å; F247-V295 HydrophobicContact CB-CG1 3.84Å; F247-V295 HydrophobicContact CB-CG2 3.95Å; F247-V295 HydrophobicContact CD2-CG2 4.48Å; F247-V295 HydrophobicContact CG-CG1 4.49Å; F247-V350 HydrophobicContact CD2-CG2 4.12Å; F247-V350 HydrophobicContact CE2-CG2 4.11Å |
| 248 | M | 91.3 | Very high | 89.2 | Confident | 71 Ų | 71 | 46.9 Ų | 46.9 | 35% | 0.35 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 113.7 | 178.9 | -64 | -150 | -74.3 | 0 | 0 | 110.8 | T246 A257 N258 Y260 N291 | T246-M248 HydrophobicContact CG2-CG 4.34Å; M248-A257 CarbonylContact O-C 3.07Å; M248-A257 WeakPolarHBondContact O-CA 3.36Å; M248-A257 WeakPolarHBondContact O-CB 3.45Å; M248-N258 PolarHBondContact N-O 3.03Å; M248-N258 PolarHBondContact O-N 3.28Å; M248-Y260 HydrophobicContact CB-CD2 4.33Å; M248-Y260 HydrophobicContact CB-CE2 4.08Å; M248-Y260 HydrophobicContact CE-CD1 4.33Å; M248-Y260 HydrophobicContact CE-CD2 3.26Å; M248-Y260 HydrophobicContact CE-CE1 4.12Å; M248-Y260 HydrophobicContact CE-CE2 3Å; M248-Y260 HydrophobicContact CE-CG 3.93Å; M248-Y260 VanDerWaalsContact CE-CZ 3.46Å; M248-Y260 HydrophobicContact CG-CD2 4.12Å; M248-Y260 HydrophobicContact CG-CE2 4.23Å; M248-Y260 HydrophobicContact SD-CD2 4.48Å; M248-Y260 HydrophobicContact SD-CE2 4.4Å; M248-N291 WeakPolarHBondContact CA-OD1 3.4Å |
| 249 | V | 91.6 | Very high | 89.4 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.8 | 178.1 | -179 | 0 | 0 | 0 | 0 | 109.4 | F247 N291 R383 | F247-V249 HydrophobicContact CD1-CG2 4.16Å; F247-V249 HydrophobicContact CE1-CG2 3.55Å; F247-V249 HydrophobicContact CZ-CG2 4.38Å; V249-N291 HydrophobicContact CB-CB 4.38Å; V249-N291 HydrophobicContact CG2-CB 3.96Å; V249-N291 PolarHBondContact N-OD1 2.86Å; V249-R383 HydrophobicContact CB-CB 4.07Å; V249-R383 HydrophobicContact CB-CG 4.24Å; V249-R383 HydrophobicContact CG1-CB 4.25Å; V249-R383 HydrophobicContact CG1-CG 4.3Å |
| 250 | A | 86.6 | Confident | 89.4 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | trans | -68 | 139.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D252 E256 | A250-D252 VanDerWaalsContact C-N 3.3Å; A250-D252 PolarHBondContact O-N 3.32Å; A250-E256 HydrophobicContact CB-CB 4.06Å; A250-E256 WeakPolarHBondContact CB-O 3.47Å; A250-E256 PolarHBondContact N-O 3.06Å | ||
| 251 | R | 80 | Confident | 89.5 | Confident | 156 Ų | 156 | 40.4 Ų | 40.4 | 59% | 0.589 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -74.1 | -25.2 | -177.8 | -68.3 | -176.1 | 179 | -160.3 | -3.9 | 112.7 | L314 | R251-L314 WeakPolarHBondContact O-CD2 3.46Š|
| 252 | D | 79.4 | Confident | 89.1 | Confident | 57 Ų | 57 | 40 Ų | 40 | 31% | 0.305 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -96.2 | -16.2 | -178 | 55.7 | -28.8 | 0 | 0 | 0 | 113 | A250 L312 R313 R863 | A250-D252 VanDerWaalsContact C-N 3.3Å; A250-D252 PolarHBondContact O-N 3.32Å; D252-L312 HydrophobicContact CB-CD1 3.61Å; D252-L312 WeakPolarHBondContact O-CD1 3.16Å; D252-R313 CarbonylContact O-C 3.54Å; D252-R313 PolarHBondContact O-N 2.76Å; D252-R863 IonicContact OD2-NH2 2.68Å |
| 253 | N | 85.6 | Confident | 87.8 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -147.2 | 105.1 | 176.3 | -171.1 | -9.8 | 0 | 0 | 0 | 111.2 | L255 E256 R313 | N253-L255 PolarHBondContact O-N 3.43Å; N253-L255 VanDerWaalsContact O-N 3.09Å; N253-L255 WeakPolarHBondContact OD1-CB 3.45Å; N253-L255 PolarHBondContact OD1-N 3.21Å; N253-L255 VanDerWaalsContact OD1-N 3.09Å; N253-E256 HydrophobicContact CB-CB 4.12Å; N253-E256 HydrophobicContact CB-CG 4.14Å; N253-E256 WeakPolarHBondContact ND2-CG 3.27Å; N253-E256 PolarHBondContact ND2-OE1 3.21Å; N253-E256 PolarHBondContact O-N 2.93Å; N253-R313 VanDerWaalsContact CA-O 3.26Å; N253-R313 WeakPolarHBondContact CA-O 3.45Å; N253-R313 HydrophobicContact CB-CB 4.46Å |
| 254 | Y | 84.5 | Confident | 86.1 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.6 | -178.3 | 80.1 | -87.2 | 0 | 0 | 0 | 113.7 | E256 R313 Q315 E318 | Y254-E256 VanDerWaalsContact C-N 3.32Å; Y254-R313 WeakPolarHBondContact CD1-O 3.3Å; Y254-R313 PolarHBondContact N-O 2.86Å; Y254-Q315 HydrophobicContact CD1-CB 3.91Å; Y254-Q315 HydrophobicContact CD2-CB 4.44Å; Y254-Q315 HydrophobicContact CE1-CB 4.45Å; Y254-Q315 HydrophobicContact CG-CB 3.93Å; Y254-E318 HydrophobicContact CE1-CG 4.3Å; Y254-E318 WeakPolarHBondContact CE1-OE1 3.49Å; Y254-E318 VanDerWaalsContact CZ-OE1 3.24Å; Y254-E318 PolarHBondContact OH-OE1 2.94Å; Y254-E318 PolarHBondContact OH-OE2 2.92Å |
| 255 | L | 86.4 | Confident | 84 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -3 | 175 | -63.2 | 174.3 | 0 | 0 | 0 | 113.1 | N253 Q273 A274 Y275 L333 | N253-L255 PolarHBondContact O-N 3.43Å; N253-L255 VanDerWaalsContact O-N 3.09Å; N253-L255 WeakPolarHBondContact OD1-CB 3.45Å; N253-L255 PolarHBondContact OD1-N 3.21Å; N253-L255 VanDerWaalsContact OD1-N 3.09Å; L255-Q273 PolarHBondContact O-OE1 3.18Å; L255-A274 HydrophobicContact CB-CB 4.09Å; L255-A274 HydrophobicContact CD2-CB 4.09Å; L255-A274 WeakPolarHBondContact O-CB 3.34Å; L255-A274 PolarHBondContact O-N 2.85Å; L255-Y275 HydrophobicContact CD1-CD2 4.17Å; L255-Y275 HydrophobicContact CD1-CE2 3.89Å; L255-Y275 HydrophobicContact CD2-CD2 4.39Å; L255-Y275 HydrophobicContact CD2-CE2 3.78Å; L255-Y275 HydrophobicContact CG-CE2 4.41Å; L255-L333 HydrophobicContact CD1-CD1 4.34Å; L255-L333 HydrophobicContact CD1-CD2 4.21Å |
| 256 | E | 90.3 | Very high | 82.3 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 144.1 | -180 | -70.5 | 179.5 | -169.6 | 0 | 0 | 110.8 | A250 N253 Y254 F271 Q273 A309 | A250-E256 HydrophobicContact CB-CB 4.06Å; A250-E256 WeakPolarHBondContact CB-O 3.47Å; A250-E256 PolarHBondContact N-O 3.06Å; N253-E256 HydrophobicContact CB-CB 4.12Å; N253-E256 HydrophobicContact CB-CG 4.14Å; N253-E256 WeakPolarHBondContact ND2-CG 3.27Å; N253-E256 PolarHBondContact ND2-OE1 3.21Å; N253-E256 PolarHBondContact O-N 2.93Å; Y254-E256 VanDerWaalsContact C-N 3.32Å; E256-F271 HydrophobicContact CB-CE2 3.95Å; E256-F271 HydrophobicContact CB-CZ 4.18Å; E256-F271 HydrophobicContact CG-CE2 4.02Å; E256-F271 HydrophobicContact CG-CZ 3.73Å; E256-Q273 PolarHBondContact OE1-NE2 2.91Å; E256-A309 WeakPolarHBondContact OE1-CB 3.46Å; E256-A309 PolarHBondContact OE1-N 2.88Å |
| 257 | A | 92.2 | Very high | 81 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 162.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F247 M248 F271 V272 | F247-A257 HydrophobicContact CD1-CB 4.43Å; F247-A257 HydrophobicContact CD2-CB 4Å; F247-A257 HydrophobicContact CE1-CB 3.85Å; F247-A257 HydrophobicContact CE2-CB 3.32Å; F247-A257 HydrophobicContact CG-CB 4.5Å; F247-A257 HydrophobicContact CZ-CB 3.24Å; M248-A257 CarbonylContact O-C 3.07Å; M248-A257 WeakPolarHBondContact O-CA 3.36Å; M248-A257 WeakPolarHBondContact O-CB 3.45Å; A257-F271 WeakPolarHBondContact O-CD2 3.47Å; A257-V272 HydrophobicContact CB-CB 4.4Å; A257-V272 PolarHBondContact N-O 2.79Å; A257-V272 PolarHBondContact O-N 3.3Å |
| 258 | N | 92.9 | Very high | 80.3 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.6 | 169.9 | -66.5 | -91.8 | 0 | 0 | 0 | 108.7 | M248 Y260 K269 I270 | M248-N258 PolarHBondContact N-O 3.03Å; M248-N258 PolarHBondContact O-N 3.28Å; N258-Y260 HydrophobicContact CB-CD2 4.21Å; N258-Y260 HydrophobicContact CB-CE2 3.58Å; N258-K269 HydrophobicContact CB-CD 4.34Å; N258-I270 WeakPolarHBondContact CA-O 3.46Å |
| 259 | V | 93.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 111.5 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | T246 F247 I261 K269 I270 V272 V295 V297 | T246-V259 WeakPolarHBondContact O-CA 3.04Å; F247-V259 HydrophobicContact CB-CG2 4.35Å; F247-V259 HydrophobicContact CD2-CG2 3.67Å; F247-V259 HydrophobicContact CG-CG2 4.47Å; V259-I261 HydrophobicContact CG1-CD1 4.07Å; V259-K269 CarbonylContact O-C 3.49Å; V259-K269 VanDerWaalsContact O-CA 3.24Å; V259-K269 WeakPolarHBondContact O-CA 3.17Å; V259-I270 PolarHBondContact N-O 2.76Å; V259-I270 PolarHBondContact O-N 3.27Å; V259-V272 HydrophobicContact CG2-CG2 3.79Å; V259-V295 HydrophobicContact CB-CG2 4.41Å; V259-V295 HydrophobicContact CG1-CG2 3.71Å; V259-V295 HydrophobicContact CG2-CG2 3.72Å; V259-V297 HydrophobicContact CB-CG1 4.18Å; V259-V297 HydrophobicContact CG1-CG1 4.11Å; V259-V297 HydrophobicContact CG1-CG2 4.16Å; V259-V297 HydrophobicContact CG2-CG1 3.74Å |
| 260 | Y | 89.6 | Confident | 80.1 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 29% | 0.286 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 116.2 | -178.7 | -70.6 | -100.9 | 0 | 0 | 0 | 109.8 | G245 T246 M248 N258 T262 K269 | G245-Y260 CarbonylContact C-O 3.58Å; G245-Y260 WeakPolarHBondContact CA-O 3.24Å; T246-Y260 PolarHBondContact N-O 3.45Å; T246-Y260 PolarHBondContact O-N 3.18Å; M248-Y260 HydrophobicContact CB-CD2 4.33Å; M248-Y260 HydrophobicContact CB-CE2 4.08Å; M248-Y260 HydrophobicContact CE-CD1 4.33Å; M248-Y260 HydrophobicContact CE-CD2 3.26Å; M248-Y260 HydrophobicContact CE-CE1 4.12Å; M248-Y260 HydrophobicContact CE-CE2 3Å; M248-Y260 HydrophobicContact CE-CG 3.93Å; M248-Y260 VanDerWaalsContact CE-CZ 3.46Å; M248-Y260 HydrophobicContact CG-CD2 4.12Å; M248-Y260 HydrophobicContact CG-CE2 4.23Å; M248-Y260 HydrophobicContact SD-CD2 4.48Å; M248-Y260 HydrophobicContact SD-CE2 4.4Å; N258-Y260 HydrophobicContact CB-CD2 4.21Å; N258-Y260 HydrophobicContact CB-CE2 3.58Å; Y260-T262 PolarHBondContact O-N 3.42Å; Y260-K269 HydrophobicContact CD1-CB 4.21Å; Y260-K269 HydrophobicContact CE1-CB 4.33Å; Y260-K269 HydrophobicContact CE1-CD 4.26Å; Y260-K269 HydrophobicContact CG-CB 4.46Å |
| 261 | I | 88.9 | Confident | 80.4 | Confident | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.3 | -167 | -52.1 | -48.9 | 0 | 0 | 0 | 110.8 | R243 Q244 V259 G263 S264 E268 I270 V297 | R243-I261 HydrophobicContact CB-CD1 3.9Å; R243-I261 HydrophobicContact CB-CG2 4.42Å; Q244-I261 WeakPolarHBondContact O-CA 3.49Å; V259-I261 HydrophobicContact CG1-CD1 4.07Å; I261-G263 PolarHBondContact O-N 2.72Å; I261-S264 PolarHBondContact O-N 3.07Å; I261-S264 PolarHBondContact O-OG 2.71Å; I261-E268 HydrophobicContact CB-CB 4.28Å; I261-E268 HydrophobicContact CG1-CB 4.31Å; I261-E268 HydrophobicContact CG1-CG 4.08Å; I261-E268 PolarHBondContact N-O 2.87Å; I261-I270 HydrophobicContact CD1-CD1 3.74Å; I261-I270 HydrophobicContact CD1-CG1 4.02Å; I261-I270 HydrophobicContact CG1-CD1 4.4Å; I261-I270 HydrophobicContact CG1-CG1 4.42Å; I261-V297 HydrophobicContact CD1-CG2 4.48Å |
| 262 | T | 79.1 | Confident | 80.9 | Confident | 76 Ų | 76 | 48.5 Ų | 48.5 | 47% | 0.466 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 130.2 | -178.2 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | Q244 Y260 S264 | Q244-T262 PolarHBondContact O-N 3.36Å; Q244-T262 VanDerWaalsContact O-N 3.08Å; Y260-T262 PolarHBondContact O-N 3.42Å; T262-S264 VanDerWaalsContact C-N 3.31Å |
| 263 | G | 67.5 | Low | 81.3 | Confident | 78 Ų | 78 | 45.9 Ų | 45.9 | 80% | 0.804 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -2.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | I261 Q265 | I261-G263 PolarHBondContact O-N 2.72Å; G263-Q265 PolarHBondContact O-N 3.46Å |
| 264 | S | 57.2 | Low | 81.1 | Confident | 36 Ų | 36 | 46 Ų | 46 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | trans | -70.5 | 126.7 | 170.8 | 72.8 | 0 | 0 | 0 | 0 | 110 | I261 T262 T266 E268 | I261-S264 PolarHBondContact O-N 3.07Å; I261-S264 PolarHBondContact O-OG 2.71Å; T262-S264 VanDerWaalsContact C-N 3.31Å; S264-T266 PolarHBondContact O-N 3.28Å; S264-E268 PolarHBondContact OG-N 2.99Å | ||
| 265 | Q | 48.8 | Very low | 80.8 | Confident | 190 Ų | 190 | 45.1 Ų | 45.1 | 89% | 0.888 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -19.1 | 173.1 | -66.2 | -173.9 | -1 | 0 | 0 | 112 | G263 | G263-Q265 PolarHBondContact O-N 3.46Š|
| 266 | T | 56 | Low | 80 | Confident | 111 Ų | 111 | 45.2 Ų | 45.2 | 68% | 0.681 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 10.4 | -171 | 48.5 | 0 | 0 | 0 | 0 | 114.1 | S264 E268 | S264-T266 PolarHBondContact O-N 3.28Å; T266-E268 PolarHBondContact O-N 2.74Å |
| 267 | E | 65.9 | Low | 78.8 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | trans | 50.7 | 42.2 | -169.3 | -60.9 | -177 | 156.4 | 0 | 0 | 111.6 | K269 R702 | E267-K269 PolarHBondContact O-N 3.44Å; E267-R702 VanDerWaalsContact CD-NH2 3.32Å; E267-R702 IonicContact OE1-NH2 3.05Å; E267-R702 PolarHBondContact OE1-NH2 2.77Å; E267-R702 IonicContact OE2-CZ 3.85Å; E267-R702 IonicContact OE2-NE 2.79Å; E267-R702 IonicContact OE2-NH2 3.62Å; E267-R702 PolarHBondContact OE2-NH2 3.27Å | ||
| 268 | E | 79.6 | Confident | 77.2 | Confident | 80 Ų | 80 | 53.4 Ų | 53.4 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | trans | -54.8 | 131.8 | 176.5 | -174.4 | -174.1 | 169.9 | 0 | 0 | 109 | I261 S264 T266 | I261-E268 HydrophobicContact CB-CB 4.28Å; I261-E268 HydrophobicContact CG1-CB 4.31Å; I261-E268 HydrophobicContact CG1-CG 4.08Å; I261-E268 PolarHBondContact N-O 2.87Å; S264-E268 PolarHBondContact OG-N 2.99Å; T266-E268 PolarHBondContact O-N 2.74Å | ||
| 269 | K | 87.8 | Confident | 75.5 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.8 | 179.6 | 65.8 | 179.7 | -175.1 | 167.4 | 0 | 111 | N258 V259 Y260 E267 | N258-K269 HydrophobicContact CB-CD 4.34Å; V259-K269 CarbonylContact O-C 3.49Å; V259-K269 VanDerWaalsContact O-CA 3.24Å; V259-K269 WeakPolarHBondContact O-CA 3.17Å; Y260-K269 HydrophobicContact CD1-CB 4.21Å; Y260-K269 HydrophobicContact CE1-CB 4.33Å; Y260-K269 HydrophobicContact CE1-CD 4.26Å; Y260-K269 HydrophobicContact CG-CB 4.46Å; E267-K269 PolarHBondContact O-N 3.44Å |
| 270 | I | 91 | Very high | 73.6 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.1 | 171.1 | -67.4 | 170.8 | 0 | 0 | 0 | 107.6 | R243 N258 V259 I261 V297 V299 | R243-I270 HydrophobicContact CB-CD1 3.91Å; R243-I270 HydrophobicContact CG-CD1 3.83Å; N258-I270 WeakPolarHBondContact CA-O 3.46Å; V259-I270 PolarHBondContact N-O 2.76Å; V259-I270 PolarHBondContact O-N 3.27Å; I261-I270 HydrophobicContact CD1-CD1 3.74Å; I261-I270 HydrophobicContact CD1-CG1 4.02Å; I261-I270 HydrophobicContact CG1-CD1 4.4Å; I261-I270 HydrophobicContact CG1-CG1 4.42Å; I270-V297 HydrophobicContact CB-CG2 4.4Å; I270-V297 HydrophobicContact CD1-CG2 3.52Å; I270-V297 HydrophobicContact CG2-CG2 4.44Å; I270-V299 HydrophobicContact CD1-CG2 3.49Å; I270-V299 VanDerWaalsContact CD1-CG2 3.49Å; I270-V299 HydrophobicContact CG1-CG2 4.37Å |
| 271 | F | 92.5 | Very high | 72 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139 | 175.4 | -176.9 | -124.1 | 0 | 0 | 0 | 110.1 | E256 A257 Q273 S306 P308 V345 P346 T347 G348 | E256-F271 HydrophobicContact CB-CE2 3.95Å; E256-F271 HydrophobicContact CB-CZ 4.18Å; E256-F271 HydrophobicContact CG-CE2 4.02Å; E256-F271 HydrophobicContact CG-CZ 3.73Å; A257-F271 WeakPolarHBondContact O-CD2 3.47Å; F271-Q273 HydrophobicContact CD1-CB 4.43Å; F271-Q273 HydrophobicContact CE1-CB 3.76Å; F271-Q273 HydrophobicContact CZ-CB 4.17Å; F271-S306 WeakPolarHBondContact CD1-OG 3.22Å; F271-S306 VanDerWaalsContact CE1-OG 3.24Å; F271-S306 WeakPolarHBondContact CE1-OG 3.24Å; F271-P308 HydrophobicContact CD2-CG 4.47Å; F271-P308 HydrophobicContact CE2-CB 4.46Å; F271-P308 HydrophobicContact CE2-CG 4.08Å; F271-P308 HydrophobicContact CZ-CB 4.36Å; F271-P308 HydrophobicContact CZ-CG 4.2Å; F271-V345 HydrophobicContact CB-CG2 3.64Å; F271-V345 HydrophobicContact CD1-CG2 4.03Å; F271-V345 HydrophobicContact CG-CG2 3.98Å; F271-P346 PolarHBondContact N-O 3.35Å; F271-T347 HydrophobicContact CD1-CG2 4.41Å; F271-T347 CarbonylContact O-C 3.54Å; F271-T347 VanDerWaalsContact O-CA 3.23Å; F271-T347 WeakPolarHBondContact O-CA 3.1Å; F271-G348 PolarHBondContact O-N 3.03Å |
| 272 | V | 90.9 | Very high | 70.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 107.5 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | F247 A257 V259 N285 C286 | F247-V272 HydrophobicContact CE2-CB 4.27Å; F247-V272 HydrophobicContact CE2-CG1 4.25Å; F247-V272 HydrophobicContact CE2-CG2 4.48Å; A257-V272 HydrophobicContact CB-CB 4.4Å; A257-V272 PolarHBondContact N-O 2.79Å; A257-V272 PolarHBondContact O-N 3.3Å; V259-V272 HydrophobicContact CG2-CG2 3.79Å; V272-N285 HydrophobicContact CG1-CB 4.04Å; V272-C286 HydrophobicContact CG1-CB 4.44Å |
| 273 | Q | 87.4 | Confident | 69.5 | Low | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.7 | 172.3 | 178.6 | 63.4 | -94.1 | 0 | 0 | 108.4 | L255 E256 F271 Y275 N285 V337 | L255-Q273 PolarHBondContact O-OE1 3.18Å; E256-Q273 PolarHBondContact OE1-NE2 2.91Å; F271-Q273 HydrophobicContact CD1-CB 4.43Å; F271-Q273 HydrophobicContact CE1-CB 3.76Å; F271-Q273 HydrophobicContact CZ-CB 4.17Å; Q273-Y275 VanDerWaalsContact C-N 3.28Å; Q273-Y275 WeakPolarHBondContact CG-O 3.38Å; Q273-Y275 PolarHBondContact O-N 3.06Å; Q273-N285 VanDerWaalsContact O-CB 3.26Å; Q273-N285 WeakPolarHBondContact O-CB 3.5Å; Q273-N285 PolarHBondContact O-ND2 2.99Å; Q273-V337 HydrophobicContact CG-CG1 4.05Å; Q273-V337 HydrophobicContact CG-CG2 3.83Å |
| 274 | A | 82.2 | Confident | 70 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -54.4 | -44.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L255 L284 N285 C286 | L255-A274 HydrophobicContact CB-CB 4.09Å; L255-A274 HydrophobicContact CD2-CB 4.09Å; L255-A274 WeakPolarHBondContact O-CB 3.34Å; L255-A274 PolarHBondContact O-N 2.85Å; A274-L284 HydrophobicContact CB-CD2 4.26Å; A274-L284 CarbonylContact O-C 3.49Å; A274-L284 WeakPolarHBondContact O-CA 3.09Å; A274-N285 PolarHBondContact O-N 3.27Å; A274-C286 VanDerWaalsContact CA-SG 3.6Å |
| 275 | Y | 77.3 | Confident | 71.3 | Confident | 31 Ų | 31 | 53 Ų | 53 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | trans | -101 | 128.1 | 178.3 | -65 | -89.2 | 0 | 0 | 0 | 111.1 | L255 Q273 L284 D330 L333 R334 | L255-Y275 HydrophobicContact CD1-CD2 4.17Å; L255-Y275 HydrophobicContact CD1-CE2 3.89Å; L255-Y275 HydrophobicContact CD2-CD2 4.39Å; L255-Y275 HydrophobicContact CD2-CE2 3.78Å; L255-Y275 HydrophobicContact CG-CE2 4.41Å; Q273-Y275 VanDerWaalsContact C-N 3.28Å; Q273-Y275 WeakPolarHBondContact CG-O 3.38Å; Q273-Y275 PolarHBondContact O-N 3.06Å; Y275-L284 HydrophobicContact CD1-CD2 3.73Å; Y275-L284 HydrophobicContact CD2-CD2 4.1Å; Y275-L284 HydrophobicContact CE1-CD2 3.44Å; Y275-L284 VanDerWaalsContact CE1-CD2 3.44Å; Y275-L284 HydrophobicContact CE2-CD2 3.83Å; Y275-L284 HydrophobicContact CG-CD2 4.06Å; Y275-L284 VanDerWaalsContact CZ-CD2 3.49Å; Y275-D330 VanDerWaalsContact CD1-OD1 3.29Å; Y275-D330 WeakPolarHBondContact CD1-OD1 3.4Å; Y275-D330 HydrophobicContact CE1-CB 4.4Å; Y275-D330 WeakPolarHBondContact CE1-OD1 3.31Å; Y275-L333 HydrophobicContact CD1-CB 4.41Å; Y275-L333 HydrophobicContact CD2-CB 3.99Å; Y275-L333 HydrophobicContact CD2-CD1 4.18Å; Y275-L333 HydrophobicContact CE1-CD1 4.22Å; Y275-L333 HydrophobicContact CE2-CB 4.13Å; Y275-L333 HydrophobicContact CE2-CD1 3.46Å; Y275-L333 VanDerWaalsContact CE2-CD1 3.46Å; Y275-L333 HydrophobicContact CE2-CG 4.39Å; Y275-L333 HydrophobicContact CG-CB 4.14Å; Y275-L333 VanDerWaalsContact CZ-CD1 3.48Å; Y275-R334 HydrophobicContact CD1-CG 4.25Å | ||
| 276 | C | 70.2 | Confident | 73.2 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 10% | 0.095 | 24% | 0.241 | C | C | . | . | trans | -117.4 | 155 | 171 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | S278 L279 N285 | C276-S278 VanDerWaalsContact C-N 3.35Å; C276-S278 PolarHBondContact SG-OG 3.28Å; C276-L279 HydrophobicContact CB-CB 4.49Å; C276-L279 HydrophobicContact CB-CD1 3.85Å; C276-L279 HydrophobicContact CB-CG 4.08Å; C276-N285 WeakPolarHBondContact CB-ND2 3.47Å | ||
| 277 | I | 64.4 | Low | 74.8 | Confident | 117 Ų | 117 | 39.8 Ų | 39.8 | 60% | 0.6 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -67.4 | -36.8 | 177.7 | -54.5 | 170.7 | 0 | 0 | 0 | 110.8 | A338 | I277-A338 HydrophobicContact CD1-CB 3.61Å; I277-A338 HydrophobicContact CG1-CB 4.13Å |
| 278 | S | 59.6 | Low | 76 | Confident | 63 Ų | 63 | 36.1 Ų | 36.1 | 44% | 0.441 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -77.6 | -19.4 | -175.8 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | C276 E304 | C276-S278 VanDerWaalsContact C-N 3.35Å; C276-S278 PolarHBondContact SG-OG 3.28Å; S278-E304 WeakPolarHBondContact CB-OE2 3.32Å; S278-E304 PolarHBondContact OG-OE2 3.41Å |
| 279 | L | 56 | Low | 76.7 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -71.9 | 143.3 | -174.7 | -83 | 169.1 | 0 | 0 | 0 | 112.2 | C276 L283 N285 R334 | C276-L279 HydrophobicContact CB-CB 4.49Å; C276-L279 HydrophobicContact CB-CD1 3.85Å; C276-L279 HydrophobicContact CB-CG 4.08Å; L279-L283 HydrophobicContact CD2-CB 4.2Å; L279-N285 VanDerWaalsContact CD1-OD1 3.31Å; L279-N285 WeakPolarHBondContact CD1-OD1 3.5Å; L279-R334 PolarHBondContact O-NH1 2.9Å |
| 280 | A | 54 | Low | 76.8 | Confident | 61 Ų | 61 | 27.9 Ų | 27.9 | 50% | 0.504 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -54.5 | 150.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G282 L283 R334 | A280-G282 PolarHBondContact O-N 2.98Å; A280-L283 HydrophobicContact CB-CD1 4.24Å; A280-L283 PolarHBondContact O-N 3.35Å; A280-R334 PolarHBondContact O-NH2 3.4Å |
| 281 | K | 55.6 | Low | 76.9 | Confident | 143 Ų | 143 | 28 Ų | 28 | 62% | 0.622 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49 | 134.8 | 178.6 | -75.8 | -173.8 | 174.6 | -172.2 | 0 | 111 | L283 E327 R334 | K281-L283 PolarHBondContact O-N 3.4Å; K281-E327 IonicContact NZ-OE1 3.84Å; K281-E327 IonicContact NZ-OE2 2.72Å; K281-E327 PolarHBondContact NZ-OE2 2.97Å; K281-R334 VanDerWaalsContact CA-NH2 3.28Å |
| 282 | G | 56.4 | Low | 76.7 | Confident | 13 Ų | 13 | 31 Ų | 31 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -10.5 | 174 | 0 | 0 | 0 | 0 | 0 | 117.9 | A280 R334 | A280-G282 PolarHBondContact O-N 2.98Å; G282-R334 VanDerWaalsContact N-NH2 3.18Å |
| 283 | L | 58.7 | Low | 76.8 | Confident | 25 Ų | 25 | 31 Ų | 31 | 13% | 0.131 | 17% | 0.174 | C | C | . | . | trans | -87.6 | 139.6 | 178.6 | -65.1 | 178.7 | 0 | 0 | 0 | 112.6 | K223 R225 L279 A280 K281 | K223-L283 WeakPolarHBondContact O-CA 3.37Å; R225-L283 HydrophobicContact CG-CD1 3.89Å; R225-L283 HydrophobicContact CG-CD2 4.04Å; L279-L283 HydrophobicContact CD2-CB 4.2Å; A280-L283 HydrophobicContact CB-CD1 4.24Å; A280-L283 PolarHBondContact O-N 3.35Å; K281-L283 PolarHBondContact O-N 3.4Å | ||
| 284 | L | 78.5 | Confident | 77 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 20% | 0.204 | 18% | 0.183 | C | C | . | . | trans | -113.5 | 136.1 | 177.6 | -57 | -179.7 | 0 | 0 | 0 | 112.7 | F224 A274 Y275 C286 N287 | F224-L284 HydrophobicContact CD1-CB 4.38Å; F224-L284 HydrophobicContact CE1-CB 4.04Å; F224-L284 HydrophobicContact CE1-CD1 3.8Å; F224-L284 HydrophobicContact CE1-CG 4.21Å; F224-L284 HydrophobicContact CZ-CD1 4.22Å; A274-L284 HydrophobicContact CB-CD2 4.26Å; A274-L284 CarbonylContact O-C 3.49Å; A274-L284 WeakPolarHBondContact O-CA 3.09Å; Y275-L284 HydrophobicContact CD1-CD2 3.73Å; Y275-L284 HydrophobicContact CD2-CD2 4.1Å; Y275-L284 HydrophobicContact CE1-CD2 3.44Å; Y275-L284 VanDerWaalsContact CE1-CD2 3.44Å; Y275-L284 HydrophobicContact CE2-CD2 3.83Å; Y275-L284 HydrophobicContact CG-CD2 4.06Å; Y275-L284 VanDerWaalsContact CZ-CD2 3.49Å; L284-C286 VanDerWaalsContact C-N 3.34Å; L284-C286 PolarHBondContact O-N 2.86Å; L284-N287 PolarHBondContact O-N 3.04Å | ||
| 285 | N | 85.7 | Confident | 77.7 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -31.2 | 176.7 | -78 | -34.1 | 0 | 0 | 0 | 113.4 | V272 Q273 A274 C276 L279 N287 R349 V350 | V272-N285 HydrophobicContact CG1-CB 4.04Å; Q273-N285 VanDerWaalsContact O-CB 3.26Å; Q273-N285 WeakPolarHBondContact O-CB 3.5Å; Q273-N285 PolarHBondContact O-ND2 2.99Å; A274-N285 PolarHBondContact O-N 3.27Å; C276-N285 WeakPolarHBondContact CB-ND2 3.47Å; L279-N285 VanDerWaalsContact CD1-OD1 3.31Å; L279-N285 WeakPolarHBondContact CD1-OD1 3.5Å; N285-N287 PolarHBondContact O-N 3.44Å; N285-R349 HydrophobicContact CB-CB 3.96Å; N285-R349 VanDerWaalsContact OD1-CB 3.31Å; N285-R349 WeakPolarHBondContact OD1-CB 3.4Å; N285-V350 PolarHBondContact O-N 2.84Å |
| 286 | C | 88.2 | Confident | 78.5 | Confident | 16 Ų | 16 | 30.7 Ų | 30.7 | 11% | 0.108 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -18.5 | 173.3 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | F247 V272 A274 L284 R288 A289 | F247-C286 HydrophobicContact CE2-CB 4.41Å; F247-C286 HydrophobicContact CZ-CB 3.98Å; V272-C286 HydrophobicContact CG1-CB 4.44Å; A274-C286 VanDerWaalsContact CA-SG 3.6Å; L284-C286 VanDerWaalsContact C-N 3.34Å; L284-C286 PolarHBondContact O-N 2.86Å; C286-R288 PolarHBondContact O-N 2.89Å; C286-A289 WeakPolarHBondContact O-CB 3.4Å; C286-A289 PolarHBondContact O-N 2.96Å |
| 287 | N | 89.9 | Confident | 79.7 | Confident | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | -134.6 | -173.1 | -155.2 | -35.3 | 0 | 0 | 0 | 109.7 | F224 R225 Y227 L284 N285 V350 | F224-N287 WeakPolarHBondContact CB-OD1 3.47Å; F224-N287 WeakPolarHBondContact CD1-O 3.29Å; F224-N287 WeakPolarHBondContact CE1-O 3.38Å; R225-N287 PolarHBondContact O-ND2 2.88Å; R225-N287 PolarHBondContact O-OD1 3.49Å; Y227-N287 HydrophobicContact CE1-CB 3.83Å; Y227-N287 VanDerWaalsContact CE1-ND2 3.32Å; Y227-N287 WeakPolarHBondContact CE1-ND2 3.25Å; L284-N287 PolarHBondContact O-N 3.04Å; N285-N287 PolarHBondContact O-N 3.44Å; N287-V350 HydrophobicContact CB-CB 4.18Å; N287-V350 HydrophobicContact CB-CG1 4.5Å; N287-V350 PolarHBondContact ND2-O 2.76Å |
| 288 | R | 90.9 | Very high | 81.1 | Confident | 12 Ų | 12 | 26.9 Ų | 26.9 | 5% | 0.045 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 36.8 | 179.5 | -56 | 179.8 | -59.4 | -78.5 | 19.3 | 111.7 | F224 R225 E226 Y227 C286 R356 W409 P410 | F224-R288 HydrophobicContact CB-CG 3.93Å; F224-R288 HydrophobicContact CD1-CG 3.97Å; F224-R288 HydrophobicContact CD2-CG 3.6Å; F224-R288 HydrophobicContact CE1-CG 4.32Å; F224-R288 HydrophobicContact CE2-CG 4.02Å; F224-R288 HydrophobicContact CG-CG 3.56Å; F224-R288 HydrophobicContact CZ-CG 4.35Å; R225-R288 PolarHBondContact O-NH1 3.49Å; E226-R288 IonicContact OE2-NH2 3.21Å; E226-R288 PolarHBondContact OE2-NH2 3.47Å; E226-R288 VanDerWaalsContact OE2-NH2 3.1Å; Y227-R288 HydrophobicContact CE2-CB 4.43Å; Y227-R288 VanDerWaalsContact OH-CA 3.24Å; Y227-R288 WeakPolarHBondContact OH-CA 3.41Å; Y227-R288 WeakPolarHBondContact OH-CB 3.42Å; Y227-R288 PolarHBondContact OH-N 2.9Å; Y227-R288 PolarHBondContact OH-O 2.86Å; C286-R288 PolarHBondContact O-N 2.89Å; R288-R356 PolarHBondContact O-NH1 3.19Å; R288-W409 HydrophobicContact CB-CB 4.26Å; R288-W409 HydrophobicContact CB-CD2 3.74Å; R288-W409 HydrophobicContact CB-CE3 3.81Å; R288-W409 HydrophobicContact CB-CG 3.94Å; R288-W409 HydrophobicContact CB-CZ3 4.37Å; R288-W409 WeakPolarHBondContact CD-O 3.49Å; R288-W409 HydrophobicContact CG-CD2 4.03Å; R288-W409 HydrophobicContact CG-CG 4Å; R288-W409 PolarHBondContact NE-O 3.12Å; R288-P410 WeakPolarHBondContact CD-O 3.28Å |
| 289 | A | 92.8 | Very high | 82.6 | Confident | 9 Ų | 9 | 26.4 Ų | 26.4 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | trans | -85.2 | 143.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F247 C286 V295 V350 I353 | F247-A289 HydrophobicContact CD1-CB 3.99Å; F247-A289 HydrophobicContact CD2-CB 4.23Å; F247-A289 HydrophobicContact CE1-CB 4.05Å; F247-A289 HydrophobicContact CE2-CB 4.32Å; F247-A289 HydrophobicContact CG-CB 4.08Å; F247-A289 HydrophobicContact CZ-CB 4.23Å; C286-A289 WeakPolarHBondContact O-CB 3.4Å; C286-A289 PolarHBondContact O-N 2.96Å; A289-V295 HydrophobicContact CB-CG1 4.03Å; A289-V350 HydrophobicContact CB-CG1 4.32Å; A289-V350 HydrophobicContact CB-CG2 4.37Å; A289-I353 HydrophobicContact CB-CD1 4.4Å | ||
| 290 | I | 91.7 | Very high | 84.3 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | trans | -113.8 | 156.3 | 175.9 | -62.2 | -174.9 | 0 | 0 | 0 | 109.5 | F247 N292 D293 I384 P385 I406 W409 | F247-I290 WeakPolarHBondContact CD1-O 3.44Å; I290-N292 PolarHBondContact O-N 3.21Å; I290-D293 PolarHBondContact N-OD2 2.95Å; I290-D293 VanDerWaalsContact O-CB 3.28Å; I290-D293 WeakPolarHBondContact O-CB 3.37Å; I290-D293 PolarHBondContact O-N 3.14Å; I290-I384 HydrophobicContact CG2-CG1 4.4Å; I290-I384 HydrophobicContact CG2-CG2 4.45Å; I290-P385 HydrophobicContact CD1-CG 4.3Å; I290-P385 HydrophobicContact CG1-CG 4.39Å; I290-I406 HydrophobicContact CD1-CD1 3.27Å; I290-W409 HydrophobicContact CD1-CE3 4.18Å; I290-W409 HydrophobicContact CD1-CZ3 4.05Å; I290-W409 HydrophobicContact CG1-CE3 4.17Å; I290-W409 HydrophobicContact CG1-CZ3 3.7Å | ||
| 291 | N | 91.3 | Very high | 85.9 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 131.6 | 176.7 | -173.3 | 77.2 | 0 | 0 | 0 | 112.1 | M248 V249 D293 N357 R383 | M248-N291 WeakPolarHBondContact CA-OD1 3.4Å; V249-N291 HydrophobicContact CB-CB 4.38Å; V249-N291 HydrophobicContact CG2-CB 3.96Å; V249-N291 PolarHBondContact N-OD1 2.86Å; N291-D293 VanDerWaalsContact C-N 3.34Å; N291-N357 PolarHBondContact O-ND2 3.05Å; N291-R383 HydrophobicContact CB-CB 4.15Å |
| 292 | N | 89.5 | Confident | 87.3 | Confident | 66 Ų | 66 | 26.5 Ų | 26.5 | 35% | 0.353 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 6.8 | -173.3 | -52.6 | -31.8 | 0 | 0 | 0 | 116.9 | F247 I290 N357 | F247-N292 WeakPolarHBondContact O-CA 3.31Å; F247-N292 PolarHBondContact O-N 3.45Å; I290-N292 PolarHBondContact O-N 3.21Å; N292-N357 HydrophobicContact CB-CB 4.18Å |
| 293 | D | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -58.6 | 143.3 | 168.4 | -79.1 | -9.3 | 0 | 0 | 0 | 110.6 | T246 F247 I290 N291 V295 I353 R356 N357 | T246-D293 WeakPolarHBondContact CA-O 3.32Å; F247-D293 PolarHBondContact N-O 3.36Å; I290-D293 PolarHBondContact N-OD2 2.95Å; I290-D293 VanDerWaalsContact O-CB 3.28Å; I290-D293 WeakPolarHBondContact O-CB 3.37Å; I290-D293 PolarHBondContact O-N 3.14Å; N291-D293 VanDerWaalsContact C-N 3.34Å; D293-V295 HydrophobicContact CB-CG1 3.78Å; D293-I353 HydrophobicContact CB-CG2 4.44Å; D293-R356 WeakPolarHBondContact OD1-CA 3.41Å; D293-R356 IonicContact OD2-NH1 2.67Å; D293-N357 PolarHBondContact OD1-N 2.83Å | ||
| 294 | V | 92.1 | Very high | 89.9 | Confident | 30 Ų | 30 | 34 Ų | 34 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.9 | 166.5 | -175 | 0 | 0 | 0 | 0 | 107.7 | G245 L354 Q355 | G245-V294 WeakPolarHBondContact O-CA 3.34Å; V294-L354 HydrophobicContact CG1-CB 4.3Å; V294-L354 HydrophobicContact CG1-CD1 4.45Å; V294-L354 PolarHBondContact O-N 3.2Å; V294-Q355 HydrophobicContact CB-CB 3.87Å; V294-Q355 HydrophobicContact CG2-CB 4Å; V294-Q355 PolarHBondContact N-O 3.29Å; V294-Q355 PolarHBondContact O-N 2.65Å |
| 295 | V | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 158.9 | -169.7 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | Q244 G245 F247 V259 A289 D293 V297 V350 G352 I353 | Q244-V295 VanDerWaalsContact CA-O 3.31Å; Q244-V295 WeakPolarHBondContact CA-O 3.27Å; G245-V295 PolarHBondContact N-O 3.34Å; G245-V295 PolarHBondContact O-N 3.06Å; F247-V295 HydrophobicContact CB-CG1 3.84Å; F247-V295 HydrophobicContact CB-CG2 3.95Å; F247-V295 HydrophobicContact CD2-CG2 4.48Å; F247-V295 HydrophobicContact CG-CG1 4.49Å; V259-V295 HydrophobicContact CB-CG2 4.41Å; V259-V295 HydrophobicContact CG1-CG2 3.71Å; V259-V295 HydrophobicContact CG2-CG2 3.72Å; A289-V295 HydrophobicContact CB-CG1 4.03Å; D293-V295 HydrophobicContact CB-CG1 3.78Å; V295-V297 HydrophobicContact CG2-CG1 4.06Å; V295-V350 HydrophobicContact CB-CG1 4.04Å; V295-V350 HydrophobicContact CG1-CG1 4.18Å; V295-V350 HydrophobicContact CG2-CG2 4.45Å; V295-G352 WeakPolarHBondContact CA-O 3.4Å; V295-I353 HydrophobicContact CG1-CG1 4.23Å |
| 296 | V | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.2 | 165.1 | -174.9 | 0 | 0 | 0 | 0 | 108 | L233 L237 F242 R243 V351 G352 L354 | L233-V296 HydrophobicContact CD1-CG2 4.36Å; L233-V296 HydrophobicContact CD2-CB 3.93Å; L233-V296 HydrophobicContact CD2-CG1 3.93Å; L233-V296 HydrophobicContact CD2-CG2 4.17Å; L237-V296 HydrophobicContact CD1-CG2 4.16Å; L237-V296 HydrophobicContact CD2-CG1 4.1Å; L237-V296 HydrophobicContact CG-CG1 4.3Å; F242-V296 HydrophobicContact CB-CG1 3.46Å; F242-V296 VanDerWaalsContact CB-CG1 3.46Å; F242-V296 HydrophobicContact CD2-CG1 3.93Å; F242-V296 HydrophobicContact CG-CG1 3.89Å; R243-V296 CarbonylContact O-C 3.34Å; R243-V296 WeakPolarHBondContact O-CA 3.43Å; V296-V351 HydrophobicContact CB-CG2 4.29Å; V296-V351 HydrophobicContact CG1-CG2 3.96Å; V296-V351 PolarHBondContact O-N 2.75Å; V296-G352 PolarHBondContact N-O 2.82Å; V296-G352 PolarHBondContact O-N 3.24Å; V296-L354 HydrophobicContact CG2-CD1 3.81Å; V296-L354 HydrophobicContact CG2-CD2 3.77Å; V296-L354 HydrophobicContact CG2-CG 3.62Å |
| 297 | V | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.5 | 177.6 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | F242 R243 V259 I261 I270 V295 R349 V350 | F242-V297 WeakPolarHBondContact CA-O 3.31Å; R243-V297 HydrophobicContact CB-CG2 4.04Å; R243-V297 PolarHBondContact N-O 3.04Å; R243-V297 WeakPolarHBondContact O-CG2 3.37Å; R243-V297 PolarHBondContact O-N 2.95Å; V259-V297 HydrophobicContact CB-CG1 4.18Å; V259-V297 HydrophobicContact CG1-CG1 4.11Å; V259-V297 HydrophobicContact CG1-CG2 4.16Å; V259-V297 HydrophobicContact CG2-CG1 3.74Å; I261-V297 HydrophobicContact CD1-CG2 4.48Å; I270-V297 HydrophobicContact CB-CG2 4.4Å; I270-V297 HydrophobicContact CD1-CG2 3.52Å; I270-V297 HydrophobicContact CG2-CG2 4.44Å; V295-V297 HydrophobicContact CG2-CG1 4.06Å; V297-R349 VanDerWaalsContact CA-O 3.26Å; V297-R349 WeakPolarHBondContact CA-O 3.25Å; V297-V350 HydrophobicContact CG1-CG2 4.08Å |
| 298 | E | 94.5 | Very high | 89.6 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.9 | 165.4 | -178.8 | -174.9 | -179.1 | 0 | 0 | 107.8 | F242 L300 G348 R349 V351 | F242-E298 HydrophobicContact CD1-CB 3.88Å; F242-E298 HydrophobicContact CD1-CG 4.19Å; F242-E298 HydrophobicContact CE1-CB 3.93Å; F242-E298 HydrophobicContact CE1-CG 3.97Å; E298-L300 PolarHBondContact O-N 2.86Å; E298-G348 CarbonylContact O-C 3.38Å; E298-G348 WeakPolarHBondContact O-CA 3.48Å; E298-R349 HydrophobicContact CB-CG 4.2Å; E298-R349 PolarHBondContact N-O 3Å; E298-R349 PolarHBondContact O-N 2.72Å; E298-R349 IonicContact OE1-CZ 3.39Å; E298-R349 IonicContact OE1-NH2 3.41Å; E298-R349 PolarHBondContact OE1-NH2 2.86Å; E298-R349 IonicContact OE2-CZ 2.8Å; E298-R349 IonicContact OE2-NE 2.77Å; E298-R349 PolarHBondContact OE2-NE 3.18Å; E298-R349 IonicContact OE2-NH2 3.61Å; E298-R349 PolarHBondContact OE2-NH2 2.63Å; E298-V351 HydrophobicContact CB-CG1 3.72Å |
| 299 | V | 91.1 | Very high | 89 | Confident | 54 Ų | 54 | 38.5 Ų | 38.5 | 33% | 0.327 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.1 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | R243 I270 W305 | R243-V299 HydrophobicContact CG-CG2 4.33Å; I270-V299 HydrophobicContact CD1-CG2 3.49Å; I270-V299 VanDerWaalsContact CD1-CG2 3.49Å; I270-V299 HydrophobicContact CG1-CG2 4.37Å; V299-W305 HydrophobicContact CG1-CZ2 4.4Å |
| 300 | L | 90.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 157.6 | 177.6 | -61.5 | 177.2 | 0 | 0 | 0 | 110.4 | E298 E304 W305 T347 R349 | E298-L300 PolarHBondContact O-N 2.86Å; L300-E304 HydrophobicContact CB-CB 4.02Å; L300-E304 HydrophobicContact CD1-CB 4.28Å; L300-W305 PolarHBondContact O-NE1 3.28Å; L300-T347 WeakPolarHBondContact CB-O 3.49Å; L300-T347 HydrophobicContact CD1-CG2 4.22Å; L300-T347 PolarHBondContact N-O 2.91Å; L300-R349 HydrophobicContact CD2-CB 4.45Å; L300-R349 HydrophobicContact CD2-CG 4.03Å |
| 301 | P | 88.5 | Confident | 87.5 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 46% | 0.455 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -50.9 | 148.3 | 167 | -27.3 | 37.5 | 0 | 0 | 0 | 112.2 | D303 E304 W305 | P301-D303 WeakPolarHBondContact CB-OD1 3.05Å; P301-D303 PolarHBondContact O-N 2.93Å; P301-E304 WeakPolarHBondContact O-CA 3.31Å; P301-E304 PolarHBondContact O-N 3.01Å; P301-W305 PolarHBondContact O-N 3.24Å |
| 302 | E | 85 | Confident | 86.9 | Confident | 142 Ų | 142 | 41.1 Ų | 41.1 | 66% | 0.664 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -60.7 | -29.4 | -174 | -169.7 | 174.7 | 174.9 | 0 | 0 | 113.1 | E304 W305 | E302-E304 PolarHBondContact O-N 3.31Å; E302-W305 HydrophobicContact CB-CD2 4.38Å; E302-W305 HydrophobicContact CG-CD2 4.04Å; E302-W305 HydrophobicContact CG-CE3 3.94Å; E302-W305 HydrophobicContact CG-CH2 4.39Å; E302-W305 HydrophobicContact CG-CZ3 4.12Å; E302-W305 VanDerWaalsContact O-CB 3.31Å; E302-W305 WeakPolarHBondContact O-CB 3.44Å; E302-W305 PolarHBondContact O-N 3.29Å; E302-W305 VanDerWaalsContact O-N 3.14Å |
| 303 | D | 84.5 | Confident | 86.5 | Confident | 143 Ų | 143 | 39.5 Ų | 39.5 | 77% | 0.765 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -69.9 | -17.2 | 174.3 | 60.2 | -57.8 | 0 | 0 | 0 | 113.9 | P301 | P301-D303 WeakPolarHBondContact CB-OD1 3.05Å; P301-D303 PolarHBondContact O-N 2.93Å |
| 304 | E | 84.7 | Confident | 85.7 | Confident | 52 Ų | 52 | 41 Ų | 41 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -98.1 | 3.4 | 172.4 | -64.2 | -168.7 | -152.1 | 0 | 0 | 112.9 | S278 L300 P301 E302 | S278-E304 WeakPolarHBondContact CB-OE2 3.32Å; S278-E304 PolarHBondContact OG-OE2 3.41Å; L300-E304 HydrophobicContact CB-CB 4.02Å; L300-E304 HydrophobicContact CD1-CB 4.28Å; P301-E304 WeakPolarHBondContact O-CA 3.31Å; P301-E304 PolarHBondContact O-N 3.01Å; E302-E304 PolarHBondContact O-N 3.31Å |
| 305 | W | 87.1 | Confident | 84.8 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | trans | -67.1 | 143.2 | 175.9 | -71 | 10 | 0 | 0 | 0 | 111.3 | V299 L300 P301 E302 V344 V345 P346 | V299-W305 HydrophobicContact CG1-CZ2 4.4Å; L300-W305 PolarHBondContact O-NE1 3.28Å; P301-W305 PolarHBondContact O-N 3.24Å; E302-W305 HydrophobicContact CB-CD2 4.38Å; E302-W305 HydrophobicContact CG-CD2 4.04Å; E302-W305 HydrophobicContact CG-CE3 3.94Å; E302-W305 HydrophobicContact CG-CH2 4.39Å; E302-W305 HydrophobicContact CG-CZ3 4.12Å; E302-W305 VanDerWaalsContact O-CB 3.31Å; E302-W305 WeakPolarHBondContact O-CB 3.44Å; E302-W305 PolarHBondContact O-N 3.29Å; E302-W305 VanDerWaalsContact O-N 3.14Å; W305-V344 HydrophobicContact CB-CB 4.23Å; W305-V345 WeakPolarHBondContact CB-O 3.26Å; W305-P346 HydrophobicContact CE3-CG 4.31Å; W305-P346 HydrophobicContact CH2-CB 4.11Å; W305-P346 HydrophobicContact CH2-CG 3.74Å; W305-P346 HydrophobicContact CZ2-CB 4.06Å; W305-P346 HydrophobicContact CZ2-CG 4.21Å; W305-P346 HydrophobicContact CZ3-CB 4.37Å; W305-P346 HydrophobicContact CZ3-CG 3.79Å | ||
| 306 | S | 84.7 | Confident | 83.6 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -125.2 | 179.4 | -179.1 | 73.5 | 0 | 0 | 0 | 0 | 110.6 | F271 V345 T347 | F271-S306 WeakPolarHBondContact CD1-OG 3.22Å; F271-S306 VanDerWaalsContact CE1-OG 3.24Å; F271-S306 WeakPolarHBondContact CE1-OG 3.24Å; S306-V345 WeakPolarHBondContact O-CG2 3.31Å; S306-V345 PolarHBondContact O-N 3Å; S306-T347 PolarHBondContact N-OG1 3.23Å; S306-T347 PolarHBondContact OG-OG1 3.04Å |
| 307 | C | 83.2 | Confident | 82.3 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | trans | -128.1 | 157.5 | 173.4 | 68.2 | 0 | 0 | 0 | 0 | 110.3 | A309 H343 | C307-A309 PolarHBondContact O-N 3.49Å; C307-H343 VanDerWaalsContact CB-O 3.28Å; C307-H343 WeakPolarHBondContact CB-O 3.39Å | ||
| 308 | P | 80.8 | Confident | 81.2 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 46% | 0.461 | 26% | 0.257 | S | S | . | . | trans | -51.6 | 136.6 | 170.1 | -26.4 | 35.1 | 0 | 0 | 0 | 111.2 | F271 | F271-P308 HydrophobicContact CD2-CG 4.47Å; F271-P308 HydrophobicContact CE2-CB 4.46Å; F271-P308 HydrophobicContact CE2-CG 4.08Å; F271-P308 HydrophobicContact CZ-CB 4.36Å; F271-P308 HydrophobicContact CZ-CG 4.2Å | ||
| 309 | A | 78.4 | Confident | 79.9 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | trans | -72.5 | 147 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E256 C307 V311 | E256-A309 WeakPolarHBondContact OE1-CB 3.46Å; E256-A309 PolarHBondContact OE1-N 2.88Å; C307-A309 PolarHBondContact O-N 3.49Å; A309-V311 HydrophobicContact CB-CG2 3.74Å; A309-V311 PolarHBondContact O-N 3.25Å | ||
| 310 | S | 74.6 | Confident | 78.6 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -79.6 | 23.1 | 175.6 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | R864 | S310-R864 WeakPolarHBondContact O-CB 3.11Å; S310-R864 PolarHBondContact O-N 2.76Å |
| 311 | V | 79.2 | Confident | 77.3 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 13% | 0.127 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -125.1 | 139.8 | -176 | -66.9 | 0 | 0 | 0 | 0 | 110.9 | A309 R313 R864 N865 | A309-V311 HydrophobicContact CB-CG2 3.74Å; A309-V311 PolarHBondContact O-N 3.25Å; V311-R313 HydrophobicContact CG2-CG 4.2Å; V311-R864 HydrophobicContact CG1-CB 4.15Å; V311-N865 WeakPolarHBondContact CA-OD1 3.46Å |
| 312 | L | 78.7 | Confident | 76.2 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | trans | -83 | 125.4 | 170.1 | -174.8 | 72 | 0 | 0 | 0 | 108.8 | D252 L314 N865 A866 P879 L881 | D252-L312 HydrophobicContact CB-CD1 3.61Å; D252-L312 WeakPolarHBondContact O-CD1 3.16Å; L312-L314 HydrophobicContact CD1-CD1 4.32Å; L312-L314 HydrophobicContact CD1-CD2 4.1Å; L312-L314 HydrophobicContact CD1-CG 4.16Å; L312-L314 HydrophobicContact CD2-CD1 4.06Å; L312-L314 HydrophobicContact CG-CD1 4.17Å; L312-L314 HydrophobicContact CG-CG 4.09Å; L312-N865 PolarHBondContact N-OD1 3Å; L312-N865 PolarHBondContact O-ND2 2.89Å; L312-A866 HydrophobicContact CB-CB 3.88Å; L312-A866 HydrophobicContact CD2-CB 3.75Å; L312-A866 HydrophobicContact CG-CB 4.47Å; L312-P879 HydrophobicContact CD2-CB 3.48Å; L312-P879 VanDerWaalsContact CD2-CB 3.48Å; L312-P879 HydrophobicContact CD2-CG 3.79Å; L312-L881 HydrophobicContact CD2-CD2 3.9Å | ||
| 313 | R | 80.5 | Confident | 75.2 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 13% | 0.125 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -135.8 | 97.9 | 177.8 | -71.4 | -174.1 | 177.7 | 174.2 | -0.5 | 110.2 | D252 N253 Y254 V311 L333 D336 | D252-R313 CarbonylContact O-C 3.54Å; D252-R313 PolarHBondContact O-N 2.76Å; N253-R313 VanDerWaalsContact CA-O 3.26Å; N253-R313 WeakPolarHBondContact CA-O 3.45Å; N253-R313 HydrophobicContact CB-CB 4.46Å; Y254-R313 WeakPolarHBondContact CD1-O 3.3Å; Y254-R313 PolarHBondContact N-O 2.86Å; V311-R313 HydrophobicContact CG2-CG 4.2Å; R313-L333 VanDerWaalsContact CZ-CD2 3.43Å; R313-D336 IonicContact CZ-OD2 2.89Å; R313-D336 VanDerWaalsContact NH2-CB 3.26Å; R313-D336 IonicContact NH2-OD2 3.69Å; R313-D336 PolarHBondContact NH2-OD2 2.95Å |
| 314 | L | 76.3 | Confident | 74.2 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | trans | -102.5 | 128 | 178.5 | -49.8 | 165.3 | 0 | 0 | 0 | 108.2 | R251 L312 E316 F317 | R251-L314 WeakPolarHBondContact O-CD2 3.46Å; L312-L314 HydrophobicContact CD1-CD1 4.32Å; L312-L314 HydrophobicContact CD1-CD2 4.1Å; L312-L314 HydrophobicContact CD1-CG 4.16Å; L312-L314 HydrophobicContact CD2-CD1 4.06Å; L312-L314 HydrophobicContact CG-CD1 4.17Å; L312-L314 HydrophobicContact CG-CG 4.09Å; L314-E316 HydrophobicContact CB-CG 3.85Å; L314-E316 PolarHBondContact O-N 3.44Å; L314-E316 VanDerWaalsContact O-N 3.08Å; L314-F317 HydrophobicContact CB-CD2 3.87Å; L314-F317 HydrophobicContact CB-CE2 4.15Å; L314-F317 HydrophobicContact CD1-CD2 4.27Å; L314-F317 HydrophobicContact CD1-CE2 3.75Å; L314-F317 HydrophobicContact CG-CE2 4.48Å; L314-F317 PolarHBondContact O-N 3.31Å | ||
| 315 | Q | 73.3 | Confident | 73 | Confident | 21 Ų | 21 | 52 Ų | 52 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -56.5 | -28.7 | -175.7 | -172.4 | 173.6 | -2.1 | 0 | 0 | 112.4 | Y254 F317 E318 K382 | Y254-Q315 HydrophobicContact CD1-CB 3.91Å; Y254-Q315 HydrophobicContact CD2-CB 4.44Å; Y254-Q315 HydrophobicContact CE1-CB 4.45Å; Y254-Q315 HydrophobicContact CG-CB 3.93Å; Q315-F317 PolarHBondContact O-N 2.77Å; Q315-E318 WeakPolarHBondContact O-CB 3.37Å; Q315-E318 PolarHBondContact O-N 2.76Å; Q315-K382 PolarHBondContact OE1-O 2.77Å |
| 316 | E | 70 | Confident | 72.1 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 16% | 0.159 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -63.6 | -18.9 | 177.7 | 69.7 | 174.9 | 140.4 | 0 | 0 | 114.5 | L314 K382 R928 | L314-E316 HydrophobicContact CB-CG 3.85Å; L314-E316 PolarHBondContact O-N 3.44Å; L314-E316 VanDerWaalsContact O-N 3.08Å; E316-K382 HydrophobicContact CB-CD 4.25Å; E316-K382 VanDerWaalsContact CD-CE 3.41Å; E316-K382 HydrophobicContact CG-CD 4.3Å; E316-K382 IonicContact OE1-NZ 3.32Å; E316-K382 PolarHBondContact OE1-NZ 3.29Å; E316-K382 WeakPolarHBondContact OE2-CE 3.42Å; E316-K382 IonicContact OE2-NZ 2.78Å; E316-K382 PolarHBondContact OE2-NZ 2.77Å; E316-R928 VanDerWaalsContact C-NH1 3.28Å; E316-R928 VanDerWaalsContact CG-NH1 3.25Å; E316-R928 VanDerWaalsContact O-CZ 3.25Å; E316-R928 PolarHBondContact O-NH1 3.4Å; E316-R928 PolarHBondContact O-NH2 3Å; E316-R928 VanDerWaalsContact OE2-CD 3.22Å; E316-R928 WeakPolarHBondContact OE2-CD 3.26Å; E316-R928 IonicContact OE2-CZ 3.92Å; E316-R928 IonicContact OE2-NE 2.82Å; E316-R928 PolarHBondContact OE2-NE 3.37Å; E316-R928 IonicContact OE2-NH1 2.81Å; E316-R928 PolarHBondContact OE2-NH1 2.8Å; E316-R928 IonicContact OE2-NH2 3.2Å |
| 317 | F | 68.9 | Low | 71.3 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 45% | 0.452 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -93.9 | 4 | 173.3 | -64.3 | -76.3 | 0 | 0 | 0 | 112.5 | L314 Q315 L881 | L314-F317 HydrophobicContact CB-CD2 3.87Å; L314-F317 HydrophobicContact CB-CE2 4.15Å; L314-F317 HydrophobicContact CD1-CD2 4.27Å; L314-F317 HydrophobicContact CD1-CE2 3.75Å; L314-F317 HydrophobicContact CG-CE2 4.48Å; L314-F317 PolarHBondContact O-N 3.31Å; Q315-F317 PolarHBondContact O-N 2.77Å; F317-L881 HydrophobicContact CD1-CD1 4.03Å; F317-L881 HydrophobicContact CD2-CD1 4.21Å; F317-L881 HydrophobicContact CE1-CD1 3.89Å; F317-L881 HydrophobicContact CE2-CD1 4.13Å; F317-L881 HydrophobicContact CG-CD1 4.2Å; F317-L881 HydrophobicContact CZ-CD1 3.96Å |
| 318 | E | 70.5 | Confident | 70.8 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 146.6 | 175.5 | -59.3 | -153.3 | 164.4 | 0 | 0 | 111.9 | Y254 Q315 | Y254-E318 HydrophobicContact CE1-CG 4.3Å; Y254-E318 WeakPolarHBondContact CE1-OE1 3.49Å; Y254-E318 VanDerWaalsContact CZ-OE1 3.24Å; Y254-E318 PolarHBondContact OH-OE1 2.94Å; Y254-E318 PolarHBondContact OH-OE2 2.92Å; Q315-E318 WeakPolarHBondContact O-CB 3.37Å; Q315-E318 PolarHBondContact O-N 2.76Å |
| 319 | K | 67.2 | Low | 70.3 | Confident | 172 Ų | 172 | 61.8 Ų | 61.8 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -96.8 | 149.3 | 171.7 | -64.9 | -173.7 | 176.8 | -174.2 | 0 | 109.5 | K321 | K319-K321 PolarHBondContact O-N 2.86Š|
| 320 | D | 64.5 | Low | 70 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 135.9 | 170.2 | -171.8 | 23.7 | 0 | 0 | 0 | 110.3 | G322 L376 W386 Y415 | D320-G322 PolarHBondContact OD1-N 3.08Å; D320-L376 HydrophobicContact CB-CD1 4.21Å; D320-L376 WeakPolarHBondContact OD2-CD1 3.39Å; D320-W386 HydrophobicContact CB-CH2 4.38Å; D320-W386 HydrophobicContact CB-CZ3 3.68Å; D320-Y415 PolarHBondContact OD1-OH 2.84Å |
| 321 | K | 63.1 | Low | 69.9 | Low | 72 Ų | 72 | 68.7 Ų | 68.7 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | trans | -128 | 8 | -179.3 | -64.1 | 168.7 | -171.2 | 158.2 | 0 | 111.5 | K319 E329 | K319-K321 PolarHBondContact O-N 2.86Å; K321-E329 VanDerWaalsContact CD-OE2 3.26Å; K321-E329 WeakPolarHBondContact CD-OE2 3.34Å; K321-E329 WeakPolarHBondContact CE-OE2 3.31Å; K321-E329 IonicContact NZ-OE1 2.69Å; K321-E329 PolarHBondContact NZ-OE1 3.16Å; K321-E329 IonicContact NZ-OE2 3.02Å; K321-E329 PolarHBondContact NZ-OE2 2.79Å | ||
| 322 | G | 64.6 | Low | 69.8 | Low | 23 Ų | 23 | 71.9 Ų | 71.9 | 24% | 0.237 | 34% | 0.335 | C | S | . | . | trans | 69.6 | -167.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D320 R414 | D320-G322 PolarHBondContact OD1-N 3.08Å; G322-R414 WeakPolarHBondContact O-CD 3.18Å; G322-R414 PolarHBondContact O-NH1 2.89Å | ||
| 323 | D | 63.8 | Low | 69.7 | Low | 45 Ų | 45 | 71.1 Ų | 71.1 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -89.4 | 0.7 | -178.5 | -74.7 | -41.8 | 0 | 0 | 0 | 114.2 | K223 R388 R414 | K223-D323 WeakPolarHBondContact CE-O 3.06Å; K223-D323 VanDerWaalsContact NZ-C 3.29Å; K223-D323 PolarHBondContact NZ-O 2.92Å; K223-D323 IonicContact NZ-OD1 3.48Å; D323-R388 VanDerWaalsContact CG-NH2 3.35Å; D323-R388 IonicContact OD1-NH2 3.82Å; D323-R388 IonicContact OD2-CZ 3.45Å; D323-R388 IonicContact OD2-NH1 2.69Å; D323-R388 PolarHBondContact OD2-NH1 2.89Å; D323-R388 IonicContact OD2-NH2 3.45Å; D323-R388 PolarHBondContact OD2-NH2 3.41Å; D323-R414 WeakPolarHBondContact OD1-CB 3.47Å; D323-R414 PolarHBondContact OD1-N 2.83Å |
| 324 | E | 63.5 | Low | 69.4 | Low | 164 Ų | 164 | 71.1 Ų | 71.1 | 77% | 0.766 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -77.5 | 134.7 | 173.9 | -66 | -170 | 167.4 | 0 | 0 | 110.3 | N326 | E324-N326 PolarHBondContact O-N 2.98Å; E324-N326 VanDerWaalsContact O-N 3.11Å |
| 325 | V | 60 | Low | 69.3 | Low | 59 Ų | 59 | 73.3 Ų | 73.3 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | trans | -70.5 | 107.8 | 176 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | K223 E327 | K223-V325 HydrophobicContact CG-CG2 4.41Å; V325-E327 PolarHBondContact O-N 3.42Å | ||
| 326 | N | 68.2 | Low | 69.2 | Low | 78 Ų | 78 | 74 Ų | 74 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | trans | -72.9 | 95.7 | 171.9 | -174.8 | -34.2 | 0 | 0 | 0 | 109 | E324 E328 E329 D330 | E324-N326 PolarHBondContact O-N 2.98Å; E324-N326 VanDerWaalsContact O-N 3.11Å; N326-E328 PolarHBondContact O-N 3.08Å; N326-E328 PolarHBondContact OD1-N 2.91Å; N326-E329 HydrophobicContact CB-CB 4.02Å; N326-E329 PolarHBondContact O-N 2.96Å; N326-E329 VanDerWaalsContact O-N 3.12Å; N326-E329 PolarHBondContact OD1-N 3.13Å; N326-E329 VanDerWaalsContact OD1-N 3.07Å; N326-D330 PolarHBondContact O-N 2.8Å | ||
| 327 | E | 67.8 | Low | 69.3 | Low | 116 Ų | 116 | 73.2 Ų | 73.2 | 54% | 0.542 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.9 | -35.1 | -176.6 | -67.6 | -157.2 | -174.5 | 0 | 0 | 113.3 | K281 V325 E329 R331 | K281-E327 IonicContact NZ-OE1 3.84Å; K281-E327 IonicContact NZ-OE2 2.72Å; K281-E327 PolarHBondContact NZ-OE2 2.97Å; V325-E327 PolarHBondContact O-N 3.42Å; E327-E329 VanDerWaalsContact C-N 3.34Å; E327-R331 VanDerWaalsContact O-CB 3.25Å; E327-R331 WeakPolarHBondContact O-CB 3.36Å; E327-R331 PolarHBondContact O-N 3.41Å |
| 328 | E | 72 | Confident | 69.4 | Low | 159 Ų | 159 | 71 Ų | 71 | 74% | 0.743 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.7 | -40.6 | 179.1 | -171.9 | 177.8 | -176.8 | 0 | 0 | 110.9 | N326 R332 | N326-E328 PolarHBondContact O-N 3.08Å; N326-E328 PolarHBondContact OD1-N 2.91Å; E328-R332 WeakPolarHBondContact O-CB 3.44Å; E328-R332 PolarHBondContact O-N 3.33Å |
| 329 | E | 72 | Confident | 69.3 | Low | 16 Ų | 16 | 75.9 Ų | 75.9 | 8% | 0.075 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.5 | -48.2 | 175.5 | 178.8 | 158.5 | -127 | 0 | 0 | 112.6 | K321 N326 E327 R331 R332 L333 | K321-E329 VanDerWaalsContact CD-OE2 3.26Å; K321-E329 WeakPolarHBondContact CD-OE2 3.34Å; K321-E329 WeakPolarHBondContact CE-OE2 3.31Å; K321-E329 IonicContact NZ-OE1 2.69Å; K321-E329 PolarHBondContact NZ-OE1 3.16Å; K321-E329 IonicContact NZ-OE2 3.02Å; K321-E329 PolarHBondContact NZ-OE2 2.79Å; N326-E329 HydrophobicContact CB-CB 4.02Å; N326-E329 PolarHBondContact O-N 2.96Å; N326-E329 VanDerWaalsContact O-N 3.12Å; N326-E329 PolarHBondContact OD1-N 3.13Å; N326-E329 VanDerWaalsContact OD1-N 3.07Å; E327-E329 VanDerWaalsContact C-N 3.34Å; E329-R331 VanDerWaalsContact C-N 3.25Å; E329-R331 PolarHBondContact O-N 2.95Å; E329-R332 CarbonylContact O-C 3.56Å; E329-R332 WeakPolarHBondContact O-CB 3.47Å; E329-R332 PolarHBondContact O-N 3.27Å; E329-R332 IonicContact OE1-NH2 3.97Å; E329-R332 PolarHBondContact OE1-NH2 3.29Å; E329-L333 HydrophobicContact CG-CD1 3.68Å; E329-L333 HydrophobicContact CG-CG 3.97Å; E329-L333 VanDerWaalsContact O-CG 3.24Å; E329-L333 WeakPolarHBondContact O-CG 3.2Å; E329-L333 PolarHBondContact O-N 3.43Å |
| 330 | D | 71.1 | Confident | 69.4 | Low | 11 Ų | 11 | 68.8 Ų | 68.8 | 6% | 0.059 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.2 | -45.3 | 175.4 | 172.6 | 69.3 | 0 | 0 | 0 | 110.5 | Y275 N326 R332 L333 R334 | Y275-D330 VanDerWaalsContact CD1-OD1 3.29Å; Y275-D330 WeakPolarHBondContact CD1-OD1 3.4Å; Y275-D330 HydrophobicContact CE1-CB 4.4Å; Y275-D330 WeakPolarHBondContact CE1-OD1 3.31Å; N326-D330 PolarHBondContact O-N 2.8Å; D330-R332 PolarHBondContact O-N 2.98Å; D330-L333 PolarHBondContact O-N 2.69Å; D330-R334 WeakPolarHBondContact O-CB 3.38Å; D330-R334 WeakPolarHBondContact O-CD 3.33Å; D330-R334 WeakPolarHBondContact O-CG 3.4Å; D330-R334 PolarHBondContact O-N 3.29Å; D330-R334 IonicContact OD1-CZ 2.75Å; D330-R334 IonicContact OD1-NE 2.76Å; D330-R334 PolarHBondContact OD1-NE 3Å; D330-R334 IonicContact OD1-NH2 2.67Å; D330-R334 PolarHBondContact OD1-NH2 2.95Å; D330-R334 VanDerWaalsContact OD1-NH2 3.13Å; D330-R334 IonicContact OD2-CZ 2.77Å; D330-R334 IonicContact OD2-NE 3.21Å; D330-R334 PolarHBondContact OD2-NE 2.98Å; D330-R334 IonicContact OD2-NH2 3.84Å; D330-R334 PolarHBondContact OD2-NH2 3.23Å |
| 331 | R | 73.1 | Confident | 69.5 | Low | 179 Ų | 179 | 75.6 Ų | 75.6 | 68% | 0.675 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -45.8 | 174.7 | -174.4 | -178.5 | -178.8 | -148 | 1.2 | 112.1 | E327 E329 R334 L335 | E327-R331 VanDerWaalsContact O-CB 3.25Å; E327-R331 WeakPolarHBondContact O-CB 3.36Å; E327-R331 PolarHBondContact O-N 3.41Å; E329-R331 VanDerWaalsContact C-N 3.25Å; E329-R331 PolarHBondContact O-N 2.95Å; R331-R334 PolarHBondContact O-N 3.02Å; R331-L335 HydrophobicContact CG-CD1 4.09Å; R331-L335 WeakPolarHBondContact O-CB 3.48Å; R331-L335 VanDerWaalsContact O-CG 3.26Å; R331-L335 WeakPolarHBondContact O-CG 3.36Å; R331-L335 PolarHBondContact O-N 2.82Å |
| 332 | R | 76 | Confident | 69.7 | Low | 89 Ų | 89 | 74.9 Ų | 74.9 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.5 | 179.6 | -173.9 | 66 | 155.4 | 3 | 111.7 | E328 E329 D330 R334 L335 D336 R885 | E328-R332 WeakPolarHBondContact O-CB 3.44Å; E328-R332 PolarHBondContact O-N 3.33Å; E329-R332 CarbonylContact O-C 3.56Å; E329-R332 WeakPolarHBondContact O-CB 3.47Å; E329-R332 PolarHBondContact O-N 3.27Å; E329-R332 IonicContact OE1-NH2 3.97Å; E329-R332 PolarHBondContact OE1-NH2 3.29Å; D330-R332 PolarHBondContact O-N 2.98Å; R332-R334 VanDerWaalsContact C-N 3.31Å; R332-R334 PolarHBondContact O-N 3.29Å; R332-L335 PolarHBondContact O-N 2.8Å; R332-L335 VanDerWaalsContact O-N 3.17Å; R332-D336 PolarHBondContact O-N 3.15Å; R332-R885 VanDerWaalsContact NH1-NH2 3.1Å |
| 333 | L | 76.7 | Confident | 70.1 | Confident | 3 Ų | 3 | 81.5 Ų | 81.5 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | -178.8 | -63.1 | 172.5 | 0 | 0 | 0 | 110.5 | L255 Y275 R313 E329 D330 D336 V337 | L255-L333 HydrophobicContact CD1-CD1 4.34Å; L255-L333 HydrophobicContact CD1-CD2 4.21Å; Y275-L333 HydrophobicContact CD1-CB 4.41Å; Y275-L333 HydrophobicContact CD2-CB 3.99Å; Y275-L333 HydrophobicContact CD2-CD1 4.18Å; Y275-L333 HydrophobicContact CE1-CD1 4.22Å; Y275-L333 HydrophobicContact CE2-CB 4.13Å; Y275-L333 HydrophobicContact CE2-CD1 3.46Å; Y275-L333 VanDerWaalsContact CE2-CD1 3.46Å; Y275-L333 HydrophobicContact CE2-CG 4.39Å; Y275-L333 HydrophobicContact CG-CB 4.14Å; Y275-L333 VanDerWaalsContact CZ-CD1 3.48Å; R313-L333 VanDerWaalsContact CZ-CD2 3.43Å; E329-L333 HydrophobicContact CG-CD1 3.68Å; E329-L333 HydrophobicContact CG-CG 3.97Å; E329-L333 VanDerWaalsContact O-CG 3.24Å; E329-L333 WeakPolarHBondContact O-CG 3.2Å; E329-L333 PolarHBondContact O-N 3.43Å; D330-L333 PolarHBondContact O-N 2.69Å; L333-D336 PolarHBondContact O-N 3.49Å; L333-V337 WeakPolarHBondContact O-CG2 3.32Å; L333-V337 PolarHBondContact O-N 3.35Å; L333-V337 VanDerWaalsContact O-N 3.09Å |
| 334 | R | 74.3 | Confident | 71 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 13% | 0.125 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 172 | -68.5 | 168 | -171 | -133.5 | -8.2 | 112.8 | Y275 L279 A280 K281 G282 D330 R331 R332 D336 V337 A338 | Y275-R334 HydrophobicContact CD1-CG 4.25Å; L279-R334 PolarHBondContact O-NH1 2.9Å; A280-R334 PolarHBondContact O-NH2 3.4Å; K281-R334 VanDerWaalsContact CA-NH2 3.28Å; G282-R334 VanDerWaalsContact N-NH2 3.18Å; D330-R334 WeakPolarHBondContact O-CB 3.38Å; D330-R334 WeakPolarHBondContact O-CD 3.33Å; D330-R334 WeakPolarHBondContact O-CG 3.4Å; D330-R334 PolarHBondContact O-N 3.29Å; D330-R334 IonicContact OD1-CZ 2.75Å; D330-R334 IonicContact OD1-NE 2.76Å; D330-R334 PolarHBondContact OD1-NE 3Å; D330-R334 IonicContact OD1-NH2 2.67Å; D330-R334 PolarHBondContact OD1-NH2 2.95Å; D330-R334 VanDerWaalsContact OD1-NH2 3.13Å; D330-R334 IonicContact OD2-CZ 2.77Å; D330-R334 IonicContact OD2-NE 3.21Å; D330-R334 PolarHBondContact OD2-NE 2.98Å; D330-R334 IonicContact OD2-NH2 3.84Å; D330-R334 PolarHBondContact OD2-NH2 3.23Å; R331-R334 PolarHBondContact O-N 3.02Å; R332-R334 VanDerWaalsContact C-N 3.31Å; R332-R334 PolarHBondContact O-N 3.29Å; R334-D336 VanDerWaalsContact C-N 3.32Å; R334-D336 PolarHBondContact O-N 3.02Å; R334-V337 PolarHBondContact O-N 3.3Å; R334-A338 PolarHBondContact O-N 3.23Å |
| 335 | L | 74.5 | Confident | 72.1 | Confident | 77 Ų | 77 | 77 Ų | 77 | 40% | 0.403 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 176.5 | -75 | 169 | 0 | 0 | 0 | 112.1 | R331 R332 A338 R339 | R331-L335 HydrophobicContact CG-CD1 4.09Å; R331-L335 WeakPolarHBondContact O-CB 3.48Å; R331-L335 VanDerWaalsContact O-CG 3.26Å; R331-L335 WeakPolarHBondContact O-CG 3.36Å; R331-L335 PolarHBondContact O-N 2.82Å; R332-L335 PolarHBondContact O-N 2.8Å; R332-L335 VanDerWaalsContact O-N 3.17Å; L335-A338 PolarHBondContact O-N 2.96Å; L335-R339 WeakPolarHBondContact O-CB 3.43Å; L335-R339 WeakPolarHBondContact O-CD 3.46Å; L335-R339 WeakPolarHBondContact O-CG 3.4Å; L335-R339 PolarHBondContact O-N 2.89Å |
| 336 | D | 72.3 | Confident | 73.5 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 20% | 0.198 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 175.5 | -76.5 | -14.5 | 0 | 0 | 0 | 111.2 | R313 R332 L333 R334 R339 S340 | R313-D336 IonicContact CZ-OD2 2.89Å; R313-D336 VanDerWaalsContact NH2-CB 3.26Å; R313-D336 IonicContact NH2-OD2 3.69Å; R313-D336 PolarHBondContact NH2-OD2 2.95Å; R332-D336 PolarHBondContact O-N 3.15Å; L333-D336 PolarHBondContact O-N 3.49Å; R334-D336 VanDerWaalsContact C-N 3.32Å; R334-D336 PolarHBondContact O-N 3.02Å; D336-R339 PolarHBondContact O-N 2.95Å; D336-S340 PolarHBondContact O-N 2.92Å; D336-S340 VanDerWaalsContact O-N 3.15Å; D336-S340 PolarHBondContact O-OG 3.28Å |
| 337 | V | 71.9 | Confident | 74.6 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 171.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | Q273 L333 R334 R339 S340 | Q273-V337 HydrophobicContact CG-CG1 4.05Å; Q273-V337 HydrophobicContact CG-CG2 3.83Å; L333-V337 WeakPolarHBondContact O-CG2 3.32Å; L333-V337 PolarHBondContact O-N 3.35Å; L333-V337 VanDerWaalsContact O-N 3.09Å; R334-V337 PolarHBondContact O-N 3.3Å; V337-R339 PolarHBondContact O-N 3.41Å; V337-S340 VanDerWaalsContact O-CB 3.3Å; V337-S340 WeakPolarHBondContact O-CB 3.22Å; V337-S340 PolarHBondContact O-N 3.46Å; V337-S340 VanDerWaalsContact O-N 3.14Å |
| 338 | A | 70.1 | Confident | 75.8 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -25.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I277 R334 L335 | I277-A338 HydrophobicContact CD1-CB 3.61Å; I277-A338 HydrophobicContact CG1-CB 4.13Å; R334-A338 PolarHBondContact O-N 3.23Å; L335-A338 PolarHBondContact O-N 2.96Å |
| 339 | R | 68.5 | Low | 76.8 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 56% | 0.562 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -85.8 | -14.9 | 177.1 | -75 | 168.2 | 174.8 | -176.4 | -3.4 | 113.1 | L335 D336 V337 K341 | L335-R339 WeakPolarHBondContact O-CB 3.43Å; L335-R339 WeakPolarHBondContact O-CD 3.46Å; L335-R339 WeakPolarHBondContact O-CG 3.4Å; L335-R339 PolarHBondContact O-N 2.89Å; D336-R339 PolarHBondContact O-N 2.95Å; V337-R339 PolarHBondContact O-N 3.41Å; R339-K341 PolarHBondContact O-N 3.1Å |
| 340 | S | 68.7 | Low | 77.8 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | trans | -61 | 120.4 | 175.9 | -65.9 | 0 | 0 | 0 | 0 | 109.3 | D336 V337 | D336-S340 PolarHBondContact O-N 2.92Å; D336-S340 VanDerWaalsContact O-N 3.15Å; D336-S340 PolarHBondContact O-OG 3.28Å; V337-S340 VanDerWaalsContact O-CB 3.3Å; V337-S340 WeakPolarHBondContact O-CB 3.22Å; V337-S340 PolarHBondContact O-N 3.46Å; V337-S340 VanDerWaalsContact O-N 3.14Å | ||
| 341 | K | 66.4 | Low | 78.9 | Confident | 183 Ų | 183 | 62.3 Ų | 62.3 | 80% | 0.796 | 31% | 0.312 | S | S | * | . | trans | -106.2 | 123.9 | 175.6 | -66.3 | -174 | 179 | -176 | 0 | 108 | R339 | R339-K341 PolarHBondContact O-N 3.1Š| ||
| 342 | G | 68.1 | Low | 79.8 | Confident | 56 Ų | 56 | 53.8 Ų | 53.8 | 58% | 0.577 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -178.4 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V344 | G342-V344 PolarHBondContact O-N 3.1Š|
| 343 | H | 72.8 | Confident | 80.6 | Confident | 163 Ų | 163 | 50.8 Ų | 50.8 | 76% | 0.755 | 27% | 0.27 | S | S | * | . | trans | -69.1 | 116.4 | 170.3 | -174 | 62.7 | 0 | 0 | 0 | 108.5 | C307 | C307-H343 VanDerWaalsContact CB-O 3.28Å; C307-H343 WeakPolarHBondContact CB-O 3.39Å | ||
| 344 | V | 83.2 | Confident | 81.1 | Confident | 73 Ų | 73 | 54 Ų | 54 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | trans | -62.5 | 137.3 | 174.7 | -69.3 | 0 | 0 | 0 | 0 | 109.3 | W305 G342 | W305-V344 HydrophobicContact CB-CB 4.23Å; G342-V344 PolarHBondContact O-N 3.1Å | ||
| 345 | V | 86.4 | Confident | 81.8 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -122.3 | 154.1 | -178.7 | -67.8 | 0 | 0 | 0 | 0 | 110 | F271 W305 S306 T347 | F271-V345 HydrophobicContact CB-CG2 3.64Å; F271-V345 HydrophobicContact CD1-CG2 4.03Å; F271-V345 HydrophobicContact CG-CG2 3.98Å; W305-V345 WeakPolarHBondContact CB-O 3.26Å; S306-V345 WeakPolarHBondContact O-CG2 3.31Å; S306-V345 PolarHBondContact O-N 3Å; V345-T347 PolarHBondContact O-N 3.47Å; V345-T347 PolarHBondContact O-OG1 3.49Å |
| 346 | P | 89.6 | Confident | 82.5 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | trans | -47 | 113 | 175.1 | -28.8 | 34.4 | 0 | 0 | 0 | 111.4 | F271 W305 | F271-P346 PolarHBondContact N-O 3.35Å; W305-P346 HydrophobicContact CE3-CG 4.31Å; W305-P346 HydrophobicContact CH2-CB 4.11Å; W305-P346 HydrophobicContact CH2-CG 3.74Å; W305-P346 HydrophobicContact CZ2-CB 4.06Å; W305-P346 HydrophobicContact CZ2-CG 4.21Å; W305-P346 HydrophobicContact CZ3-CB 4.37Å; W305-P346 HydrophobicContact CZ3-CG 3.79Å | ||
| 347 | T | 92 | Very high | 83.2 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 140.6 | -175.4 | -57.7 | 0 | 0 | 0 | 0 | 109.6 | F271 L300 S306 V345 | F271-T347 HydrophobicContact CD1-CG2 4.41Å; F271-T347 CarbonylContact O-C 3.54Å; F271-T347 VanDerWaalsContact O-CA 3.23Å; F271-T347 WeakPolarHBondContact O-CA 3.1Å; L300-T347 WeakPolarHBondContact CB-O 3.49Å; L300-T347 HydrophobicContact CD1-CG2 4.22Å; L300-T347 PolarHBondContact N-O 2.91Å; S306-T347 PolarHBondContact N-OG1 3.23Å; S306-T347 PolarHBondContact OG-OG1 3.04Å; V345-T347 PolarHBondContact O-N 3.47Å; V345-T347 PolarHBondContact O-OG1 3.49Å |
| 348 | G | 92.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 174.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | F271 E298 | F271-G348 PolarHBondContact O-N 3.03Å; E298-G348 CarbonylContact O-C 3.38Å; E298-G348 WeakPolarHBondContact O-CA 3.48Å |
| 349 | R | 92.5 | Very high | 84.6 | Confident | 55 Ų | 55 | 61 Ų | 61 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146 | 172.4 | 67.5 | 178.3 | 178.4 | -147.7 | -3.7 | 111.3 | R225 N285 V297 E298 L300 V351 | R225-R349 VanDerWaalsContact NH1-CZ 3.34Å; N285-R349 HydrophobicContact CB-CB 3.96Å; N285-R349 VanDerWaalsContact OD1-CB 3.31Å; N285-R349 WeakPolarHBondContact OD1-CB 3.4Å; V297-R349 VanDerWaalsContact CA-O 3.26Å; V297-R349 WeakPolarHBondContact CA-O 3.25Å; E298-R349 HydrophobicContact CB-CG 4.2Å; E298-R349 PolarHBondContact N-O 3Å; E298-R349 PolarHBondContact O-N 2.72Å; E298-R349 IonicContact OE1-CZ 3.39Å; E298-R349 IonicContact OE1-NH2 3.41Å; E298-R349 PolarHBondContact OE1-NH2 2.86Å; E298-R349 IonicContact OE2-CZ 2.8Å; E298-R349 IonicContact OE2-NE 2.77Å; E298-R349 PolarHBondContact OE2-NE 3.18Å; E298-R349 IonicContact OE2-NH2 3.61Å; E298-R349 PolarHBondContact OE2-NH2 2.63Å; L300-R349 HydrophobicContact CD2-CB 4.45Å; L300-R349 HydrophobicContact CD2-CG 4.03Å; R349-V351 HydrophobicContact CG-CG1 4.06Å; R349-V351 PolarHBondContact O-N 3.46Å |
| 350 | V | 94.2 | Very high | 85.4 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 116.9 | 178.2 | -179 | 0 | 0 | 0 | 0 | 109.8 | Y227 F247 N285 N287 A289 V295 V297 | Y227-V350 HydrophobicContact CE1-CG1 4.13Å; F247-V350 HydrophobicContact CD2-CG2 4.12Å; F247-V350 HydrophobicContact CE2-CG2 4.11Å; N285-V350 PolarHBondContact O-N 2.84Å; N287-V350 HydrophobicContact CB-CB 4.18Å; N287-V350 HydrophobicContact CB-CG1 4.5Å; N287-V350 PolarHBondContact ND2-O 2.76Å; A289-V350 HydrophobicContact CB-CG1 4.32Å; A289-V350 HydrophobicContact CB-CG2 4.37Å; V295-V350 HydrophobicContact CB-CG1 4.04Å; V295-V350 HydrophobicContact CG1-CG1 4.18Å; V295-V350 HydrophobicContact CG2-CG2 4.45Å; V297-V350 HydrophobicContact CG1-CG2 4.08Å |
| 351 | V | 93.6 | Very high | 86.5 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 9% | 0.085 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -10 | -178.4 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | Y227 L228 L233 F242 V296 E298 R349 | Y227-V351 WeakPolarHBondContact CD1-O 3.14Å; L228-V351 HydrophobicContact CD1-CB 4.05Å; L228-V351 HydrophobicContact CD1-CG2 4.16Å; L228-V351 HydrophobicContact CG-CB 4.33Å; L228-V351 PolarHBondContact N-O 3.32Å; L233-V351 HydrophobicContact CD2-CG2 3.94Å; F242-V351 HydrophobicContact CD1-CG2 4.34Å; F242-V351 HydrophobicContact CD2-CG2 4.39Å; F242-V351 HydrophobicContact CE1-CG2 4.34Å; F242-V351 HydrophobicContact CE2-CG2 4.4Å; F242-V351 HydrophobicContact CG-CG2 4.4Å; F242-V351 HydrophobicContact CZ-CG2 4.38Å; V296-V351 HydrophobicContact CB-CG2 4.29Å; V296-V351 HydrophobicContact CG1-CG2 3.96Å; V296-V351 PolarHBondContact O-N 2.75Å; E298-V351 HydrophobicContact CB-CG1 3.72Å; R349-V351 HydrophobicContact CG-CG1 4.06Å; R349-V351 PolarHBondContact O-N 3.46Å |
| 352 | G | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.6 | 162.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V295 V296 | V295-G352 WeakPolarHBondContact CA-O 3.4Å; V296-G352 PolarHBondContact N-O 2.82Å; V296-G352 PolarHBondContact O-N 3.24Å |
| 353 | I | 91.8 | Very high | 88.9 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123 | 176.2 | -60 | 177.6 | 0 | 0 | 0 | 108.2 | Y227 A289 D293 V295 Q355 R356 | Y227-I353 HydrophobicContact CE1-CD1 4.48Å; Y227-I353 HydrophobicContact CE1-CG1 4.29Å; Y227-I353 HydrophobicContact CE2-CD1 3.87Å; Y227-I353 HydrophobicContact CE2-CG1 4.2Å; Y227-I353 WeakPolarHBondContact OH-CD1 3.31Å; A289-I353 HydrophobicContact CB-CD1 4.4Å; D293-I353 HydrophobicContact CB-CG2 4.44Å; V295-I353 HydrophobicContact CG1-CG1 4.23Å; I353-Q355 WeakPolarHBondContact CG2-O 3.26Å; I353-R356 HydrophobicContact CG2-CG 4.2Å |
| 354 | L | 87.9 | Confident | 89.7 | Confident | 70 Ų | 70 | 37.4 Ų | 37.4 | 37% | 0.366 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -36 | 177.7 | -60.8 | 179.3 | 0 | 0 | 0 | 111.5 | L233 L237 Q244 V294 V296 | L233-L354 HydrophobicContact CD1-CD2 4.46Å; L237-L354 HydrophobicContact CD1-CD1 4.46Å; Q244-L354 HydrophobicContact CB-CD1 4.09Å; Q244-L354 VanDerWaalsContact OE1-CD1 3.31Å; V294-L354 HydrophobicContact CG1-CB 4.3Å; V294-L354 HydrophobicContact CG1-CD1 4.45Å; V294-L354 PolarHBondContact O-N 3.2Å; V296-L354 HydrophobicContact CG2-CD1 3.81Å; V296-L354 HydrophobicContact CG2-CD2 3.77Å; V296-L354 HydrophobicContact CG2-CG 3.62Å |
| 355 | Q | 88.7 | Confident | 90 | Very high | 131 Ų | 131 | 34 Ų | 34 | 61% | 0.612 | 17% | 0.168 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 126.1 | 179.1 | -173 | -179.3 | -13.9 | 0 | 0 | 110 | V294 I353 | V294-Q355 HydrophobicContact CB-CB 3.87Å; V294-Q355 HydrophobicContact CG2-CB 4Å; V294-Q355 PolarHBondContact N-O 3.29Å; V294-Q355 PolarHBondContact O-N 2.65Å; I353-Q355 WeakPolarHBondContact CG2-O 3.26Å |
| 356 | R | 88.7 | Confident | 89.7 | Confident | 77 Ų | 77 | 34.1 Ų | 34.1 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | trans | -82.3 | 143.5 | 174 | -67.9 | -74.1 | -170 | 171.1 | 7.3 | 110.5 | R288 D293 I353 W358 | R288-R356 PolarHBondContact O-NH1 3.19Å; D293-R356 WeakPolarHBondContact OD1-CA 3.41Å; D293-R356 IonicContact OD2-NH1 2.67Å; I353-R356 HydrophobicContact CG2-CG 4.2Å; R356-W358 HydrophobicContact CB-CD2 4.25Å; R356-W358 HydrophobicContact CB-CG 4.16Å; R356-W358 HydrophobicContact CG-CD2 4.27Å; R356-W358 VanDerWaalsContact NH1-CZ2 3.31Å | ||
| 357 | N | 87.8 | Confident | 88.8 | Confident | 50 Ų | 50 | 35.1 Ų | 35.1 | 27% | 0.267 | 17% | 0.173 | S | C | . | . | trans | -107.2 | 42.6 | 169.8 | -168.4 | 56.4 | 0 | 0 | 0 | 111.1 | N291 N292 D293 R359 | N291-N357 PolarHBondContact O-ND2 3.05Å; N292-N357 HydrophobicContact CB-CB 4.18Å; D293-N357 PolarHBondContact OD1-N 2.83Å; N357-R359 PolarHBondContact O-N 3.26Å; N357-R359 VanDerWaalsContact O-N 3.13Å | ||
| 358 | W | 85.8 | Confident | 87.4 | Confident | 73 Ų | 73 | 37.5 Ų | 37.5 | 28% | 0.277 | 19% | 0.192 | S | C | . | . | trans | -79.2 | 94.1 | 175.4 | -64.5 | -8.9 | 0 | 0 | 0 | 109.1 | R356 I406 D407 W409 | R356-W358 HydrophobicContact CB-CD2 4.25Å; R356-W358 HydrophobicContact CB-CG 4.16Å; R356-W358 HydrophobicContact CG-CD2 4.27Å; R356-W358 VanDerWaalsContact NH1-CZ2 3.31Å; W358-I406 HydrophobicContact CB-CB 4.45Å; W358-I406 HydrophobicContact CD2-CB 4.11Å; W358-I406 HydrophobicContact CD2-CG2 3.72Å; W358-I406 HydrophobicContact CE3-CB 4.49Å; W358-I406 HydrophobicContact CE3-CG2 4.02Å; W358-I406 HydrophobicContact CG-CB 4.1Å; W358-I406 HydrophobicContact CG-CG2 4.19Å; W358-I406 HydrophobicContact CH2-CG2 4.21Å; W358-I406 HydrophobicContact CZ2-CG2 3.88Å; W358-I406 HydrophobicContact CZ3-CG2 4.27Å; W358-D407 WeakPolarHBondContact CZ3-O 3.3Å; W358-W409 HydrophobicContact CZ2-CB 4.45Å | ||
| 359 | R | 84.1 | Confident | 85.7 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 13% | 0.132 | 23% | 0.227 | C | C | . | . | trans | -102 | 164.5 | 174 | 60.7 | 176.6 | -176.3 | 131.7 | 5.1 | 109.7 | N357 V361 L439 E440 | N357-R359 PolarHBondContact O-N 3.26Å; N357-R359 VanDerWaalsContact O-N 3.13Å; R359-V361 WeakPolarHBondContact O-CG2 3.46Å; R359-V361 PolarHBondContact O-N 2.85Å; R359-L439 PolarHBondContact NH1-O 3.25Å; R359-E440 IonicContact CZ-OE2 3.57Å; R359-E440 VanDerWaalsContact NH1-C 3.35Å; R359-E440 PolarHBondContact NH1-O 2.88Å; R359-E440 IonicContact NH1-OE2 2.87Å; R359-E440 PolarHBondContact NH2-O 3.36Å; R359-E440 IonicContact NH2-OE2 3.47Å; R359-E440 PolarHBondContact NH2-OE2 3.01Å | ||
| 360 | P | 87.2 | Confident | 83.8 | Confident | 72 Ų | 72 | 47.8 Ų | 47.8 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | trans | -55.7 | 132.1 | 162.7 | -21.5 | 33.2 | 0 | 0 | 0 | 110.2 | V403 V405 | P360-V403 HydrophobicContact CB-CG1 3.54Å; P360-V405 HydrophobicContact CB-CG2 4.03Å; P360-V405 HydrophobicContact CG-CG2 4.01Å | ||
| 361 | V | 90.4 | Very high | 81.9 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133 | -176 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | R359 P379 I384 I387 V403 V404 | R359-V361 WeakPolarHBondContact O-CG2 3.46Å; R359-V361 PolarHBondContact O-N 2.85Å; V361-P379 HydrophobicContact CG1-CB 3.62Å; V361-P379 HydrophobicContact CG1-CG 4.04Å; V361-I384 HydrophobicContact CG1-CD1 3.88Å; V361-I384 HydrophobicContact CG2-CD1 3.77Å; V361-I387 HydrophobicContact CB-CD1 4.49Å; V361-V403 WeakPolarHBondContact O-CA 3.39Å; V361-V404 HydrophobicContact CB-CG2 4.33Å; V361-V404 PolarHBondContact N-O 3.32Å; V361-V404 PolarHBondContact O-N 3.27Å |
| 362 | C | 92.8 | Very high | 80.5 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 129.8 | 171.2 | -65.5 | 0 | 0 | 0 | 0 | 109 | P379 A380 I402 V436 E440 | C362-P379 CarbonylContact O-C 3.56Å; C362-P379 WeakPolarHBondContact O-CA 3.44Å; C362-A380 HydrophobicContact CB-CB 4.38Å; C362-A380 PolarHBondContact O-N 3.42Å; C362-I402 CarbonylContact C-O 3.54Å; C362-I402 WeakPolarHBondContact CA-O 3.35Å; C362-V436 HydrophobicContact CB-CB 4.33Å; C362-V436 HydrophobicContact CB-CG1 3.68Å; C362-V436 HydrophobicContact CB-CG2 4.18Å; C362-E440 HydrophobicContact CB-CG 4.18Å; C362-E440 WeakPolarHBondContact CB-OE1 3.4Å; C362-E440 PolarHBondContact N-OE1 2.95Å |
| 363 | A | 92.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A377 V378 I402 V404 | A363-A377 HydrophobicContact CB-CB 3.91Å; A363-V378 CarbonylContact C-O 3.57Å; A363-V378 WeakPolarHBondContact CA-O 3.43Å; A363-V378 WeakPolarHBondContact CB-O 3.5Å; A363-I402 HydrophobicContact CB-CG1 4.38Å; A363-I402 PolarHBondContact N-O 2.77Å; A363-I402 WeakPolarHBondContact O-CG1 3.21Å; A363-I402 PolarHBondContact O-N 2.83Å; A363-V404 HydrophobicContact CB-CG2 3.8Å |
| 364 | M | 90.1 | Very high | 78.7 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 154.2 | 167.2 | -67.2 | 171.3 | -58.8 | 0 | 0 | 109.8 | A377 V378 R401 V427 Q925 H926 | M364-A377 CarbonylContact O-C 3.57Å; M364-A377 VanDerWaalsContact O-CA 3.29Å; M364-A377 WeakPolarHBondContact O-CA 3.46Å; M364-V378 PolarHBondContact N-O 3.08Å; M364-V378 PolarHBondContact O-N 2.9Å; M364-R401 VanDerWaalsContact SD-CZ 3.55Å; M364-R401 PolarHBondContact SD-NH1 3.42Å; M364-V427 HydrophobicContact CG-CG2 3.9Å; M364-V427 HydrophobicContact SD-CB 4.45Å; M364-V427 HydrophobicContact SD-CG1 3.98Å; M364-V427 HydrophobicContact SD-CG2 3.52Å; M364-V427 VanDerWaalsContact SD-CG2 3.52Å; M364-Q925 HydrophobicContact CE-CB 3.96Å; M364-Q925 WeakPolarHBondContact CE-O 3.21Å; M364-Q925 HydrophobicContact SD-CB 3.9Å; M364-H926 VanDerWaalsContact CE-NE2 3.25Å; M364-H926 WeakPolarHBondContact CE-NE2 3.45Å |
| 365 | L | 87.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.7 | 179.4 | -149.9 | 129.6 | 0 | 0 | 0 | 110.3 | H375 I389 T391 A394 L397 L398 I402 Q925 | L365-H375 HydrophobicContact CD1-CB 4.03Å; L365-H375 HydrophobicContact CD2-CB 3.65Å; L365-H375 WeakPolarHBondContact CD2-ND1 3.5Å; L365-H375 HydrophobicContact CG-CB 3.79Å; L365-I389 HydrophobicContact CD1-CD1 3.68Å; L365-T391 HydrophobicContact CD1-CG2 3.81Å; L365-A394 HydrophobicContact CD2-CB 4.12Å; L365-L397 HydrophobicContact CD1-CB 4Å; L365-L397 HydrophobicContact CD1-CD1 4.25Å; L365-L398 HydrophobicContact CD2-CD2 4.03Å; L365-L398 HydrophobicContact CD2-CG 4.34Å; L365-I402 HydrophobicContact CD1-CD1 4.48Å; L365-Q925 PolarHBondContact O-NE2 2.78Å; L365-Q925 VanDerWaalsContact O-NE2 3.08Å; L365-Q925 PolarHBondContact O-OE1 3.37Å |
| 366 | Q | 81.9 | Confident | 78.5 | Confident | 44 Ų | 44 | 55 Ų | 55 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.2 | 172.7 | -170.2 | 174.7 | 12.1 | 0 | 0 | 109.5 | A368 L376 V378 | Q366-A368 PolarHBondContact O-N 3.37Å; Q366-A368 VanDerWaalsContact O-N 3.17Å; Q366-L376 HydrophobicContact CB-CB 4.31Å; Q366-L376 WeakPolarHBondContact CB-O 3.42Å; Q366-L376 PolarHBondContact N-O 3.28Å; Q366-V378 HydrophobicContact CB-CG2 4.2Å |
| 367 | P | 69 | Low | 78.6 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 121.6 | 174.3 | -23.6 | 33 | 0 | 0 | 0 | 111 | L398 | P367-L398 HydrophobicContact CB-CD2 4.4Å; P367-L398 HydrophobicContact CG-CD2 4.11Å |
| 368 | A | 63.9 | Low | 78.7 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 138.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q366 | Q366-A368 PolarHBondContact O-N 3.37Å; Q366-A368 VanDerWaalsContact O-N 3.17Å |
| 369 | L | 56 | Low | 78.9 | Confident | 140 Ų | 140 | 46.3 Ų | 46.3 | 73% | 0.733 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -88 | -22.9 | 176.4 | -78.7 | 156.9 | 0 | 0 | 0 | 113.8 | ||
| 370 | V | 51.8 | Low | 79.1 | Confident | 131 Ų | 131 | 46.4 Ų | 46.4 | 79% | 0.794 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -137.2 | -32.5 | -160.2 | -164.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 371 | T | 54.6 | Low | 79 | Confident | 67 Ų | 67 | 43.9 Ų | 43.9 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | trans | -144.8 | 141.2 | -171.9 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | T373 | T371-T373 PolarHBondContact O-N 3.24Š| ||
| 372 | N | 63.8 | Low | 78.7 | Confident | 152 Ų | 152 | 48.3 Ų | 48.3 | 81% | 0.813 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -70 | -20.4 | -175.9 | -75.2 | 7.3 | 0 | 0 | 0 | 115.5 | H375 | N372-H375 PolarHBondContact O-NE2 3.28Š|
| 373 | T | 69.1 | Low | 78.4 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -108.8 | -22 | -172.6 | 57 | 0 | 0 | 0 | 0 | 115.1 | T371 H375 E390 T391 | T371-T373 PolarHBondContact O-N 3.24Å; T373-H375 PolarHBondContact O-CD2 3.28Å; T373-E390 CarbonylContact O-C 3.53Å; T373-E390 VanDerWaalsContact O-CA 3.3Å; T373-E390 WeakPolarHBondContact O-CA 3.39Å; T373-T391 PolarHBondContact O-N 3.18Å |
| 374 | R | 79.1 | Confident | 78.2 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.9 | -177.2 | -71.8 | 179.5 | 171.7 | 175.5 | -1.7 | 110.2 | C214 E390 | C214-R374 PolarHBondContact O-NH2 3.01Å; C214-R374 VanDerWaalsContact O-NH2 3.07Å; R374-E390 HydrophobicContact CG-CG 4.13Å; R374-E390 IonicContact CZ-OE1 3.47Å; R374-E390 IonicContact NE-OE1 3.34Å; R374-E390 PolarHBondContact NE-OE1 3.23Å; R374-E390 IonicContact NH2-OE1 2.77Å; R374-E390 PolarHBondContact NH2-OE1 2.81Å |
| 375 | H | 84 | Confident | 78.1 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 155.8 | -174.6 | -58.9 | -83.8 | 0 | 0 | 0 | 110.2 | L365 N372 T373 R388 I389 A394 | L365-H375 HydrophobicContact CD1-CB 4.03Å; L365-H375 HydrophobicContact CD2-CB 3.65Å; L365-H375 WeakPolarHBondContact CD2-ND1 3.5Å; L365-H375 HydrophobicContact CG-CB 3.79Å; N372-H375 PolarHBondContact O-NE2 3.28Å; T373-H375 PolarHBondContact O-CD2 3.28Å; H375-R388 WeakPolarHBondContact O-CA 3.35Å; H375-I389 HydrophobicContact CB-CG1 4.27Å; H375-I389 PolarHBondContact N-O 2.97Å; H375-I389 PolarHBondContact O-N 2.91Å; H375-A394 WeakPolarHBondContact CE1-CB 3.43Å; H375-A394 VanDerWaalsContact NE2-CB 3.27Å; H375-A394 WeakPolarHBondContact NE2-CB 3.47Å |
| 376 | L | 88.2 | Confident | 78.2 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118 | 171.7 | -70.5 | 171.2 | 0 | 0 | 0 | 108.3 | D320 Q366 W386 I387 R388 Y415 | D320-L376 HydrophobicContact CB-CD1 4.21Å; D320-L376 WeakPolarHBondContact OD2-CD1 3.39Å; Q366-L376 HydrophobicContact CB-CB 4.31Å; Q366-L376 WeakPolarHBondContact CB-O 3.42Å; Q366-L376 PolarHBondContact N-O 3.28Å; L376-W386 HydrophobicContact CD1-CE3 3.97Å; L376-W386 HydrophobicContact CD1-CZ3 4.4Å; L376-I387 CarbonylContact C-O 3.55Å; L376-R388 HydrophobicContact CD2-CB 4.23Å; L376-Y415 HydrophobicContact CD1-CE2 4.05Å; L376-Y415 HydrophobicContact CD2-CD2 3.67Å; L376-Y415 HydrophobicContact CD2-CE2 3.98Å; L376-Y415 HydrophobicContact CD2-CG 3.95Å |
| 377 | A | 90.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 122.7 | 166 | 0 | 0 | 0 | 0 | 0 | 108.5 | A363 M364 P379 W386 I387 I389 V404 | A363-A377 HydrophobicContact CB-CB 3.91Å; M364-A377 CarbonylContact O-C 3.57Å; M364-A377 VanDerWaalsContact O-CA 3.29Å; M364-A377 WeakPolarHBondContact O-CA 3.46Å; A377-P379 WeakPolarHBondContact O-CD 3.48Å; A377-W386 WeakPolarHBondContact O-CA 3.13Å; A377-I387 HydrophobicContact CB-CB 4.41Å; A377-I387 PolarHBondContact N-O 2.83Å; A377-I387 PolarHBondContact O-N 3.02Å; A377-I389 HydrophobicContact CB-CD1 4.22Å; A377-I389 HydrophobicContact CB-CG1 4.33Å; A377-I389 HydrophobicContact CB-CG2 4.31Å; A377-V404 HydrophobicContact CB-CG1 4.02Å; A377-V404 HydrophobicContact CB-CG2 4.22Å |
| 378 | V | 89.9 | Confident | 79.6 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.7 | 177.6 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | A363 M364 Q366 W386 H926 | A363-V378 CarbonylContact C-O 3.57Å; A363-V378 WeakPolarHBondContact CA-O 3.43Å; A363-V378 WeakPolarHBondContact CB-O 3.5Å; M364-V378 PolarHBondContact N-O 3.08Å; M364-V378 PolarHBondContact O-N 2.9Å; Q366-V378 HydrophobicContact CB-CG2 4.2Å; V378-W386 HydrophobicContact CG2-CD2 4.3Å; V378-W386 HydrophobicContact CG2-CG 4.29Å; V378-H926 WeakPolarHBondContact CG1-NE2 3.37Å |
| 379 | P | 90.9 | Very high | 80.7 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 144.7 | 176.2 | -30.8 | 40.4 | 0 | 0 | 0 | 113.7 | V361 C362 A377 D381 I384 P385 I387 | V361-P379 HydrophobicContact CG1-CB 3.62Å; V361-P379 HydrophobicContact CG1-CG 4.04Å; C362-P379 CarbonylContact O-C 3.56Å; C362-P379 WeakPolarHBondContact O-CA 3.44Å; A377-P379 WeakPolarHBondContact O-CD 3.48Å; P379-D381 VanDerWaalsContact C-N 3.32Å; P379-I384 HydrophobicContact CB-CB 3.9Å; P379-I384 HydrophobicContact CB-CG2 4.24Å; P379-I384 HydrophobicContact CG-CB 3.91Å; P379-I384 HydrophobicContact CG-CG2 3.77Å; P379-P385 WeakPolarHBondContact CG-O 3.41Å; P379-I387 HydrophobicContact CG-CD1 4.19Å; P379-I387 HydrophobicContact CG-CG1 4.4Å |
| 380 | A | 87.2 | Confident | 82 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 31% | 0.306 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -64.4 | -38.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C362 K382 V436 E440 | C362-A380 HydrophobicContact CB-CB 4.38Å; C362-A380 PolarHBondContact O-N 3.42Å; A380-K382 PolarHBondContact O-N 3.23Å; A380-V436 HydrophobicContact CB-CG1 4.02Å; A380-E440 HydrophobicContact CB-CG 4.12Å |
| 381 | D | 85.3 | Confident | 83.3 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -78 | 102.3 | 168.5 | -172.3 | -6.9 | 0 | 0 | 0 | 111 | P379 R383 I384 | P379-D381 VanDerWaalsContact C-N 3.32Å; D381-R383 PolarHBondContact O-N 2.94Å; D381-R383 WeakPolarHBondContact OD1-CB 3.34Å; D381-R383 IonicContact OD1-CZ 3.38Å; D381-R383 PolarHBondContact OD1-N 2.86Å; D381-R383 IonicContact OD1-NE 2.83Å; D381-R383 PolarHBondContact OD1-NE 2.99Å; D381-R383 IonicContact OD1-NH2 2.69Å; D381-R383 PolarHBondContact OD1-NH2 3.25Å; D381-R383 IonicContact OD2-CZ 3.5Å; D381-R383 IonicContact OD2-NE 3.27Å; D381-R383 PolarHBondContact OD2-NE 2.92Å; D381-R383 IonicContact OD2-NH2 3.75Å; D381-R383 PolarHBondContact OD2-NH2 2.82Å; D381-I384 HydrophobicContact CB-CD1 4.04Å; D381-I384 HydrophobicContact CB-CG1 4.14Å; D381-I384 WeakPolarHBondContact O-CB 3.46Å; D381-I384 PolarHBondContact O-N 3.33Å |
| 382 | K | 83.6 | Confident | 84.5 | Confident | 95 Ų | 95 | 45 Ų | 45 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -7 | -179.9 | -58.8 | 170.1 | -177.3 | 173 | 0 | 115.1 | Q315 E316 A380 | Q315-K382 PolarHBondContact OE1-O 2.77Å; E316-K382 HydrophobicContact CB-CD 4.25Å; E316-K382 VanDerWaalsContact CD-CE 3.41Å; E316-K382 HydrophobicContact CG-CD 4.3Å; E316-K382 IonicContact OE1-NZ 3.32Å; E316-K382 PolarHBondContact OE1-NZ 3.29Å; E316-K382 WeakPolarHBondContact OE2-CE 3.42Å; E316-K382 IonicContact OE2-NZ 2.78Å; E316-K382 PolarHBondContact OE2-NZ 2.77Å; A380-K382 PolarHBondContact O-N 3.23Å |
| 383 | R | 86.3 | Confident | 85.2 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 24% | 0.242 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -12.6 | 173.3 | -63.9 | 170.4 | -67.5 | 172.5 | 1.2 | 112.6 | V249 N291 D381 | V249-R383 HydrophobicContact CB-CB 4.07Å; V249-R383 HydrophobicContact CB-CG 4.24Å; V249-R383 HydrophobicContact CG1-CB 4.25Å; V249-R383 HydrophobicContact CG1-CG 4.3Å; N291-R383 HydrophobicContact CB-CB 4.15Å; D381-R383 PolarHBondContact O-N 2.94Å; D381-R383 WeakPolarHBondContact OD1-CB 3.34Å; D381-R383 IonicContact OD1-CZ 3.38Å; D381-R383 PolarHBondContact OD1-N 2.86Å; D381-R383 IonicContact OD1-NE 2.83Å; D381-R383 PolarHBondContact OD1-NE 2.99Å; D381-R383 IonicContact OD1-NH2 2.69Å; D381-R383 PolarHBondContact OD1-NH2 3.25Å; D381-R383 IonicContact OD2-CZ 3.5Å; D381-R383 IonicContact OD2-NE 3.27Å; D381-R383 PolarHBondContact OD2-NE 2.92Å; D381-R383 IonicContact OD2-NH2 3.75Å; D381-R383 PolarHBondContact OD2-NH2 2.82Å |
| 384 | I | 89.1 | Confident | 85.8 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -93 | 129 | 176.4 | -55.9 | -179.5 | 0 | 0 | 0 | 107.4 | I290 V361 P379 D381 I406 | I290-I384 HydrophobicContact CG2-CG1 4.4Å; I290-I384 HydrophobicContact CG2-CG2 4.45Å; V361-I384 HydrophobicContact CG1-CD1 3.88Å; V361-I384 HydrophobicContact CG2-CD1 3.77Å; P379-I384 HydrophobicContact CB-CB 3.9Å; P379-I384 HydrophobicContact CB-CG2 4.24Å; P379-I384 HydrophobicContact CG-CB 3.91Å; P379-I384 HydrophobicContact CG-CG2 3.77Å; D381-I384 HydrophobicContact CB-CD1 4.04Å; D381-I384 HydrophobicContact CB-CG1 4.14Å; D381-I384 WeakPolarHBondContact O-CB 3.46Å; D381-I384 PolarHBondContact O-N 3.33Å; I384-I406 HydrophobicContact CG2-CD1 4.5Å |
| 385 | P | 88.3 | Confident | 85.9 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 155.8 | 176.2 | 28.8 | -37.3 | 0 | 0 | 0 | 110.6 | I290 P379 W409 P416 | I290-P385 HydrophobicContact CD1-CG 4.3Å; I290-P385 HydrophobicContact CG1-CG 4.39Å; P379-P385 WeakPolarHBondContact CG-O 3.41Å; P385-W409 HydrophobicContact CB-CH2 4.02Å; P385-W409 HydrophobicContact CG-CH2 3.58Å; P385-W409 HydrophobicContact CG-CZ2 4.41Å; P385-W409 HydrophobicContact CG-CZ3 3.73Å; P385-P416 HydrophobicContact CG-CG 3.99Å |
| 386 | W | 90.3 | Very high | 86 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 144.5 | 173 | -58.2 | -15.5 | 0 | 0 | 0 | 110.7 | D320 L376 A377 V378 Y415 P416 | D320-W386 HydrophobicContact CB-CH2 4.38Å; D320-W386 HydrophobicContact CB-CZ3 3.68Å; L376-W386 HydrophobicContact CD1-CE3 3.97Å; L376-W386 HydrophobicContact CD1-CZ3 4.4Å; A377-W386 WeakPolarHBondContact O-CA 3.13Å; V378-W386 HydrophobicContact CG2-CD2 4.3Å; V378-W386 HydrophobicContact CG2-CG 4.29Å; W386-Y415 HydrophobicContact CB-CD1 3.98Å; W386-Y415 HydrophobicContact CB-CE1 4.12Å; W386-Y415 AromaticContact CE3-CE1 3.96Å; W386-Y415 HydrophobicContact CE3-CE1 3.96Å; W386-Y415 WeakPolarHBondContact O-CB 3.3Å; W386-P416 VanDerWaalsContact O-CD 3.25Å; W386-P416 WeakPolarHBondContact O-CD 3.41Å |
| 387 | I | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.7 | -172.8 | -55.7 | 165.3 | 0 | 0 | 0 | 107.9 | V361 L376 A377 P379 I389 V404 I406 P416 | V361-I387 HydrophobicContact CB-CD1 4.49Å; L376-I387 CarbonylContact C-O 3.55Å; A377-I387 HydrophobicContact CB-CB 4.41Å; A377-I387 PolarHBondContact N-O 2.83Å; A377-I387 PolarHBondContact O-N 3.02Å; P379-I387 HydrophobicContact CG-CD1 4.19Å; P379-I387 HydrophobicContact CG-CG1 4.4Å; I387-I389 HydrophobicContact CG2-CG2 4.26Å; I387-V404 HydrophobicContact CD1-CG2 3.66Å; I387-I406 HydrophobicContact CD1-CD1 3.98Å; I387-I406 HydrophobicContact CD1-CG1 3.65Å; I387-I406 HydrophobicContact CG1-CD1 4.14Å; I387-I406 HydrophobicContact CG1-CG1 3.95Å; I387-I406 HydrophobicContact CG2-CG1 4.29Å; I387-P416 HydrophobicContact CB-CG 4.45Å; I387-P416 HydrophobicContact CG1-CG 3.99Å |
| 388 | R | 89.3 | Confident | 85.7 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125 | 173.5 | 179.7 | 165.7 | -63.5 | 176.2 | 9.7 | 109.7 | D323 H375 L376 P416 L417 G418 | D323-R388 VanDerWaalsContact CG-NH2 3.35Å; D323-R388 IonicContact OD1-NH2 3.82Å; D323-R388 IonicContact OD2-CZ 3.45Å; D323-R388 IonicContact OD2-NH1 2.69Å; D323-R388 PolarHBondContact OD2-NH1 2.89Å; D323-R388 IonicContact OD2-NH2 3.45Å; D323-R388 PolarHBondContact OD2-NH2 3.41Å; H375-R388 WeakPolarHBondContact O-CA 3.35Å; L376-R388 HydrophobicContact CD2-CB 4.23Å; R388-P416 PolarHBondContact N-O 2.93Å; R388-L417 HydrophobicContact CB-CD2 4.01Å; R388-L417 HydrophobicContact CG-CD2 4.14Å; R388-L417 WeakPolarHBondContact O-CA 3.42Å; R388-G418 PolarHBondContact O-N 3.14Å |
| 389 | I | 87.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.4 | 176 | 59.2 | 164.7 | 0 | 0 | 0 | 110 | L365 H375 A377 I387 T391 I402 V404 G418 | L365-I389 HydrophobicContact CD1-CD1 3.68Å; H375-I389 HydrophobicContact CB-CG1 4.27Å; H375-I389 PolarHBondContact N-O 2.97Å; H375-I389 PolarHBondContact O-N 2.91Å; A377-I389 HydrophobicContact CB-CD1 4.22Å; A377-I389 HydrophobicContact CB-CG1 4.33Å; A377-I389 HydrophobicContact CB-CG2 4.31Å; I387-I389 HydrophobicContact CG2-CG2 4.26Å; I389-T391 HydrophobicContact CD1-CG2 4.13Å; I389-I402 HydrophobicContact CD1-CD1 4.22Å; I389-V404 HydrophobicContact CG2-CG1 4.16Å; I389-G418 WeakPolarHBondContact CG2-O 3.23Å |
| 390 | E | 82.2 | Confident | 85.5 | Confident | 78 Ų | 78 | 55 Ų | 55 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.4 | 169 | -57.8 | -161.1 | 156.3 | 0 | 0 | 108.5 | T373 R374 | T373-E390 CarbonylContact O-C 3.53Å; T373-E390 VanDerWaalsContact O-CA 3.3Å; T373-E390 WeakPolarHBondContact O-CA 3.39Å; R374-E390 HydrophobicContact CG-CG 4.13Å; R374-E390 IonicContact CZ-OE1 3.47Å; R374-E390 IonicContact NE-OE1 3.34Å; R374-E390 PolarHBondContact NE-OE1 3.23Å; R374-E390 IonicContact NH2-OE1 2.77Å; R374-E390 PolarHBondContact NH2-OE1 2.81Å |
| 391 | T | 80.5 | Confident | 85.8 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | trans | -142.9 | 141.3 | 178.2 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | E206 L365 T373 I389 Q393 A394 L397 | E206-T391 VanDerWaalsContact CD-OG1 3.24Å; E206-T391 PolarHBondContact OE1-OG1 2.89Å; E206-T391 PolarHBondContact OE2-OG1 3.22Å; L365-T391 HydrophobicContact CD1-CG2 3.81Å; T373-T391 PolarHBondContact O-N 3.18Å; I389-T391 HydrophobicContact CD1-CG2 4.13Å; T391-Q393 PolarHBondContact OG1-N 3.18Å; T391-Q393 VanDerWaalsContact OG1-N 3.09Å; T391-A394 HydrophobicContact CG2-CB 4.43Å; T391-L397 HydrophobicContact CG2-CD1 4.23Å | ||
| 392 | R | 78.7 | Confident | 86.1 | Confident | 209 Ų | 209 | 53.6 Ų | 53.6 | 79% | 0.789 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -96.2 | -10.5 | 173.6 | -62.7 | 179.4 | -176.3 | 159.4 | 3.8 | 111.4 | E206 | E206-R392 PolarHBondContact OE1-N 2.88Š|
| 393 | Q | 79.1 | Confident | 86.6 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | trans | -96.6 | 23.7 | 179.1 | -64.9 | -172.1 | 1.9 | 0 | 0 | 113.3 | E206 T391 E395 R396 L397 | E206-Q393 WeakPolarHBondContact OE1-CG 3.44Å; E206-Q393 PolarHBondContact OE1-N 2.84Å; E206-Q393 VanDerWaalsContact OE1-N 3.16Å; T391-Q393 PolarHBondContact OG1-N 3.18Å; T391-Q393 VanDerWaalsContact OG1-N 3.09Å; Q393-E395 PolarHBondContact O-N 2.71Å; Q393-E395 VanDerWaalsContact O-N 3.13Å; Q393-R396 HydrophobicContact CB-CB 4.39Å; Q393-R396 WeakPolarHBondContact O-CA 3.45Å; Q393-R396 WeakPolarHBondContact O-CB 3.46Å; Q393-R396 PolarHBondContact O-N 3.46Å; Q393-L397 HydrophobicContact CB-CG 4.37Å; Q393-L397 WeakPolarHBondContact O-CG 3.46Å; Q393-L397 PolarHBondContact O-N 2.58Å | ||
| 394 | A | 81.5 | Confident | 86.8 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -51 | -42 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L365 H375 T391 R396 L397 L398 | L365-A394 HydrophobicContact CD2-CB 4.12Å; H375-A394 WeakPolarHBondContact CE1-CB 3.43Å; H375-A394 VanDerWaalsContact NE2-CB 3.27Å; H375-A394 WeakPolarHBondContact NE2-CB 3.47Å; T391-A394 HydrophobicContact CG2-CB 4.43Å; A394-R396 VanDerWaalsContact C-N 3.25Å; A394-R396 PolarHBondContact O-N 3.14Å; A394-L397 PolarHBondContact O-N 3.15Å; A394-L397 VanDerWaalsContact O-N 3.11Å; A394-L398 WeakPolarHBondContact O-CB 3.43Å; A394-L398 WeakPolarHBondContact O-CG 3.41Å; A394-L398 PolarHBondContact O-N 3.05Å |
| 395 | E | 81.9 | Confident | 86.9 | Confident | 183 Ų | 183 | 46.8 Ų | 46.8 | 86% | 0.855 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -58.2 | -34.8 | 176.5 | -66.5 | -177.5 | 178 | 0 | 0 | 113.6 | Q393 | Q393-E395 PolarHBondContact O-N 2.71Å; Q393-E395 VanDerWaalsContact O-N 3.13Å |
| 396 | R | 84.6 | Confident | 87 | Confident | 138 Ų | 138 | 46 Ų | 46 | 52% | 0.521 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -78.5 | -34.5 | 176 | 176.5 | -176.6 | 172.8 | -167.4 | 0.4 | 112.1 | Q393 A394 Q400 | Q393-R396 HydrophobicContact CB-CB 4.39Å; Q393-R396 WeakPolarHBondContact O-CA 3.45Å; Q393-R396 WeakPolarHBondContact O-CB 3.46Å; Q393-R396 PolarHBondContact O-N 3.46Å; A394-R396 VanDerWaalsContact C-N 3.25Å; A394-R396 PolarHBondContact O-N 3.14Å; R396-Q400 VanDerWaalsContact O-CG 3.26Å; R396-Q400 WeakPolarHBondContact O-CG 3.3Å |
| 397 | L | 86.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -86.9 | -15.5 | -175.4 | -59.8 | -177.9 | 0 | 0 | 0 | 113.2 | L365 T391 Q393 A394 Q400 I402 F420 L423 | L365-L397 HydrophobicContact CD1-CB 4Å; L365-L397 HydrophobicContact CD1-CD1 4.25Å; T391-L397 HydrophobicContact CG2-CD1 4.23Å; Q393-L397 HydrophobicContact CB-CG 4.37Å; Q393-L397 WeakPolarHBondContact O-CG 3.46Å; Q393-L397 PolarHBondContact O-N 2.58Å; A394-L397 PolarHBondContact O-N 3.15Å; A394-L397 VanDerWaalsContact O-N 3.11Å; L397-Q400 WeakPolarHBondContact O-CB 3.46Å; L397-Q400 PolarHBondContact O-N 3.18Å; L397-I402 HydrophobicContact CB-CG2 4.5Å; L397-I402 HydrophobicContact CD2-CG2 4.03Å; L397-F420 HydrophobicContact CD1-CD2 4.16Å; L397-F420 HydrophobicContact CD1-CE2 4.34Å; L397-F420 HydrophobicContact CD1-CG 4.44Å; L397-F420 HydrophobicContact CD2-CE2 3.87Å; L397-F420 HydrophobicContact CD2-CZ 4.06Å; L397-L423 HydrophobicContact CD2-CD1 4.26Å |
| 398 | L | 86.4 | Confident | 86.5 | Confident | 52 Ų | 52 | 47.8 Ų | 47.8 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 139 | 171.4 | -79.3 | 168.4 | 0 | 0 | 0 | 110.2 | L365 P367 A394 Q400 | L365-L398 HydrophobicContact CD2-CD2 4.03Å; L365-L398 HydrophobicContact CD2-CG 4.34Å; P367-L398 HydrophobicContact CB-CD2 4.4Å; P367-L398 HydrophobicContact CG-CD2 4.11Å; A394-L398 WeakPolarHBondContact O-CB 3.43Å; A394-L398 WeakPolarHBondContact O-CG 3.41Å; A394-L398 PolarHBondContact O-N 3.05Å; L398-Q400 PolarHBondContact O-N 3.34Å; L398-Q400 VanDerWaalsContact O-N 3.15Å |
| 399 | D | 85.7 | Confident | 86.4 | Confident | 90 Ų | 90 | 47 Ų | 47 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 23.6 | -176.7 | -52.3 | -32.4 | 0 | 0 | 0 | 114.4 | V427 Q925 | D399-V427 WeakPolarHBondContact O-CG2 3.39Å; D399-V427 PolarHBondContact O-N 2.96Å; D399-Q925 PolarHBondContact OD1-NE2 2.81Å |
| 400 | Q | 90.6 | Very high | 86.3 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149 | 171.9 | -54.9 | -65 | -53.3 | 0 | 0 | 111.8 | R396 L397 L398 I402 L423 G425 P426 | R396-Q400 VanDerWaalsContact O-CG 3.26Å; R396-Q400 WeakPolarHBondContact O-CG 3.3Å; L397-Q400 WeakPolarHBondContact O-CB 3.46Å; L397-Q400 PolarHBondContact O-N 3.18Å; L398-Q400 PolarHBondContact O-N 3.34Å; L398-Q400 VanDerWaalsContact O-N 3.15Å; Q400-I402 HydrophobicContact CB-CG2 4.38Å; Q400-L423 HydrophobicContact CB-CD1 3.4Å; Q400-L423 VanDerWaalsContact CB-CD1 3.4Å; Q400-L423 HydrophobicContact CG-CD1 3.69Å; Q400-G425 CarbonylContact C-O 3.48Å; Q400-G425 WeakPolarHBondContact CA-O 3.42Å; Q400-G425 PolarHBondContact OE1-O 2.92Å; Q400-P426 VanDerWaalsContact OE1-N 3.07Å |
| 401 | R | 93.1 | Very high | 86.2 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.8 | 161.5 | -66.9 | -63.6 | -166.8 | -172.1 | -2 | 109 | M364 L424 G425 V427 I432 E433 V436 | M364-R401 VanDerWaalsContact SD-CZ 3.55Å; M364-R401 PolarHBondContact SD-NH1 3.42Å; R401-L424 HydrophobicContact CB-CB 4.02Å; R401-L424 HydrophobicContact CB-CD1 4.23Å; R401-L424 WeakPolarHBondContact O-CB 3.24Å; R401-L424 PolarHBondContact O-N 3.23Å; R401-G425 PolarHBondContact N-O 3.16Å; R401-G425 PolarHBondContact O-N 3.19Å; R401-V427 HydrophobicContact CG-CG2 4.14Å; R401-I432 HydrophobicContact CB-CG2 3.69Å; R401-I432 HydrophobicContact CG-CG2 3.73Å; R401-E433 IonicContact CZ-OE1 3Å; R401-E433 IonicContact CZ-OE2 3.53Å; R401-E433 IonicContact NE-OE1 2.71Å; R401-E433 PolarHBondContact NE-OE1 3.37Å; R401-E433 IonicContact NE-OE2 2.83Å; R401-E433 PolarHBondContact NE-OE2 3Å; R401-E433 IonicContact NH2-OE1 2.7Å; R401-E433 PolarHBondContact NH2-OE1 2.93Å; R401-E433 VanDerWaalsContact NH2-OE1 3.09Å; R401-E433 IonicContact NH2-OE2 3.9Å; R401-E433 PolarHBondContact NH2-OE2 3.1Å; R401-V436 HydrophobicContact CB-CG2 3.88Å; R401-V436 HydrophobicContact CG-CG2 3.78Å |
| 402 | I | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.1 | 180 | 61 | 170.9 | 0 | 0 | 0 | 110.4 | C362 A363 L365 I389 L397 Q400 V404 F420 R422 L423 | C362-I402 CarbonylContact C-O 3.54Å; C362-I402 WeakPolarHBondContact CA-O 3.35Å; A363-I402 HydrophobicContact CB-CG1 4.38Å; A363-I402 PolarHBondContact N-O 2.77Å; A363-I402 WeakPolarHBondContact O-CG1 3.21Å; A363-I402 PolarHBondContact O-N 2.83Å; L365-I402 HydrophobicContact CD1-CD1 4.48Å; I389-I402 HydrophobicContact CD1-CD1 4.22Å; L397-I402 HydrophobicContact CB-CG2 4.5Å; L397-I402 HydrophobicContact CD2-CG2 4.03Å; Q400-I402 HydrophobicContact CB-CG2 4.38Å; I402-V404 HydrophobicContact CD1-CG1 3.77Å; I402-V404 HydrophobicContact CG1-CG1 4.18Å; I402-F420 HydrophobicContact CB-CD2 3.99Å; I402-F420 HydrophobicContact CB-CE2 3.88Å; I402-F420 HydrophobicContact CD1-CD2 4.29Å; I402-F420 HydrophobicContact CG2-CD2 4.19Å; I402-F420 HydrophobicContact CG2-CE2 3.76Å; I402-R422 WeakPolarHBondContact CA-O 3.35Å; I402-L423 HydrophobicContact CG2-CD1 4Å |
| 403 | V | 92.6 | Very high | 86.1 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.2 | 168.7 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | P360 V361 V421 R422 L424 L439 | P360-V403 HydrophobicContact CB-CG1 3.54Å; V361-V403 WeakPolarHBondContact O-CA 3.39Å; V403-V421 HydrophobicContact CB-CB 4.34Å; V403-V421 HydrophobicContact CG1-CB 4.2Å; V403-V421 PolarHBondContact O-N 3.21Å; V403-R422 HydrophobicContact CB-CG 3.97Å; V403-R422 HydrophobicContact CG2-CG 3.85Å; V403-R422 PolarHBondContact N-O 2.96Å; V403-L424 HydrophobicContact CG2-CD1 3.93Å; V403-L424 HydrophobicContact CG2-CD2 3.76Å; V403-L424 HydrophobicContact CG2-CG 3.89Å; V403-L439 HydrophobicContact CG2-CD1 4.37Å |
| 404 | V | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.1 | 176.9 | -63 | 0 | 0 | 0 | 0 | 110.4 | V361 A363 A377 I387 I389 I402 H419 | V361-V404 HydrophobicContact CB-CG2 4.33Å; V361-V404 PolarHBondContact N-O 3.32Å; V361-V404 PolarHBondContact O-N 3.27Å; A363-V404 HydrophobicContact CB-CG2 3.8Å; A377-V404 HydrophobicContact CB-CG1 4.02Å; A377-V404 HydrophobicContact CB-CG2 4.22Å; I387-V404 HydrophobicContact CD1-CG2 3.66Å; I389-V404 HydrophobicContact CG2-CG1 4.16Å; I402-V404 HydrophobicContact CD1-CG1 3.77Å; I402-V404 HydrophobicContact CG1-CG1 4.18Å; V404-H419 VanDerWaalsContact CA-O 3.28Å; V404-H419 WeakPolarHBondContact CA-O 3.34Å; V404-H419 WeakPolarHBondContact CB-O 3.46Å |
| 405 | V | 90.1 | Very high | 86.3 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.9 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 109.1 | P360 G418 H419 V421 | P360-V405 HydrophobicContact CB-CG2 4.03Å; P360-V405 HydrophobicContact CG-CG2 4.01Å; V405-G418 CarbonylContact O-C 3.57Å; V405-G418 WeakPolarHBondContact O-CA 3.1Å; V405-H419 PolarHBondContact N-O 3.08Å; V405-H419 VanDerWaalsContact N-O 3.1Å; V405-H419 PolarHBondContact O-N 3.2Å; V405-H419 VanDerWaalsContact O-N 3.1Å; V405-V421 HydrophobicContact CB-CG2 4.09Å; V405-V421 HydrophobicContact CG2-CG2 3.54Å |
| 406 | I | 90.2 | Very high | 86.7 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.036 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.9 | 174.8 | -62.8 | 174.5 | 0 | 0 | 0 | 109.1 | I290 W358 I384 I387 P416 | I290-I406 HydrophobicContact CD1-CD1 3.27Å; W358-I406 HydrophobicContact CB-CB 4.45Å; W358-I406 HydrophobicContact CD2-CB 4.11Å; W358-I406 HydrophobicContact CD2-CG2 3.72Å; W358-I406 HydrophobicContact CE3-CB 4.49Å; W358-I406 HydrophobicContact CE3-CG2 4.02Å; W358-I406 HydrophobicContact CG-CB 4.1Å; W358-I406 HydrophobicContact CG-CG2 4.19Å; W358-I406 HydrophobicContact CH2-CG2 4.21Å; W358-I406 HydrophobicContact CZ2-CG2 3.88Å; W358-I406 HydrophobicContact CZ3-CG2 4.27Å; I384-I406 HydrophobicContact CG2-CD1 4.5Å; I387-I406 HydrophobicContact CD1-CD1 3.98Å; I387-I406 HydrophobicContact CD1-CG1 3.65Å; I387-I406 HydrophobicContact CG1-CD1 4.14Å; I387-I406 HydrophobicContact CG1-CG1 3.95Å; I387-I406 HydrophobicContact CG2-CG1 4.29Å; I406-P416 HydrophobicContact CD1-CB 4.18Å; I406-P416 HydrophobicContact CD1-CG 4.09Å; I406-P416 HydrophobicContact CG1-CB 4.26Å; I406-P416 HydrophobicContact CG1-CG 4.45Å; I406-P416 HydrophobicContact CG2-CB 3.73Å |
| 407 | D | 85 | Confident | 87 | Confident | 40 Ų | 40 | 23.4 Ų | 23.4 | 21% | 0.214 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -43.1 | 179.6 | -61.2 | -32.7 | 0 | 0 | 0 | 111.4 | V210 W358 L417 H419 | V210-D407 PolarHBondContact N-OD2 2.83Å; V210-D407 VanDerWaalsContact N-OD2 3.14Å; W358-D407 WeakPolarHBondContact CZ3-O 3.3Å; D407-L417 PolarHBondContact N-O 2.83Å; D407-H419 VanDerWaalsContact CG-ND1 3.25Å; D407-H419 IonicContact OD1-CE1 2.93Å; D407-H419 PolarHBondContact OD1-CE1 2.83Å; D407-H419 IonicContact OD1-ND1 3.62Å; D407-H419 PolarHBondContact OD1-ND1 3.37Å; D407-H419 IonicContact OD2-CG 3.05Å; D407-H419 PolarHBondContact OD2-N 3.28Å; D407-H419 IonicContact OD2-ND1 3.38Å; D407-H419 PolarHBondContact OD2-ND1 2.78Å |
| 408 | S | 85.5 | Confident | 87.2 | Confident | 14 Ų | 14 | 23.4 Ų | 23.4 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 160.1 | -178 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | L417 | S408-L417 PolarHBondContact N-O 3.44Å; S408-L417 PolarHBondContact O-N 2.81Å |
| 409 | W | 88.4 | Confident | 87.2 | Confident | 25 Ų | 25 | 21.1 Ų | 21.1 | 10% | 0.095 | 11% | 0.107 | C | C | . | . | trans | -133.7 | 96.4 | 168.6 | -160.9 | -14 | 0 | 0 | 0 | 109.3 | F224 R288 I290 W358 P385 S413 R414 P416 | F224-W409 HydrophobicContact CE2-CZ2 4.29Å; F224-W409 AromaticContact CE2-NE1 3.72Å; F224-W409 HydrophobicContact CZ-CZ2 4.02Å; R288-W409 HydrophobicContact CB-CB 4.26Å; R288-W409 HydrophobicContact CB-CD2 3.74Å; R288-W409 HydrophobicContact CB-CE3 3.81Å; R288-W409 HydrophobicContact CB-CG 3.94Å; R288-W409 HydrophobicContact CB-CZ3 4.37Å; R288-W409 WeakPolarHBondContact CD-O 3.49Å; R288-W409 HydrophobicContact CG-CD2 4.03Å; R288-W409 HydrophobicContact CG-CG 4Å; R288-W409 PolarHBondContact NE-O 3.12Å; I290-W409 HydrophobicContact CD1-CE3 4.18Å; I290-W409 HydrophobicContact CD1-CZ3 4.05Å; I290-W409 HydrophobicContact CG1-CE3 4.17Å; I290-W409 HydrophobicContact CG1-CZ3 3.7Å; W358-W409 HydrophobicContact CZ2-CB 4.45Å; P385-W409 HydrophobicContact CB-CH2 4.02Å; P385-W409 HydrophobicContact CG-CH2 3.58Å; P385-W409 HydrophobicContact CG-CZ2 4.41Å; P385-W409 HydrophobicContact CG-CZ3 3.73Å; W409-S413 PolarHBondContact NE1-O 2.9Å; W409-R414 WeakPolarHBondContact CZ2-O 3.45Å; W409-P416 HydrophobicContact CB-CB 4.19Å; W409-P416 HydrophobicContact CD2-CB 3.95Å; W409-P416 HydrophobicContact CD2-CG 4.34Å; W409-P416 HydrophobicContact CE3-CB 4.15Å; W409-P416 HydrophobicContact CE3-CG 4.36Å; W409-P416 HydrophobicContact CG-CB 3.99Å | ||
| 410 | P | 84.1 | Confident | 87.4 | Confident | 29 Ų | 29 | 17.1 Ų | 17.1 | 19% | 0.188 | 9% | 0.086 | C | C | . | . | trans | -64.5 | 152.7 | 175.9 | -25.9 | 38.8 | 0 | 0 | 0 | 112.5 | I215 R288 D412 S413 L417 | I215-P410 HydrophobicContact CD1-CB 4.18Å; I215-P410 HydrophobicContact CD1-CG 3.61Å; R288-P410 WeakPolarHBondContact CD-O 3.28Å; P410-D412 VanDerWaalsContact C-N 3.3Å; P410-D412 WeakPolarHBondContact CB-OD1 3.49Å; P410-D412 PolarHBondContact O-N 3.38Å; P410-S413 PolarHBondContact O-N 3.48Å; P410-L417 HydrophobicContact CG-CD1 4.33Å | ||
| 411 | S | 81.4 | Confident | 87.1 | Confident | 16 Ų | 16 | 16 Ų | 16 | 11% | 0.112 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -75.5 | -16.1 | -176.3 | 52.9 | 0 | 0 | 0 | 0 | 114.5 | K223 F224 E226 | K223-S411 PolarHBondContact N-O 3.49Å; F224-S411 PolarHBondContact N-O 3.44Å; E226-S411 WeakPolarHBondContact OE1-CB 3.44Å; E226-S411 PolarHBondContact OE1-OG 2.92Å |
| 412 | D | 77.1 | Confident | 86.9 | Confident | 40 Ų | 40 | 20.1 Ų | 20.1 | 21% | 0.214 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -96.9 | -14.5 | 175.8 | 62.2 | -23.8 | 0 | 0 | 0 | 113.4 | G217 P410 | G217-D412 WeakPolarHBondContact CA-OD2 3.24Å; P410-D412 VanDerWaalsContact C-N 3.3Å; P410-D412 WeakPolarHBondContact CB-OD1 3.49Å; P410-D412 PolarHBondContact O-N 3.38Å |
| 413 | S | 80.1 | Confident | 86.7 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | trans | -88.2 | 135 | 178.6 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | F224 W409 P410 Y415 | F224-S413 VanDerWaalsContact CE2-O 3.23Å; F224-S413 WeakPolarHBondContact CE2-O 3.38Å; W409-S413 PolarHBondContact NE1-O 2.9Å; P410-S413 PolarHBondContact O-N 3.48Å; S413-Y415 VanDerWaalsContact C-N 3.29Å; S413-Y415 WeakPolarHBondContact CB-O 3.37Å; S413-Y415 PolarHBondContact O-N 3.28Å; S413-Y415 PolarHBondContact OG-N 3.47Å; S413-Y415 PolarHBondContact OG-O 2.87Å | ||
| 414 | R | 78.8 | Confident | 86.7 | Confident | 59 Ų | 59 | 23.4 Ų | 23.4 | 22% | 0.223 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -65.8 | -37.5 | 173.3 | -165.1 | 172.1 | 176.6 | -177.9 | -5.8 | 111.9 | K223 G322 D323 W409 | K223-R414 HydrophobicContact CD-CB 4.36Å; G322-R414 WeakPolarHBondContact O-CD 3.18Å; G322-R414 PolarHBondContact O-NH1 2.89Å; D323-R414 WeakPolarHBondContact OD1-CB 3.47Å; D323-R414 PolarHBondContact OD1-N 2.83Å; W409-R414 WeakPolarHBondContact CZ2-O 3.45Å |
| 415 | Y | 85.6 | Confident | 86.7 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 4% | 0.043 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -114.4 | 143.8 | -170.2 | -55.8 | -66 | 0 | 0 | 0 | 109.7 | D320 L376 W386 S413 | D320-Y415 PolarHBondContact OD1-OH 2.84Å; L376-Y415 HydrophobicContact CD1-CE2 4.05Å; L376-Y415 HydrophobicContact CD2-CD2 3.67Å; L376-Y415 HydrophobicContact CD2-CE2 3.98Å; L376-Y415 HydrophobicContact CD2-CG 3.95Å; W386-Y415 HydrophobicContact CB-CD1 3.98Å; W386-Y415 HydrophobicContact CB-CE1 4.12Å; W386-Y415 AromaticContact CE3-CE1 3.96Å; W386-Y415 HydrophobicContact CE3-CE1 3.96Å; W386-Y415 WeakPolarHBondContact O-CB 3.3Å; S413-Y415 VanDerWaalsContact C-N 3.29Å; S413-Y415 WeakPolarHBondContact CB-O 3.37Å; S413-Y415 PolarHBondContact O-N 3.28Å; S413-Y415 PolarHBondContact OG-N 3.47Å; S413-Y415 PolarHBondContact OG-O 2.87Å |
| 416 | P | 90.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -56.5 | 147.9 | 166.7 | 24.1 | -34.5 | 0 | 0 | 0 | 111.1 | P385 W386 I387 R388 I406 W409 | P385-P416 HydrophobicContact CG-CG 3.99Å; W386-P416 VanDerWaalsContact O-CD 3.25Å; W386-P416 WeakPolarHBondContact O-CD 3.41Å; I387-P416 HydrophobicContact CB-CG 4.45Å; I387-P416 HydrophobicContact CG1-CG 3.99Å; R388-P416 PolarHBondContact N-O 2.93Å; I406-P416 HydrophobicContact CD1-CB 4.18Å; I406-P416 HydrophobicContact CD1-CG 4.09Å; I406-P416 HydrophobicContact CG1-CB 4.26Å; I406-P416 HydrophobicContact CG1-CG 4.45Å; I406-P416 HydrophobicContact CG2-CB 3.73Å; W409-P416 HydrophobicContact CB-CB 4.19Å; W409-P416 HydrophobicContact CD2-CB 3.95Å; W409-P416 HydrophobicContact CD2-CG 4.34Å; W409-P416 HydrophobicContact CE3-CB 4.15Å; W409-P416 HydrophobicContact CE3-CG 4.36Å; W409-P416 HydrophobicContact CG-CB 3.99Å | ||
| 417 | L | 89.6 | Confident | 86.5 | Confident | 11 Ų | 11 | 27.4 Ų | 27.4 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 141.4 | 166 | -62.4 | -173.5 | 0 | 0 | 0 | 109.5 | V210 I215 R388 D407 S408 P410 | V210-L417 HydrophobicContact CG1-CD1 4.26Å; I215-L417 HydrophobicContact CD1-CD1 3.54Å; I215-L417 HydrophobicContact CD1-CD2 4.09Å; I215-L417 HydrophobicContact CD1-CG 4.01Å; I215-L417 HydrophobicContact CG1-CD1 4.33Å; R388-L417 HydrophobicContact CB-CD2 4.01Å; R388-L417 HydrophobicContact CG-CD2 4.14Å; R388-L417 WeakPolarHBondContact O-CA 3.42Å; D407-L417 PolarHBondContact N-O 2.83Å; S408-L417 PolarHBondContact N-O 3.44Å; S408-L417 PolarHBondContact O-N 2.81Å; P410-L417 HydrophobicContact CG-CD1 4.33Å |
| 418 | G | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | -178.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R388 I389 V405 | R388-G418 PolarHBondContact O-N 3.14Å; I389-G418 WeakPolarHBondContact CG2-O 3.23Å; V405-G418 CarbonylContact O-C 3.57Å; V405-G418 WeakPolarHBondContact O-CA 3.1Å |
| 419 | H | 87.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 162.9 | 175 | 68.5 | -85.2 | 0 | 0 | 0 | 111.1 | D77 R207 M208 V404 V405 D407 | D77-H419 IonicContact OD2-CE1 3.36Å; D77-H419 IonicContact OD2-NE2 2.65Å; R207-H419 PolarHBondContact O-CD2 3.35Å; R207-H419 VanDerWaalsContact O-CD2 3.28Å; M208-H419 WeakPolarHBondContact O-CB 3.47Å; V404-H419 VanDerWaalsContact CA-O 3.28Å; V404-H419 WeakPolarHBondContact CA-O 3.34Å; V404-H419 WeakPolarHBondContact CB-O 3.46Å; V405-H419 PolarHBondContact N-O 3.08Å; V405-H419 VanDerWaalsContact N-O 3.1Å; V405-H419 PolarHBondContact O-N 3.2Å; V405-H419 VanDerWaalsContact O-N 3.1Å; D407-H419 VanDerWaalsContact CG-ND1 3.25Å; D407-H419 IonicContact OD1-CE1 2.93Å; D407-H419 PolarHBondContact OD1-CE1 2.83Å; D407-H419 IonicContact OD1-ND1 3.62Å; D407-H419 PolarHBondContact OD1-ND1 3.37Å; D407-H419 IonicContact OD2-CG 3.05Å; D407-H419 PolarHBondContact OD2-N 3.28Å; D407-H419 IonicContact OD2-ND1 3.38Å; D407-H419 PolarHBondContact OD2-ND1 2.78Å |
| 420 | F | 88.4 | Confident | 86 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 131.6 | 175.5 | 163.7 | -98.3 | 0 | 0 | 0 | 109.7 | E206 R207 L397 I402 R422 L423 | E206-F420 HydrophobicContact CB-CD1 4.46Å; R207-F420 WeakPolarHBondContact CA-O 3.44Å; L397-F420 HydrophobicContact CD1-CD2 4.16Å; L397-F420 HydrophobicContact CD1-CE2 4.34Å; L397-F420 HydrophobicContact CD1-CG 4.44Å; L397-F420 HydrophobicContact CD2-CE2 3.87Å; L397-F420 HydrophobicContact CD2-CZ 4.06Å; I402-F420 HydrophobicContact CB-CD2 3.99Å; I402-F420 HydrophobicContact CB-CE2 3.88Å; I402-F420 HydrophobicContact CD1-CD2 4.29Å; I402-F420 HydrophobicContact CG2-CD2 4.19Å; I402-F420 HydrophobicContact CG2-CE2 3.76Å; F420-R422 VanDerWaalsContact CE2-O 3.27Å; F420-R422 WeakPolarHBondContact CE2-O 3.01Å; F420-L423 HydrophobicContact CE2-CB 4.42Å; F420-L423 HydrophobicContact CZ-CB 4.1Å; F420-L423 VanDerWaalsContact CZ-N 3.26Å |
| 421 | V | 85.9 | Confident | 86.2 | Confident | 20 Ų | 20 | 34 Ų | 34 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -54.9 | 178.9 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | D77 R207 V403 V405 | D77-V421 HydrophobicContact CB-CG1 4.48Å; R207-V421 WeakPolarHBondContact CD-O 3.41Å; R207-V421 PolarHBondContact NE-O 3.01Å; V403-V421 HydrophobicContact CB-CB 4.34Å; V403-V421 HydrophobicContact CG1-CB 4.2Å; V403-V421 PolarHBondContact O-N 3.21Å; V405-V421 HydrophobicContact CB-CG2 4.09Å; V405-V421 HydrophobicContact CG2-CG2 3.54Å |
| 422 | R | 87.5 | Confident | 86.6 | Confident | 111 Ų | 111 | 34.2 Ų | 34.2 | 42% | 0.419 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 155 | -178.7 | 72.1 | 179.7 | -164.6 | -171.5 | 9.8 | 113.1 | I402 V403 F420 L424 E435 | I402-R422 WeakPolarHBondContact CA-O 3.35Å; V403-R422 HydrophobicContact CB-CG 3.97Å; V403-R422 HydrophobicContact CG2-CG 3.85Å; V403-R422 PolarHBondContact N-O 2.96Å; F420-R422 VanDerWaalsContact CE2-O 3.27Å; F420-R422 WeakPolarHBondContact CE2-O 3.01Å; R422-L424 HydrophobicContact CG-CD2 4.39Å; R422-E435 IonicContact CZ-OE1 2.7Å; R422-E435 IonicContact NH2-OE1 2.69Å; R422-E435 PolarHBondContact NH2-OE1 3.01Å |
| 423 | L | 90.5 | Very high | 87.2 | Confident | 57 Ų | 57 | 33.5 Ų | 33.5 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 132.3 | 171.2 | 178.6 | 64.7 | 0 | 0 | 0 | 109.1 | L397 Q400 I402 F420 | L397-L423 HydrophobicContact CD2-CD1 4.26Å; Q400-L423 HydrophobicContact CB-CD1 3.4Å; Q400-L423 VanDerWaalsContact CB-CD1 3.4Å; Q400-L423 HydrophobicContact CG-CD1 3.69Å; I402-L423 HydrophobicContact CG2-CD1 4Å; F420-L423 HydrophobicContact CE2-CB 4.42Å; F420-L423 HydrophobicContact CZ-CB 4.1Å; F420-L423 VanDerWaalsContact CZ-N 3.26Å |
| 424 | L | 91.6 | Very high | 87.7 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -53.9 | 172.5 | -58.8 | 177.8 | 0 | 0 | 0 | 110 | R401 V403 R422 I432 E435 V436 L439 | R401-L424 HydrophobicContact CB-CB 4.02Å; R401-L424 HydrophobicContact CB-CD1 4.23Å; R401-L424 WeakPolarHBondContact O-CB 3.24Å; R401-L424 PolarHBondContact O-N 3.23Å; V403-L424 HydrophobicContact CG2-CD1 3.93Å; V403-L424 HydrophobicContact CG2-CD2 3.76Å; V403-L424 HydrophobicContact CG2-CG 3.89Å; R422-L424 HydrophobicContact CG-CD2 4.39Å; L424-I432 HydrophobicContact CB-CG2 4.08Å; L424-I432 WeakPolarHBondContact O-CD1 2.98Å; L424-E435 WeakPolarHBondContact CD2-OE1 3.19Å; L424-V436 HydrophobicContact CD1-CG2 3.62Å; L424-L439 HydrophobicContact CD1-CD1 4.07Å; L424-L439 HydrophobicContact CD2-CD1 4.07Å |
| 425 | G | 92.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | -169.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q400 R401 | Q400-G425 CarbonylContact C-O 3.48Å; Q400-G425 WeakPolarHBondContact CA-O 3.42Å; Q400-G425 PolarHBondContact OE1-O 2.92Å; R401-G425 PolarHBondContact N-O 3.16Å; R401-G425 PolarHBondContact O-N 3.19Å |
| 426 | P | 90.6 | Very high | 88.5 | Confident | 64 Ų | 64 | 32.5 Ų | 32.5 | 42% | 0.416 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 143.7 | -171.9 | 23.9 | -31.8 | 0 | 0 | 0 | 112.8 | Q400 D429 | Q400-P426 VanDerWaalsContact OE1-N 3.07Å; P426-D429 HydrophobicContact CG-CB 3.95Å; P426-D429 WeakPolarHBondContact O-CB 3.44Å; P426-D429 PolarHBondContact O-N 3.05Å |
| 427 | V | 85 | Confident | 88.5 | Confident | 37 Ų | 37 | 33.1 Ų | 33.1 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 138.2 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | M364 D399 R401 D429 | M364-V427 HydrophobicContact CG-CG2 3.9Å; M364-V427 HydrophobicContact SD-CB 4.45Å; M364-V427 HydrophobicContact SD-CG1 3.98Å; M364-V427 HydrophobicContact SD-CG2 3.52Å; M364-V427 VanDerWaalsContact SD-CG2 3.52Å; D399-V427 WeakPolarHBondContact O-CG2 3.39Å; D399-V427 PolarHBondContact O-N 2.96Å; R401-V427 HydrophobicContact CG-CG2 4.14Å; V427-D429 PolarHBondContact O-N 3.14Å |
| 428 | G | 80.2 | Confident | 88.6 | Confident | 42 Ų | 42 | 32.6 Ų | 32.6 | 43% | 0.433 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -4.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R430 E433 | G428-R430 PolarHBondContact O-N 2.97Å; G428-E433 PolarHBondContact N-OE1 3.44Å; G428-E433 VanDerWaalsContact N-OE1 3.09Å |
| 429 | D | 85.8 | Confident | 88.6 | Confident | 68 Ų | 68 | 35.2 Ų | 35.2 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | trans | -67.4 | 129.2 | 163.4 | 180 | -83.5 | 0 | 0 | 0 | 109.8 | P426 V427 D431 I432 E433 | P426-D429 HydrophobicContact CG-CB 3.95Å; P426-D429 WeakPolarHBondContact O-CB 3.44Å; P426-D429 PolarHBondContact O-N 3.05Å; V427-D429 PolarHBondContact O-N 3.14Å; D429-D431 PolarHBondContact O-N 2.94Å; D429-D431 PolarHBondContact OD1-N 3.1Å; D429-I432 HydrophobicContact CB-CB 4.1Å; D429-I432 HydrophobicContact CB-CG1 3.94Å; D429-I432 PolarHBondContact O-N 3.38Å; D429-I432 WeakPolarHBondContact OD1-CG1 3.5Å; D429-I432 PolarHBondContact OD1-N 2.86Å; D429-I432 VanDerWaalsContact OD1-N 3.1Å; D429-E433 WeakPolarHBondContact O-CB 3.47Å; D429-E433 VanDerWaalsContact O-CG 3.26Å; D429-E433 WeakPolarHBondContact O-CG 3.36Å; D429-E433 PolarHBondContact O-N 3.37Å | ||
| 430 | R | 82.6 | Confident | 88.6 | Confident | 50 Ų | 50 | 35.9 Ų | 35.9 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | -170.4 | -176.5 | -171.6 | 68.1 | 129.4 | 10.8 | 112.7 | G428 I432 E433 N434 D538 L846 | G428-R430 PolarHBondContact O-N 2.97Å; R430-I432 VanDerWaalsContact C-N 3.33Å; R430-E433 PolarHBondContact O-N 3.44Å; R430-N434 VanDerWaalsContact O-CB 3.32Å; R430-N434 WeakPolarHBondContact O-CB 3.18Å; R430-N434 PolarHBondContact O-N 2.76Å; R430-N434 PolarHBondContact O-ND2 2.82Å; R430-D538 IonicContact NH1-OD2 2.63Å; R430-L846 HydrophobicContact CB-CD1 4.49Å; R430-L846 HydrophobicContact CG-CD1 3.93Å |
| 431 | D | 87.3 | Confident | 88.7 | Confident | 86 Ų | 86 | 37.3 Ų | 37.3 | 46% | 0.46 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.1 | -36.8 | -177.1 | -67.3 | -16.8 | 0 | 0 | 0 | 110 | D429 N434 E435 | D429-D431 PolarHBondContact O-N 2.94Å; D429-D431 PolarHBondContact OD1-N 3.1Å; D431-N434 PolarHBondContact O-N 3.12Å; D431-E435 PolarHBondContact O-N 2.84Å |
| 432 | I | 90.2 | Very high | 88.8 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -46.3 | 173.4 | -59.1 | -51.3 | 0 | 0 | 0 | 112 | R401 L424 D429 R430 N434 E435 V436 | R401-I432 HydrophobicContact CB-CG2 3.69Å; R401-I432 HydrophobicContact CG-CG2 3.73Å; L424-I432 HydrophobicContact CB-CG2 4.08Å; L424-I432 WeakPolarHBondContact O-CD1 2.98Å; D429-I432 HydrophobicContact CB-CB 4.1Å; D429-I432 HydrophobicContact CB-CG1 3.94Å; D429-I432 PolarHBondContact O-N 3.38Å; D429-I432 WeakPolarHBondContact OD1-CG1 3.5Å; D429-I432 PolarHBondContact OD1-N 2.86Å; D429-I432 VanDerWaalsContact OD1-N 3.1Å; R430-I432 VanDerWaalsContact C-N 3.33Å; I432-N434 VanDerWaalsContact C-N 3.26Å; I432-N434 PolarHBondContact O-N 2.8Å; I432-E435 PolarHBondContact O-N 3.27Å; I432-E435 VanDerWaalsContact O-N 3.1Å; I432-V436 WeakPolarHBondContact O-CG2 3.26Å; I432-V436 PolarHBondContact O-N 3.35Å |
| 433 | E | 90 | Very high | 89 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -35.2 | 177.4 | -68.4 | -60.9 | 149.2 | 0 | 0 | 111.5 | R401 G428 D429 R430 L437 L842 | R401-E433 IonicContact CZ-OE1 3Å; R401-E433 IonicContact CZ-OE2 3.53Å; R401-E433 IonicContact NE-OE1 2.71Å; R401-E433 PolarHBondContact NE-OE1 3.37Å; R401-E433 IonicContact NE-OE2 2.83Å; R401-E433 PolarHBondContact NE-OE2 3Å; R401-E433 IonicContact NH2-OE1 2.7Å; R401-E433 PolarHBondContact NH2-OE1 2.93Å; R401-E433 VanDerWaalsContact NH2-OE1 3.09Å; R401-E433 IonicContact NH2-OE2 3.9Å; R401-E433 PolarHBondContact NH2-OE2 3.1Å; G428-E433 PolarHBondContact N-OE1 3.44Å; G428-E433 VanDerWaalsContact N-OE1 3.09Å; D429-E433 WeakPolarHBondContact O-CB 3.47Å; D429-E433 VanDerWaalsContact O-CG 3.26Å; D429-E433 WeakPolarHBondContact O-CG 3.36Å; D429-E433 PolarHBondContact O-N 3.37Å; R430-E433 PolarHBondContact O-N 3.44Å; E433-L437 VanDerWaalsContact O-CB 3.31Å; E433-L437 WeakPolarHBondContact O-CB 3.17Å; E433-L437 PolarHBondContact O-N 2.87Å; E433-L842 HydrophobicContact CB-CD1 3.74Å; E433-L842 HydrophobicContact CB-CD2 3.72Å; E433-L842 HydrophobicContact CB-CG 4.39Å; E433-L842 HydrophobicContact CG-CD1 4.15Å |
| 434 | N | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 171.3 | -89 | -38.3 | 0 | 0 | 0 | 112.4 | R430 D431 I432 L438 D538 | R430-N434 VanDerWaalsContact O-CB 3.32Å; R430-N434 WeakPolarHBondContact O-CB 3.18Å; R430-N434 PolarHBondContact O-N 2.76Å; R430-N434 PolarHBondContact O-ND2 2.82Å; D431-N434 PolarHBondContact O-N 3.12Å; I432-N434 VanDerWaalsContact C-N 3.26Å; I432-N434 PolarHBondContact O-N 2.8Å; N434-L438 VanDerWaalsContact O-CG 3.31Å; N434-L438 WeakPolarHBondContact O-CG 3.49Å; N434-L438 PolarHBondContact O-N 3.23Å; N434-L438 VanDerWaalsContact O-N 3.14Å; N434-D538 PolarHBondContact ND2-OD2 3.46Å |
| 435 | E | 90.9 | Very high | 88.8 | Confident | 47 Ų | 47 | 35.7 Ų | 35.7 | 22% | 0.22 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 174.3 | -173.3 | 179.2 | 167.8 | 0 | 0 | 111.4 | R422 L424 D431 I432 L437 L438 L439 | R422-E435 IonicContact CZ-OE1 2.7Å; R422-E435 IonicContact NH2-OE1 2.69Å; R422-E435 PolarHBondContact NH2-OE1 3.01Å; L424-E435 WeakPolarHBondContact CD2-OE1 3.19Å; D431-E435 PolarHBondContact O-N 2.84Å; I432-E435 PolarHBondContact O-N 3.27Å; I432-E435 VanDerWaalsContact O-N 3.1Å; E435-L437 VanDerWaalsContact C-N 3.26Å; E435-L437 PolarHBondContact O-N 3.42Å; E435-L438 PolarHBondContact O-N 2.98Å; E435-L439 HydrophobicContact CG-CD1 4Å; E435-L439 HydrophobicContact CG-CG 4.37Å; E435-L439 WeakPolarHBondContact O-CG 3.29Å; E435-L439 PolarHBondContact O-N 3.35Å |
| 436 | V | 91 | Very high | 88.5 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.3 | -48.6 | 175.2 | 166.1 | 0 | 0 | 0 | 0 | 110.4 | C362 A380 R401 L424 I432 L438 L439 E440 | C362-V436 HydrophobicContact CB-CB 4.33Å; C362-V436 HydrophobicContact CB-CG1 3.68Å; C362-V436 HydrophobicContact CB-CG2 4.18Å; A380-V436 HydrophobicContact CB-CG1 4.02Å; R401-V436 HydrophobicContact CB-CG2 3.88Å; R401-V436 HydrophobicContact CG-CG2 3.78Å; L424-V436 HydrophobicContact CD1-CG2 3.62Å; I432-V436 WeakPolarHBondContact O-CG2 3.26Å; I432-V436 PolarHBondContact O-N 3.35Å; V436-L438 VanDerWaalsContact C-N 3.32Å; V436-L438 PolarHBondContact O-N 3.06Å; V436-L439 PolarHBondContact O-N 3.21Å; V436-E440 HydrophobicContact CG1-CG 4.29Å; V436-E440 WeakPolarHBondContact O-CB 3.09Å; V436-E440 WeakPolarHBondContact O-CG 3.31Å; V436-E440 PolarHBondContact O-N 3.34Å |
| 437 | L | 90.3 | Very high | 88.3 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 179.7 | 178.5 | 155.2 | 0 | 0 | 0 | 112.7 | E433 E435 H441 L536 A835 A838 S839 | E433-L437 VanDerWaalsContact O-CB 3.31Å; E433-L437 WeakPolarHBondContact O-CB 3.17Å; E433-L437 PolarHBondContact O-N 2.87Å; E435-L437 VanDerWaalsContact C-N 3.26Å; E435-L437 PolarHBondContact O-N 3.42Å; L437-H441 PolarHBondContact O-N 3.22Å; L437-H441 PolarHBondContact O-ND1 3.42Å; L437-L536 HydrophobicContact CD2-CD2 4.04Å; L437-A835 HydrophobicContact CD2-CB 3.77Å; L437-A838 HydrophobicContact CD1-CB 3.29Å; L437-A838 HydrophobicContact CD2-CB 4.49Å; L437-A838 HydrophobicContact CG-CB 3.74Å; L437-S839 VanDerWaalsContact CD1-N 3.3Å |
| 438 | L | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.7 | -40.4 | 178.2 | -68.9 | 176.3 | 0 | 0 | 0 | 112.7 | N434 E435 V436 H441 E442 V443 H445 L536 I541 | N434-L438 VanDerWaalsContact O-CG 3.31Å; N434-L438 WeakPolarHBondContact O-CG 3.49Å; N434-L438 PolarHBondContact O-N 3.23Å; N434-L438 VanDerWaalsContact O-N 3.14Å; E435-L438 PolarHBondContact O-N 2.98Å; V436-L438 VanDerWaalsContact C-N 3.32Å; V436-L438 PolarHBondContact O-N 3.06Å; L438-H441 CarbonylContact O-C 3.53Å; L438-H441 PolarHBondContact O-N 2.85Å; L438-E442 PolarHBondContact O-N 2.88Å; L438-V443 HydrophobicContact CB-CB 4.32Å; L438-V443 HydrophobicContact CD2-CB 3.72Å; L438-V443 HydrophobicContact CD2-CG1 3.78Å; L438-V443 HydrophobicContact CD2-CG2 4.07Å; L438-V443 PolarHBondContact O-N 3.01Å; L438-H445 HydrophobicContact CD1-CB 3.77Å; L438-L536 HydrophobicContact CD2-CD1 4.09Å; L438-L536 HydrophobicContact CD2-CD2 4.28Å; L438-L536 HydrophobicContact CG-CD1 4.38Å; L438-I541 HydrophobicContact CD1-CD1 3.38Å; L438-I541 HydrophobicContact CD2-CD1 3.23Å; L438-I541 HydrophobicContact CG-CD1 3.94Å |
| 439 | L | 89.8 | Confident | 88.7 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -44.5 | 175.4 | -68.9 | 172.5 | 0 | 0 | 0 | 111 | R359 V403 L424 E435 V436 H441 E442 | R359-L439 PolarHBondContact NH1-O 3.25Å; V403-L439 HydrophobicContact CG2-CD1 4.37Å; L424-L439 HydrophobicContact CD1-CD1 4.07Å; L424-L439 HydrophobicContact CD2-CD1 4.07Å; E435-L439 HydrophobicContact CG-CD1 4Å; E435-L439 HydrophobicContact CG-CG 4.37Å; E435-L439 WeakPolarHBondContact O-CG 3.29Å; E435-L439 PolarHBondContact O-N 3.35Å; V436-L439 PolarHBondContact O-N 3.21Å; L439-H441 PolarHBondContact O-N 3.39Å; L439-E442 PolarHBondContact O-N 3.5Å |
| 440 | E | 88.5 | Confident | 88.7 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -26.9 | 177.9 | -79 | -57.4 | 144 | 0 | 0 | 113.2 | R359 C362 A380 V436 | R359-E440 IonicContact CZ-OE2 3.57Å; R359-E440 VanDerWaalsContact NH1-C 3.35Å; R359-E440 PolarHBondContact NH1-O 2.88Å; R359-E440 IonicContact NH1-OE2 2.87Å; R359-E440 PolarHBondContact NH2-O 3.36Å; R359-E440 IonicContact NH2-OE2 3.47Å; R359-E440 PolarHBondContact NH2-OE2 3.01Å; C362-E440 HydrophobicContact CB-CG 4.18Å; C362-E440 WeakPolarHBondContact CB-OE1 3.4Å; C362-E440 PolarHBondContact N-OE1 2.95Å; A380-E440 HydrophobicContact CB-CG 4.12Å; V436-E440 HydrophobicContact CG1-CG 4.29Å; V436-E440 WeakPolarHBondContact O-CB 3.09Å; V436-E440 WeakPolarHBondContact O-CG 3.31Å; V436-E440 PolarHBondContact O-N 3.34Å |
| 441 | H | 89.6 | Confident | 88.9 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 14.7 | 176.2 | -60.2 | 98.9 | 0 | 0 | 0 | 113.3 | L437 L438 L439 V443 M831 Y834 A835 | L437-H441 PolarHBondContact O-N 3.22Å; L437-H441 PolarHBondContact O-ND1 3.42Å; L438-H441 CarbonylContact O-C 3.53Å; L438-H441 PolarHBondContact O-N 2.85Å; L439-H441 PolarHBondContact O-N 3.39Å; H441-V443 HydrophobicContact CB-CG2 4.13Å; H441-V443 PolarHBondContact O-N 3.27Å; H441-V443 VanDerWaalsContact O-N 3.09Å; H441-M831 WeakPolarHBondContact O-CB 3.31Å; H441-M831 VanDerWaalsContact O-CG 3.27Å; H441-M831 WeakPolarHBondContact O-CG 3.26Å; H441-Y834 WeakPolarHBondContact CD2-CB 3.35Å; H441-Y834 WeakPolarHBondContact NE2-CB 3.45Å; H441-A835 HydrophobicContact CB-CB 4.03Å |
| 442 | E | 87.7 | Confident | 88.9 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 35.7 | 176.6 | -56.7 | 179.9 | -100.8 | 0 | 0 | 113.4 | L438 L439 P444 H827 R828 | L438-E442 PolarHBondContact O-N 2.88Å; L439-E442 PolarHBondContact O-N 3.5Å; E442-P444 WeakPolarHBondContact O-CD 3.48Å; E442-H827 IonicContact OE1-CE1 3.64Å; E442-R828 PolarHBondContact O-NH1 3.01Å |
| 443 | V | 92 | Very high | 88.9 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | trans | -83.6 | 116.5 | 179.5 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | L438 H441 H445 V534 I541 A835 | L438-V443 HydrophobicContact CB-CB 4.32Å; L438-V443 HydrophobicContact CD2-CB 3.72Å; L438-V443 HydrophobicContact CD2-CG1 3.78Å; L438-V443 HydrophobicContact CD2-CG2 4.07Å; L438-V443 PolarHBondContact O-N 3.01Å; H441-V443 HydrophobicContact CB-CG2 4.13Å; H441-V443 PolarHBondContact O-N 3.27Å; H441-V443 VanDerWaalsContact O-N 3.09Å; V443-H445 PolarHBondContact O-N 2.66Å; V443-H445 VanDerWaalsContact O-N 3.16Å; V443-H445 PolarHBondContact O-ND1 2.67Å; V443-V534 HydrophobicContact CG1-CB 4.11Å; V443-V534 HydrophobicContact CG1-CG1 4.43Å; V443-V534 HydrophobicContact CG1-CG2 3.57Å; V443-V534 HydrophobicContact CG2-CG1 4.49Å; V443-V534 HydrophobicContact CG2-CG2 4.22Å; V443-I541 HydrophobicContact CG1-CD1 4.02Å; V443-I541 HydrophobicContact CG1-CG2 4.49Å; V443-A835 HydrophobicContact CG2-CB 3.98Å | ||
| 444 | P | 88.1 | Confident | 89 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | trans | -67.7 | 115.2 | 174.9 | -13.9 | 29.2 | 0 | 0 | 0 | 109.6 | E442 R530 | E442-P444 WeakPolarHBondContact O-CD 3.48Å; P444-R530 HydrophobicContact CB-CG 4.27Å; P444-R530 HydrophobicContact CG-CG 4.47Å | ||
| 445 | H | 89.9 | Confident | 89.1 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | trans | -132 | 15.1 | -174.7 | 62.3 | -86.5 | 0 | 0 | 0 | 113 | L438 V443 I541 | L438-H445 HydrophobicContact CD1-CB 3.77Å; V443-H445 PolarHBondContact O-N 2.66Å; V443-H445 VanDerWaalsContact O-N 3.16Å; V443-H445 PolarHBondContact O-ND1 2.67Å; H445-I541 HydrophobicContact CB-CD1 4.02Å; H445-I541 HydrophobicContact CB-CG2 3.96Å | ||
| 446 | H | 86.5 | Confident | 89.3 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 156.8 | 171.9 | 61.5 | -84.2 | 0 | 0 | 0 | 110.6 | E526 R530 | H446-E526 IonicContact CE1-OE1 3.7Å; H446-E526 IonicContact NE2-OE1 3.5Å; H446-E526 PolarHBondContact NE2-OE1 3.39Å; H446-E526 IonicContact NE2-OE2 2.77Å; H446-R530 PolarHBondContact O-NH2 3.36Å |
| 447 | E | 87.1 | Confident | 89.3 | Confident | 182 Ų | 182 | 59.5 Ų | 59.5 | 85% | 0.85 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 151.8 | 176.1 | -63.6 | -173.4 | 167 | 0 | 0 | 111.9 | G449 | E447-G449 PolarHBondContact O-N 2.83Š|
| 448 | F | 87.6 | Confident | 89.3 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 18% | 0.18 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 117.3 | 177.9 | -64.3 | -75.8 | 0 | 0 | 0 | 110.4 | I452 L453 E526 L544 P545 | F448-I452 HydrophobicContact CB-CB 4.42Å; F448-I452 HydrophobicContact CB-CG2 4.17Å; F448-I452 HydrophobicContact CD1-CD1 4.36Å; F448-I452 HydrophobicContact CD1-CG2 3.88Å; F448-I452 HydrophobicContact CG-CG2 4.37Å; F448-L453 HydrophobicContact CB-CD2 3.95Å; F448-L453 HydrophobicContact CB-CG 4.31Å; F448-L453 WeakPolarHBondContact O-CD1 3.5Å; F448-E526 HydrophobicContact CD1-CG 4.06Å; F448-E526 HydrophobicContact CE1-CG 3.97Å; F448-L544 VanDerWaalsContact CZ-C 3.41Å; F448-P545 HydrophobicContact CD1-CG 4.19Å; F448-P545 HydrophobicContact CD2-CB 4.22Å; F448-P545 HydrophobicContact CD2-CG 4.15Å; F448-P545 HydrophobicContact CE1-CG 4.38Å; F448-P545 HydrophobicContact CE2-CB 4.4Å; F448-P545 HydrophobicContact CE2-CG 4.35Å; F448-P545 HydrophobicContact CG-CG 4.06Å; F448-P545 HydrophobicContact CZ-CG 4.46Å |
| 449 | G | 84.7 | Confident | 89.2 | Confident | 39 Ų | 39 | 73 Ų | 73 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 162.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E447 N451 I452 L453 | E447-G449 PolarHBondContact O-N 2.83Å; G449-N451 VanDerWaalsContact C-N 3.28Å; G449-N451 PolarHBondContact O-N 3.01Å; G449-N451 VanDerWaalsContact O-N 3.16Å; G449-I452 WeakPolarHBondContact O-CB 3.23Å; G449-I452 PolarHBondContact O-N 3.26Å; G449-L453 PolarHBondContact O-N 3.19Å; G449-L453 VanDerWaalsContact O-N 3.13Å |
| 450 | E | 85.5 | Confident | 89.1 | Confident | 168 Ų | 168 | 76 Ų | 76 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -55.6 | -37.6 | -174.1 | -62.8 | -171.4 | 161.1 | 0 | 0 | 113.9 | I452 L453 A454 | E450-I452 PolarHBondContact O-N 2.99Å; E450-L453 PolarHBondContact O-N 3.04Å; E450-A454 VanDerWaalsContact O-CB 3.31Å; E450-A454 WeakPolarHBondContact O-CB 3.37Å; E450-A454 PolarHBondContact O-N 3.31Å |
| 451 | N | 87.2 | Confident | 89.2 | Confident | 132 Ų | 132 | 77.3 Ų | 77.3 | 71% | 0.706 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.8 | -32 | 177.2 | -69.3 | -31.2 | 0 | 0 | 0 | 112.8 | G449 C455 A522 | G449-N451 VanDerWaalsContact C-N 3.28Å; G449-N451 PolarHBondContact O-N 3.01Å; G449-N451 VanDerWaalsContact O-N 3.16Å; N451-C455 PolarHBondContact O-SG 2.81Å; N451-C455 VanDerWaalsContact O-SG 3.33Å; N451-A522 HydrophobicContact CB-CB 4.29Å |
| 452 | I | 87.7 | Confident | 89.3 | Confident | 17 Ų | 17 | 80.3 Ų | 80.3 | 9% | 0.087 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -76.8 | -46.2 | 176.6 | -64.2 | 155.9 | 0 | 0 | 0 | 109.2 | F448 G449 E450 A454 C455 A522 M523 E526 P545 | F448-I452 HydrophobicContact CB-CB 4.42Å; F448-I452 HydrophobicContact CB-CG2 4.17Å; F448-I452 HydrophobicContact CD1-CD1 4.36Å; F448-I452 HydrophobicContact CD1-CG2 3.88Å; F448-I452 HydrophobicContact CG-CG2 4.37Å; G449-I452 WeakPolarHBondContact O-CB 3.23Å; G449-I452 PolarHBondContact O-N 3.26Å; E450-I452 PolarHBondContact O-N 2.99Å; I452-A454 VanDerWaalsContact C-N 3.26Å; I452-A454 PolarHBondContact O-N 3.1Å; I452-C455 VanDerWaalsContact O-CB 3.24Å; I452-C455 WeakPolarHBondContact O-CB 3.49Å; I452-C455 PolarHBondContact O-N 3.1Å; I452-A522 HydrophobicContact CG1-CB 4.16Å; I452-M523 HydrophobicContact CG2-CB 4.07Å; I452-M523 HydrophobicContact CG2-CG 4.26Å; I452-E526 HydrophobicContact CD1-CB 3.89Å; I452-E526 HydrophobicContact CD1-CG 3.76Å; I452-E526 HydrophobicContact CG1-CB 4.22Å; I452-P545 HydrophobicContact CG2-CG 4.14Å |
| 453 | L | 90.8 | Very high | 89.5 | Confident | 80 Ų | 80 | 78.3 Ų | 78.3 | 42% | 0.419 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -33 | 178.1 | -61.8 | 178.7 | 0 | 0 | 0 | 112.4 | F448 G449 E450 C455 L456 P545 | F448-L453 HydrophobicContact CB-CD2 3.95Å; F448-L453 HydrophobicContact CB-CG 4.31Å; F448-L453 WeakPolarHBondContact O-CD1 3.5Å; G449-L453 PolarHBondContact O-N 3.19Å; G449-L453 VanDerWaalsContact O-N 3.13Å; E450-L453 PolarHBondContact O-N 3.04Å; L453-C455 PolarHBondContact O-N 2.85Å; L453-L456 HydrophobicContact CD2-CD1 3.98Å; L453-L456 VanDerWaalsContact O-CB 3.23Å; L453-L456 WeakPolarHBondContact O-CB 3.37Å; L453-L456 WeakPolarHBondContact O-CG 3.47Å; L453-L456 PolarHBondContact O-N 3.28Å; L453-P545 HydrophobicContact CD2-CB 4.38Å |
| 454 | A | 92.5 | Very high | 89.6 | Confident | 83 Ų | 83 | 81 Ų | 81 | 69% | 0.686 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E450 I452 L456 | E450-A454 VanDerWaalsContact O-CB 3.31Å; E450-A454 WeakPolarHBondContact O-CB 3.37Å; E450-A454 PolarHBondContact O-N 3.31Å; I452-A454 VanDerWaalsContact C-N 3.26Å; I452-A454 PolarHBondContact O-N 3.1Å; A454-L456 VanDerWaalsContact C-N 3.28Å |
| 455 | C | 91.7 | Very high | 89.8 | Confident | 42 Ų | 42 | 83.4 Ų | 83.4 | 28% | 0.284 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -11.7 | 173.6 | -60 | 0 | 0 | 0 | 0 | 112.8 | N451 I452 L453 M523 | N451-C455 PolarHBondContact O-SG 2.81Å; N451-C455 VanDerWaalsContact O-SG 3.33Å; I452-C455 VanDerWaalsContact O-CB 3.24Å; I452-C455 WeakPolarHBondContact O-CB 3.49Å; I452-C455 PolarHBondContact O-N 3.1Å; L453-C455 PolarHBondContact O-N 2.85Å; C455-M523 HydrophobicContact CB-CB 3.8Å; C455-M523 HydrophobicContact CB-CE 4.01Å; C455-M523 HydrophobicContact CB-SD 4.39Å |
| 456 | L | 93.9 | Very high | 89.9 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 19% | 0.188 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -69.5 | 146.3 | -179.4 | -66.2 | 173 | 0 | 0 | 0 | 111.3 | L453 A454 M523 P545 L547 L548 | L453-L456 HydrophobicContact CD2-CD1 3.98Å; L453-L456 VanDerWaalsContact O-CB 3.23Å; L453-L456 WeakPolarHBondContact O-CB 3.37Å; L453-L456 WeakPolarHBondContact O-CG 3.47Å; L453-L456 PolarHBondContact O-N 3.28Å; A454-L456 VanDerWaalsContact C-N 3.28Å; L456-M523 HydrophobicContact CD2-SD 4.15Å; L456-P545 HydrophobicContact CD1-CB 4.22Å; L456-P545 HydrophobicContact CD2-CB 4.12Å; L456-P545 HydrophobicContact CD2-CG 4.21Å; L456-L547 HydrophobicContact CB-CD2 4.17Å; L456-L547 HydrophobicContact CD1-CB 4.39Å; L456-L547 HydrophobicContact CD1-CD2 4.19Å; L456-L547 HydrophobicContact CD2-CB 4.45Å; L456-L547 HydrophobicContact CD2-CD2 4.35Å; L456-L547 HydrophobicContact CG-CD2 4.48Å; L456-L548 HydrophobicContact CD2-CD1 4.04Å; L456-L548 HydrophobicContact CD2-CD2 4.3Å; L456-L548 HydrophobicContact CD2-CG 3.76Å |
| 457 | P | 92 | Very high | 90.2 | Very high | 33 Ų | 33 | 79.9 Ų | 79.9 | 21% | 0.214 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 148.1 | 174.1 | 28.3 | -34.8 | 0 | 0 | 0 | 110.9 | M459 F516 L552 | P457-M459 PolarHBondContact O-N 2.63Å; P457-F516 HydrophobicContact CG-CD1 4.16Å; P457-F516 HydrophobicContact CG-CE1 4.38Å; P457-L552 HydrophobicContact CG-CD1 3.44Å; P457-L552 VanDerWaalsContact CG-CD1 3.44Å |
| 458 | K | 89.3 | Confident | 90.5 | Very high | 194 Ų | 194 | 74.8 Ų | 74.8 | 84% | 0.843 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 133.7 | 174.2 | -66.9 | -174.1 | 179.5 | -177.1 | 0 | 110.3 | P460 | K458-P460 CarbonylContact O-C 3.56Š|
| 459 | M | 90.3 | Very high | 90.7 | Very high | 104 Ų | 104 | 81.5 Ų | 81.5 | 51% | 0.512 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -90.9 | 143.3 | 174.6 | -65.3 | -60 | -78.3 | 0 | 0 | 110.9 | P457 W461 L547 L552 | P457-M459 PolarHBondContact O-N 2.63Å; M459-W461 HydrophobicContact SD-CB 3.76Å; M459-L547 HydrophobicContact CE-CD1 4.13Å; M459-L547 HydrophobicContact CG-CD1 4.37Å; M459-L547 HydrophobicContact CG-CD2 4.19Å; M459-L547 HydrophobicContact SD-CD1 4.05Å; M459-L547 HydrophobicContact SD-CD2 4.34Å; M459-L552 HydrophobicContact CE-CD2 4.38Å; M459-L552 HydrophobicContact SD-CD1 4.31Å; M459-L552 HydrophobicContact SD-CD2 4.36Å |
| 460 | P | 89 | Confident | 91 | Very high | 116 Ų | 116 | 84.5 Ų | 84.5 | 75% | 0.753 | 46% | 0.462 | S | S | * | . | S | Bend | cis | -75.9 | 134.5 | 1 | 31.3 | -34.4 | 0 | 0 | 0 | 112.7 | K458 | K458-P460 CarbonylContact O-C 3.56Š|
| 461 | W | 90.1 | Very high | 91.5 | Very high | 46 Ų | 46 | 77.5 Ų | 77.5 | 17% | 0.174 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 130.3 | 173.5 | -179.3 | 86.9 | 0 | 0 | 0 | 110.3 | M459 I463 F516 L552 F562 | M459-W461 HydrophobicContact SD-CB 3.76Å; W461-I463 HydrophobicContact CH2-CG1 3.85Å; W461-I463 HydrophobicContact CZ3-CG1 4.12Å; W461-F516 HydrophobicContact CD2-CE1 4.41Å; W461-F516 AromaticContact CE2-CE1 3.73Å; W461-F516 AromaticContact CE2-CZ 3.86Å; W461-F516 HydrophobicContact CH2-CZ 4.09Å; W461-F516 AromaticContact CZ2-CE1 3.93Å; W461-F516 HydrophobicContact CZ2-CE1 3.93Å; W461-F516 AromaticContact CZ2-CZ 3.61Å; W461-F516 HydrophobicContact CZ2-CZ 3.61Å; W461-F516 AromaticContact NE1-CE1 3.66Å; W461-L552 HydrophobicContact CB-CD1 4.31Å; W461-L552 HydrophobicContact CB-CD2 4.05Å; W461-L552 HydrophobicContact CD2-CD2 4.19Å; W461-L552 HydrophobicContact CE3-CD2 3.87Å; W461-L552 HydrophobicContact CG-CD1 4.37Å; W461-L552 HydrophobicContact CG-CD2 4.3Å; W461-F562 HydrophobicContact CH2-CD1 4.27Å; W461-F562 AromaticContact CH2-CD2 3.98Å; W461-F562 HydrophobicContact CH2-CD2 3.98Å; W461-F562 HydrophobicContact CH2-CE1 4.08Å; W461-F562 AromaticContact CH2-CE2 3.82Å; W461-F562 HydrophobicContact CH2-CE2 3.82Å; W461-F562 HydrophobicContact CH2-CG 4.2Å; W461-F562 AromaticContact CH2-CZ 3.81Å; W461-F562 HydrophobicContact CH2-CZ 3.81Å; W461-F562 AromaticContact CZ2-CD2 3.78Å; W461-F562 HydrophobicContact CZ2-CD2 3.78Å; W461-F562 HydrophobicContact CZ2-CE1 4.33Å; W461-F562 AromaticContact CZ2-CE2 3.34Å; W461-F562 HydrophobicContact CZ2-CE2 3.34Å; W461-F562 HydrophobicContact CZ2-CG 4.45Å; W461-F562 AromaticContact CZ2-CZ 3.59Å; W461-F562 HydrophobicContact CZ2-CZ 3.59Å |
| 462 | V | 91.7 | Very high | 92 | Very high | 99 Ų | 99 | 74.6 Ų | 74.6 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | trans | -138.5 | 148.8 | -179.6 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | T464 | V462-T464 PolarHBondContact O-N 2.81Š| ||
| 463 | I | 92.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 76.8 Ų | 76.8 | 20% | 0.2 | 42% | 0.422 | C | S | . | . | trans | -68.2 | 126.7 | 175.3 | -60.6 | -176.5 | 0 | 0 | 0 | 109.3 | W461 D467 L468 D560 F562 I585 | W461-I463 HydrophobicContact CH2-CG1 3.85Å; W461-I463 HydrophobicContact CZ3-CG1 4.12Å; I463-D467 HydrophobicContact CG2-CB 3.95Å; I463-L468 HydrophobicContact CG2-CG 4.38Å; I463-D560 HydrophobicContact CD1-CB 3.55Å; I463-F562 HydrophobicContact CB-CE1 4.33Å; I463-F562 HydrophobicContact CD1-CD1 4.21Å; I463-F562 HydrophobicContact CD1-CE1 3.81Å; I463-F562 HydrophobicContact CG1-CD1 4.43Å; I463-F562 HydrophobicContact CG1-CE1 3.68Å; I463-F562 HydrophobicContact CG1-CZ 4.18Å; I463-F562 HydrophobicContact CG2-CE1 3.97Å; I463-F562 HydrophobicContact CG2-CZ 4.42Å; I463-I585 HydrophobicContact CD1-CG1 4.4Å; I463-I585 HydrophobicContact CD1-CG2 3.54Å; I463-I585 HydrophobicContact CG2-CD1 3.86Å | ||
| 464 | T | 93.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 73.1 Ų | 73.1 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | trans | -95.4 | 166.8 | -177.7 | 74.2 | 0 | 0 | 0 | 0 | 112.2 | V462 S466 D467 L468 | V462-T464 PolarHBondContact O-N 2.81Å; T464-S466 PolarHBondContact O-N 3.28Å; T464-S466 PolarHBondContact OG1-N 2.86Å; T464-D467 WeakPolarHBondContact CA-OD2 3.3Å; T464-D467 WeakPolarHBondContact CB-OD2 3.36Å; T464-D467 PolarHBondContact N-OD2 2.8Å; T464-D467 WeakPolarHBondContact O-CB 3.18Å; T464-D467 PolarHBondContact O-N 2.94Å; T464-D467 VanDerWaalsContact OG1-CG 3.28Å; T464-D467 PolarHBondContact OG1-N 3.43Å; T464-D467 PolarHBondContact OG1-OD2 2.96Å; T464-L468 PolarHBondContact O-N 2.98Å | ||
| 465 | A | 92.8 | Very high | 93.1 | Very high | 72 Ų | 72 | 72.4 Ų | 72.4 | 60% | 0.595 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K469 | A465-K469 WeakPolarHBondContact O-CG 3.37Š|
| 466 | S | 92.2 | Very high | 93.3 | Very high | 68 Ų | 68 | 76.8 Ų | 76.8 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -42.3 | 173.8 | -162.9 | 0 | 0 | 0 | 0 | 110.6 | T464 L468 K469 E470 | T464-S466 PolarHBondContact O-N 3.28Å; T464-S466 PolarHBondContact OG1-N 2.86Å; S466-L468 VanDerWaalsContact C-N 3.29Å; S466-L468 PolarHBondContact O-N 2.95Å; S466-K469 WeakPolarHBondContact O-CB 3.2Å; S466-K469 PolarHBondContact O-N 2.93Å; S466-E470 PolarHBondContact O-N 3.39Å |
| 467 | D | 92.8 | Very high | 93.5 | Very high | 21 Ų | 21 | 75.9 Ų | 75.9 | 11% | 0.112 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 178.6 | -58.3 | -56.3 | 0 | 0 | 0 | 111.9 | I463 T464 K469 E470 R471 F562 | I463-D467 HydrophobicContact CG2-CB 3.95Å; T464-D467 WeakPolarHBondContact CA-OD2 3.3Å; T464-D467 WeakPolarHBondContact CB-OD2 3.36Å; T464-D467 PolarHBondContact N-OD2 2.8Å; T464-D467 WeakPolarHBondContact O-CB 3.18Å; T464-D467 PolarHBondContact O-N 2.94Å; T464-D467 VanDerWaalsContact OG1-CG 3.28Å; T464-D467 PolarHBondContact OG1-N 3.43Å; T464-D467 PolarHBondContact OG1-OD2 2.96Å; D467-K469 PolarHBondContact O-N 2.77Å; D467-E470 PolarHBondContact O-N 2.89Å; D467-R471 VanDerWaalsContact O-CB 3.31Å; D467-R471 WeakPolarHBondContact O-CB 3.29Å; D467-R471 WeakPolarHBondContact O-CG 3.36Å; D467-R471 PolarHBondContact O-N 3.13Å; D467-F562 HydrophobicContact CB-CE1 3.91Å; D467-F562 HydrophobicContact CB-CZ 3.54Å |
| 468 | L | 92.2 | Very high | 93.7 | Very high | 75 Ų | 75 | 75.6 Ų | 75.6 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.4 | -21.2 | 175.1 | -76.3 | 165.4 | 0 | 0 | 0 | 113.8 | I463 T464 S466 I585 | I463-L468 HydrophobicContact CG2-CG 4.38Å; T464-L468 PolarHBondContact O-N 2.98Å; S466-L468 VanDerWaalsContact C-N 3.29Å; S466-L468 PolarHBondContact O-N 2.95Å; L468-I585 HydrophobicContact CD2-CD1 3.57Å; L468-I585 HydrophobicContact CG-CD1 4.04Å |
| 469 | K | 92.2 | Very high | 94.2 | Very high | 182 Ų | 182 | 66.3 Ų | 66.3 | 79% | 0.791 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -84.6 | -29.9 | 175.4 | -69.1 | 176.1 | -177 | -179.1 | 0 | 112.2 | A465 S466 D467 | A465-K469 WeakPolarHBondContact O-CG 3.37Å; S466-K469 WeakPolarHBondContact O-CB 3.2Å; S466-K469 PolarHBondContact O-N 2.93Å; D467-K469 PolarHBondContact O-N 2.77Å |
| 470 | E | 91.4 | Very high | 94.5 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 48% | 0.477 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -92.8 | -10.3 | -177.4 | -61.8 | -165.3 | 180 | 0 | 0 | 113.4 | S466 D467 R806 | S466-E470 PolarHBondContact O-N 3.39Å; D467-E470 PolarHBondContact O-N 2.89Å; E470-R806 IonicContact OE1-CZ 3.82Å; E470-R806 IonicContact OE1-NH1 3.37Å; E470-R806 IonicContact OE1-NH2 3.68Å; E470-R806 PolarHBondContact OE1-NH2 3.25Å; E470-R806 IonicContact OE2-CZ 3.95Å; E470-R806 IonicContact OE2-NH1 2.77Å; E470-R806 PolarHBondContact OE2-NH1 2.99Å; E470-R806 IonicContact OE2-NH2 2.69Å; E470-R806 PolarHBondContact OE2-NH2 3.38Å |
| 471 | R | 96.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -129.1 | 142.4 | -173.5 | -60 | 177.3 | 177.2 | -85.5 | -2.5 | 111.2 | D467 D512 H515 F562 K583 I585 | D467-R471 VanDerWaalsContact O-CB 3.31Å; D467-R471 WeakPolarHBondContact O-CB 3.29Å; D467-R471 WeakPolarHBondContact O-CG 3.36Å; D467-R471 PolarHBondContact O-N 3.13Å; R471-D512 IonicContact CZ-OD2 3.16Å; R471-D512 IonicContact NH1-OD2 2.72Å; R471-D512 PolarHBondContact NH1-OD2 3.43Å; R471-D512 IonicContact NH2-OD2 2.74Å; R471-D512 PolarHBondContact NH2-OD2 2.98Å; R471-H515 PolarHBondContact NH2-ND1 2.81Å; R471-F562 VanDerWaalsContact CZ-CD2 3.47Å; R471-F562 VanDerWaalsContact CZ-CG 3.42Å; R471-F562 VanDerWaalsContact NH2-CD2 3.33Å; R471-K583 WeakPolarHBondContact CA-O 3.38Å; R471-K583 HydrophobicContact CG-CB 4.1Å; R471-I585 HydrophobicContact CB-CD1 3.99Å; R471-I585 HydrophobicContact CB-CG1 3.85Å; R471-I585 HydrophobicContact CG-CG1 4.44Å |
| 472 | E | 97.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 53.7 Ų | 53.7 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 129.4 | 172.4 | -169.5 | 176.4 | 157.6 | 0 | 0 | 110.6 | L474 R580 C582 K583 S584 I585 | E472-L474 HydrophobicContact CG-CD2 3.87Å; E472-L474 HydrophobicContact CG-CG 4.26Å; E472-L474 PolarHBondContact O-N 2.87Å; E472-L474 WeakPolarHBondContact OE1-CD2 3.46Å; E472-R580 VanDerWaalsContact CD-NH1 3.3Å; E472-R580 IonicContact OE1-CZ 2.69Å; E472-R580 IonicContact OE1-NH1 3.41Å; E472-R580 PolarHBondContact OE1-NH1 3.07Å; E472-R580 VanDerWaalsContact OE1-NH1 3.09Å; E472-R580 IonicContact OE1-NH2 3.35Å; E472-R580 PolarHBondContact OE1-NH2 2.78Å; E472-R580 IonicContact OE2-CZ 3.03Å; E472-R580 IonicContact OE2-NH1 2.69Å; E472-R580 PolarHBondContact OE2-NH1 3.43Å; E472-R580 IonicContact OE2-NH2 3.7Å; E472-C582 PolarHBondContact OE2-SG 3.3Å; E472-K583 PolarHBondContact N-O 2.85Å; E472-S584 CarbonylContact O-C 3.59Å; E472-S584 WeakPolarHBondContact O-CA 3.46Å; E472-S584 WeakPolarHBondContact O-CB 3.42Å; E472-I585 PolarHBondContact O-N 2.86Å |
| 473 | D | 98 | Very high | 95.3 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 34% | 0.342 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 103 | 178.5 | -172 | -3.4 | 0 | 0 | 0 | 111.2 | R475 H476 | D473-R475 VanDerWaalsContact OD1-CB 3.27Å; D473-R475 WeakPolarHBondContact OD1-CB 3.33Å; D473-R475 VanDerWaalsContact OD1-CG 3.22Å; D473-R475 WeakPolarHBondContact OD1-CG 3.23Å; D473-R475 IonicContact OD1-CZ 3.54Å; D473-R475 PolarHBondContact OD1-N 3.03Å; D473-R475 IonicContact OD1-NE 2.7Å; D473-R475 PolarHBondContact OD1-NE 2.87Å; D473-R475 IonicContact OD1-NH2 3.05Å; D473-R475 IonicContact OD2-CZ 3.6Å; D473-R475 IonicContact OD2-NE 3.1Å; D473-R475 PolarHBondContact OD2-NE 3.24Å; D473-R475 IonicContact OD2-NH2 3.79Å; D473-R475 PolarHBondContact OD2-NH2 2.84Å; D473-H476 PolarHBondContact O-CE1 3.02Å; D473-H476 VanDerWaalsContact O-CE1 3.3Å; D473-H476 PolarHBondContact O-ND1 3.24Å |
| 474 | L | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | -105.1 | 11.9 | -179.7 | -60.7 | -177 | 0 | 0 | 0 | 112.3 | E472 H476 L477 I479 I567 I585 I586 | E472-L474 HydrophobicContact CG-CD2 3.87Å; E472-L474 HydrophobicContact CG-CG 4.26Å; E472-L474 PolarHBondContact O-N 2.87Å; E472-L474 WeakPolarHBondContact OE1-CD2 3.46Å; L474-H476 PolarHBondContact O-N 2.94Å; L474-H476 VanDerWaalsContact O-N 3.09Å; L474-L477 HydrophobicContact CB-CD1 4.21Å; L474-L477 HydrophobicContact CD2-CD1 4.04Å; L474-L477 WeakPolarHBondContact O-CB 3.32Å; L474-L477 PolarHBondContact O-N 2.82Å; L474-I479 HydrophobicContact CB-CD1 4.43Å; L474-I567 HydrophobicContact CD1-CD1 3.84Å; L474-I585 WeakPolarHBondContact CA-O 3.48Å; L474-I585 PolarHBondContact N-O 3.33Å; L474-I586 HydrophobicContact CB-CG2 4.14Å | ||
| 475 | R | 97.6 | Very high | 94.7 | Very high | 69 Ų | 69 | 50.9 Ų | 50.9 | 26% | 0.26 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17 | -177.1 | -65.6 | 177.5 | -69.8 | 180 | 0.1 | 113.9 | D473 L477 D560 I585 R587 R589 | D473-R475 VanDerWaalsContact OD1-CB 3.27Å; D473-R475 WeakPolarHBondContact OD1-CB 3.33Å; D473-R475 VanDerWaalsContact OD1-CG 3.22Å; D473-R475 WeakPolarHBondContact OD1-CG 3.23Å; D473-R475 IonicContact OD1-CZ 3.54Å; D473-R475 PolarHBondContact OD1-N 3.03Å; D473-R475 IonicContact OD1-NE 2.7Å; D473-R475 PolarHBondContact OD1-NE 2.87Å; D473-R475 IonicContact OD1-NH2 3.05Å; D473-R475 IonicContact OD2-CZ 3.6Å; D473-R475 IonicContact OD2-NE 3.1Å; D473-R475 PolarHBondContact OD2-NE 3.24Å; D473-R475 IonicContact OD2-NH2 3.79Å; D473-R475 PolarHBondContact OD2-NH2 2.84Å; R475-L477 VanDerWaalsContact C-N 3.34Å; R475-D560 WeakPolarHBondContact CD-OD2 3.36Å; R475-D560 IonicContact CZ-OD2 3.54Å; R475-D560 IonicContact NE-OD2 3.09Å; R475-D560 IonicContact NH1-OD2 2.69Å; R475-D560 PolarHBondContact NH1-OD2 3.07Å; R475-I585 HydrophobicContact CG-CG2 3.92Å; R475-I585 PolarHBondContact N-O 3.3Å; R475-R587 HydrophobicContact CB-CB 4.06Å; R475-R587 HydrophobicContact CG-CB 3.93Å; R475-R589 VanDerWaalsContact O-CZ 3.31Å; R475-R589 PolarHBondContact O-NH1 3.31Å; R475-R589 PolarHBondContact O-NH2 3.48Å |
| 476 | H | 96.5 | Very high | 94.3 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 62% | 0.616 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -22.4 | 175.9 | 64.8 | -82.2 | 0 | 0 | 0 | 112.9 | D473 L474 | D473-H476 PolarHBondContact O-CE1 3.02Å; D473-H476 VanDerWaalsContact O-CE1 3.3Å; D473-H476 PolarHBondContact O-ND1 3.24Å; L474-H476 PolarHBondContact O-N 2.94Å; L474-H476 VanDerWaalsContact O-N 3.09Å |
| 477 | L | 97.5 | Very high | 94 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -74.8 | 151.4 | 179.5 | -62.7 | 179.9 | 0 | 0 | 0 | 112.3 | L474 R475 I479 V497 | L474-L477 HydrophobicContact CB-CD1 4.21Å; L474-L477 HydrophobicContact CD2-CD1 4.04Å; L474-L477 WeakPolarHBondContact O-CB 3.32Å; L474-L477 PolarHBondContact O-N 2.82Å; R475-L477 VanDerWaalsContact C-N 3.34Å; L477-I479 HydrophobicContact CB-CD1 4.02Å; L477-I479 HydrophobicContact CB-CG1 3.92Å; L477-I479 PolarHBondContact O-N 3.26Å; L477-I479 VanDerWaalsContact O-N 3.17Å; L477-V497 HydrophobicContact CD2-CG2 4.44Å |
| 478 | V | 97.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | trans | -86.1 | 85 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | H495 R589 Q609 L610 | V478-H495 WeakPolarHBondContact O-CB 3.12Å; V478-R589 HydrophobicContact CG1-CG 4.32Å; V478-Q609 HydrophobicContact CG1-CB 4.46Å; V478-Q609 HydrophobicContact CG2-CB 3.98Å; V478-Q609 VanDerWaalsContact CG2-OE1 3.24Å; V478-L610 HydrophobicContact CG1-CB 3.7Å; V478-L610 HydrophobicContact CG1-CD1 4.1Å; V478-L610 HydrophobicContact CG1-CG 4.45Å | ||
| 479 | I | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -99.3 | 141.4 | -179.9 | -63.6 | 164.9 | 0 | 0 | 0 | 109.5 | L474 L477 A493 L494 H495 H509 I586 R589 | L474-I479 HydrophobicContact CB-CD1 4.43Å; L477-I479 HydrophobicContact CB-CD1 4.02Å; L477-I479 HydrophobicContact CB-CG1 3.92Å; L477-I479 PolarHBondContact O-N 3.26Å; L477-I479 VanDerWaalsContact O-N 3.17Å; I479-A493 HydrophobicContact CG2-CB 3.45Å; I479-A493 VanDerWaalsContact CG2-CB 3.45Å; I479-L494 WeakPolarHBondContact CA-O 3.38Å; I479-H495 HydrophobicContact CG1-CB 4.01Å; I479-H509 WeakPolarHBondContact CD1-NE2 3.31Å; I479-I586 HydrophobicContact CD1-CB 3.86Å; I479-I586 HydrophobicContact CD1-CG2 3.7Å; I479-I586 HydrophobicContact CG2-CD1 4.33Å; I479-R589 WeakPolarHBondContact O-CB 3.49Å; I479-R589 PolarHBondContact O-N 3.21Å | ||
| 480 | C | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154.7 | 171.7 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | A493 L494 A590 L610 | C480-A493 CarbonylContact O-C 3.55Å; C480-A493 VanDerWaalsContact O-CA 3.3Å; C480-A493 WeakPolarHBondContact O-CA 3.3Å; C480-L494 PolarHBondContact N-O 2.62Å; C480-L494 PolarHBondContact O-N 3.42Å; C480-A590 VanDerWaalsContact CA-O 3.22Å; C480-A590 WeakPolarHBondContact CA-O 3.26Å; C480-A590 HydrophobicContact CB-CB 4.43Å; C480-A590 VanDerWaalsContact CB-O 3.31Å; C480-A590 WeakPolarHBondContact CB-O 3.44Å; C480-L610 HydrophobicContact CB-CD1 3.61Å; C480-L610 VanDerWaalsContact SG-CD1 3.52Å |
| 481 | S | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 155.1 | 166.5 | 79 | 0 | 0 | 0 | 0 | 110.9 | D483 I490 D492 A590 A591 L592 | S481-D483 WeakPolarHBondContact CB-OD2 3.4Å; S481-D483 PolarHBondContact OG-OD2 3.24Å; S481-I490 VanDerWaalsContact CB-CG2 3.44Å; S481-I490 WeakPolarHBondContact OG-CG2 3.21Å; S481-D492 WeakPolarHBondContact CB-O 3.39Å; S481-A590 PolarHBondContact N-O 3.27Å; S481-A591 WeakPolarHBondContact OG-CA 3.49Å; S481-L592 PolarHBondContact O-N 2.96Å |
| 482 | I | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 106.2 | 177.3 | -51.5 | 172.1 | 0 | 0 | 0 | 109.1 | L592 Y594 A597 L614 L666 V667 | I482-L592 CarbonylContact C-O 3.51Å; I482-L592 VanDerWaalsContact CA-O 3.26Å; I482-L592 WeakPolarHBondContact CA-O 3.34Å; I482-Y594 HydrophobicContact CG2-CD1 3.58Å; I482-Y594 HydrophobicContact CG2-CE1 3.85Å; I482-Y594 HydrophobicContact CG2-CG 4.33Å; I482-A597 HydrophobicContact CD1-CB 4Å; I482-A597 HydrophobicContact CG1-CB 4.16Å; I482-A597 HydrophobicContact CG2-CB 3.85Å; I482-L614 HydrophobicContact CD1-CD2 3.6Å; I482-L614 HydrophobicContact CG1-CD2 4.42Å; I482-L666 HydrophobicContact CD1-CD2 4.17Å; I482-V667 HydrophobicContact CB-CG2 3.77Å; I482-V667 HydrophobicContact CD1-CG2 4.14Å; I482-V667 HydrophobicContact CG1-CG2 4.48Å; I482-V667 HydrophobicContact CG2-CG2 4.11Å |
| 483 | D | 93.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 167 | -166.9 | -61.2 | -84.9 | 0 | 0 | 0 | 111.6 | S481 C487 I490 L592 T593 Y594 | S481-D483 WeakPolarHBondContact CB-OD2 3.4Å; S481-D483 PolarHBondContact OG-OD2 3.24Å; D483-C487 HydrophobicContact CB-CB 3.78Å; D483-I490 WeakPolarHBondContact OD2-CG2 3.39Å; D483-L592 PolarHBondContact N-O 3.27Å; D483-T593 VanDerWaalsContact O-CA 3.3Å; D483-T593 WeakPolarHBondContact O-CA 3.39Å; D483-Y594 PolarHBondContact O-N 2.69Å |
| 484 | P | 88.5 | Confident | 94.1 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 25% | 0.253 | 18% | 0.179 | S | C | . | . | trans | -59.4 | 153 | 166.3 | -19.4 | 30 | 0 | 0 | 0 | 112.2 | G486 C487 Y594 | P484-G486 PolarHBondContact O-N 2.95Å; P484-C487 VanDerWaalsContact O-CB 3.23Å; P484-C487 WeakPolarHBondContact O-CB 3.15Å; P484-C487 PolarHBondContact O-N 3.09Å; P484-Y594 HydrophobicContact CB-CE2 4.42Å; P484-Y594 HydrophobicContact CG-CE2 3.91Å | ||
| 485 | P | 84.3 | Confident | 94.1 | Very high | 91 Ų | 91 | 29.3 Ų | 29.3 | 59% | 0.591 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 136.1 | 169.3 | -23.1 | 33 | 0 | 0 | 0 | 111.7 | C487 T593 | P485-C487 VanDerWaalsContact C-N 3.28Å; P485-C487 PolarHBondContact O-N 3.33Å; P485-T593 HydrophobicContact CB-CG2 4.22Å; P485-T593 HydrophobicContact CG-CG2 4.03Å |
| 486 | G | 84.3 | Confident | 94.2 | Very high | 79 Ų | 79 | 26.3 Ų | 26.3 | 81% | 0.814 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 4.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P484 T488 | P484-G486 PolarHBondContact O-N 2.95Å; G486-T488 PolarHBondContact O-N 3.23Å |
| 487 | C | 86 | Confident | 94.2 | Very high | 39 Ų | 39 | 22.6 Ų | 22.6 | 26% | 0.264 | 15% | 0.154 | S | C | . | . | trans | -64.8 | 124.9 | 177.8 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | D483 P484 P485 | D483-C487 HydrophobicContact CB-CB 3.78Å; P484-C487 VanDerWaalsContact O-CB 3.23Å; P484-C487 WeakPolarHBondContact O-CB 3.15Å; P484-C487 PolarHBondContact O-N 3.09Å; P485-C487 VanDerWaalsContact C-N 3.28Å; P485-C487 PolarHBondContact O-N 3.33Å | ||
| 488 | T | 87.5 | Confident | 94.2 | Very high | 63 Ų | 63 | 25.1 Ų | 25.1 | 39% | 0.387 | 17% | 0.172 | S | C | . | . | trans | -107.2 | -23.5 | 179 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | G486 I490 R540 S550 S554 | G486-T488 PolarHBondContact O-N 3.23Å; T488-I490 PolarHBondContact O-N 2.83Å; T488-R540 PolarHBondContact OG1-NH1 3.49Å; T488-S550 PolarHBondContact OG1-OG 3.32Å; T488-S554 WeakPolarHBondContact O-CB 3.44Å; T488-S554 PolarHBondContact O-OG 2.63Å | ||
| 489 | D | 89.4 | Confident | 94.2 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | trans | -93.8 | 64.6 | 177.4 | 51.5 | -39.3 | 0 | 0 | 0 | 111.6 | D491 Y535 R540 S549 I786 | D489-D491 PolarHBondContact O-N 3.05Å; D489-D491 VanDerWaalsContact O-N 3.08Å; D489-Y535 PolarHBondContact OD2-OH 3.11Å; D489-R540 IonicContact OD1-CZ 3.23Å; D489-R540 IonicContact OD1-NH1 3.49Å; D489-R540 PolarHBondContact OD1-NH1 2.84Å; D489-R540 IonicContact OD2-NH1 3.09Å; D489-S549 WeakPolarHBondContact CA-O 3.48Å; D489-I786 HydrophobicContact CB-CB 4.46Å; D489-I786 HydrophobicContact CB-CD1 4.47Å; D489-I786 HydrophobicContact CB-CG2 3.71Å | ||
| 490 | I | 94.7 | Very high | 94 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | trans | -74.9 | 99.9 | -177.6 | -56.8 | 172.7 | 0 | 0 | 0 | 109.5 | S481 D483 T488 S554 L555 A591 | S481-I490 VanDerWaalsContact CB-CG2 3.44Å; S481-I490 WeakPolarHBondContact OG-CG2 3.21Å; D483-I490 WeakPolarHBondContact OD2-CG2 3.39Å; T488-I490 PolarHBondContact O-N 2.83Å; I490-S554 PolarHBondContact N-OG 3.17Å; I490-L555 HydrophobicContact CG2-CB 3.96Å; I490-L555 PolarHBondContact O-N 2.88Å; I490-A591 HydrophobicContact CD1-CB 4.07Å | ||
| 491 | D | 96.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | trans | -79.2 | -39.2 | -177.6 | -79.6 | -64.9 | 0 | 0 | 0 | 113.3 | D489 I510 A511 L555 T783 S784 P785 I786 R787 | D489-D491 PolarHBondContact O-N 3.05Å; D489-D491 VanDerWaalsContact O-N 3.08Å; D491-I510 CarbonylContact O-C 3.47Å; D491-I510 WeakPolarHBondContact O-CA 3.31Å; D491-A511 PolarHBondContact O-N 2.61Å; D491-L555 WeakPolarHBondContact O-CD1 3.46Å; D491-T783 WeakPolarHBondContact CB-O 3.02Å; D491-S784 WeakPolarHBondContact OD1-CA 3.16Å; D491-S784 VanDerWaalsContact OD2-CA 3.31Å; D491-S784 WeakPolarHBondContact OD2-CA 3.22Å; D491-S784 WeakPolarHBondContact OD2-CB 3.41Å; D491-P785 WeakPolarHBondContact OD1-CD 3.45Å; D491-I786 WeakPolarHBondContact OD1-CB 3.44Å; D491-I786 WeakPolarHBondContact OD1-CG1 3.34Å; D491-I786 PolarHBondContact OD1-N 2.87Å; D491-R787 IonicContact OD2-NE 3.69Å; D491-R787 PolarHBondContact OD2-NE 3.1Å | ||
| 492 | D | 97.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.7 | -165.9 | 68 | -92.5 | 0 | 0 | 0 | 114.2 | S481 H509 I510 M671 | S481-D492 WeakPolarHBondContact CB-O 3.39Å; D492-H509 CarbonylContact C-O 3.6Å; D492-H509 WeakPolarHBondContact CA-O 3.42Å; D492-I510 HydrophobicContact CB-CD1 3.43Å; D492-I510 VanDerWaalsContact CB-CD1 3.43Å; D492-M671 HydrophobicContact CB-CE 3.83Å; D492-M671 HydrophobicContact CB-SD 3.73Å; D492-M671 VanDerWaalsContact OD2-CE 3.22Å; D492-M671 WeakPolarHBondContact OD2-CE 3.5Å |
| 493 | A | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I479 C480 H509 L555 I586 | I479-A493 HydrophobicContact CG2-CB 3.45Å; I479-A493 VanDerWaalsContact CG2-CB 3.45Å; C480-A493 CarbonylContact O-C 3.55Å; C480-A493 VanDerWaalsContact O-CA 3.3Å; C480-A493 WeakPolarHBondContact O-CA 3.3Å; A493-H509 HydrophobicContact CB-CB 4.47Å; A493-H509 PolarHBondContact N-O 2.93Å; A493-H509 PolarHBondContact O-CD2 3.42Å; A493-H509 PolarHBondContact O-N 3.49Å; A493-L555 HydrophobicContact CB-CD1 4.01Å; A493-I586 HydrophobicContact CB-CD1 4.3Å |
| 494 | L | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.3 | -167 | -62.7 | 163.5 | 0 | 0 | 0 | 111.4 | I479 C480 G507 V508 L617 L666 V667 F670 M671 | I479-L494 WeakPolarHBondContact CA-O 3.38Å; C480-L494 PolarHBondContact N-O 2.62Å; C480-L494 PolarHBondContact O-N 3.42Å; L494-G507 WeakPolarHBondContact CA-O 3.48Å; L494-V508 HydrophobicContact CD2-CB 4.28Å; L494-V508 HydrophobicContact CD2-CG2 3.42Å; L494-V508 VanDerWaalsContact CD2-CG2 3.42Å; L494-L617 HydrophobicContact CB-CD1 3.97Å; L494-L666 HydrophobicContact CD1-CD2 3.89Å; L494-V667 HydrophobicContact CD1-CG2 4.33Å; L494-F670 HydrophobicContact CD2-CB 3.86Å; L494-F670 HydrophobicContact CD2-CG 4.34Å; L494-M671 HydrophobicContact CD2-CE 3.76Å; L494-M671 HydrophobicContact CG-CE 4.33Å |
| 495 | H | 98.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.6 | 162 | 79.4 | -95.7 | 0 | 0 | 0 | 111.7 | V478 I479 E505 V506 G507 H509 | V478-H495 WeakPolarHBondContact O-CB 3.12Å; I479-H495 HydrophobicContact CG1-CB 4.01Å; H495-E505 IonicContact NE2-OE1 2.71Å; H495-V506 WeakPolarHBondContact O-CA 3.21Å; H495-G507 WeakPolarHBondContact CE1-CA 3.21Å; H495-G507 PolarHBondContact CE1-N 3.47Å; H495-G507 VanDerWaalsContact CE1-N 3.34Å; H495-G507 PolarHBondContact N-O 3.34Å; H495-G507 PolarHBondContact NE2-N 2.9Å; H495-G507 PolarHBondContact O-N 3.09Å; H495-H509 AromaticContact CE1-CE1 3.78Å; H495-H509 AromaticContact CE1-NE2 3.55Å; H495-H509 AromaticContact CG-NE2 3.92Å; H495-H509 AromaticContact ND1-CD2 3.99Å; H495-H509 AromaticContact ND1-CE1 3.47Å; H495-H509 PolarHBondContact ND1-CE1 3.26Å; H495-H509 AromaticContact ND1-NE2 2.8Å; H495-H509 PolarHBondContact ND1-NE2 3.24Å |
| 496 | C | 98.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 122.2 | 166.4 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | E505 V506 S613 N616 L617 | C496-E505 CarbonylContact C-O 3.49Å; C496-E505 VanDerWaalsContact CA-O 3.28Å; C496-E505 WeakPolarHBondContact CA-O 3.12Å; C496-V506 HydrophobicContact CB-CG2 4.27Å; C496-S613 PolarHBondContact N-OG 2.81Å; C496-N616 HydrophobicContact CB-CB 4.3Å; C496-N616 VanDerWaalsContact SG-CB 3.53Å; C496-L617 HydrophobicContact CB-CD1 4.43Å; C496-L617 HydrophobicContact CB-CD2 3.75Å; C496-L617 HydrophobicContact CB-CG 3.63Å |
| 497 | V | 97.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 35 Ų | 35 | 33% | 0.333 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.5 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | L477 L499 F504 E505 | L477-V497 HydrophobicContact CD2-CG2 4.44Å; V497-L499 PolarHBondContact O-N 2.98Å; V497-F504 WeakPolarHBondContact O-CA 3.32Å; V497-E505 HydrophobicContact CB-CB 4.49Å; V497-E505 PolarHBondContact N-O 3Å; V497-E505 PolarHBondContact O-N 2.85Å |
| 498 | P | 96.5 | Very high | 96.5 | Very high | 72 Ų | 72 | 33.1 Ų | 33.1 | 47% | 0.468 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 132.3 | 169.9 | -19 | 31.6 | 0 | 0 | 0 | 110.9 | F504 | P498-F504 HydrophobicContact CB-CD1 4.39Å; P498-F504 HydrophobicContact CB-CE1 4.33Å; P498-F504 HydrophobicContact CG-CD1 4.41Å; P498-F504 HydrophobicContact CG-CE1 4.31Å |
| 499 | L | 97.2 | Very high | 97.1 | Very high | 47 Ų | 47 | 30.1 Ų | 30.1 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | trans | -95.9 | 154.2 | 178.7 | -65.2 | 175.9 | 0 | 0 | 0 | 111.2 | V497 N501 G502 H503 E505 E569 | V497-L499 PolarHBondContact O-N 2.98Å; L499-N501 WeakPolarHBondContact CB-OD1 3.4Å; L499-N501 PolarHBondContact O-N 2.88Å; L499-N501 VanDerWaalsContact O-N 3.1Å; L499-G502 PolarHBondContact O-N 2.83Å; L499-H503 HydrophobicContact CD1-CB 4.37Å; L499-H503 PolarHBondContact N-O 3.11Å; L499-E505 HydrophobicContact CD1-CB 4.27Å; L499-E505 HydrophobicContact CD2-CB 4.08Å; L499-E505 HydrophobicContact CG-CB 4.25Å; L499-E569 HydrophobicContact CD1-CG 3.91Å | ||
| 500 | P | 95.5 | Very high | 97.5 | Very high | 143 Ų | 143 | 29.6 Ų | 29.6 | 93% | 0.929 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.9 | -179.8 | -25.5 | 34.8 | 0 | 0 | 0 | 114.7 | G502 | P500-G502 PolarHBondContact O-N 3.13Š|
| 501 | N | 95.1 | Very high | 97.7 | Very high | 89 Ų | 89 | 29 Ų | 29 | 48% | 0.476 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -3.3 | 176.7 | 64.1 | 0.8 | 0 | 0 | 0 | 113.7 | L499 H503 E569 | L499-N501 WeakPolarHBondContact CB-OD1 3.4Å; L499-N501 PolarHBondContact O-N 2.88Å; L499-N501 VanDerWaalsContact O-N 3.1Å; N501-H503 PolarHBondContact ND2-ND1 3.21Å; N501-H503 VanDerWaalsContact OD1-CB 3.31Å; N501-H503 WeakPolarHBondContact OD1-CB 3.46Å; N501-H503 PolarHBondContact OD1-N 3.07Å; N501-E569 PolarHBondContact ND2-OE1 2.81Å |
| 502 | G | 95 | Very high | 97.7 | Very high | 49 Ų | 49 | 29 Ų | 29 | 51% | 0.505 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 86.5 | 5.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L499 P500 | L499-G502 PolarHBondContact O-N 2.83Å; P500-G502 PolarHBondContact O-N 3.13Å |
| 503 | H | 98.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 28.3 Ų | 28.3 | 25% | 0.25 | 17% | 0.172 | C | C | . | . | trans | -89.3 | -174.9 | 169.1 | -56.6 | 163.8 | 0 | 0 | 0 | 110.6 | L499 N501 E569 I570 L577 | L499-H503 HydrophobicContact CD1-CB 4.37Å; L499-H503 PolarHBondContact N-O 3.11Å; N501-H503 PolarHBondContact ND2-ND1 3.21Å; N501-H503 VanDerWaalsContact OD1-CB 3.31Å; N501-H503 WeakPolarHBondContact OD1-CB 3.46Å; N501-H503 PolarHBondContact OD1-N 3.07Å; H503-E569 HydrophobicContact CB-CG 4.07Å; H503-E569 IonicContact CE1-OE1 3.83Å; H503-E569 IonicContact CG-OE1 3.62Å; H503-E569 IonicContact ND1-OE1 2.77Å; H503-E569 PolarHBondContact ND1-OE1 2.95Å; H503-I570 WeakPolarHBondContact CB-O 3.47Å; H503-L577 WeakPolarHBondContact CE1-CD1 3.48Å; H503-L577 VanDerWaalsContact ND1-CD1 3.28Å; H503-L577 WeakPolarHBondContact ND1-CD1 3.33Å | ||
| 504 | F | 98.5 | Very high | 97.5 | Very high | 24 Ų | 24 | 29.1 Ų | 29.1 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.2 | 178.4 | -58.8 | -87.8 | 0 | 0 | 0 | 109.6 | V497 P498 V506 E569 I570 N616 M619 L620 | V497-F504 WeakPolarHBondContact O-CA 3.32Å; P498-F504 HydrophobicContact CB-CD1 4.39Å; P498-F504 HydrophobicContact CB-CE1 4.33Å; P498-F504 HydrophobicContact CG-CD1 4.41Å; P498-F504 HydrophobicContact CG-CE1 4.31Å; F504-V506 HydrophobicContact CB-CG2 4.09Å; F504-E569 WeakPolarHBondContact O-CA 3.44Å; F504-I570 PolarHBondContact N-O 2.8Å; F504-I570 PolarHBondContact O-N 2.7Å; F504-N616 HydrophobicContact CD1-CB 4.32Å; F504-N616 HydrophobicContact CE1-CB 4.15Å; F504-M619 HydrophobicContact CE1-CE 4.49Å; F504-M619 HydrophobicContact CE2-CE 3.97Å; F504-M619 HydrophobicContact CZ-CE 3.78Å; F504-L620 HydrophobicContact CB-CD1 4.2Å; F504-L620 HydrophobicContact CD2-CD1 4.23Å; F504-L620 HydrophobicContact CD2-CD2 4.37Å; F504-L620 HydrophobicContact CG-CD1 4.17Å |
| 505 | E | 98.6 | Very high | 97.3 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 24% | 0.243 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125 | 158.1 | -174.8 | 175.2 | 91.6 | 0 | 0 | 107.4 | H495 C496 V497 L499 I567 W568 | H495-E505 IonicContact NE2-OE1 2.71Å; C496-E505 CarbonylContact C-O 3.49Å; C496-E505 VanDerWaalsContact CA-O 3.28Å; C496-E505 WeakPolarHBondContact CA-O 3.12Å; V497-E505 HydrophobicContact CB-CB 4.49Å; V497-E505 PolarHBondContact N-O 3Å; V497-E505 PolarHBondContact O-N 2.85Å; L499-E505 HydrophobicContact CD1-CB 4.27Å; L499-E505 HydrophobicContact CD2-CB 4.08Å; L499-E505 HydrophobicContact CG-CB 4.25Å; E505-I567 HydrophobicContact CG-CG2 3.62Å; E505-W568 WeakPolarHBondContact CA-O 3.48Å |
| 506 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.9 | 177.7 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | H495 C496 F504 I567 W568 I570 L617 L620 F670 | H495-V506 WeakPolarHBondContact O-CA 3.21Å; C496-V506 HydrophobicContact CB-CG2 4.27Å; F504-V506 HydrophobicContact CB-CG2 4.09Å; V506-I567 CarbonylContact O-C 3.58Å; V506-I567 WeakPolarHBondContact O-CA 3.26Å; V506-W568 HydrophobicContact CG1-CE3 4.39Å; V506-W568 PolarHBondContact N-O 3.31Å; V506-W568 PolarHBondContact O-N 3.37Å; V506-I570 HydrophobicContact CB-CD1 3.95Å; V506-I570 HydrophobicContact CB-CG1 4.49Å; V506-I570 HydrophobicContact CG1-CD1 4.45Å; V506-I570 HydrophobicContact CG2-CB 4.48Å; V506-I570 HydrophobicContact CG2-CD1 3.95Å; V506-I570 HydrophobicContact CG2-CG1 4.36Å; V506-L617 HydrophobicContact CG1-CD2 3.92Å; V506-L620 HydrophobicContact CG2-CD1 3.87Å; V506-F670 HydrophobicContact CG1-CD1 3.96Å; V506-F670 HydrophobicContact CG1-CE1 3.59Å; V506-F670 HydrophobicContact CG1-CZ 4.2Å |
| 507 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L494 H495 V566 | L494-G507 WeakPolarHBondContact CA-O 3.48Å; H495-G507 WeakPolarHBondContact CE1-CA 3.21Å; H495-G507 PolarHBondContact CE1-N 3.47Å; H495-G507 VanDerWaalsContact CE1-N 3.34Å; H495-G507 PolarHBondContact N-O 3.34Å; H495-G507 PolarHBondContact NE2-N 2.9Å; H495-G507 PolarHBondContact O-N 3.09Å; G507-V566 WeakPolarHBondContact CA-O 3.32Å |
| 508 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.7 | 162.2 | 170 | 0 | 0 | 0 | 0 | 107.2 | L494 I510 S565 V566 W568 F670 M671 A674 | L494-V508 HydrophobicContact CD2-CB 4.28Å; L494-V508 HydrophobicContact CD2-CG2 3.42Å; L494-V508 VanDerWaalsContact CD2-CG2 3.42Å; V508-I510 HydrophobicContact CG1-CD1 3.46Å; V508-I510 VanDerWaalsContact CG1-CD1 3.46Å; V508-I510 HydrophobicContact CG1-CG1 3.97Å; V508-S565 CarbonylContact O-C 3.41Å; V508-S565 WeakPolarHBondContact O-CA 3.23Å; V508-V566 PolarHBondContact N-O 2.97Å; V508-V566 PolarHBondContact O-N 3.17Å; V508-W568 HydrophobicContact CB-CH2 4.05Å; V508-W568 HydrophobicContact CB-CZ3 3.88Å; V508-W568 HydrophobicContact CG2-CH2 3.82Å; V508-W568 HydrophobicContact CG2-CZ3 3.54Å; V508-F670 HydrophobicContact CG2-CB 3.95Å; V508-M671 HydrophobicContact CG1-CE 3.81Å; V508-M671 HydrophobicContact CG1-SD 4.25Å; V508-M671 HydrophobicContact CG2-CE 4.13Å; V508-A674 HydrophobicContact CB-CB 4.34Å; V508-A674 HydrophobicContact CG1-CB 4.04Å; V508-A674 HydrophobicContact CG2-CB 4.43Å |
| 509 | H | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113.1 | -177.7 | -48.2 | -78.2 | 0 | 0 | 0 | 108.8 | I479 D492 A493 H495 L555 A563 S565 I586 | I479-H509 WeakPolarHBondContact CD1-NE2 3.31Å; D492-H509 CarbonylContact C-O 3.6Å; D492-H509 WeakPolarHBondContact CA-O 3.42Å; A493-H509 HydrophobicContact CB-CB 4.47Å; A493-H509 PolarHBondContact N-O 2.93Å; A493-H509 PolarHBondContact O-CD2 3.42Å; A493-H509 PolarHBondContact O-N 3.49Å; H495-H509 AromaticContact CE1-CE1 3.78Å; H495-H509 AromaticContact CE1-NE2 3.55Å; H495-H509 AromaticContact CG-NE2 3.92Å; H495-H509 AromaticContact ND1-CD2 3.99Å; H495-H509 AromaticContact ND1-CE1 3.47Å; H495-H509 PolarHBondContact ND1-CE1 3.26Å; H495-H509 AromaticContact ND1-NE2 2.8Å; H495-H509 PolarHBondContact ND1-NE2 3.24Å; H509-L555 WeakPolarHBondContact O-CD1 3.35Å; H509-A563 HydrophobicContact CB-CB 4.06Å; H509-S565 PolarHBondContact ND1-OG 2.99Å; H509-I586 HydrophobicContact CB-CD1 3.89Å; H509-I586 HydrophobicContact CB-CG2 4.25Å |
| 510 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.3 | -176.9 | -53.8 | -55.5 | 0 | 0 | 0 | 110.2 | D491 D492 V508 D512 A563 F564 M671 F782 T783 P785 | D491-I510 CarbonylContact O-C 3.47Å; D491-I510 WeakPolarHBondContact O-CA 3.31Å; D492-I510 HydrophobicContact CB-CD1 3.43Å; D492-I510 VanDerWaalsContact CB-CD1 3.43Å; V508-I510 HydrophobicContact CG1-CD1 3.46Å; V508-I510 VanDerWaalsContact CG1-CD1 3.46Å; V508-I510 HydrophobicContact CG1-CG1 3.97Å; I510-D512 PolarHBondContact O-N 2.63Å; I510-A563 CarbonylContact O-C 3.58Å; I510-A563 WeakPolarHBondContact O-CA 3.41Å; I510-A563 WeakPolarHBondContact O-CB 3.48Å; I510-F564 PolarHBondContact N-O 2.98Å; I510-F564 PolarHBondContact O-N 3.37Å; I510-M671 HydrophobicContact CD1-SD 4.19Å; I510-F782 HydrophobicContact CB-CE1 4.08Å; I510-F782 HydrophobicContact CB-CZ 4.2Å; I510-F782 HydrophobicContact CG1-CD1 3.85Å; I510-F782 HydrophobicContact CG1-CE1 3.35Å; I510-F782 HydrophobicContact CG1-CZ 3.96Å; I510-F782 WeakPolarHBondContact CG2-O 3.36Å; I510-T783 HydrophobicContact CD1-CG2 3.98Å; I510-T783 HydrophobicContact CG1-CG2 4.38Å; I510-P785 HydrophobicContact CG2-CG 3.69Å |
| 511 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -45.8 | 126.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D491 V513 C553 L555 P785 I786 H795 | D491-A511 PolarHBondContact O-N 2.61Å; A511-V513 HydrophobicContact CB-CG2 4.02Å; A511-V513 PolarHBondContact O-N 2.78Å; A511-C553 HydrophobicContact CB-CB 4.33Å; A511-C553 WeakPolarHBondContact CB-O 3.44Å; A511-L555 HydrophobicContact CB-CD2 4.35Å; A511-L555 HydrophobicContact CB-CG 4.31Å; A511-P785 HydrophobicContact CB-CG 4.47Å; A511-P785 VanDerWaalsContact O-CG 3.22Å; A511-P785 WeakPolarHBondContact O-CG 3.37Å; A511-I786 HydrophobicContact CB-CD1 4.12Å; A511-I786 HydrophobicContact CB-CG1 4.19Å; A511-H795 PolarHBondContact O-CE1 3.28Å; A511-H795 VanDerWaalsContact O-CE1 3.29Å |
| 512 | D | 97.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | trans | -85.1 | 63.1 | 179.5 | -172.2 | 11.6 | 0 | 0 | 0 | 112.5 | R471 I510 S514 H515 F562 K583 | R471-D512 IonicContact CZ-OD2 3.16Å; R471-D512 IonicContact NH1-OD2 2.72Å; R471-D512 PolarHBondContact NH1-OD2 3.43Å; R471-D512 IonicContact NH2-OD2 2.74Å; R471-D512 PolarHBondContact NH2-OD2 2.98Å; I510-D512 PolarHBondContact O-N 2.63Å; D512-S514 PolarHBondContact O-N 2.83Å; D512-S514 PolarHBondContact OD1-OG 2.87Å; D512-H515 WeakPolarHBondContact O-CB 3.23Å; D512-H515 PolarHBondContact O-N 3.03Å; D512-H515 PolarHBondContact OD1-N 2.73Å; D512-F562 HydrophobicContact CB-CB 3.92Å; D512-F562 PolarHBondContact N-O 2.7Å; D512-K583 IonicContact OD1-NZ 3.7Å; D512-K583 PolarHBondContact OD1-NZ 3.46Å; D512-K583 WeakPolarHBondContact OD2-CD 3.26Å; D512-K583 IonicContact OD2-NZ 2.7Å; D512-K583 PolarHBondContact OD2-NZ 3.06Å | ||
| 513 | V | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.7 | -30.4 | -179.4 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | A511 H515 F516 V517 L544 C553 P785 I786 L792 | A511-V513 HydrophobicContact CB-CG2 4.02Å; A511-V513 PolarHBondContact O-N 2.78Å; V513-H515 PolarHBondContact O-N 2.85Å; V513-H515 VanDerWaalsContact O-N 3.1Å; V513-F516 PolarHBondContact O-N 2.73Å; V513-V517 HydrophobicContact CG1-CG2 3.9Å; V513-V517 PolarHBondContact O-N 2.78Å; V513-L544 HydrophobicContact CG1-CD1 3.4Å; V513-L544 VanDerWaalsContact CG1-CD1 3.4Å; V513-C553 HydrophobicContact CG2-CB 3.8Å; V513-P785 HydrophobicContact CB-CB 4.03Å; V513-P785 HydrophobicContact CB-CG 4.33Å; V513-P785 HydrophobicContact CG2-CB 3.8Å; V513-P785 HydrophobicContact CG2-CG 3.67Å; V513-I786 HydrophobicContact CG2-CG1 3.72Å; V513-L792 HydrophobicContact CB-CD2 3.69Å; V513-L792 HydrophobicContact CG1-CD2 3.72Å; V513-L792 HydrophobicContact CG1-CG 4.42Å |
| 514 | S | 95.2 | Very high | 95.6 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 12% | 0.119 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -20.6 | 178.8 | 72.2 | 0 | 0 | 0 | 0 | 114.1 | D512 K583 | D512-S514 PolarHBondContact O-N 2.83Å; D512-S514 PolarHBondContact OD1-OG 2.87Å; S514-K583 PolarHBondContact OG-NZ 3.15Å |
| 515 | H | 94.3 | Very high | 95.4 | Very high | 76 Ų | 76 | 28.8 Ų | 28.8 | 35% | 0.352 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.2 | -38.6 | 173.2 | 177.3 | 77.9 | 0 | 0 | 0 | 112.4 | R471 D512 V513 F562 | R471-H515 PolarHBondContact NH2-ND1 2.81Å; D512-H515 WeakPolarHBondContact O-CB 3.23Å; D512-H515 PolarHBondContact O-N 3.03Å; D512-H515 PolarHBondContact OD1-N 2.73Å; V513-H515 PolarHBondContact O-N 2.85Å; V513-H515 VanDerWaalsContact O-N 3.1Å; H515-F562 AromaticContact CD2-CD2 3.71Å; H515-F562 AromaticContact CD2-CE2 3.75Å; H515-F562 AromaticContact NE2-CE2 3.54Å |
| 516 | F | 95.6 | Very high | 95.2 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -87.5 | -33.6 | -177.7 | -59.4 | -79.8 | 0 | 0 | 0 | 112.2 | P457 W461 V513 I518 M523 L548 L552 C553 F562 | P457-F516 HydrophobicContact CG-CD1 4.16Å; P457-F516 HydrophobicContact CG-CE1 4.38Å; W461-F516 HydrophobicContact CD2-CE1 4.41Å; W461-F516 AromaticContact CE2-CE1 3.73Å; W461-F516 AromaticContact CE2-CZ 3.86Å; W461-F516 HydrophobicContact CH2-CZ 4.09Å; W461-F516 AromaticContact CZ2-CE1 3.93Å; W461-F516 HydrophobicContact CZ2-CE1 3.93Å; W461-F516 AromaticContact CZ2-CZ 3.61Å; W461-F516 HydrophobicContact CZ2-CZ 3.61Å; W461-F516 AromaticContact NE1-CE1 3.66Å; V513-F516 PolarHBondContact O-N 2.73Å; F516-I518 PolarHBondContact O-N 2.91Å; F516-M523 WeakPolarHBondContact O-CE 3.31Å; F516-L548 HydrophobicContact CB-CD1 4.01Å; F516-L548 HydrophobicContact CB-CD2 3.84Å; F516-L548 HydrophobicContact CD1-CD2 4.17Å; F516-L548 HydrophobicContact CG-CD2 3.93Å; F516-L552 HydrophobicContact CE1-CD1 4.34Å; F516-L552 HydrophobicContact CZ-CB 4.42Å; F516-C553 VanDerWaalsContact CD2-SG 3.52Å; F516-F562 HydrophobicContact CE2-CD2 4.47Å; F516-F562 HydrophobicContact CZ-CD2 4.26Å |
| 517 | V | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -92.3 | 84.9 | 179 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | V513 M523 D524 L544 L548 L792 R796 | V513-V517 HydrophobicContact CG1-CG2 3.9Å; V513-V517 PolarHBondContact O-N 2.78Å; V517-M523 HydrophobicContact CB-CE 4.49Å; V517-M523 HydrophobicContact CG2-CE 4.11Å; V517-D524 HydrophobicContact CG1-CB 3.98Å; V517-L544 HydrophobicContact CG2-CD1 4.23Å; V517-L544 HydrophobicContact CG2-CD2 3.76Å; V517-L548 HydrophobicContact CG2-CD1 4.2Å; V517-L792 HydrophobicContact CB-CD1 4.41Å; V517-L792 HydrophobicContact CB-CD2 4.32Å; V517-L792 HydrophobicContact CG1-CD1 4.34Å; V517-L792 HydrophobicContact CG2-CD1 4.39Å; V517-R796 PolarHBondContact O-NH2 3.47Å |
| 518 | I | 92.9 | Very high | 95 | Very high | 102 Ų | 102 | 28.1 Ų | 28.1 | 52% | 0.523 | 16% | 0.164 | S | C | . | . | trans | -71.5 | 130 | -177.8 | -58 | 173.2 | 0 | 0 | 0 | 110.4 | F516 T521 D524 | F516-I518 PolarHBondContact O-N 2.91Å; I518-T521 HydrophobicContact CB-CG2 3.79Å; I518-T521 HydrophobicContact CG2-CG2 4.06Å; I518-T521 WeakPolarHBondContact O-CB 3.5Å; I518-T521 WeakPolarHBondContact O-CG2 3.37Å; I518-T521 PolarHBondContact O-N 3.41Å; I518-T521 PolarHBondContact O-OG1 3.44Å; I518-D524 VanDerWaalsContact O-CB 3.28Å; I518-D524 WeakPolarHBondContact O-CB 3.49Å | ||
| 519 | P | 91.2 | Very high | 94.8 | Very high | 62 Ų | 62 | 33 Ų | 33 | 40% | 0.403 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 138.8 | 178.7 | -26.2 | 33 | 0 | 0 | 0 | 114 | T521 D524 | P519-T521 PolarHBondContact O-N 3.47Å; P519-D524 WeakPolarHBondContact CA-OD2 3.22Å |
| 520 | G | 87.8 | Confident | 94.7 | Very high | 47 Ų | 47 | 33.6 Ų | 33.6 | 49% | 0.485 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -8.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D524 K525 | G520-D524 PolarHBondContact N-OD2 2.91Å; G520-K525 WeakPolarHBondContact O-CE 3.16Å |
| 521 | T | 91.6 | Very high | 94.6 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 24% | 0.239 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.2 | 168.1 | 173.8 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | I518 P519 M523 D524 K525 | I518-T521 HydrophobicContact CB-CG2 3.79Å; I518-T521 HydrophobicContact CG2-CG2 4.06Å; I518-T521 WeakPolarHBondContact O-CB 3.5Å; I518-T521 WeakPolarHBondContact O-CG2 3.37Å; I518-T521 PolarHBondContact O-N 3.41Å; I518-T521 PolarHBondContact O-OG1 3.44Å; P519-T521 PolarHBondContact O-N 3.47Å; T521-M523 VanDerWaalsContact C-N 3.33Å; T521-M523 PolarHBondContact O-N 3.21Å; T521-D524 PolarHBondContact O-N 2.85Å; T521-D524 PolarHBondContact OG1-N 3.19Å; T521-K525 WeakPolarHBondContact O-CG 3.27Å; T521-K525 PolarHBondContact O-N 2.77Å; T521-K525 VanDerWaalsContact O-N 3.11Å |
| 522 | A | 91.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 31% | 0.314 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N451 I452 D524 K525 E526 | N451-A522 HydrophobicContact CB-CB 4.29Å; I452-A522 HydrophobicContact CG1-CB 4.16Å; A522-D524 PolarHBondContact O-N 2.82Å; A522-K525 PolarHBondContact O-N 3.42Å; A522-E526 WeakPolarHBondContact O-CB 3.48Å; A522-E526 PolarHBondContact O-N 2.78Å |
| 523 | M | 94.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.7 | -176.6 | 165.7 | 64.4 | 0 | 0 | 113 | I452 C455 L456 F516 V517 T521 A527 L544 P545 L548 | I452-M523 HydrophobicContact CG2-CB 4.07Å; I452-M523 HydrophobicContact CG2-CG 4.26Å; C455-M523 HydrophobicContact CB-CB 3.8Å; C455-M523 HydrophobicContact CB-CE 4.01Å; C455-M523 HydrophobicContact CB-SD 4.39Å; L456-M523 HydrophobicContact CD2-SD 4.15Å; F516-M523 WeakPolarHBondContact O-CE 3.31Å; V517-M523 HydrophobicContact CB-CE 4.49Å; V517-M523 HydrophobicContact CG2-CE 4.11Å; T521-M523 VanDerWaalsContact C-N 3.33Å; T521-M523 PolarHBondContact O-N 3.21Å; M523-A527 VanDerWaalsContact O-CB 3.32Å; M523-A527 WeakPolarHBondContact O-CB 3.48Å; M523-A527 PolarHBondContact O-N 2.85Å; M523-L544 HydrophobicContact CG-CD2 4.44Å; M523-P545 HydrophobicContact SD-CG 4.32Å; M523-L548 HydrophobicContact CE-CD1 3.73Å; M523-L548 HydrophobicContact SD-CD1 3.53Å; M523-L548 VanDerWaalsContact SD-CD1 3.53Å |
| 524 | D | 95.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 176 | 176.5 | 51.2 | 0 | 0 | 0 | 112.5 | V517 I518 P519 G520 T521 A522 A527 A528 Y789 R796 | V517-D524 HydrophobicContact CG1-CB 3.98Å; I518-D524 VanDerWaalsContact O-CB 3.28Å; I518-D524 WeakPolarHBondContact O-CB 3.49Å; P519-D524 WeakPolarHBondContact CA-OD2 3.22Å; G520-D524 PolarHBondContact N-OD2 2.91Å; T521-D524 PolarHBondContact O-N 2.85Å; T521-D524 PolarHBondContact OG1-N 3.19Å; A522-D524 PolarHBondContact O-N 2.82Å; D524-A527 PolarHBondContact O-N 2.88Å; D524-A528 WeakPolarHBondContact O-CB 3.4Å; D524-A528 PolarHBondContact O-N 3.16Å; D524-Y789 VanDerWaalsContact OD1-CE2 3.29Å; D524-Y789 WeakPolarHBondContact OD1-CE2 3.49Å; D524-Y789 PolarHBondContact OD1-OH 2.76Å; D524-R796 IonicContact OD1-CZ 2.65Å; D524-R796 IonicContact OD1-NH1 3.37Å; D524-R796 PolarHBondContact OD1-NH1 3.33Å; D524-R796 IonicContact OD1-NH2 3.2Å; D524-R796 PolarHBondContact OD1-NH2 3.36Å; D524-R796 IonicContact OD2-NH1 3.44Å; D524-R796 IonicContact OD2-NH2 3.53Å |
| 525 | K | 93.8 | Very high | 94.1 | Very high | 135 Ų | 135 | 38.6 Ų | 38.6 | 59% | 0.587 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.7 | -42.4 | 177.2 | -69.4 | 173.1 | -175.8 | 169.8 | 0 | 111.5 | G520 T521 A522 A528 E529 | G520-K525 WeakPolarHBondContact O-CE 3.16Å; T521-K525 WeakPolarHBondContact O-CG 3.27Å; T521-K525 PolarHBondContact O-N 2.77Å; T521-K525 VanDerWaalsContact O-N 3.11Å; A522-K525 PolarHBondContact O-N 3.42Å; K525-A528 PolarHBondContact O-N 3Å; K525-E529 WeakPolarHBondContact O-CB 3.36Å; K525-E529 PolarHBondContact O-N 2.93Å |
| 526 | E | 95 | Very high | 94 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 175.2 | -177.7 | 63 | -158.1 | 0 | 0 | 111.5 | H446 F448 I452 A522 A528 E529 R530 | H446-E526 IonicContact CE1-OE1 3.7Å; H446-E526 IonicContact NE2-OE1 3.5Å; H446-E526 PolarHBondContact NE2-OE1 3.39Å; H446-E526 IonicContact NE2-OE2 2.77Å; F448-E526 HydrophobicContact CD1-CG 4.06Å; F448-E526 HydrophobicContact CE1-CG 3.97Å; I452-E526 HydrophobicContact CD1-CB 3.89Å; I452-E526 HydrophobicContact CD1-CG 3.76Å; I452-E526 HydrophobicContact CG1-CB 4.22Å; A522-E526 WeakPolarHBondContact O-CB 3.48Å; A522-E526 PolarHBondContact O-N 2.78Å; E526-A528 VanDerWaalsContact C-N 3.3Å; E526-A528 PolarHBondContact O-N 2.85Å; E526-E529 PolarHBondContact O-N 3.08Å; E526-E529 VanDerWaalsContact O-N 3.16Å; E526-R530 WeakPolarHBondContact O-CG 3.3Å; E526-R530 PolarHBondContact O-N 2.89Å; E526-R530 IonicContact OE1-CZ 3.28Å; E526-R530 VanDerWaalsContact OE1-CZ 3.32Å; E526-R530 IonicContact OE1-NE 2.77Å; E526-R530 PolarHBondContact OE1-NE 3.16Å; E526-R530 IonicContact OE1-NH2 2.85Å; E526-R530 PolarHBondContact OE1-NH2 3.39Å |
| 527 | A | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -37.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M523 D524 G531 M543 L544 Y789 | M523-A527 VanDerWaalsContact O-CB 3.32Å; M523-A527 WeakPolarHBondContact O-CB 3.48Å; M523-A527 PolarHBondContact O-N 2.85Å; D524-A527 PolarHBondContact O-N 2.88Å; A527-G531 WeakPolarHBondContact O-CA 3.46Å; A527-G531 PolarHBondContact O-N 2.89Å; A527-M543 HydrophobicContact CB-CG 4.14Å; A527-L544 HydrophobicContact CB-CD2 3.75Å; A527-Y789 VanDerWaalsContact C-CD2 3.41Å; A527-Y789 HydrophobicContact CB-CD2 3.7Å; A527-Y789 HydrophobicContact CB-CE2 3.99Å |
| 528 | A | 96.2 | Very high | 93 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D524 K525 E526 Y789 N824 | D524-A528 WeakPolarHBondContact O-CB 3.4Å; D524-A528 PolarHBondContact O-N 3.16Å; K525-A528 PolarHBondContact O-N 3Å; E526-A528 VanDerWaalsContact C-N 3.3Å; E526-A528 PolarHBondContact O-N 2.85Å; A528-Y789 HydrophobicContact CB-CD1 4.26Å; A528-Y789 HydrophobicContact CB-CD2 4.27Å; A528-Y789 HydrophobicContact CB-CE1 3.75Å; A528-Y789 HydrophobicContact CB-CE2 3.76Å; A528-Y789 HydrophobicContact CB-CG 4.49Å; A528-Y789 VanDerWaalsContact CB-CZ 3.46Å; A528-N824 PolarHBondContact O-ND2 3.23Å |
| 529 | E | 94.4 | Very high | 92.7 | Very high | 103 Ų | 103 | 38.1 Ų | 38.1 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.9 | -46.8 | 178.3 | 178.7 | 164 | -170.9 | 0 | 0 | 111.8 | K525 E526 N824 R828 | K525-E529 WeakPolarHBondContact O-CB 3.36Å; K525-E529 PolarHBondContact O-N 2.93Å; E526-E529 PolarHBondContact O-N 3.08Å; E526-E529 VanDerWaalsContact O-N 3.16Å; E529-N824 PolarHBondContact O-ND2 2.76Å; E529-R828 PolarHBondContact O-NE 3.45Å; E529-R828 PolarHBondContact O-NH2 3.04Å |
| 530 | R | 95.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 174.7 | -68.9 | -174 | -176.3 | -128 | -10.5 | 112.2 | P444 H446 E526 T532 D542 M543 R828 | P444-R530 HydrophobicContact CB-CG 4.27Å; P444-R530 HydrophobicContact CG-CG 4.47Å; H446-R530 PolarHBondContact O-NH2 3.36Å; E526-R530 WeakPolarHBondContact O-CG 3.3Å; E526-R530 PolarHBondContact O-N 2.89Å; E526-R530 IonicContact OE1-CZ 3.28Å; E526-R530 VanDerWaalsContact OE1-CZ 3.32Å; E526-R530 IonicContact OE1-NE 2.77Å; E526-R530 PolarHBondContact OE1-NE 3.16Å; E526-R530 IonicContact OE1-NH2 2.85Å; E526-R530 PolarHBondContact OE1-NH2 3.39Å; R530-T532 PolarHBondContact O-N 2.93Å; R530-D542 WeakPolarHBondContact CD-O 3.38Å; R530-D542 PolarHBondContact NH1-O 3.02Å; R530-M543 HydrophobicContact CB-CG 4.24Å; R530-R828 WeakPolarHBondContact O-CB 3.26Å; R530-R828 WeakPolarHBondContact O-CG 3.33Å |
| 531 | G | 96.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | trans | 72.1 | -37 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A527 Y789 | A527-G531 WeakPolarHBondContact O-CA 3.46Å; A527-G531 PolarHBondContact O-N 2.89Å; G531-Y789 WeakPolarHBondContact O-CB 3.41Å; G531-Y789 PolarHBondContact O-N 3.39Å | ||
| 532 | T | 96.1 | Very high | 93.1 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -153.8 | 148.2 | 179.3 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | R530 R787 A832 | R530-T532 PolarHBondContact O-N 2.93Å; T532-R787 CarbonylContact C-O 3.6Å; T532-R787 VanDerWaalsContact CA-O 3.29Å; T532-R787 WeakPolarHBondContact CA-O 3.37Å; T532-R787 PolarHBondContact OG1-O 3.36Å; T532-A832 HydrophobicContact CG2-CB 3.69Å |
| 533 | T | 96.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | trans | -66.6 | 141.6 | 164.8 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | Y535 R540 I541 M543 R787 | T533-Y535 HydrophobicContact CG2-CD2 4.35Å; T533-Y535 HydrophobicContact CG2-CE1 4.28Å; T533-Y535 HydrophobicContact CG2-CE2 3.78Å; T533-R540 HydrophobicContact CG2-CG 3.42Å; T533-R540 VanDerWaalsContact CG2-CG 3.42Å; T533-I541 VanDerWaalsContact CA-O 3.3Å; T533-I541 WeakPolarHBondContact CA-O 3.47Å; T533-I541 VanDerWaalsContact CG2-O 3.31Å; T533-I541 WeakPolarHBondContact CG2-O 2.92Å; T533-M543 PolarHBondContact OG1-N 3.41Å; T533-M543 VanDerWaalsContact OG1-N 3.15Å; T533-R787 PolarHBondContact N-O 3.43Å; T533-R787 WeakPolarHBondContact OG1-CA 3.5Å | ||
| 534 | V | 95.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.1 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | V443 L536 I541 A832 A835 | V443-V534 HydrophobicContact CG1-CB 4.11Å; V443-V534 HydrophobicContact CG1-CG1 4.43Å; V443-V534 HydrophobicContact CG1-CG2 3.57Å; V443-V534 HydrophobicContact CG2-CG1 4.49Å; V443-V534 HydrophobicContact CG2-CG2 4.22Å; V534-L536 HydrophobicContact CG1-CD2 4.05Å; V534-I541 HydrophobicContact CB-CB 4.31Å; V534-I541 PolarHBondContact N-O 3.32Å; V534-I541 PolarHBondContact O-N 2.79Å; V534-A832 HydrophobicContact CB-CB 4.4Å; V534-A832 HydrophobicContact CG1-CB 4.27Å; V534-A832 HydrophobicContact CG2-CB 3.64Å; V534-A835 HydrophobicContact CG1-CB 4.02Å |
| 535 | Y | 90.7 | Very high | 93.5 | Very high | 92 Ų | 92 | 33.9 Ų | 33.9 | 36% | 0.361 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.4 | 178 | -59.2 | -96.1 | 0 | 0 | 0 | 108.7 | D489 T533 R540 R787 | D489-Y535 PolarHBondContact OD2-OH 3.11Å; T533-Y535 HydrophobicContact CG2-CD2 4.35Å; T533-Y535 HydrophobicContact CG2-CE1 4.28Å; T533-Y535 HydrophobicContact CG2-CE2 3.78Å; Y535-R540 HydrophobicContact CD1-CB 4.41Å; Y535-R540 HydrophobicContact CD1-CG 3.78Å; Y535-R540 HydrophobicContact CE1-CG 3.69Å; Y535-R787 WeakPolarHBondContact OH-CD 3.2Å |
| 536 | L | 90.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | trans | -92.4 | 176.6 | 164.2 | -52.5 | -169.6 | 0 | 0 | 0 | 108.4 | L437 L438 V534 R539 I541 A835 S839 | L437-L536 HydrophobicContact CD2-CD2 4.04Å; L438-L536 HydrophobicContact CD2-CD1 4.09Å; L438-L536 HydrophobicContact CD2-CD2 4.28Å; L438-L536 HydrophobicContact CG-CD1 4.38Å; V534-L536 HydrophobicContact CG1-CD2 4.05Å; L536-R539 WeakPolarHBondContact CA-O 3.5Å; L536-R539 HydrophobicContact CB-CG 4.13Å; L536-R539 WeakPolarHBondContact CB-O 3.41Å; L536-R539 HydrophobicContact CD1-CG 3.81Å; L536-R539 HydrophobicContact CG-CG 4.23Å; L536-R539 PolarHBondContact N-O 3.34Å; L536-I541 HydrophobicContact CD1-CD1 4.49Å; L536-A835 HydrophobicContact CD2-CB 4.21Å; L536-S839 WeakPolarHBondContact CB-OG 3.47Å | ||
| 537 | V | 86.8 | Confident | 93.5 | Very high | 37 Ų | 37 | 35.6 Ų | 35.6 | 22% | 0.224 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -66.4 | -40.3 | 179.3 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | F643 L645 S839 V840 N843 | V537-F643 HydrophobicContact CB-CD2 4.34Å; V537-F643 HydrophobicContact CG1-CB 3.69Å; V537-F643 HydrophobicContact CG1-CD2 3.56Å; V537-F643 HydrophobicContact CG1-CE2 4.46Å; V537-F643 HydrophobicContact CG1-CG 3.81Å; V537-F643 HydrophobicContact CG2-CD2 3.74Å; V537-F643 HydrophobicContact CG2-CE2 3.97Å; V537-L645 HydrophobicContact CG1-CD1 4.36Å; V537-L645 HydrophobicContact CG1-CD2 4.07Å; V537-S839 PolarHBondContact N-OG 3.34Å; V537-V840 HydrophobicContact CG2-CG2 3.94Å; V537-N843 HydrophobicContact CB-CB 4.35Å; V537-N843 WeakPolarHBondContact CB-ND2 3.32Å; V537-N843 HydrophobicContact CG1-CB 4.1Å; V537-N843 HydrophobicContact CG2-CB 4.2Å |
| 538 | D | 83.8 | Confident | 93.4 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 23% | 0.225 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -104.1 | -24.5 | -171.8 | 62.2 | -34.3 | 0 | 0 | 0 | 113.7 | R430 N434 L645 | R430-D538 IonicContact NH1-OD2 2.63Å; N434-D538 PolarHBondContact ND2-OD2 3.46Å; D538-L645 HydrophobicContact CB-CD1 3.87Å |
| 539 | R | 87.3 | Confident | 93.2 | Very high | 89 Ų | 89 | 34.6 Ų | 34.6 | 34% | 0.336 | 16% | 0.161 | S | C | . | . | trans | -140.2 | 159.8 | -178.6 | 66.8 | 177.6 | 179.9 | -172.8 | -6.5 | 114.2 | L536 | L536-R539 WeakPolarHBondContact CA-O 3.5Å; L536-R539 HydrophobicContact CB-CG 4.13Å; L536-R539 WeakPolarHBondContact CB-O 3.41Å; L536-R539 HydrophobicContact CD1-CG 3.81Å; L536-R539 HydrophobicContact CG-CG 4.23Å; L536-R539 PolarHBondContact N-O 3.34Å | ||
| 540 | R | 89.8 | Confident | 93 | Very high | 66 Ų | 66 | 30.5 Ų | 30.5 | 25% | 0.249 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.5 | 173.7 | -172.9 | -177 | 75.5 | -165.9 | -0.9 | 109.1 | T488 D489 T533 Y535 D542 S550 | T488-R540 PolarHBondContact OG1-NH1 3.49Å; D489-R540 IonicContact OD1-CZ 3.23Å; D489-R540 IonicContact OD1-NH1 3.49Å; D489-R540 PolarHBondContact OD1-NH1 2.84Å; D489-R540 IonicContact OD2-NH1 3.09Å; T533-R540 HydrophobicContact CG2-CG 3.42Å; T533-R540 VanDerWaalsContact CG2-CG 3.42Å; Y535-R540 HydrophobicContact CD1-CB 4.41Å; Y535-R540 HydrophobicContact CD1-CG 3.78Å; Y535-R540 HydrophobicContact CE1-CG 3.69Å; R540-D542 WeakPolarHBondContact CD-OD1 3.4Å; R540-D542 IonicContact CZ-OD1 2.71Å; R540-D542 IonicContact CZ-OD2 3.9Å; R540-D542 IonicContact NE-OD1 3.34Å; R540-D542 PolarHBondContact NE-OD1 3.28Å; R540-D542 IonicContact NE-OD2 2.58Å; R540-D542 IonicContact NH2-OD1 3.27Å; R540-D542 PolarHBondContact NH2-OD1 2.72Å; R540-D542 IonicContact NH2-OD2 3.46Å; R540-D542 PolarHBondContact NH2-OD2 3.4Å; R540-S550 PolarHBondContact NH2-OG 2.99Å |
| 541 | I | 94 | Very high | 92.9 | Very high | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.087 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 106.2 | 178.4 | -56.7 | 166.3 | 0 | 0 | 0 | 107.6 | L438 V443 H445 T533 V534 L536 | L438-I541 HydrophobicContact CD1-CD1 3.38Å; L438-I541 HydrophobicContact CD2-CD1 3.23Å; L438-I541 HydrophobicContact CG-CD1 3.94Å; V443-I541 HydrophobicContact CG1-CD1 4.02Å; V443-I541 HydrophobicContact CG1-CG2 4.49Å; H445-I541 HydrophobicContact CB-CD1 4.02Å; H445-I541 HydrophobicContact CB-CG2 3.96Å; T533-I541 VanDerWaalsContact CA-O 3.3Å; T533-I541 WeakPolarHBondContact CA-O 3.47Å; T533-I541 VanDerWaalsContact CG2-O 3.31Å; T533-I541 WeakPolarHBondContact CG2-O 2.92Å; V534-I541 HydrophobicContact CB-CB 4.31Å; V534-I541 PolarHBondContact N-O 3.32Å; V534-I541 PolarHBondContact O-N 2.79Å; L536-I541 HydrophobicContact CD1-CD1 4.49Å |
| 542 | D | 95.7 | Very high | 92.7 | Very high | 24 Ų | 24 | 32 Ų | 32 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | trans | -76.3 | 142.8 | -170 | -74.2 | -23.9 | 0 | 0 | 0 | 113.2 | R530 R540 L544 S549 | R530-D542 WeakPolarHBondContact CD-O 3.38Å; R530-D542 PolarHBondContact NH1-O 3.02Å; R540-D542 WeakPolarHBondContact CD-OD1 3.4Å; R540-D542 IonicContact CZ-OD1 2.71Å; R540-D542 IonicContact CZ-OD2 3.9Å; R540-D542 IonicContact NE-OD1 3.34Å; R540-D542 PolarHBondContact NE-OD1 3.28Å; R540-D542 IonicContact NE-OD2 2.58Å; R540-D542 IonicContact NH2-OD1 3.27Å; R540-D542 PolarHBondContact NH2-OD1 2.72Å; R540-D542 IonicContact NH2-OD2 3.46Å; R540-D542 PolarHBondContact NH2-OD2 3.4Å; D542-L544 VanDerWaalsContact C-N 3.31Å; D542-L544 WeakPolarHBondContact CB-O 3.33Å; D542-S549 PolarHBondContact OD2-OG 2.97Å | ||
| 543 | M | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -70.7 | -29.5 | 167.3 | -176 | -174.4 | 75.7 | 0 | 0 | 111.8 | A527 R530 T533 P785 I786 Y789 L792 | A527-M543 HydrophobicContact CB-CG 4.14Å; R530-M543 HydrophobicContact CB-CG 4.24Å; T533-M543 PolarHBondContact OG1-N 3.41Å; T533-M543 VanDerWaalsContact OG1-N 3.15Å; M543-P785 WeakPolarHBondContact CE-O 3.29Å; M543-I786 WeakPolarHBondContact CE-O 3.47Å; M543-Y789 PolarHBondContact SD-N 2.72Å; M543-L792 HydrophobicContact CE-CD1 3.82Å |
| 544 | L | 96.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -126 | 154.9 | -175.4 | -64.8 | 173.7 | 0 | 0 | 0 | 110.9 | F448 V513 V517 M523 A527 D542 L548 | F448-L544 VanDerWaalsContact CZ-C 3.41Å; V513-L544 HydrophobicContact CG1-CD1 3.4Å; V513-L544 VanDerWaalsContact CG1-CD1 3.4Å; V517-L544 HydrophobicContact CG2-CD1 4.23Å; V517-L544 HydrophobicContact CG2-CD2 3.76Å; M523-L544 HydrophobicContact CG-CD2 4.44Å; A527-L544 HydrophobicContact CB-CD2 3.75Å; D542-L544 VanDerWaalsContact C-N 3.31Å; D542-L544 WeakPolarHBondContact CB-O 3.33Å; L544-L548 HydrophobicContact CB-CB 4.43Å |
| 545 | P | 96.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | trans | -57.8 | 149.5 | 175.1 | -24.2 | 34 | 0 | 0 | 0 | 112.8 | F448 I452 L453 L456 M523 L547 L548 S549 | F448-P545 HydrophobicContact CD1-CG 4.19Å; F448-P545 HydrophobicContact CD2-CB 4.22Å; F448-P545 HydrophobicContact CD2-CG 4.15Å; F448-P545 HydrophobicContact CE1-CG 4.38Å; F448-P545 HydrophobicContact CE2-CB 4.4Å; F448-P545 HydrophobicContact CE2-CG 4.35Å; F448-P545 HydrophobicContact CG-CG 4.06Å; F448-P545 HydrophobicContact CZ-CG 4.46Å; I452-P545 HydrophobicContact CG2-CG 4.14Å; L453-P545 HydrophobicContact CD2-CB 4.38Å; L456-P545 HydrophobicContact CD1-CB 4.22Å; L456-P545 HydrophobicContact CD2-CB 4.12Å; L456-P545 HydrophobicContact CD2-CG 4.21Å; M523-P545 HydrophobicContact SD-CG 4.32Å; P545-L547 PolarHBondContact O-N 2.91Å; P545-L547 VanDerWaalsContact O-N 3.11Å; P545-L548 PolarHBondContact O-N 2.63Å; P545-S549 PolarHBondContact O-N 2.9Å | ||
| 546 | E | 93.6 | Very high | 92.9 | Very high | 145 Ų | 145 | 29.2 Ų | 29.2 | 68% | 0.678 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -52.6 | -38.4 | -173.9 | -172.1 | -179.4 | 179.7 | 0 | 0 | 113.6 | L548 S549 S550 | E546-L548 PolarHBondContact O-N 2.92Å; E546-S549 WeakPolarHBondContact CA-OG 3.32Å; E546-S549 PolarHBondContact O-N 2.83Å; E546-S550 PolarHBondContact O-N 3.31Å |
| 547 | L | 95.2 | Very high | 93.1 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -57 | -36.3 | 177.2 | 179.9 | 62 | 0 | 0 | 0 | 112.4 | L456 M459 P545 L552 | L456-L547 HydrophobicContact CB-CD2 4.17Å; L456-L547 HydrophobicContact CD1-CB 4.39Å; L456-L547 HydrophobicContact CD1-CD2 4.19Å; L456-L547 HydrophobicContact CD2-CB 4.45Å; L456-L547 HydrophobicContact CD2-CD2 4.35Å; L456-L547 HydrophobicContact CG-CD2 4.48Å; M459-L547 HydrophobicContact CE-CD1 4.13Å; M459-L547 HydrophobicContact CG-CD1 4.37Å; M459-L547 HydrophobicContact CG-CD2 4.19Å; M459-L547 HydrophobicContact SD-CD1 4.05Å; M459-L547 HydrophobicContact SD-CD2 4.34Å; P545-L547 PolarHBondContact O-N 2.91Å; P545-L547 VanDerWaalsContact O-N 3.11Å; L547-L552 HydrophobicContact CD1-CD1 4.19Å; L547-L552 HydrophobicContact CD1-CG 4.04Å; L547-L552 HydrophobicContact CD2-CD1 4.28Å; L547-L552 HydrophobicContact CG-CD1 3.96Å; L547-L552 HydrophobicContact CG-CG 4.19Å; L547-L552 PolarHBondContact O-N 3.04Å |
| 548 | L | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -85.6 | -45.1 | 175.7 | -62.2 | -173.6 | 0 | 0 | 0 | 111.3 | L456 F516 V517 M523 L544 P545 E546 L552 C553 | L456-L548 HydrophobicContact CD2-CD1 4.04Å; L456-L548 HydrophobicContact CD2-CD2 4.3Å; L456-L548 HydrophobicContact CD2-CG 3.76Å; F516-L548 HydrophobicContact CB-CD1 4.01Å; F516-L548 HydrophobicContact CB-CD2 3.84Å; F516-L548 HydrophobicContact CD1-CD2 4.17Å; F516-L548 HydrophobicContact CG-CD2 3.93Å; V517-L548 HydrophobicContact CG2-CD1 4.2Å; M523-L548 HydrophobicContact CE-CD1 3.73Å; M523-L548 HydrophobicContact SD-CD1 3.53Å; M523-L548 VanDerWaalsContact SD-CD1 3.53Å; L544-L548 HydrophobicContact CB-CB 4.43Å; P545-L548 PolarHBondContact O-N 2.63Å; E546-L548 PolarHBondContact O-N 2.92Å; L548-L552 HydrophobicContact CD2-CB 4.24Å; L548-L552 HydrophobicContact CD2-CD1 4.14Å; L548-C553 WeakPolarHBondContact O-CB 3.18Å; L548-C553 PolarHBondContact O-N 2.79Å; L548-C553 VanDerWaalsContact O-N 3.16Å |
| 549 | S | 91.5 | Very high | 94 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -70.4 | -45.2 | -172.3 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | D489 D542 P545 E546 | D489-S549 WeakPolarHBondContact CA-O 3.48Å; D542-S549 PolarHBondContact OD2-OG 2.97Å; P545-S549 PolarHBondContact O-N 2.9Å; E546-S549 WeakPolarHBondContact CA-OG 3.32Å; E546-S549 PolarHBondContact O-N 2.83Å |
| 550 | S | 89.9 | Confident | 94.4 | Very high | 17 Ų | 17 | 31 Ų | 31 | 12% | 0.119 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -103.3 | -8.7 | -173 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | T488 R540 E546 K556 | T488-S550 PolarHBondContact OG1-OG 3.32Å; R540-S550 PolarHBondContact NH2-OG 2.99Å; E546-S550 PolarHBondContact O-N 3.31Å; S550-K556 WeakPolarHBondContact O-CE 3.34Å; S550-K556 PolarHBondContact O-NZ 2.9Å |
| 551 | D | 93.2 | Very high | 94.8 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 23% | 0.225 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -127.8 | -85 | 179.4 | -165.8 | 42.7 | 0 | 0 | 0 | 115.2 | C553 S554 K556 R561 | D551-C553 VanDerWaalsContact C-N 3.3Å; D551-C553 PolarHBondContact O-N 3.18Å; D551-S554 WeakPolarHBondContact O-CB 3.28Å; D551-S554 PolarHBondContact O-N 2.83Å; D551-K556 IonicContact OD1-NZ 3.18Å; D551-K556 PolarHBondContact OD1-NZ 2.88Å; D551-R561 VanDerWaalsContact C-NH2 3.34Å; D551-R561 VanDerWaalsContact O-CZ 3.32Å; D551-R561 PolarHBondContact O-NE 2.84Å; D551-R561 PolarHBondContact O-NH2 2.88Å; D551-R561 IonicContact OD1-NH2 3.75Å; D551-R561 PolarHBondContact OD1-NH2 2.85Å; D551-R561 IonicContact OD2-NH2 2.82Å |
| 552 | L | 93.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -60.9 | -34.5 | -164.8 | -67.7 | -176.9 | 0 | 0 | 0 | 114 | P457 M459 W461 F516 L547 L548 R561 | P457-L552 HydrophobicContact CG-CD1 3.44Å; P457-L552 VanDerWaalsContact CG-CD1 3.44Å; M459-L552 HydrophobicContact CE-CD2 4.38Å; M459-L552 HydrophobicContact SD-CD1 4.31Å; M459-L552 HydrophobicContact SD-CD2 4.36Å; W461-L552 HydrophobicContact CB-CD1 4.31Å; W461-L552 HydrophobicContact CB-CD2 4.05Å; W461-L552 HydrophobicContact CD2-CD2 4.19Å; W461-L552 HydrophobicContact CE3-CD2 3.87Å; W461-L552 HydrophobicContact CG-CD1 4.37Å; W461-L552 HydrophobicContact CG-CD2 4.3Å; F516-L552 HydrophobicContact CE1-CD1 4.34Å; F516-L552 HydrophobicContact CZ-CB 4.42Å; L547-L552 HydrophobicContact CD1-CD1 4.19Å; L547-L552 HydrophobicContact CD1-CG 4.04Å; L547-L552 HydrophobicContact CD2-CD1 4.28Å; L547-L552 HydrophobicContact CG-CD1 3.96Å; L547-L552 HydrophobicContact CG-CG 4.19Å; L547-L552 PolarHBondContact O-N 3.04Å; L548-L552 HydrophobicContact CD2-CB 4.24Å; L548-L552 HydrophobicContact CD2-CD1 4.14Å; L552-R561 VanDerWaalsContact O-CD 3.3Å; L552-R561 WeakPolarHBondContact O-CD 3.09Å; L552-R561 PolarHBondContact O-NE 2.87Å |
| 553 | C | 95.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -92.1 | -17.9 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 113 | A511 V513 F516 L548 D551 L555 I786 | A511-C553 HydrophobicContact CB-CB 4.33Å; A511-C553 WeakPolarHBondContact CB-O 3.44Å; V513-C553 HydrophobicContact CG2-CB 3.8Å; F516-C553 VanDerWaalsContact CD2-SG 3.52Å; L548-C553 WeakPolarHBondContact O-CB 3.18Å; L548-C553 PolarHBondContact O-N 2.79Å; L548-C553 VanDerWaalsContact O-N 3.16Å; D551-C553 VanDerWaalsContact C-N 3.3Å; D551-C553 PolarHBondContact O-N 3.18Å; C553-L555 PolarHBondContact O-N 2.84Å; C553-I786 HydrophobicContact CB-CD1 4.17Å; C553-I786 HydrophobicContact CB-CG1 3.93Å |
| 554 | S | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -69.5 | 123.6 | 178.2 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | T488 I490 D551 K556 R561 | T488-S554 WeakPolarHBondContact O-CB 3.44Å; T488-S554 PolarHBondContact O-OG 2.63Å; I490-S554 PolarHBondContact N-OG 3.17Å; D551-S554 WeakPolarHBondContact O-CB 3.28Å; D551-S554 PolarHBondContact O-N 2.83Å; S554-K556 PolarHBondContact O-N 3.29Å; S554-R561 PolarHBondContact O-NE 2.8Å; S554-R561 VanDerWaalsContact O-NE 3.1Å |
| 555 | L | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | trans | -76.7 | 50.7 | -176.1 | -57.9 | -176.7 | 0 | 0 | 0 | 113.1 | I490 D491 A493 H509 A511 C553 R561 I586 | I490-L555 HydrophobicContact CG2-CB 3.96Å; I490-L555 PolarHBondContact O-N 2.88Å; D491-L555 WeakPolarHBondContact O-CD1 3.46Å; A493-L555 HydrophobicContact CB-CD1 4.01Å; H509-L555 WeakPolarHBondContact O-CD1 3.35Å; A511-L555 HydrophobicContact CB-CD2 4.35Å; A511-L555 HydrophobicContact CB-CG 4.31Å; C553-L555 PolarHBondContact O-N 2.84Å; L555-R561 HydrophobicContact CD2-CB 3.68Å; L555-R561 HydrophobicContact CD2-CG 4.31Å; L555-I586 HydrophobicContact CD1-CD1 3.96Å; L555-I586 HydrophobicContact CD2-CD1 4.01Å; L555-I586 HydrophobicContact CD2-CG1 4.48Å; L555-I586 HydrophobicContact CG-CD1 4.43Å | ||
| 556 | K | 93.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 26.5 Ų | 26.5 | 27% | 0.265 | 14% | 0.142 | S | C | . | . | trans | -55.4 | 149 | -178.9 | -64.5 | 179.8 | -178.7 | 170.1 | 0 | 112.7 | S550 D551 S554 | S550-K556 WeakPolarHBondContact O-CE 3.34Å; S550-K556 PolarHBondContact O-NZ 2.9Å; D551-K556 IonicContact OD1-NZ 3.18Å; D551-K556 PolarHBondContact OD1-NZ 2.88Å; S554-K556 PolarHBondContact O-N 3.29Å | ||
| 557 | A | 94.9 | Very high | 95.7 | Very high | 37 Ų | 37 | 19.7 Ų | 19.7 | 31% | 0.306 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 143.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q559 A591 | A557-Q559 PolarHBondContact O-N 3Å; A557-A591 HydrophobicContact CB-CB 4.16Å |
| 558 | S | 94.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 17.8 Ų | 17.8 | 50% | 0.497 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 25.5 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 115.1 | R587 S588 | S558-R587 PolarHBondContact O-NH1 2.87Å; S558-R587 VanDerWaalsContact O-NH1 3.12Å; S558-R587 PolarHBondContact O-NH2 2.87Å; S558-S588 PolarHBondContact N-O 3.35Å |
| 559 | Q | 94.9 | Very high | 96 | Very high | 72 Ų | 72 | 20.2 Ų | 20.2 | 34% | 0.336 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -125.4 | 143.5 | 175.6 | -62 | -174.6 | 41.2 | 0 | 0 | 110.2 | A557 R587 | A557-Q559 PolarHBondContact O-N 3Å; Q559-R587 WeakPolarHBondContact O-CA 3.22Å |
| 560 | D | 96.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 20.2 Ų | 20.2 | 22% | 0.219 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.4 | 176 | -66.9 | 9.5 | 0 | 0 | 0 | 108.3 | I463 R475 I586 R587 | I463-D560 HydrophobicContact CD1-CB 3.55Å; R475-D560 WeakPolarHBondContact CD-OD2 3.36Å; R475-D560 IonicContact CZ-OD2 3.54Å; R475-D560 IonicContact NE-OD2 3.09Å; R475-D560 IonicContact NH1-OD2 2.69Å; R475-D560 PolarHBondContact NH1-OD2 3.07Å; D560-I586 WeakPolarHBondContact CA-O 3.48Å; D560-R587 VanDerWaalsContact OD1-CD 3.32Å; D560-R587 WeakPolarHBondContact OD1-CD 3.4Å; D560-R587 WeakPolarHBondContact OD1-CG 3.5Å; D560-R587 IonicContact OD1-CZ 2.72Å; D560-R587 IonicContact OD1-NE 2.71Å; D560-R587 IonicContact OD1-NH1 3.79Å; D560-R587 PolarHBondContact OD1-NH1 3.02Å |
| 561 | R | 97.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 5% | 0.053 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151.8 | -174.4 | -67.3 | -61.5 | -163.4 | -140.2 | 4.6 | 111.4 | D551 L552 S554 L555 I585 I586 | D551-R561 VanDerWaalsContact C-NH2 3.34Å; D551-R561 VanDerWaalsContact O-CZ 3.32Å; D551-R561 PolarHBondContact O-NE 2.84Å; D551-R561 PolarHBondContact O-NH2 2.88Å; D551-R561 IonicContact OD1-NH2 3.75Å; D551-R561 PolarHBondContact OD1-NH2 2.85Å; D551-R561 IonicContact OD2-NH2 2.82Å; L552-R561 VanDerWaalsContact O-CD 3.3Å; L552-R561 WeakPolarHBondContact O-CD 3.09Å; L552-R561 PolarHBondContact O-NE 2.87Å; S554-R561 PolarHBondContact O-NE 2.8Å; S554-R561 VanDerWaalsContact O-NE 3.1Å; L555-R561 HydrophobicContact CD2-CB 3.68Å; L555-R561 HydrophobicContact CD2-CG 4.31Å; R561-I585 WeakPolarHBondContact O-CA 3.41Å; R561-I586 PolarHBondContact N-O 2.95Å; R561-I586 PolarHBondContact O-N 2.8Å |
| 562 | F | 98 | Very high | 96.8 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 2% | 0.022 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.4 | 172.7 | -69.1 | -14.7 | 0 | 0 | 0 | 110.8 | W461 I463 D467 R471 D512 H515 F516 I585 | W461-F562 HydrophobicContact CH2-CD1 4.27Å; W461-F562 AromaticContact CH2-CD2 3.98Å; W461-F562 HydrophobicContact CH2-CD2 3.98Å; W461-F562 HydrophobicContact CH2-CE1 4.08Å; W461-F562 AromaticContact CH2-CE2 3.82Å; W461-F562 HydrophobicContact CH2-CE2 3.82Å; W461-F562 HydrophobicContact CH2-CG 4.2Å; W461-F562 AromaticContact CH2-CZ 3.81Å; W461-F562 HydrophobicContact CH2-CZ 3.81Å; W461-F562 AromaticContact CZ2-CD2 3.78Å; W461-F562 HydrophobicContact CZ2-CD2 3.78Å; W461-F562 HydrophobicContact CZ2-CE1 4.33Å; W461-F562 AromaticContact CZ2-CE2 3.34Å; W461-F562 HydrophobicContact CZ2-CE2 3.34Å; W461-F562 HydrophobicContact CZ2-CG 4.45Å; W461-F562 AromaticContact CZ2-CZ 3.59Å; W461-F562 HydrophobicContact CZ2-CZ 3.59Å; I463-F562 HydrophobicContact CB-CE1 4.33Å; I463-F562 HydrophobicContact CD1-CD1 4.21Å; I463-F562 HydrophobicContact CD1-CE1 3.81Å; I463-F562 HydrophobicContact CG1-CD1 4.43Å; I463-F562 HydrophobicContact CG1-CE1 3.68Å; I463-F562 HydrophobicContact CG1-CZ 4.18Å; I463-F562 HydrophobicContact CG2-CE1 3.97Å; I463-F562 HydrophobicContact CG2-CZ 4.42Å; D467-F562 HydrophobicContact CB-CE1 3.91Å; D467-F562 HydrophobicContact CB-CZ 3.54Å; R471-F562 VanDerWaalsContact CZ-CD2 3.47Å; R471-F562 VanDerWaalsContact CZ-CG 3.42Å; R471-F562 VanDerWaalsContact NH2-CD2 3.33Å; D512-F562 HydrophobicContact CB-CB 3.92Å; D512-F562 PolarHBondContact N-O 2.7Å; H515-F562 AromaticContact CD2-CD2 3.71Å; H515-F562 AromaticContact CD2-CE2 3.75Å; H515-F562 AromaticContact NE2-CE2 3.54Å; F516-F562 HydrophobicContact CE2-CD2 4.47Å; F516-F562 HydrophobicContact CZ-CD2 4.26Å; F562-I585 HydrophobicContact CD1-CG1 3.86Å; F562-I585 HydrophobicContact CE1-CD1 4.3Å; F562-I585 HydrophobicContact CE1-CG1 3.88Å |
| 563 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 159.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H509 I510 S584 I586 | H509-A563 HydrophobicContact CB-CB 4.06Å; I510-A563 CarbonylContact O-C 3.58Å; I510-A563 WeakPolarHBondContact O-CA 3.41Å; I510-A563 WeakPolarHBondContact O-CB 3.48Å; A563-S584 PolarHBondContact N-O 3.3Å; A563-S584 PolarHBondContact O-N 3.49Å; A563-S584 PolarHBondContact O-OG 2.86Å; A563-I586 HydrophobicContact CB-CD1 4.09Å; A563-I586 HydrophobicContact CB-CG1 4.16Å; A563-I586 HydrophobicContact CB-CG2 4.13Å |
| 564 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 110.9 | 164.8 | -152.8 | 154.9 | 0 | 0 | 0 | 107.2 | I510 F581 C582 K583 F782 H795 L798 A799 L802 | I510-F564 PolarHBondContact N-O 2.98Å; I510-F564 PolarHBondContact O-N 3.37Å; F564-F581 HydrophobicContact CE2-CB 4.46Å; F564-C582 VanDerWaalsContact CD2-O 3.29Å; F564-C582 WeakPolarHBondContact CD2-O 3.41Å; F564-K583 HydrophobicContact CB-CD 4.39Å; F564-K583 HydrophobicContact CD1-CD 3.89Å; F564-K583 HydrophobicContact CD2-CD 4.14Å; F564-K583 HydrophobicContact CE1-CD 4.02Å; F564-K583 HydrophobicContact CE2-CD 4.27Å; F564-K583 HydrophobicContact CG-CD 3.91Å; F564-K583 HydrophobicContact CZ-CD 4.18Å; F564-F782 HydrophobicContact CB-CE2 4.15Å; F564-F782 HydrophobicContact CB-CZ 4Å; F564-F782 HydrophobicContact CD1-CE2 4.04Å; F564-F782 HydrophobicContact CD2-CZ 4.4Å; F564-F782 AromaticContact CG-CE2 3.97Å; F564-F782 HydrophobicContact CG-CE2 3.97Å; F564-F782 HydrophobicContact CG-CZ 4.08Å; F564-H795 HydrophobicContact CD1-CB 4.23Å; F564-H795 AromaticContact CD1-CG 3.95Å; F564-H795 AromaticContact CD1-ND1 3.69Å; F564-H795 WeakPolarHBondContact CE1-O 3.45Å; F564-L798 HydrophobicContact CD1-CD2 4.4Å; F564-L798 HydrophobicContact CD2-CD2 4.15Å; F564-L798 HydrophobicContact CE1-CB 3.83Å; F564-L798 HydrophobicContact CE1-CD2 3.89Å; F564-L798 HydrophobicContact CE1-CG 3.94Å; F564-L798 HydrophobicContact CE2-CD2 3.61Å; F564-L798 HydrophobicContact CE2-CG 3.91Å; F564-L798 HydrophobicContact CZ-CB 3.77Å; F564-L798 HydrophobicContact CZ-CD2 3.5Å; F564-L798 VanDerWaalsContact CZ-CD2 3.5Å; F564-L798 HydrophobicContact CZ-CG 3.4Å; F564-A799 HydrophobicContact CE1-CB 4.17Å; F564-L802 HydrophobicContact CE2-CD1 3.56Å; F564-L802 HydrophobicContact CZ-CD1 3.67Å |
| 565 | S | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 140.4 | -171.3 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | V508 H509 F581 C582 S584 | V508-S565 CarbonylContact O-C 3.41Å; V508-S565 WeakPolarHBondContact O-CA 3.23Å; H509-S565 PolarHBondContact ND1-OG 2.99Å; S565-F581 WeakPolarHBondContact O-CA 3.2Å; S565-C582 PolarHBondContact N-O 2.87Å; S565-C582 PolarHBondContact O-N 2.86Å; S565-C582 VanDerWaalsContact O-N 3.08Å; S565-S584 PolarHBondContact OG-OG 3.18Å |
| 566 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.1 | 163.9 | -166.7 | 0 | 0 | 0 | 0 | 107 | G507 V508 W568 V579 F581 T677 V678 F782 | G507-V566 WeakPolarHBondContact CA-O 3.32Å; V508-V566 PolarHBondContact N-O 2.97Å; V508-V566 PolarHBondContact O-N 3.17Å; V566-W568 HydrophobicContact CB-CH2 3.72Å; V566-W568 HydrophobicContact CB-CZ2 3.9Å; V566-W568 HydrophobicContact CB-CZ3 4.21Å; V566-W568 HydrophobicContact CG1-CD2 4.21Å; V566-W568 HydrophobicContact CG1-CH2 3.64Å; V566-W568 HydrophobicContact CG1-CZ2 3.25Å; V566-W568 HydrophobicContact CG1-CZ3 4.26Å; V566-W568 WeakPolarHBondContact O-CZ3 3.5Å; V566-V579 HydrophobicContact CG1-CG2 3.57Å; V566-F581 HydrophobicContact CB-CD1 4.37Å; V566-F581 HydrophobicContact CG1-CD1 3.93Å; V566-F581 HydrophobicContact CG1-CE1 3.7Å; V566-F581 HydrophobicContact CG2-CD1 3.91Å; V566-F581 HydrophobicContact CG2-CE1 4.11Å; V566-T677 HydrophobicContact CG1-CG2 4.49Å; V566-V678 HydrophobicContact CG2-CG2 3.99Å; V566-F782 HydrophobicContact CG2-CD1 4.33Å; V566-F782 HydrophobicContact CG2-CE1 3.54Å; V566-F782 HydrophobicContact CG2-CZ 3.95Å |
| 567 | I | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.5 | -175.2 | -60.1 | 169.9 | 0 | 0 | 0 | 108.4 | L474 E505 V506 V579 R580 | L474-I567 HydrophobicContact CD1-CD1 3.84Å; E505-I567 HydrophobicContact CG-CG2 3.62Å; V506-I567 CarbonylContact O-C 3.58Å; V506-I567 WeakPolarHBondContact O-CA 3.26Å; I567-V579 CarbonylContact O-C 3.57Å; I567-V579 WeakPolarHBondContact O-CA 3.35Å; I567-R580 HydrophobicContact CB-CG 3.94Å; I567-R580 VanDerWaalsContact CD1-CZ 3.5Å; I567-R580 VanDerWaalsContact CD1-NH2 3.33Å; I567-R580 PolarHBondContact N-O 3.44Å; I567-R580 PolarHBondContact O-N 3.49Å |
| 568 | W | 98.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.6 | -178.8 | -58.6 | -85.1 | 0 | 0 | 0 | 111.3 | E505 V506 V508 V566 I570 T576 S578 V579 L673 A674 T677 | E505-W568 WeakPolarHBondContact CA-O 3.48Å; V506-W568 HydrophobicContact CG1-CE3 4.39Å; V506-W568 PolarHBondContact N-O 3.31Å; V506-W568 PolarHBondContact O-N 3.37Å; V508-W568 HydrophobicContact CB-CH2 4.05Å; V508-W568 HydrophobicContact CB-CZ3 3.88Å; V508-W568 HydrophobicContact CG2-CH2 3.82Å; V508-W568 HydrophobicContact CG2-CZ3 3.54Å; V566-W568 HydrophobicContact CB-CH2 3.72Å; V566-W568 HydrophobicContact CB-CZ2 3.9Å; V566-W568 HydrophobicContact CB-CZ3 4.21Å; V566-W568 HydrophobicContact CG1-CD2 4.21Å; V566-W568 HydrophobicContact CG1-CH2 3.64Å; V566-W568 HydrophobicContact CG1-CZ2 3.25Å; V566-W568 HydrophobicContact CG1-CZ3 4.26Å; V566-W568 WeakPolarHBondContact O-CZ3 3.5Å; W568-I570 HydrophobicContact CB-CD1 3.94Å; W568-I570 HydrophobicContact CB-CG1 3.61Å; W568-I570 HydrophobicContact CG-CD1 4.42Å; W568-I570 HydrophobicContact CG-CG1 4.48Å; W568-T576 HydrophobicContact CB-CG2 4.46Å; W568-T576 VanDerWaalsContact CD1-CG2 3.41Å; W568-T576 HydrophobicContact CG-CG2 4.24Å; W568-S578 VanDerWaalsContact CA-O 3.31Å; W568-S578 WeakPolarHBondContact CA-O 3.42Å; W568-V579 HydrophobicContact CG-CG2 4.3Å; W568-L673 HydrophobicContact CD2-CD2 4.15Å; W568-L673 HydrophobicContact CE3-CD2 4.39Å; W568-L673 HydrophobicContact CH2-CD2 4.46Å; W568-L673 HydrophobicContact CH2-CG 4.28Å; W568-L673 HydrophobicContact CZ2-CB 4.44Å; W568-L673 HydrophobicContact CZ2-CD2 4.18Å; W568-L673 HydrophobicContact CZ2-CG 3.76Å; W568-A674 HydrophobicContact CH2-CB 3.83Å; W568-A674 HydrophobicContact CZ2-CB 4.34Å; W568-T677 PolarHBondContact NE1-OG1 3.1Å |
| 569 | E | 98.6 | Very high | 97.7 | Very high | 51 Ų | 51 | 36.9 Ų | 36.9 | 24% | 0.238 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.4 | 152.8 | -170.7 | 177.7 | 170.7 | 0 | 0 | 108.7 | L499 N501 H503 F504 L577 S578 | L499-E569 HydrophobicContact CD1-CG 3.91Å; N501-E569 PolarHBondContact ND2-OE1 2.81Å; H503-E569 HydrophobicContact CB-CG 4.07Å; H503-E569 IonicContact CE1-OE1 3.83Å; H503-E569 IonicContact CG-OE1 3.62Å; H503-E569 IonicContact ND1-OE1 2.77Å; H503-E569 PolarHBondContact ND1-OE1 2.95Å; F504-E569 WeakPolarHBondContact O-CA 3.44Å; E569-L577 HydrophobicContact CB-CB 4.48Å; E569-L577 HydrophobicContact CG-CD1 4.29Å; E569-L577 PolarHBondContact O-N 3.24Å; E569-S578 WeakPolarHBondContact CB-OG 3.28Å; E569-S578 PolarHBondContact N-O 3.42Å; E569-S578 VanDerWaalsContact N-O 3.17Å |
| 570 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.7 | -174.8 | -58.8 | -173 | 0 | 0 | 0 | 109.9 | H503 F504 V506 W568 A574 N575 L620 L673 | H503-I570 WeakPolarHBondContact CB-O 3.47Å; F504-I570 PolarHBondContact N-O 2.8Å; F504-I570 PolarHBondContact O-N 2.7Å; V506-I570 HydrophobicContact CB-CD1 3.95Å; V506-I570 HydrophobicContact CB-CG1 4.49Å; V506-I570 HydrophobicContact CG1-CD1 4.45Å; V506-I570 HydrophobicContact CG2-CB 4.48Å; V506-I570 HydrophobicContact CG2-CD1 3.95Å; V506-I570 HydrophobicContact CG2-CG1 4.36Å; W568-I570 HydrophobicContact CB-CD1 3.94Å; W568-I570 HydrophobicContact CB-CG1 3.61Å; W568-I570 HydrophobicContact CG-CD1 4.42Å; W568-I570 HydrophobicContact CG-CG1 4.48Å; I570-A574 HydrophobicContact CG2-CB 4.42Å; I570-N575 WeakPolarHBondContact CA-O 3.47Å; I570-L620 HydrophobicContact CG2-CD1 4.35Å; I570-L620 HydrophobicContact CG2-CD2 4.11Å; I570-L673 HydrophobicContact CD1-CD2 4.05Å |
| 571 | D | 97.9 | Very high | 98 | Very high | 23 Ų | 23 | 37 Ų | 37 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | trans | -75.1 | 172.2 | 175.9 | 79.7 | 2.8 | 0 | 0 | 0 | 112.6 | N573 A574 N575 L577 | D571-N573 PolarHBondContact O-N 2.72Å; D571-N573 WeakPolarHBondContact OD1-CA 3.44Å; D571-N573 WeakPolarHBondContact OD1-CB 3.28Å; D571-N573 PolarHBondContact OD1-N 2.92Å; D571-A574 PolarHBondContact O-N 2.9Å; D571-A574 PolarHBondContact OD1-N 2.93Å; D571-N575 PolarHBondContact N-O 3.18Å; D571-N575 WeakPolarHBondContact OD1-CB 3.4Å; D571-N575 PolarHBondContact OD1-N 3.03Å; D571-N575 PolarHBondContact OD1-ND2 2.97Å; D571-N575 PolarHBondContact OD2-ND2 3.09Å; D571-L577 HydrophobicContact CB-CD1 4.24Å; D571-L577 HydrophobicContact CB-CD2 4.47Å; D571-L577 HydrophobicContact CB-CG 4.45Å | ||
| 572 | K | 95.8 | Very high | 98 | Very high | 140 Ų | 140 | 37.1 Ų | 37.1 | 61% | 0.609 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.4 | 176.3 | 67.7 | -178 | 177.8 | -176 | 0 | 114.3 | K623 | K572-K623 PolarHBondContact O-NZ 3.15Š|
| 573 | N | 96.5 | Very high | 98 | Very high | 83 Ų | 83 | 38.2 Ų | 38.2 | 44% | 0.444 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9.5 | 179.1 | -64.3 | -40.6 | 0 | 0 | 0 | 112.4 | D571 N575 K627 | D571-N573 PolarHBondContact O-N 2.72Å; D571-N573 WeakPolarHBondContact OD1-CA 3.44Å; D571-N573 WeakPolarHBondContact OD1-CB 3.28Å; D571-N573 PolarHBondContact OD1-N 2.92Å; N573-N575 VanDerWaalsContact C-N 3.28Å; N573-N575 PolarHBondContact O-N 3.09Å; N573-K627 WeakPolarHBondContact O-CE 3.41Å; N573-K627 PolarHBondContact O-NZ 3.39Å |
| 574 | A | 97.4 | Very high | 98 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | trans | 59.4 | 35.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I570 D571 L620 K623 L624 K627 | I570-A574 HydrophobicContact CG2-CB 4.42Å; D571-A574 PolarHBondContact O-N 2.9Å; D571-A574 PolarHBondContact OD1-N 2.93Å; A574-L620 HydrophobicContact CB-CD2 4.05Å; A574-K623 HydrophobicContact CB-CB 3.75Å; A574-L624 HydrophobicContact CB-CD2 3.96Å; A574-L624 HydrophobicContact CB-CG 4.02Å; A574-K627 PolarHBondContact O-NZ 2.84Å | ||
| 575 | N | 97.6 | Very high | 98 | Very high | 69 Ų | 69 | 38.2 Ų | 38.2 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | trans | -90.2 | 132.1 | 166.3 | -57.4 | -50.4 | 0 | 0 | 0 | 109 | I570 D571 N573 L577 K627 | I570-N575 WeakPolarHBondContact CA-O 3.47Å; D571-N575 PolarHBondContact N-O 3.18Å; D571-N575 WeakPolarHBondContact OD1-CB 3.4Å; D571-N575 PolarHBondContact OD1-N 3.03Å; D571-N575 PolarHBondContact OD1-ND2 2.97Å; D571-N575 PolarHBondContact OD2-ND2 3.09Å; N573-N575 VanDerWaalsContact C-N 3.28Å; N573-N575 PolarHBondContact O-N 3.09Å; N575-L577 PolarHBondContact O-N 3.44Å; N575-K627 PolarHBondContact OD1-NZ 3.02Å | ||
| 576 | T | 97.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 120.5 | 172.8 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | W568 | W568-T576 HydrophobicContact CB-CG2 4.46Å; W568-T576 VanDerWaalsContact CD1-CG2 3.41Å; W568-T576 HydrophobicContact CG-CG2 4.24Å |
| 577 | L | 97.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 42.5 Ų | 42.5 | 47% | 0.466 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -39.6 | 179 | -57 | -179.3 | 0 | 0 | 0 | 111.6 | H503 E569 D571 N575 | H503-L577 WeakPolarHBondContact CE1-CD1 3.48Å; H503-L577 VanDerWaalsContact ND1-CD1 3.28Å; H503-L577 WeakPolarHBondContact ND1-CD1 3.33Å; E569-L577 HydrophobicContact CB-CB 4.48Å; E569-L577 HydrophobicContact CG-CD1 4.29Å; E569-L577 PolarHBondContact O-N 3.24Å; D571-L577 HydrophobicContact CB-CD1 4.24Å; D571-L577 HydrophobicContact CB-CD2 4.47Å; D571-L577 HydrophobicContact CB-CG 4.45Å; N575-L577 PolarHBondContact O-N 3.44Å |
| 578 | S | 98.1 | Very high | 97.8 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 41% | 0.413 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 160.1 | 177.2 | 69.4 | 0 | 0 | 0 | 0 | 110.3 | W568 E569 | W568-S578 VanDerWaalsContact CA-O 3.31Å; W568-S578 WeakPolarHBondContact CA-O 3.42Å; E569-S578 WeakPolarHBondContact CB-OG 3.28Å; E569-S578 PolarHBondContact N-O 3.42Å; E569-S578 VanDerWaalsContact N-O 3.17Å |
| 579 | V | 98.3 | Very high | 97.7 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 143.6 | 173.3 | 62.5 | 0 | 0 | 0 | 0 | 110.3 | V566 I567 W568 F581 T677 | V566-V579 HydrophobicContact CG1-CG2 3.57Å; I567-V579 CarbonylContact O-C 3.57Å; I567-V579 WeakPolarHBondContact O-CA 3.35Å; W568-V579 HydrophobicContact CG-CG2 4.3Å; V579-F581 HydrophobicContact CG1-CE2 4.22Å; V579-F581 HydrophobicContact CG1-CZ 4.34Å; V579-F581 HydrophobicContact CG2-CE1 4.3Å; V579-F581 HydrophobicContact CG2-CE2 4.26Å; V579-F581 HydrophobicContact CG2-CZ 4.01Å; V579-T677 HydrophobicContact CB-CG2 4.11Å; V579-T677 HydrophobicContact CG1-CG2 3.88Å; V579-T677 HydrophobicContact CG2-CG2 3.67Å |
| 580 | R | 97.9 | Very high | 97.6 | Very high | 88 Ų | 88 | 45.4 Ų | 45.4 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 151.1 | 169 | 67.2 | -172.7 | -173.2 | 90.2 | -12.3 | 110.7 | E472 I567 | E472-R580 VanDerWaalsContact CD-NH1 3.3Å; E472-R580 IonicContact OE1-CZ 2.69Å; E472-R580 IonicContact OE1-NH1 3.41Å; E472-R580 PolarHBondContact OE1-NH1 3.07Å; E472-R580 VanDerWaalsContact OE1-NH1 3.09Å; E472-R580 IonicContact OE1-NH2 3.35Å; E472-R580 PolarHBondContact OE1-NH2 2.78Å; E472-R580 IonicContact OE2-CZ 3.03Å; E472-R580 IonicContact OE2-NH1 2.69Å; E472-R580 PolarHBondContact OE2-NH1 3.43Å; E472-R580 IonicContact OE2-NH2 3.7Å; I567-R580 HydrophobicContact CB-CG 3.94Å; I567-R580 VanDerWaalsContact CD1-CZ 3.5Å; I567-R580 VanDerWaalsContact CD1-NH2 3.33Å; I567-R580 PolarHBondContact N-O 3.44Å; I567-R580 PolarHBondContact O-N 3.49Å |
| 581 | F | 98.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.1 | 178.7 | -50.5 | -90.8 | 0 | 0 | 0 | 108.9 | F564 S565 V566 V579 T677 V678 R681 L798 L802 | F564-F581 HydrophobicContact CE2-CB 4.46Å; S565-F581 WeakPolarHBondContact O-CA 3.2Å; V566-F581 HydrophobicContact CB-CD1 4.37Å; V566-F581 HydrophobicContact CG1-CD1 3.93Å; V566-F581 HydrophobicContact CG1-CE1 3.7Å; V566-F581 HydrophobicContact CG2-CD1 3.91Å; V566-F581 HydrophobicContact CG2-CE1 4.11Å; V579-F581 HydrophobicContact CG1-CE2 4.22Å; V579-F581 HydrophobicContact CG1-CZ 4.34Å; V579-F581 HydrophobicContact CG2-CE1 4.3Å; V579-F581 HydrophobicContact CG2-CE2 4.26Å; V579-F581 HydrophobicContact CG2-CZ 4.01Å; F581-T677 HydrophobicContact CE1-CG2 4.16Å; F581-T677 HydrophobicContact CZ-CG2 3.74Å; F581-V678 HydrophobicContact CD1-CG2 4.26Å; F581-V678 HydrophobicContact CE1-CG2 3.74Å; F581-R681 HydrophobicContact CD2-CG 4.33Å; F581-R681 HydrophobicContact CE2-CB 3.98Å; F581-R681 HydrophobicContact CE2-CG 3.76Å; F581-R681 HydrophobicContact CZ-CB 3.82Å; F581-R681 HydrophobicContact CZ-CG 4.08Å; F581-L798 HydrophobicContact CB-CD1 4.5Å; F581-L798 HydrophobicContact CB-CD2 4.49Å; F581-L798 HydrophobicContact CD1-CD1 4.18Å; F581-L798 HydrophobicContact CD1-CD2 3.96Å; F581-L798 HydrophobicContact CG-CD1 4.2Å; F581-L798 HydrophobicContact CG-CD2 4.47Å; F581-L802 HydrophobicContact CB-CD1 4.26Å; F581-L802 HydrophobicContact CB-CD2 4.24Å |
| 582 | C | 97.6 | Very high | 97.3 | Very high | 16 Ų | 16 | 47 Ų | 47 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 150.2 | 176 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | E472 F564 S565 | E472-C582 PolarHBondContact OE2-SG 3.3Å; F564-C582 VanDerWaalsContact CD2-O 3.29Å; F564-C582 WeakPolarHBondContact CD2-O 3.41Å; S565-C582 PolarHBondContact N-O 2.87Å; S565-C582 PolarHBondContact O-N 2.86Å; S565-C582 VanDerWaalsContact O-N 3.08Å |
| 583 | K | 97.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 12% | 0.122 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.3 | 158.7 | -64.4 | -63.3 | -163.8 | 172.5 | 0 | 107.2 | R471 E472 D512 S514 F564 | R471-K583 WeakPolarHBondContact CA-O 3.38Å; R471-K583 HydrophobicContact CG-CB 4.1Å; E472-K583 PolarHBondContact N-O 2.85Å; D512-K583 IonicContact OD1-NZ 3.7Å; D512-K583 PolarHBondContact OD1-NZ 3.46Å; D512-K583 WeakPolarHBondContact OD2-CD 3.26Å; D512-K583 IonicContact OD2-NZ 2.7Å; D512-K583 PolarHBondContact OD2-NZ 3.06Å; S514-K583 PolarHBondContact OG-NZ 3.15Å; F564-K583 HydrophobicContact CB-CD 4.39Å; F564-K583 HydrophobicContact CD1-CD 3.89Å; F564-K583 HydrophobicContact CD2-CD 4.14Å; F564-K583 HydrophobicContact CE1-CD 4.02Å; F564-K583 HydrophobicContact CE2-CD 4.27Å; F564-K583 HydrophobicContact CG-CD 3.91Å; F564-K583 HydrophobicContact CZ-CD 4.18Å |
| 584 | S | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 161.9 | -171.7 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | E472 A563 S565 | E472-S584 CarbonylContact O-C 3.59Å; E472-S584 WeakPolarHBondContact O-CA 3.46Å; E472-S584 WeakPolarHBondContact O-CB 3.42Å; A563-S584 PolarHBondContact N-O 3.3Å; A563-S584 PolarHBondContact O-N 3.49Å; A563-S584 PolarHBondContact O-OG 2.86Å; S565-S584 PolarHBondContact OG-OG 3.18Å |
| 585 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.7 | 166 | -61.9 | 160 | 0 | 0 | 0 | 107.2 | I463 L468 R471 E472 L474 R475 R561 F562 | I463-I585 HydrophobicContact CD1-CG1 4.4Å; I463-I585 HydrophobicContact CD1-CG2 3.54Å; I463-I585 HydrophobicContact CG2-CD1 3.86Å; L468-I585 HydrophobicContact CD2-CD1 3.57Å; L468-I585 HydrophobicContact CG-CD1 4.04Å; R471-I585 HydrophobicContact CB-CD1 3.99Å; R471-I585 HydrophobicContact CB-CG1 3.85Å; R471-I585 HydrophobicContact CG-CG1 4.44Å; E472-I585 PolarHBondContact O-N 2.86Å; L474-I585 WeakPolarHBondContact CA-O 3.48Å; L474-I585 PolarHBondContact N-O 3.33Å; R475-I585 HydrophobicContact CG-CG2 3.92Å; R475-I585 PolarHBondContact N-O 3.3Å; R561-I585 WeakPolarHBondContact O-CA 3.41Å; F562-I585 HydrophobicContact CD1-CG1 3.86Å; F562-I585 HydrophobicContact CE1-CD1 4.3Å; F562-I585 HydrophobicContact CE1-CG1 3.88Å |
| 586 | I | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 160.5 | 180 | 68.6 | 168 | 0 | 0 | 0 | 110.5 | L474 I479 A493 H509 L555 D560 R561 A563 | L474-I586 HydrophobicContact CB-CG2 4.14Å; I479-I586 HydrophobicContact CD1-CB 3.86Å; I479-I586 HydrophobicContact CD1-CG2 3.7Å; I479-I586 HydrophobicContact CG2-CD1 4.33Å; A493-I586 HydrophobicContact CB-CD1 4.3Å; H509-I586 HydrophobicContact CB-CD1 3.89Å; H509-I586 HydrophobicContact CB-CG2 4.25Å; L555-I586 HydrophobicContact CD1-CD1 3.96Å; L555-I586 HydrophobicContact CD2-CD1 4.01Å; L555-I586 HydrophobicContact CD2-CG1 4.48Å; L555-I586 HydrophobicContact CG-CD1 4.43Å; D560-I586 WeakPolarHBondContact CA-O 3.48Å; R561-I586 PolarHBondContact N-O 2.95Å; R561-I586 PolarHBondContact O-N 2.8Å; A563-I586 HydrophobicContact CB-CD1 4.09Å; A563-I586 HydrophobicContact CB-CG1 4.16Å; A563-I586 HydrophobicContact CB-CG2 4.13Å |
| 587 | R | 97.8 | Very high | 96.8 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 96.2 | 169.5 | -176.9 | -178 | -176.2 | 80.1 | 2.8 | 109 | R475 S558 Q559 D560 R589 | R475-R587 HydrophobicContact CB-CB 4.06Å; R475-R587 HydrophobicContact CG-CB 3.93Å; S558-R587 PolarHBondContact O-NH1 2.87Å; S558-R587 VanDerWaalsContact O-NH1 3.12Å; S558-R587 PolarHBondContact O-NH2 2.87Å; Q559-R587 WeakPolarHBondContact O-CA 3.22Å; D560-R587 VanDerWaalsContact OD1-CD 3.32Å; D560-R587 WeakPolarHBondContact OD1-CD 3.4Å; D560-R587 WeakPolarHBondContact OD1-CG 3.5Å; D560-R587 IonicContact OD1-CZ 2.72Å; D560-R587 IonicContact OD1-NE 2.71Å; D560-R587 IonicContact OD1-NH1 3.79Å; D560-R587 PolarHBondContact OD1-NH1 3.02Å; R587-R589 PolarHBondContact O-N 3.07Å; R587-R589 PolarHBondContact O-NH1 3.49Å; R587-R589 VanDerWaalsContact O-NH1 3.08Å |
| 588 | S | 97 | Very high | 96.7 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | trans | -55.7 | 124.8 | -179.9 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | S558 A590 | S558-S588 PolarHBondContact N-O 3.35Å; S588-A590 PolarHBondContact OG-O 2.84Å | ||
| 589 | R | 97 | Very high | 96.6 | Very high | 103 Ų | 103 | 41.9 Ų | 41.9 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -77.5 | -27.7 | 178.8 | -67.5 | -63.1 | -171.2 | -97.3 | 0.7 | 111.9 | R475 V478 I479 R587 | R475-R589 VanDerWaalsContact O-CZ 3.31Å; R475-R589 PolarHBondContact O-NH1 3.31Å; R475-R589 PolarHBondContact O-NH2 3.48Å; V478-R589 HydrophobicContact CG1-CG 4.32Å; I479-R589 WeakPolarHBondContact O-CB 3.49Å; I479-R589 PolarHBondContact O-N 3.21Å; R587-R589 PolarHBondContact O-N 3.07Å; R587-R589 PolarHBondContact O-NH1 3.49Å; R587-R589 VanDerWaalsContact O-NH1 3.08Å |
| 590 | A | 95.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 143.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | C480 S481 S588 L592 L610 | C480-A590 VanDerWaalsContact CA-O 3.22Å; C480-A590 WeakPolarHBondContact CA-O 3.26Å; C480-A590 HydrophobicContact CB-CB 4.43Å; C480-A590 VanDerWaalsContact CB-O 3.31Å; C480-A590 WeakPolarHBondContact CB-O 3.44Å; S481-A590 PolarHBondContact N-O 3.27Å; S588-A590 PolarHBondContact OG-O 2.84Å; A590-L592 HydrophobicContact CB-CD1 4.48Å; A590-L592 HydrophobicContact CB-CD2 3.86Å; A590-L592 HydrophobicContact CB-CG 3.95Å; A590-L610 HydrophobicContact CB-CD2 3.81Å |
| 591 | A | 94.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 39.7 Ų | 39.7 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 111.9 | 163 | 0 | 0 | 0 | 0 | 0 | 106.2 | S481 I490 A557 | S481-A591 WeakPolarHBondContact OG-CA 3.49Å; I490-A591 HydrophobicContact CD1-CB 4.07Å; A557-A591 HydrophobicContact CB-CB 4.16Å |
| 592 | L | 96.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.2 | -171.3 | -59.7 | 173.5 | 0 | 0 | 0 | 110.6 | S481 I482 D483 A590 E596 A597 R600 L614 | S481-L592 PolarHBondContact O-N 2.96Å; I482-L592 CarbonylContact C-O 3.51Å; I482-L592 VanDerWaalsContact CA-O 3.26Å; I482-L592 WeakPolarHBondContact CA-O 3.34Å; D483-L592 PolarHBondContact N-O 3.27Å; A590-L592 HydrophobicContact CB-CD1 4.48Å; A590-L592 HydrophobicContact CB-CD2 3.86Å; A590-L592 HydrophobicContact CB-CG 3.95Å; L592-E596 HydrophobicContact CB-CB 4.47Å; L592-E596 HydrophobicContact CD2-CB 4.3Å; L592-A597 HydrophobicContact CB-CB 4.29Å; L592-A597 HydrophobicContact CD1-CB 4.29Å; L592-R600 VanDerWaalsContact CD2-NH1 3.25Å; L592-L614 HydrophobicContact CD1-CD1 3.93Å |
| 593 | T | 95.1 | Very high | 96.1 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 158.9 | 162.1 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | D483 P485 F595 E596 A597 | D483-T593 VanDerWaalsContact O-CA 3.3Å; D483-T593 WeakPolarHBondContact O-CA 3.39Å; P485-T593 HydrophobicContact CB-CG2 4.22Å; P485-T593 HydrophobicContact CG-CG2 4.03Å; T593-F595 PolarHBondContact O-N 3.38Å; T593-F595 VanDerWaalsContact O-N 3.16Å; T593-E596 WeakPolarHBondContact CB-OE2 3.45Å; T593-E596 WeakPolarHBondContact CG2-OE2 3.44Å; T593-E596 PolarHBondContact N-OE2 2.99Å; T593-E596 PolarHBondContact O-N 2.84Å; T593-E596 VanDerWaalsContact OG1-CD 3.29Å; T593-E596 VanDerWaalsContact OG1-CG 3.24Å; T593-E596 WeakPolarHBondContact OG1-CG 3.12Å; T593-E596 PolarHBondContact OG1-N 2.93Å; T593-E596 PolarHBondContact OG1-OE2 2.78Å; T593-A597 WeakPolarHBondContact O-CB 3.42Å; T593-A597 PolarHBondContact O-N 2.65Å |
| 594 | Y | 93.1 | Very high | 95.7 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 18% | 0.184 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53 | -35.8 | 172.9 | -68.1 | -66 | 0 | 0 | 0 | 113.3 | I482 D483 P484 Q598 T663 N664 V667 | I482-Y594 HydrophobicContact CG2-CD1 3.58Å; I482-Y594 HydrophobicContact CG2-CE1 3.85Å; I482-Y594 HydrophobicContact CG2-CG 4.33Å; D483-Y594 PolarHBondContact O-N 2.69Å; P484-Y594 HydrophobicContact CB-CE2 4.42Å; P484-Y594 HydrophobicContact CG-CE2 3.91Å; Y594-Q598 VanDerWaalsContact O-CB 3.25Å; Y594-Q598 WeakPolarHBondContact O-CB 3.29Å; Y594-Q598 PolarHBondContact O-N 2.73Å; Y594-T663 PolarHBondContact O-OG1 2.87Å; Y594-N664 HydrophobicContact CD1-CB 4.46Å; Y594-N664 WeakPolarHBondContact CD1-ND2 3.24Å; Y594-N664 VanDerWaalsContact CD2-ND2 3.31Å; Y594-N664 WeakPolarHBondContact CD2-ND2 3.22Å; Y594-N664 HydrophobicContact CE1-CB 4.43Å; Y594-N664 WeakPolarHBondContact CE1-ND2 3.08Å; Y594-N664 WeakPolarHBondContact CE2-ND2 3.47Å; Y594-N664 VanDerWaalsContact CZ-ND2 3.31Å; Y594-V667 HydrophobicContact CE1-CG2 4.07Å |
| 595 | F | 93.8 | Very high | 95.4 | Very high | 152 Ų | 152 | 66.4 Ų | 66.4 | 67% | 0.667 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71 | -45.7 | 178.8 | -175.7 | -95 | 0 | 0 | 0 | 112 | T593 A597 Q598 A599 | T593-F595 PolarHBondContact O-N 3.38Å; T593-F595 VanDerWaalsContact O-N 3.16Å; F595-A597 PolarHBondContact O-N 2.79Å; F595-Q598 WeakPolarHBondContact O-CB 3.22Å; F595-Q598 PolarHBondContact O-N 3.46Å; F595-A599 WeakPolarHBondContact O-CB 3.16Å; F595-A599 PolarHBondContact O-N 3.41Å |
| 596 | E | 95.6 | Very high | 95 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.6 | -70.1 | 164.1 | 139.7 | 0 | 0 | 112.1 | L592 T593 Q598 A599 R600 | L592-E596 HydrophobicContact CB-CB 4.47Å; L592-E596 HydrophobicContact CD2-CB 4.3Å; T593-E596 WeakPolarHBondContact CB-OE2 3.45Å; T593-E596 WeakPolarHBondContact CG2-OE2 3.44Å; T593-E596 PolarHBondContact N-OE2 2.99Å; T593-E596 PolarHBondContact O-N 2.84Å; T593-E596 VanDerWaalsContact OG1-CD 3.29Å; T593-E596 VanDerWaalsContact OG1-CG 3.24Å; T593-E596 WeakPolarHBondContact OG1-CG 3.12Å; T593-E596 PolarHBondContact OG1-N 2.93Å; T593-E596 PolarHBondContact OG1-OE2 2.78Å; E596-Q598 VanDerWaalsContact C-N 3.31Å; E596-Q598 PolarHBondContact O-N 3.04Å; E596-A599 PolarHBondContact O-N 3.38Å; E596-R600 PolarHBondContact O-N 3.36Å; E596-R600 VanDerWaalsContact O-N 3.12Å |
| 597 | A | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I482 L592 T593 F595 R600 I601 T663 | I482-A597 HydrophobicContact CD1-CB 4Å; I482-A597 HydrophobicContact CG1-CB 4.16Å; I482-A597 HydrophobicContact CG2-CB 3.85Å; L592-A597 HydrophobicContact CB-CB 4.29Å; L592-A597 HydrophobicContact CD1-CB 4.29Å; T593-A597 WeakPolarHBondContact O-CB 3.42Å; T593-A597 PolarHBondContact O-N 2.65Å; F595-A597 PolarHBondContact O-N 2.79Å; A597-R600 PolarHBondContact O-N 3.47Å; A597-I601 VanDerWaalsContact O-CG1 3.31Å; A597-I601 WeakPolarHBondContact O-CG1 3.49Å; A597-I601 PolarHBondContact O-N 2.93Å; A597-T663 HydrophobicContact CB-CG2 3.77Å |
| 598 | Q | 96.2 | Very high | 94.6 | Very high | 20 Ų | 20 | 71.7 Ų | 71.7 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 178.3 | -174.5 | 63.8 | 57.9 | 0 | 0 | 110.6 | Y594 F595 E596 R600 I601 D602 L661 T663 | Y594-Q598 VanDerWaalsContact O-CB 3.25Å; Y594-Q598 WeakPolarHBondContact O-CB 3.29Å; Y594-Q598 PolarHBondContact O-N 2.73Å; F595-Q598 WeakPolarHBondContact O-CB 3.22Å; F595-Q598 PolarHBondContact O-N 3.46Å; E596-Q598 VanDerWaalsContact C-N 3.31Å; E596-Q598 PolarHBondContact O-N 3.04Å; Q598-R600 VanDerWaalsContact C-N 3.27Å; Q598-R600 PolarHBondContact O-N 3.24Å; Q598-I601 WeakPolarHBondContact O-CB 3.34Å; Q598-I601 PolarHBondContact O-N 2.88Å; Q598-I601 VanDerWaalsContact O-N 3.09Å; Q598-D602 WeakPolarHBondContact CG-OD2 3.34Å; Q598-D602 VanDerWaalsContact NE2-CG 3.28Å; Q598-D602 PolarHBondContact NE2-OD1 3.32Å; Q598-D602 PolarHBondContact NE2-OD2 3.03Å; Q598-D602 VanDerWaalsContact O-CG 3.31Å; Q598-D602 PolarHBondContact O-N 2.98Å; Q598-L661 HydrophobicContact CB-CD1 4.31Å; Q598-T663 HydrophobicContact CB-CG2 3.92Å |
| 599 | A | 95.9 | Very high | 94.4 | Very high | 51 Ų | 51 | 78.4 Ų | 78.4 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.9 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F595 E596 D602 D603 | F595-A599 WeakPolarHBondContact O-CB 3.16Å; F595-A599 PolarHBondContact O-N 3.41Å; E596-A599 PolarHBondContact O-N 3.38Å; A599-D602 PolarHBondContact O-N 3.32Å; A599-D603 WeakPolarHBondContact O-CB 3.47Å; A599-D603 PolarHBondContact O-N 3.05Å |
| 600 | R | 95.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 74.2 Ų | 74.2 | 33% | 0.328 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 175.3 | -75.1 | -173.2 | 174.3 | 160 | 1 | 113.9 | L592 E596 A597 Q598 D602 L614 | L592-R600 VanDerWaalsContact CD2-NH1 3.25Å; E596-R600 PolarHBondContact O-N 3.36Å; E596-R600 VanDerWaalsContact O-N 3.12Å; A597-R600 PolarHBondContact O-N 3.47Å; Q598-R600 VanDerWaalsContact C-N 3.27Å; Q598-R600 PolarHBondContact O-N 3.24Å; R600-D602 VanDerWaalsContact C-N 3.32Å; R600-L614 HydrophobicContact CB-CD1 4.02Å |
| 601 | I | 95.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.5 | -73.4 | 165.8 | 0 | 0 | 0 | 110.2 | A597 Q598 L614 R615 N618 T663 L666 | A597-I601 VanDerWaalsContact O-CG1 3.31Å; A597-I601 WeakPolarHBondContact O-CG1 3.49Å; A597-I601 PolarHBondContact O-N 2.93Å; Q598-I601 WeakPolarHBondContact O-CB 3.34Å; Q598-I601 PolarHBondContact O-N 2.88Å; Q598-I601 VanDerWaalsContact O-N 3.09Å; I601-L614 HydrophobicContact CD1-CB 4.34Å; I601-L614 HydrophobicContact CG1-CB 3.82Å; I601-R615 HydrophobicContact CB-CG 4.5Å; I601-R615 HydrophobicContact CG2-CG 4.4Å; I601-N618 HydrophobicContact CD1-CB 4.06Å; I601-N618 HydrophobicContact CG2-CB 4.4Å; I601-N618 WeakPolarHBondContact CG2-ND2 3.39Å; I601-T663 HydrophobicContact CD1-CG2 3.58Å; I601-L666 HydrophobicContact CD1-CD1 4.04Å |
| 602 | D | 95.3 | Very high | 94.5 | Very high | 103 Ų | 103 | 74.4 Ų | 74.4 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -78.1 | -29 | -176 | -65.5 | -25.5 | 0 | 0 | 0 | 112.7 | Q598 A599 R600 R604 | Q598-D602 WeakPolarHBondContact CG-OD2 3.34Å; Q598-D602 VanDerWaalsContact NE2-CG 3.28Å; Q598-D602 PolarHBondContact NE2-OD1 3.32Å; Q598-D602 PolarHBondContact NE2-OD2 3.03Å; Q598-D602 VanDerWaalsContact O-CG 3.31Å; Q598-D602 PolarHBondContact O-N 2.98Å; A599-D602 PolarHBondContact O-N 3.32Å; R600-D602 VanDerWaalsContact C-N 3.32Å; D602-R604 PolarHBondContact O-N 2.93Å |
| 603 | D | 94.5 | Very high | 94.5 | Very high | 76 Ų | 76 | 74 Ų | 74 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | trans | -72.7 | 96.6 | 173.2 | -174.2 | 6.4 | 0 | 0 | 0 | 111.9 | A599 R605 A606 R615 | A599-D603 WeakPolarHBondContact O-CB 3.47Å; A599-D603 PolarHBondContact O-N 3.05Å; D603-R605 PolarHBondContact O-N 2.78Å; D603-R605 WeakPolarHBondContact OD1-CA 3.46Å; D603-R605 VanDerWaalsContact OD1-CB 3.31Å; D603-R605 WeakPolarHBondContact OD1-CB 3.36Å; D603-R605 PolarHBondContact OD1-N 2.92Å; D603-A606 HydrophobicContact CB-CB 4.27Å; D603-A606 PolarHBondContact O-N 3.09Å; D603-R615 PolarHBondContact O-NH1 3.01Å | ||
| 604 | R | 89.9 | Confident | 94.6 | Very high | 232 Ų | 232 | 72.4 Ų | 72.4 | 88% | 0.875 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.1 | 176 | -63 | -175.1 | -178.5 | -179.1 | 1 | 114 | D602 | D602-R604 PolarHBondContact O-N 2.93Š|
| 605 | R | 92 | Very high | 94.8 | Very high | 223 Ų | 223 | 73 Ų | 73 | 84% | 0.842 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -21.2 | 180 | -58 | 178.6 | -177.9 | 172.3 | 1.5 | 112.3 | D603 T607 | D603-R605 PolarHBondContact O-N 2.78Å; D603-R605 WeakPolarHBondContact OD1-CA 3.46Å; D603-R605 VanDerWaalsContact OD1-CB 3.31Å; D603-R605 WeakPolarHBondContact OD1-CB 3.36Å; D603-R605 PolarHBondContact OD1-N 2.92Å; R605-T607 PolarHBondContact O-N 2.9Å; R605-T607 VanDerWaalsContact O-N 3.12Å |
| 606 | A | 89.8 | Confident | 95 | Very high | 18 Ų | 18 | 67.2 Ų | 67.2 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | trans | -70.1 | 104.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D603 R615 | D603-A606 HydrophobicContact CB-CB 4.27Å; D603-A606 PolarHBondContact O-N 3.09Å; A606-R615 VanDerWaalsContact O-CZ 3.26Å; A606-R615 PolarHBondContact O-NH1 3.2Å; A606-R615 PolarHBondContact O-NH2 3.34Å | ||
| 607 | T | 91.7 | Very high | 95.1 | Very high | 112 Ų | 112 | 62.7 Ų | 62.7 | 69% | 0.687 | 30% | 0.298 | S | S | * | . | trans | -103.3 | 10.5 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | R605 I612 | R605-T607 PolarHBondContact O-N 2.9Å; R605-T607 VanDerWaalsContact O-N 3.12Å; T607-I612 WeakPolarHBondContact O-CD1 3.37Å | ||
| 608 | D | 94.9 | Very high | 95.2 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -65.5 | 154.3 | 174.2 | 68.2 | 92.5 | 0 | 0 | 0 | 111.1 | L610 S611 I612 | D608-L610 PolarHBondContact O-N 2.85Å; D608-L610 WeakPolarHBondContact OD1-CA 3.42Å; D608-L610 VanDerWaalsContact OD1-CB 3.29Å; D608-L610 WeakPolarHBondContact OD1-CB 3.45Å; D608-L610 PolarHBondContact OD1-N 3.3Å; D608-L610 VanDerWaalsContact OD1-N 3.13Å; D608-S611 VanDerWaalsContact CG-OG 3.3Å; D608-S611 PolarHBondContact O-N 3.23Å; D608-S611 PolarHBondContact OD1-N 2.84Å; D608-S611 PolarHBondContact OD1-OG 2.77Å; D608-S611 VanDerWaalsContact OD2-CB 3.25Å; D608-S611 WeakPolarHBondContact OD2-CB 3.32Å; D608-S611 PolarHBondContact OD2-OG 3.02Å; D608-I612 WeakPolarHBondContact O-CG1 3.36Å; D608-I612 PolarHBondContact O-N 2.71Å |
| 609 | Q | 94.6 | Very high | 95.2 | Very high | 143 Ų | 143 | 65.6 Ų | 65.6 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.6 | -31.4 | -175.3 | -72.1 | -175.6 | -17.5 | 0 | 0 | 112.9 | V478 S613 | V478-Q609 HydrophobicContact CG1-CB 4.46Å; V478-Q609 HydrophobicContact CG2-CB 3.98Å; V478-Q609 VanDerWaalsContact CG2-OE1 3.24Å; Q609-S613 VanDerWaalsContact O-CB 3.32Å; Q609-S613 WeakPolarHBondContact O-CB 3.24Å; Q609-S613 PolarHBondContact O-N 2.88Å |
| 610 | L | 95.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71 | -44.6 | 179.6 | 176.3 | 56.8 | 0 | 0 | 0 | 110.8 | V478 C480 A590 D608 I612 S613 L614 | V478-L610 HydrophobicContact CG1-CB 3.7Å; V478-L610 HydrophobicContact CG1-CD1 4.1Å; V478-L610 HydrophobicContact CG1-CG 4.45Å; C480-L610 HydrophobicContact CB-CD1 3.61Å; C480-L610 VanDerWaalsContact SG-CD1 3.52Å; A590-L610 HydrophobicContact CB-CD2 3.81Å; D608-L610 PolarHBondContact O-N 2.85Å; D608-L610 WeakPolarHBondContact OD1-CA 3.42Å; D608-L610 VanDerWaalsContact OD1-CB 3.29Å; D608-L610 WeakPolarHBondContact OD1-CB 3.45Å; D608-L610 PolarHBondContact OD1-N 3.3Å; D608-L610 VanDerWaalsContact OD1-N 3.13Å; L610-I612 VanDerWaalsContact C-N 3.33Å; L610-I612 PolarHBondContact O-N 2.68Å; L610-S613 WeakPolarHBondContact O-CB 3.42Å; L610-S613 PolarHBondContact O-N 3.11Å; L610-L614 HydrophobicContact CD1-CD1 4.44Å; L610-L614 HydrophobicContact CD1-CG 4.37Å; L610-L614 HydrophobicContact CG-CD1 4.43Å; L610-L614 WeakPolarHBondContact O-CG 3.19Å; L610-L614 PolarHBondContact O-N 2.65Å |
| 611 | S | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 174.2 | -61 | 0 | 0 | 0 | 0 | 112.6 | D608 R615 | D608-S611 VanDerWaalsContact CG-OG 3.3Å; D608-S611 PolarHBondContact O-N 3.23Å; D608-S611 PolarHBondContact OD1-N 2.84Å; D608-S611 PolarHBondContact OD1-OG 2.77Å; D608-S611 VanDerWaalsContact OD2-CB 3.25Å; D608-S611 WeakPolarHBondContact OD2-CB 3.32Å; D608-S611 PolarHBondContact OD2-OG 3.02Å; S611-R615 WeakPolarHBondContact O-CG 3.28Å; S611-R615 PolarHBondContact O-N 2.97Å |
| 612 | I | 95.7 | Very high | 95.6 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 173.2 | -66.1 | 168.6 | 0 | 0 | 0 | 110.8 | T607 D608 L610 L614 R615 N616 | T607-I612 WeakPolarHBondContact O-CD1 3.37Å; D608-I612 WeakPolarHBondContact O-CG1 3.36Å; D608-I612 PolarHBondContact O-N 2.71Å; L610-I612 VanDerWaalsContact C-N 3.33Å; L610-I612 PolarHBondContact O-N 2.68Å; I612-L614 PolarHBondContact O-N 3.37Å; I612-R615 PolarHBondContact O-N 3.49Å; I612-N616 VanDerWaalsContact O-CG 3.32Å; I612-N616 PolarHBondContact O-N 3.03Å; I612-N616 PolarHBondContact O-ND2 3.47Å |
| 613 | S | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.1 | -51.4 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | C496 Q609 L610 R615 N616 L617 | C496-S613 PolarHBondContact N-OG 2.81Å; Q609-S613 VanDerWaalsContact O-CB 3.32Å; Q609-S613 WeakPolarHBondContact O-CB 3.24Å; Q609-S613 PolarHBondContact O-N 2.88Å; L610-S613 WeakPolarHBondContact O-CB 3.42Å; L610-S613 PolarHBondContact O-N 3.11Å; S613-R615 PolarHBondContact O-N 3.33Å; S613-N616 PolarHBondContact O-N 2.81Å; S613-L617 WeakPolarHBondContact O-CB 3.45Å; S613-L617 VanDerWaalsContact O-CG 3.3Å; S613-L617 WeakPolarHBondContact O-CG 3.16Å; S613-L617 PolarHBondContact O-N 3.22Å |
| 614 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 178.9 | -72.2 | 172.7 | 0 | 0 | 0 | 113.1 | I482 L592 R600 I601 L610 I612 L617 N618 | I482-L614 HydrophobicContact CD1-CD2 3.6Å; I482-L614 HydrophobicContact CG1-CD2 4.42Å; L592-L614 HydrophobicContact CD1-CD1 3.93Å; R600-L614 HydrophobicContact CB-CD1 4.02Å; I601-L614 HydrophobicContact CD1-CB 4.34Å; I601-L614 HydrophobicContact CG1-CB 3.82Å; L610-L614 HydrophobicContact CD1-CD1 4.44Å; L610-L614 HydrophobicContact CD1-CG 4.37Å; L610-L614 HydrophobicContact CG-CD1 4.43Å; L610-L614 WeakPolarHBondContact O-CG 3.19Å; L610-L614 PolarHBondContact O-N 2.65Å; I612-L614 PolarHBondContact O-N 3.37Å; L614-L617 PolarHBondContact O-N 2.98Å; L614-N618 WeakPolarHBondContact O-CB 3.47Å; L614-N618 PolarHBondContact O-N 3.34Å |
| 615 | R | 97.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 51 Ų | 51 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 177.3 | -75.7 | -173.5 | -64.9 | -107.2 | -1.8 | 112.4 | I601 D603 A606 S611 I612 S613 N618 M619 | I601-R615 HydrophobicContact CB-CG 4.5Å; I601-R615 HydrophobicContact CG2-CG 4.4Å; D603-R615 PolarHBondContact O-NH1 3.01Å; A606-R615 VanDerWaalsContact O-CZ 3.26Å; A606-R615 PolarHBondContact O-NH1 3.2Å; A606-R615 PolarHBondContact O-NH2 3.34Å; S611-R615 WeakPolarHBondContact O-CG 3.28Å; S611-R615 PolarHBondContact O-N 2.97Å; I612-R615 PolarHBondContact O-N 3.49Å; S613-R615 PolarHBondContact O-N 3.33Å; R615-N618 PolarHBondContact O-N 3.4Å; R615-M619 WeakPolarHBondContact O-CB 3.5Å; R615-M619 PolarHBondContact O-N 3.49Å |
| 616 | N | 97.2 | Very high | 96.3 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 176.3 | -68.4 | -26.1 | 0 | 0 | 0 | 111.3 | C496 F504 I612 S613 N618 M619 L620 | C496-N616 HydrophobicContact CB-CB 4.3Å; C496-N616 VanDerWaalsContact SG-CB 3.53Å; F504-N616 HydrophobicContact CD1-CB 4.32Å; F504-N616 HydrophobicContact CE1-CB 4.15Å; I612-N616 VanDerWaalsContact O-CG 3.32Å; I612-N616 PolarHBondContact O-N 3.03Å; I612-N616 PolarHBondContact O-ND2 3.47Å; S613-N616 PolarHBondContact O-N 2.81Å; N616-N618 VanDerWaalsContact C-N 3.34Å; N616-N618 PolarHBondContact O-N 2.82Å; N616-M619 PolarHBondContact O-N 2.85Å; N616-L620 WeakPolarHBondContact O-CG 3.34Å; N616-L620 PolarHBondContact O-N 2.66Å |
| 617 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.1 | -49.9 | 171.7 | -73.1 | 168.9 | 0 | 0 | 0 | 110.5 | L494 C496 V506 S613 L614 M619 L620 A621 L666 F670 | L494-L617 HydrophobicContact CB-CD1 3.97Å; C496-L617 HydrophobicContact CB-CD1 4.43Å; C496-L617 HydrophobicContact CB-CD2 3.75Å; C496-L617 HydrophobicContact CB-CG 3.63Å; V506-L617 HydrophobicContact CG1-CD2 3.92Å; S613-L617 WeakPolarHBondContact O-CB 3.45Å; S613-L617 VanDerWaalsContact O-CG 3.3Å; S613-L617 WeakPolarHBondContact O-CG 3.16Å; S613-L617 PolarHBondContact O-N 3.22Å; L614-L617 PolarHBondContact O-N 2.98Å; L617-M619 PolarHBondContact O-N 2.77Å; L617-L620 PolarHBondContact O-N 3.41Å; L617-A621 VanDerWaalsContact O-CB 3.31Å; L617-A621 WeakPolarHBondContact O-CB 3.24Å; L617-A621 PolarHBondContact O-N 3.23Å; L617-L666 HydrophobicContact CB-CD1 3.86Å; L617-L666 HydrophobicContact CB-CD2 4.18Å; L617-L666 HydrophobicContact CB-CG 4.12Å; L617-F670 HydrophobicContact CB-CE2 3.83Å; L617-F670 HydrophobicContact CB-CZ 4.42Å; L617-F670 HydrophobicContact CD2-CD2 3.97Å; L617-F670 HydrophobicContact CD2-CE1 4.24Å; L617-F670 HydrophobicContact CD2-CE2 3.41Å; L617-F670 VanDerWaalsContact CD2-CE2 3.41Å; L617-F670 HydrophobicContact CD2-CZ 3.56Å; L617-F670 HydrophobicContact CG-CE2 4.23Å; L617-F670 WeakPolarHBondContact O-CE2 3.35Å |
| 618 | N | 97.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 179.7 | -165.7 | 26.7 | 0 | 0 | 0 | 112.5 | I601 L614 R615 N616 L620 A621 K622 L666 | I601-N618 HydrophobicContact CD1-CB 4.06Å; I601-N618 HydrophobicContact CG2-CB 4.4Å; I601-N618 WeakPolarHBondContact CG2-ND2 3.39Å; L614-N618 WeakPolarHBondContact O-CB 3.47Å; L614-N618 PolarHBondContact O-N 3.34Å; R615-N618 PolarHBondContact O-N 3.4Å; N616-N618 VanDerWaalsContact C-N 3.34Å; N616-N618 PolarHBondContact O-N 2.82Å; N618-L620 PolarHBondContact O-N 2.97Å; N618-A621 PolarHBondContact O-N 3.29Å; N618-K622 WeakPolarHBondContact O-CG 3.34Å; N618-K622 PolarHBondContact O-N 3.04Å; N618-L666 HydrophobicContact CB-CD1 3.8Å |
| 619 | M | 97.4 | Very high | 96.7 | Very high | 67 Ų | 67 | 46.5 Ų | 46.5 | 33% | 0.33 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 176.4 | 176.7 | -163.4 | 60 | 0 | 0 | 111.5 | F504 R615 N616 L617 | F504-M619 HydrophobicContact CE1-CE 4.49Å; F504-M619 HydrophobicContact CE2-CE 3.97Å; F504-M619 HydrophobicContact CZ-CE 3.78Å; R615-M619 WeakPolarHBondContact O-CB 3.5Å; R615-M619 PolarHBondContact O-N 3.49Å; N616-M619 PolarHBondContact O-N 2.85Å; L617-M619 PolarHBondContact O-N 2.77Å |
| 620 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.3 | -42.8 | 179.7 | -68.6 | 173.6 | 0 | 0 | 0 | 111.3 | F504 V506 I570 A574 N616 L617 N618 K622 K623 L624 F670 | F504-L620 HydrophobicContact CB-CD1 4.2Å; F504-L620 HydrophobicContact CD2-CD1 4.23Å; F504-L620 HydrophobicContact CD2-CD2 4.37Å; F504-L620 HydrophobicContact CG-CD1 4.17Å; V506-L620 HydrophobicContact CG2-CD1 3.87Å; I570-L620 HydrophobicContact CG2-CD1 4.35Å; I570-L620 HydrophobicContact CG2-CD2 4.11Å; A574-L620 HydrophobicContact CB-CD2 4.05Å; N616-L620 WeakPolarHBondContact O-CG 3.34Å; N616-L620 PolarHBondContact O-N 2.66Å; L617-L620 PolarHBondContact O-N 3.41Å; N618-L620 PolarHBondContact O-N 2.97Å; L620-K622 VanDerWaalsContact C-N 3.33Å; L620-K622 PolarHBondContact O-N 2.8Å; L620-K623 WeakPolarHBondContact O-CA 3.23Å; L620-K623 WeakPolarHBondContact O-CB 3.24Å; L620-K623 PolarHBondContact O-N 2.85Å; L620-L624 WeakPolarHBondContact O-CG 3.47Å; L620-L624 PolarHBondContact O-N 3.02Å; L620-F670 HydrophobicContact CB-CZ 4.01Å |
| 621 | A | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L617 N618 K623 L624 K625 L666 E669 F670 | L617-A621 VanDerWaalsContact O-CB 3.31Å; L617-A621 WeakPolarHBondContact O-CB 3.24Å; L617-A621 PolarHBondContact O-N 3.23Å; N618-A621 PolarHBondContact O-N 3.29Å; A621-K623 PolarHBondContact O-N 3.09Å; A621-L624 PolarHBondContact O-N 3.12Å; A621-K625 WeakPolarHBondContact O-CB 3.45Å; A621-K625 PolarHBondContact O-N 2.8Å; A621-L666 HydrophobicContact CB-CB 4.26Å; A621-L666 HydrophobicContact CB-CG 4.33Å; A621-E669 HydrophobicContact CB-CB 4.17Å; A621-E669 HydrophobicContact CB-CG 4.36Å; A621-F670 HydrophobicContact CB-CE2 4.04Å |
| 622 | K | 97.9 | Very high | 96.4 | Very high | 104 Ų | 104 | 48.7 Ų | 48.7 | 45% | 0.452 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58 | -36.3 | 174.5 | -74.7 | 178.8 | 179.7 | -173.2 | 0 | 112.5 | N618 L620 K626 D662 | N618-K622 WeakPolarHBondContact O-CG 3.34Å; N618-K622 PolarHBondContact O-N 3.04Å; L620-K622 VanDerWaalsContact C-N 3.33Å; L620-K622 PolarHBondContact O-N 2.8Å; K622-K626 WeakPolarHBondContact O-CB 3.39Å; K622-K626 PolarHBondContact O-N 3.4Å; K622-K626 VanDerWaalsContact O-N 3.13Å; K622-D662 WeakPolarHBondContact CE-OD2 3.44Å; K622-D662 IonicContact NZ-OD2 3.89Å; K622-D662 PolarHBondContact NZ-OD2 3.34Å |
| 623 | K | 98.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74 | -43.1 | 176.6 | -64.4 | 178.2 | -173.4 | -177.9 | 0 | 111.7 | K572 A574 L620 A621 K626 K627 | K572-K623 PolarHBondContact O-NZ 3.15Å; A574-K623 HydrophobicContact CB-CB 3.75Å; L620-K623 WeakPolarHBondContact O-CA 3.23Å; L620-K623 WeakPolarHBondContact O-CB 3.24Å; L620-K623 PolarHBondContact O-N 2.85Å; A621-K623 PolarHBondContact O-N 3.09Å; K623-K626 PolarHBondContact O-N 3.24Å; K623-K627 WeakPolarHBondContact O-CG 3.44Å; K623-K627 PolarHBondContact O-N 2.95Å |
| 624 | L | 97.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -50.2 | 174.3 | -68.7 | 172.6 | 0 | 0 | 0 | 111.1 | A574 L620 A621 K626 K627 R628 E669 F670 L673 | A574-L624 HydrophobicContact CB-CD2 3.96Å; A574-L624 HydrophobicContact CB-CG 4.02Å; L620-L624 WeakPolarHBondContact O-CG 3.47Å; L620-L624 PolarHBondContact O-N 3.02Å; A621-L624 PolarHBondContact O-N 3.12Å; L624-K626 VanDerWaalsContact C-N 3.3Å; L624-K626 PolarHBondContact O-N 2.82Å; L624-K627 PolarHBondContact O-N 3.46Å; L624-K627 VanDerWaalsContact O-N 3.15Å; L624-R628 WeakPolarHBondContact O-CB 3.29Å; L624-R628 PolarHBondContact O-N 3Å; L624-E669 HydrophobicContact CB-CB 4.09Å; L624-E669 HydrophobicContact CB-CG 4.35Å; L624-E669 HydrophobicContact CD1-CB 4.28Å; L624-F670 HydrophobicContact CD1-CD1 4.3Å; L624-F670 HydrophobicContact CD1-CE1 3.97Å; L624-F670 HydrophobicContact CD1-CZ 4.39Å; L624-L673 HydrophobicContact CD1-CD2 4.28Å |
| 625 | K | 95.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.9 | -42.9 | 175.8 | -174.3 | 170.1 | -164.5 | 163.9 | 0 | 112.6 | A621 R628 R629 S665 E669 | A621-K625 WeakPolarHBondContact O-CB 3.45Å; A621-K625 PolarHBondContact O-N 2.8Å; K625-R628 PolarHBondContact O-N 3.08Å; K625-R629 WeakPolarHBondContact O-CG 3.41Å; K625-R629 PolarHBondContact O-N 2.62Å; K625-S665 VanDerWaalsContact CD-OG 3.27Å; K625-S665 WeakPolarHBondContact CD-OG 3.45Å; K625-S665 PolarHBondContact NZ-OG 3.39Å; K625-E669 HydrophobicContact CB-CG 3.91Å; K625-E669 VanDerWaalsContact CB-OE1 3.32Å; K625-E669 WeakPolarHBondContact CB-OE1 3.11Å; K625-E669 WeakPolarHBondContact CG-OE1 3.46Å; K625-E669 PolarHBondContact N-OE2 3.26Å |
| 626 | K | 96 | Very high | 94.7 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 47% | 0.47 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -50 | 176.8 | 175.3 | 162.8 | 171 | 39.8 | 0 | 111 | K622 K623 L624 R628 R629 D630 | K622-K626 WeakPolarHBondContact O-CB 3.39Å; K622-K626 PolarHBondContact O-N 3.4Å; K622-K626 VanDerWaalsContact O-N 3.13Å; K623-K626 PolarHBondContact O-N 3.24Å; L624-K626 VanDerWaalsContact C-N 3.3Å; L624-K626 PolarHBondContact O-N 2.82Å; K626-R628 VanDerWaalsContact C-N 3.31Å; K626-R628 PolarHBondContact O-N 2.79Å; K626-R629 PolarHBondContact O-N 3.41Å; K626-D630 WeakPolarHBondContact CG-OD2 3.34Å; K626-D630 VanDerWaalsContact NZ-CG 3.28Å; K626-D630 IonicContact NZ-OD1 3.07Å; K626-D630 PolarHBondContact NZ-OD1 3.01Å; K626-D630 IonicContact NZ-OD2 2.6Å; K626-D630 PolarHBondContact NZ-OD2 3.04Å; K626-D630 WeakPolarHBondContact O-CB 3.22Å; K626-D630 PolarHBondContact O-N 2.77Å |
| 627 | K | 95.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.4 | -45 | 177.1 | -69.7 | 179.9 | -175.2 | 176.4 | 0 | 111.8 | N573 A574 N575 K623 L624 R629 D630 N631 | N573-K627 WeakPolarHBondContact O-CE 3.41Å; N573-K627 PolarHBondContact O-NZ 3.39Å; A574-K627 PolarHBondContact O-NZ 2.84Å; N575-K627 PolarHBondContact OD1-NZ 3.02Å; K623-K627 WeakPolarHBondContact O-CG 3.44Å; K623-K627 PolarHBondContact O-N 2.95Å; L624-K627 PolarHBondContact O-N 3.46Å; L624-K627 VanDerWaalsContact O-N 3.15Å; K627-R629 PolarHBondContact O-N 3.32Å; K627-D630 PolarHBondContact O-N 2.8Å; K627-N631 WeakPolarHBondContact O-CB 3.14Å; K627-N631 VanDerWaalsContact O-CG 3.22Å; K627-N631 PolarHBondContact O-N 3.43Å |
| 628 | R | 95.2 | Very high | 92.8 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 178.6 | -175.7 | 167.8 | 70.1 | 104.1 | -6.6 | 112.2 | L624 K625 K626 N631 G632 A633 E668 E669 | L624-R628 WeakPolarHBondContact O-CB 3.29Å; L624-R628 PolarHBondContact O-N 3Å; K625-R628 PolarHBondContact O-N 3.08Å; K626-R628 VanDerWaalsContact C-N 3.31Å; K626-R628 PolarHBondContact O-N 2.79Å; R628-N631 PolarHBondContact O-N 3.37Å; R628-G632 PolarHBondContact O-N 2.94Å; R628-A633 HydrophobicContact CB-CB 4.42Å; R628-A633 HydrophobicContact CG-CB 3.36Å; R628-A633 WeakPolarHBondContact O-CB 3.18Å; R628-A633 PolarHBondContact O-N 2.89Å; R628-E668 IonicContact CZ-OE1 3.48Å; R628-E668 IonicContact NH1-OE1 2.65Å; R628-E668 IonicContact NH2-OE1 3.97Å; R628-E668 PolarHBondContact NH2-OE1 3.07Å; R628-E669 IonicContact CZ-OE1 3.28Å; R628-E669 IonicContact CZ-OE2 3.13Å; R628-E669 IonicContact NE-OE1 3.17Å; R628-E669 PolarHBondContact NE-OE1 3.1Å; R628-E669 IonicContact NE-OE2 2.71Å; R628-E669 PolarHBondContact NE-OE2 3.05Å; R628-E669 IonicContact NH2-OE1 3.41Å; R628-E669 PolarHBondContact NH2-OE1 2.81Å; R628-E669 IonicContact NH2-OE2 3.5Å |
| 629 | R | 93.6 | Very high | 91.5 | Very high | 121 Ų | 121 | 54.4 Ų | 54.4 | 46% | 0.457 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 173 | -73.7 | -172.7 | -64.3 | -174.3 | 0.7 | 112.9 | K625 K626 K627 N631 G632 K724 | K625-R629 WeakPolarHBondContact O-CG 3.41Å; K625-R629 PolarHBondContact O-N 2.62Å; K626-R629 PolarHBondContact O-N 3.41Å; K627-R629 PolarHBondContact O-N 3.32Å; R629-N631 PolarHBondContact O-N 3.2Å; R629-G632 PolarHBondContact O-N 3.49Å; R629-K724 WeakPolarHBondContact O-CD 3.09Å |
| 630 | D | 94.1 | Very high | 90.3 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -32.7 | 177.5 | -65.7 | -21.3 | 0 | 0 | 0 | 111.2 | K626 K627 G632 K724 | K626-D630 WeakPolarHBondContact CG-OD2 3.34Å; K626-D630 VanDerWaalsContact NZ-CG 3.28Å; K626-D630 IonicContact NZ-OD1 3.07Å; K626-D630 PolarHBondContact NZ-OD1 3.01Å; K626-D630 IonicContact NZ-OD2 2.6Å; K626-D630 PolarHBondContact NZ-OD2 3.04Å; K626-D630 WeakPolarHBondContact O-CB 3.22Å; K626-D630 PolarHBondContact O-N 2.77Å; K627-D630 PolarHBondContact O-N 2.8Å; D630-G632 VanDerWaalsContact C-N 3.26Å; D630-G632 PolarHBondContact O-N 3.02Å; D630-K724 WeakPolarHBondContact O-CE 3.5Å |
| 631 | N | 93.2 | Very high | 89.4 | Confident | 121 Ų | 121 | 57 Ų | 57 | 65% | 0.647 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -4.2 | 173.8 | -68.3 | -9.3 | 0 | 0 | 0 | 114.2 | K627 R628 R629 A775 | K627-N631 WeakPolarHBondContact O-CB 3.14Å; K627-N631 VanDerWaalsContact O-CG 3.22Å; K627-N631 PolarHBondContact O-N 3.43Å; R628-N631 PolarHBondContact O-N 3.37Å; R629-N631 PolarHBondContact O-N 3.2Å; N631-A775 HydrophobicContact CB-CB 4.32Å; N631-A775 WeakPolarHBondContact O-CB 3.41Å |
| 632 | G | 93 | Very high | 88.3 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | 17.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R628 R629 D630 G723 | R628-G632 PolarHBondContact O-N 2.94Å; R629-G632 PolarHBondContact O-N 3.49Å; D630-G632 VanDerWaalsContact C-N 3.26Å; D630-G632 PolarHBondContact O-N 3.02Å; G632-G723 CarbonylContact O-C 3.54Å |
| 633 | A | 92.5 | Very high | 87.3 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | trans | -64.1 | 139.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R628 A775 | R628-A633 HydrophobicContact CB-CB 4.42Å; R628-A633 HydrophobicContact CG-CB 3.36Å; R628-A633 WeakPolarHBondContact O-CB 3.18Å; R628-A633 PolarHBondContact O-N 2.89Å; A633-A775 HydrophobicContact CB-CB 4.1Å | ||
| 634 | L | 89.1 | Confident | 86.2 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | trans | -92.9 | 124.7 | -173.4 | -62.4 | 177.4 | 0 | 0 | 0 | 110.5 | L636 G723 L726 A727 M753 F772 G773 | L634-L636 HydrophobicContact CB-CD2 4.31Å; L634-L636 HydrophobicContact CB-CG 4.06Å; L634-G723 VanDerWaalsContact CD2-O 3.25Å; L634-G723 WeakPolarHBondContact CD2-O 3.37Å; L634-L726 HydrophobicContact CD1-CD2 4.11Å; L634-L726 HydrophobicContact CD2-CB 4.32Å; L634-L726 HydrophobicContact CD2-CD2 4.2Å; L634-L726 HydrophobicContact CD2-CG 4.27Å; L634-A727 HydrophobicContact CD2-CB 4.02Å; L634-M753 HydrophobicContact CD1-CE 3.94Å; L634-M753 HydrophobicContact CD1-SD 4.04Å; L634-F772 HydrophobicContact CD1-CD1 3.99Å; L634-F772 HydrophobicContact CD1-CE1 3.49Å; L634-F772 VanDerWaalsContact CD1-CE1 3.49Å; L634-F772 HydrophobicContact CD1-CZ 4.12Å; L634-G773 PolarHBondContact N-O 3.4Å | ||
| 635 | T | 85.4 | Confident | 85 | Confident | 77 Ų | 77 | 60 Ų | 60 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | trans | -98.7 | 91.1 | 165.5 | -52.4 | 0 | 0 | 0 | 0 | 108.3 | R746 | T635-R746 PolarHBondContact O-NH1 3.33Š| ||
| 636 | L | 84.5 | Confident | 83.4 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | trans | -95 | 168.8 | 175.6 | -52.4 | 177.8 | 0 | 0 | 0 | 110.4 | L634 L730 A749 T750 M753 | L634-L636 HydrophobicContact CB-CD2 4.31Å; L634-L636 HydrophobicContact CB-CG 4.06Å; L636-L730 HydrophobicContact CD2-CD1 4.03Å; L636-A749 HydrophobicContact CD2-CB 4.07Å; L636-T750 VanDerWaalsContact CB-OG1 3.23Å; L636-T750 WeakPolarHBondContact CB-OG1 3.5Å; L636-M753 HydrophobicContact CD1-CE 3.8Å; L636-M753 HydrophobicContact CD1-CG 3.66Å; L636-M753 HydrophobicContact CD1-SD 4.17Å | ||
| 637 | A | 79.4 | Confident | 81.5 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | trans | -107.6 | 142.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T743 R746 I747 T750 | A637-T743 HydrophobicContact CB-CG2 4.01Å; A637-R746 HydrophobicContact CB-CB 3.7Å; A637-I747 HydrophobicContact CB-CG1 3.96Å; A637-T750 PolarHBondContact O-OG1 2.97Å | ||
| 638 | S | 74.8 | Confident | 79.5 | Confident | 72 Ų | 72 | 64.5 Ų | 64.5 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | trans | -128.5 | 153.8 | 165.9 | 49.8 | 0 | 0 | 0 | 0 | 108.2 | E640 | S638-E640 PolarHBondContact O-N 2.96Å; S638-E640 PolarHBondContact OG-OE1 3.28Å | ||
| 639 | L | 71.8 | Confident | 78 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | trans | -85.7 | 99.4 | 171.6 | -58.5 | 153.7 | 0 | 0 | 0 | 106.7 | Y740 I747 L870 | L639-Y740 WeakPolarHBondContact CD2-OH 3.1Å; L639-I747 HydrophobicContact CD1-CD1 4.38Å; L639-I747 HydrophobicContact CD2-CD1 3.83Å; L639-I747 HydrophobicContact CG-CD1 3.95Å; L639-L870 HydrophobicContact CD1-CD1 3.26Å; L639-L870 HydrophobicContact CD2-CD1 4.2Å; L639-L870 HydrophobicContact CG-CD1 4.33Å | ||
| 640 | E | 72.9 | Confident | 76.7 | Confident | 96 Ų | 96 | 64.1 Ų | 64.1 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | trans | -103.5 | 108.2 | 173.1 | -71 | -174.7 | -167.9 | 0 | 0 | 109.1 | S638 K658 | S638-E640 PolarHBondContact O-N 2.96Å; S638-E640 PolarHBondContact OG-OE1 3.28Å; E640-K658 HydrophobicContact CB-CB 4.21Å; E640-K658 HydrophobicContact CB-CD 4.31Å; E640-K658 PolarHBondContact O-N 2.6Å; E640-K658 WeakPolarHBondContact OE2-CD 3.5Å; E640-K658 IonicContact OE2-NZ 2.82Å; E640-K658 PolarHBondContact OE2-NZ 2.87Å | ||
| 641 | I | 78 | Confident | 75.8 | Confident | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 150.8 | 173 | 57 | 158.2 | 0 | 0 | 0 | 110.7 | F643 V655 V840 Y874 | I641-F643 HydrophobicContact CD1-CE2 3.84Å; I641-F643 HydrophobicContact CD1-CZ 3.8Å; I641-V655 HydrophobicContact CB-CG1 3.98Å; I641-V655 HydrophobicContact CD1-CG1 3.87Å; I641-V655 HydrophobicContact CG2-CG1 4.34Å; I641-V840 HydrophobicContact CD1-CG1 3.57Å; I641-V840 HydrophobicContact CG1-CG1 3.86Å; I641-Y874 WeakPolarHBondContact CD1-O 3.49Å |
| 642 | R | 75.3 | Confident | 74.9 | Confident | 115 Ų | 115 | 58.7 Ų | 58.7 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.8 | 171.9 | -74 | -171.6 | 171.5 | -165.5 | -5.5 | 109.5 | V655 M656 | R642-V655 WeakPolarHBondContact O-CA 3.27Å; R642-M656 PolarHBondContact N-O 2.9Å; R642-M656 PolarHBondContact O-N 3.24Å |
| 643 | F | 78.1 | Confident | 74 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 10% | 0.101 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.9 | 172.2 | -64.8 | -92.8 | 0 | 0 | 0 | 109.5 | V537 I641 L645 P652 D654 V655 V840 N843 | V537-F643 HydrophobicContact CB-CD2 4.34Å; V537-F643 HydrophobicContact CG1-CB 3.69Å; V537-F643 HydrophobicContact CG1-CD2 3.56Å; V537-F643 HydrophobicContact CG1-CE2 4.46Å; V537-F643 HydrophobicContact CG1-CG 3.81Å; V537-F643 HydrophobicContact CG2-CD2 3.74Å; V537-F643 HydrophobicContact CG2-CE2 3.97Å; I641-F643 HydrophobicContact CD1-CE2 3.84Å; I641-F643 HydrophobicContact CD1-CZ 3.8Å; F643-L645 HydrophobicContact CB-CD2 3.94Å; F643-P652 HydrophobicContact CB-CB 4.35Å; F643-P652 HydrophobicContact CD1-CB 3.55Å; F643-P652 HydrophobicContact CD1-CG 4.43Å; F643-P652 HydrophobicContact CE1-CB 4.3Å; F643-P652 HydrophobicContact CG-CB 4.32Å; F643-D654 WeakPolarHBondContact CA-O 3.37Å; F643-V655 HydrophobicContact CD1-CG2 3.54Å; F643-V655 HydrophobicContact CE1-CG1 4.36Å; F643-V655 HydrophobicContact CE1-CG2 3.43Å; F643-V655 VanDerWaalsContact CE1-CG2 3.43Å; F643-V655 HydrophobicContact CZ-CG2 4.36Å; F643-V840 HydrophobicContact CE2-CB 4.34Å; F643-V840 HydrophobicContact CE2-CG1 4.04Å; F643-V840 HydrophobicContact CE2-CG2 4.36Å; F643-V840 HydrophobicContact CZ-CG1 4.44Å; F643-N843 HydrophobicContact CD1-CB 4.18Å; F643-N843 HydrophobicContact CD2-CB 4.24Å; F643-N843 HydrophobicContact CE1-CB 3.94Å; F643-N843 HydrophobicContact CE2-CB 4.01Å; F643-N843 HydrophobicContact CG-CB 4.33Å; F643-N843 HydrophobicContact CZ-CB 3.85Å |
| 644 | N | 73.2 | Confident | 73.3 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.2 | 161.5 | -65.2 | -30.4 | 0 | 0 | 0 | 106.9 | I653 D654 | N644-I653 PolarHBondContact O-N 3.39Å; N644-D654 HydrophobicContact CB-CB 4.2Å; N644-D654 PolarHBondContact N-O 2.92Å; N644-D654 PolarHBondContact O-N 3.25Å |
| 645 | L | 72.5 | Confident | 72.7 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 146.9 | -178.7 | -55 | -178.8 | 0 | 0 | 0 | 110.1 | V537 D538 F643 D651 P652 | V537-L645 HydrophobicContact CG1-CD1 4.36Å; V537-L645 HydrophobicContact CG1-CD2 4.07Å; D538-L645 HydrophobicContact CB-CD1 3.87Å; F643-L645 HydrophobicContact CB-CD2 3.94Å; L645-D651 CarbonylContact C-O 3.59Å; L645-D651 WeakPolarHBondContact CA-O 3.36Å; L645-P652 HydrophobicContact CD2-CB 3.95Å |
| 646 | D | 62.9 | Low | 72.2 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 142 | 167.8 | -175.1 | 58.7 | 0 | 0 | 0 | 110.8 | E648 S649 H650 D651 I653 | D646-E648 VanDerWaalsContact C-N 3.33Å; D646-E648 PolarHBondContact O-N 2.92Å; D646-E648 PolarHBondContact OD2-N 2.84Å; D646-S649 WeakPolarHBondContact CB-OG 3.46Å; D646-S649 VanDerWaalsContact CG-OG 3.24Å; D646-S649 WeakPolarHBondContact OD2-CB 3.47Å; D646-S649 PolarHBondContact OD2-N 3.33Å; D646-S649 PolarHBondContact OD2-OG 2.86Å; D646-H650 WeakPolarHBondContact O-CA 3.39Å; D646-H650 PolarHBondContact O-N 3.4Å; D646-H650 VanDerWaalsContact O-N 3.08Å; D646-D651 PolarHBondContact N-O 2.93Å; D646-I653 HydrophobicContact CB-CD1 3.55Å; D646-I653 HydrophobicContact CB-CG1 3.84Å |
| 647 | S | 55.3 | Low | 71.5 | Confident | 103 Ų | 103 | 68 Ų | 68 | 72% | 0.72 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -23.8 | -175.8 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 648 | E | 55 | Low | 71.2 | Confident | 174 Ų | 174 | 70.8 Ų | 70.8 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -55 | -177.8 | -65.4 | -168.8 | 166.6 | 0 | 0 | 111.9 | D646 H650 | D646-E648 VanDerWaalsContact C-N 3.33Å; D646-E648 PolarHBondContact O-N 2.92Å; D646-E648 PolarHBondContact OD2-N 2.84Å; E648-H650 VanDerWaalsContact C-N 3.34Å |
| 649 | S | 63.4 | Low | 71 | Confident | 59 Ų | 59 | 75 Ų | 75 | 41% | 0.413 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.2 | 179.3 | 60.8 | 0 | 0 | 0 | 0 | 113 | D646 D651 | D646-S649 WeakPolarHBondContact CB-OG 3.46Å; D646-S649 VanDerWaalsContact CG-OG 3.24Å; D646-S649 WeakPolarHBondContact OD2-CB 3.47Å; D646-S649 PolarHBondContact OD2-N 3.33Å; D646-S649 PolarHBondContact OD2-OG 2.86Å; S649-D651 PolarHBondContact O-N 3.4Å; S649-D651 VanDerWaalsContact O-N 3.09Å |
| 650 | H | 66.8 | Low | 71.4 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | trans | 55.7 | 18 | -172.1 | -63.8 | -71.3 | 0 | 0 | 0 | 114.6 | D646 E648 | D646-H650 WeakPolarHBondContact O-CA 3.39Å; D646-H650 PolarHBondContact O-N 3.4Å; D646-H650 VanDerWaalsContact O-N 3.08Å; E648-H650 VanDerWaalsContact C-N 3.34Å | ||
| 651 | D | 75 | Confident | 72.1 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | trans | -76.8 | 146.8 | 172.2 | -79.6 | -27.1 | 0 | 0 | 0 | 110.6 | L645 D646 S649 I653 | L645-D651 CarbonylContact C-O 3.59Å; L645-D651 WeakPolarHBondContact CA-O 3.36Å; D646-D651 PolarHBondContact N-O 2.93Å; S649-D651 PolarHBondContact O-N 3.4Å; S649-D651 VanDerWaalsContact O-N 3.09Å; D651-I653 PolarHBondContact O-N 3.13Å | ||
| 652 | P | 73.3 | Confident | 72.7 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 118.7 | 176.8 | 26.8 | -32.8 | 0 | 0 | 0 | 111.3 | F643 L645 N843 L846 F847 | F643-P652 HydrophobicContact CB-CB 4.35Å; F643-P652 HydrophobicContact CD1-CB 3.55Å; F643-P652 HydrophobicContact CD1-CG 4.43Å; F643-P652 HydrophobicContact CE1-CB 4.3Å; F643-P652 HydrophobicContact CG-CB 4.32Å; L645-P652 HydrophobicContact CD2-CB 3.95Å; P652-N843 WeakPolarHBondContact CG-O 3.39Å; P652-L846 HydrophobicContact CG-CB 4.16Å; P652-F847 HydrophobicContact CB-CB 4.27Å; P652-F847 HydrophobicContact CB-CD2 4.11Å; P652-F847 HydrophobicContact CG-CB 3.83Å; P652-F847 HydrophobicContact CG-CD2 4.42Å; P652-F847 WeakPolarHBondContact O-CD2 3.49Å |
| 653 | I | 75.4 | Confident | 73.5 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 47% | 0.467 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -37.5 | 176.5 | -58.8 | 168.5 | 0 | 0 | 0 | 110.9 | N644 D646 D651 F847 | N644-I653 PolarHBondContact O-N 3.39Å; D646-I653 HydrophobicContact CB-CD1 3.55Å; D646-I653 HydrophobicContact CB-CG1 3.84Å; D651-I653 PolarHBondContact O-N 3.13Å; I653-F847 WeakPolarHBondContact O-CE2 3.41Å |
| 654 | D | 77.9 | Confident | 74.2 | Confident | 65 Ų | 65 | 72 Ų | 72 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154 | -175 | -171.6 | 28.3 | 0 | 0 | 0 | 112.4 | F643 N644 M656 | F643-D654 WeakPolarHBondContact CA-O 3.37Å; N644-D654 HydrophobicContact CB-CB 4.2Å; N644-D654 PolarHBondContact N-O 2.92Å; N644-D654 PolarHBondContact O-N 3.25Å; D654-M656 WeakPolarHBondContact OD2-CG 3.32Å |
| 655 | V | 76.6 | Confident | 75.2 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.4 | 177.6 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | I641 R642 F643 F847 Y874 | I641-V655 HydrophobicContact CB-CG1 3.98Å; I641-V655 HydrophobicContact CD1-CG1 3.87Å; I641-V655 HydrophobicContact CG2-CG1 4.34Å; R642-V655 WeakPolarHBondContact O-CA 3.27Å; F643-V655 HydrophobicContact CD1-CG2 3.54Å; F643-V655 HydrophobicContact CE1-CG1 4.36Å; F643-V655 HydrophobicContact CE1-CG2 3.43Å; F643-V655 VanDerWaalsContact CE1-CG2 3.43Å; F643-V655 HydrophobicContact CZ-CG2 4.36Å; V655-F847 HydrophobicContact CG2-CD1 4.31Å; V655-F847 HydrophobicContact CG2-CD2 4.01Å; V655-F847 HydrophobicContact CG2-CE1 4.33Å; V655-F847 HydrophobicContact CG2-CE2 3.98Å; V655-F847 HydrophobicContact CG2-CG 4.14Å; V655-F847 HydrophobicContact CG2-CZ 4.14Å; V655-Y874 HydrophobicContact CB-CD1 4Å; V655-Y874 HydrophobicContact CB-CE1 3.87Å; V655-Y874 HydrophobicContact CG1-CD1 3.99Å; V655-Y874 HydrophobicContact CG1-CE1 4.36Å; V655-Y874 HydrophobicContact CG2-CD1 4.03Å; V655-Y874 HydrophobicContact CG2-CE1 3.85Å |
| 656 | M | 73.8 | Confident | 76.3 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 51% | 0.507 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.2 | -178.7 | -55.4 | -170.4 | 90 | 0 | 0 | 111.5 | R642 D654 | R642-M656 PolarHBondContact N-O 2.9Å; R642-M656 PolarHBondContact O-N 3.24Å; D654-M656 WeakPolarHBondContact OD2-CG 3.32Å |
| 657 | A | 70.1 | Confident | 77.9 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 63% | 0.628 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 136.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q659 | A657-Q659 PolarHBondContact O-N 2.81Å |
| 658 | K | 72.3 | Confident | 79.8 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | trans | -67.6 | 115.6 | 178.8 | -177 | -178.1 | 169 | -171.1 | 0 | 110.6 | E640 | E640-K658 HydrophobicContact CB-CB 4.21Å; E640-K658 HydrophobicContact CB-CD 4.31Å; E640-K658 PolarHBondContact O-N 2.6Å; E640-K658 WeakPolarHBondContact OE2-CD 3.5Å; E640-K658 IonicContact OE2-NZ 2.82Å; E640-K658 PolarHBondContact OE2-NZ 2.87Å | ||
| 659 | Q | 72 | Confident | 81.9 | Confident | 160 Ų | 160 | 55.3 Ų | 55.3 | 75% | 0.748 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 128.8 | 173.1 | -169.8 | 175.2 | 5.1 | 0 | 0 | 110.3 | A657 | A657-Q659 PolarHBondContact O-N 2.81Š|
| 660 | M | 79.8 | Confident | 83.5 | Confident | 111 Ų | 111 | 52.5 Ų | 52.5 | 55% | 0.547 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 125.3 | 174.5 | -70.4 | -68.2 | -71 | 0 | 0 | 110 | N664 | M660-N664 HydrophobicContact CE-CB 3.72Å; M660-N664 HydrophobicContact SD-CB 4.18Å |
| 661 | L | 88 | Confident | 85 | Confident | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -102 | 164.4 | 174.3 | -59.3 | 177 | 0 | 0 | 0 | 110.9 | Q598 T663 N664 | Q598-L661 HydrophobicContact CB-CD1 4.31Å; L661-T663 PolarHBondContact O-N 2.71Å; L661-N664 PolarHBondContact N-OD1 3.38Å; L661-N664 WeakPolarHBondContact O-CB 3.25Å; L661-N664 PolarHBondContact O-N 2.87Å; L661-N664 VanDerWaalsContact O-N 3.1Å |
| 662 | D | 89.5 | Confident | 86.1 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.6 | -34 | 173.9 | -88.5 | -1 | 0 | 0 | 0 | 110.9 | K622 N664 S665 L666 | K622-D662 WeakPolarHBondContact CE-OD2 3.44Å; K622-D662 IonicContact NZ-OD2 3.89Å; K622-D662 PolarHBondContact NZ-OD2 3.34Å; D662-N664 PolarHBondContact O-N 3.2Å; D662-S665 CarbonylContact O-C 3.53Å; D662-S665 WeakPolarHBondContact O-CA 3.4Å; D662-S665 WeakPolarHBondContact O-CB 3.38Å; D662-S665 PolarHBondContact O-N 2.96Å; D662-S665 VanDerWaalsContact O-N 3.11Å; D662-L666 PolarHBondContact O-N 2.91Å |
| 663 | T | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -33.3 | 175.3 | 47.3 | 0 | 0 | 0 | 0 | 114.2 | Y594 A597 Q598 I601 L661 S665 L666 V667 | Y594-T663 PolarHBondContact O-OG1 2.87Å; A597-T663 HydrophobicContact CB-CG2 3.77Å; Q598-T663 HydrophobicContact CB-CG2 3.92Å; I601-T663 HydrophobicContact CD1-CG2 3.58Å; L661-T663 PolarHBondContact O-N 2.71Å; T663-S665 VanDerWaalsContact C-N 3.27Å; T663-S665 PolarHBondContact O-N 3.14Å; T663-L666 WeakPolarHBondContact O-CB 3.43Å; T663-L666 PolarHBondContact O-N 2.87Å; T663-V667 PolarHBondContact O-N 3.24Å; T663-V667 VanDerWaalsContact O-N 3.17Å |
| 664 | N | 92 | Very high | 88.4 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 172.1 | -64.7 | 102.4 | 0 | 0 | 0 | 110.3 | Y594 M660 L661 D662 E668 | Y594-N664 HydrophobicContact CD1-CB 4.46Å; Y594-N664 WeakPolarHBondContact CD1-ND2 3.24Å; Y594-N664 VanDerWaalsContact CD2-ND2 3.31Å; Y594-N664 WeakPolarHBondContact CD2-ND2 3.22Å; Y594-N664 HydrophobicContact CE1-CB 4.43Å; Y594-N664 WeakPolarHBondContact CE1-ND2 3.08Å; Y594-N664 WeakPolarHBondContact CE2-ND2 3.47Å; Y594-N664 VanDerWaalsContact CZ-ND2 3.31Å; M660-N664 HydrophobicContact CE-CB 3.72Å; M660-N664 HydrophobicContact SD-CB 4.18Å; L661-N664 PolarHBondContact N-OD1 3.38Å; L661-N664 WeakPolarHBondContact O-CB 3.25Å; L661-N664 PolarHBondContact O-N 2.87Å; L661-N664 VanDerWaalsContact O-N 3.1Å; D662-N664 PolarHBondContact O-N 3.2Å; N664-E668 WeakPolarHBondContact O-CB 3.34Å; N664-E668 PolarHBondContact O-N 3.33Å; N664-E668 VanDerWaalsContact O-N 3.09Å |
| 665 | S | 93.7 | Very high | 89.4 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.4 | -35 | 177.7 | -163.3 | 0 | 0 | 0 | 0 | 112.4 | K625 D662 T663 E668 E669 | K625-S665 VanDerWaalsContact CD-OG 3.27Å; K625-S665 WeakPolarHBondContact CD-OG 3.45Å; K625-S665 PolarHBondContact NZ-OG 3.39Å; D662-S665 CarbonylContact O-C 3.53Å; D662-S665 WeakPolarHBondContact O-CA 3.4Å; D662-S665 WeakPolarHBondContact O-CB 3.38Å; D662-S665 PolarHBondContact O-N 2.96Å; D662-S665 VanDerWaalsContact O-N 3.11Å; T663-S665 VanDerWaalsContact C-N 3.27Å; T663-S665 PolarHBondContact O-N 3.14Å; S665-E668 PolarHBondContact O-N 3.06Å; S665-E669 WeakPolarHBondContact O-CG 3.46Å; S665-E669 PolarHBondContact O-N 3.3Å; S665-E669 VanDerWaalsContact O-N 3.08Å |
| 666 | L | 97.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.9 | -54.1 | 175.6 | 178.3 | 166.8 | 0 | 0 | 0 | 110.8 | I482 L494 I601 L617 N618 A621 D662 T663 E669 F670 | I482-L666 HydrophobicContact CD1-CD2 4.17Å; L494-L666 HydrophobicContact CD1-CD2 3.89Å; I601-L666 HydrophobicContact CD1-CD1 4.04Å; L617-L666 HydrophobicContact CB-CD1 3.86Å; L617-L666 HydrophobicContact CB-CD2 4.18Å; L617-L666 HydrophobicContact CB-CG 4.12Å; N618-L666 HydrophobicContact CB-CD1 3.8Å; A621-L666 HydrophobicContact CB-CB 4.26Å; A621-L666 HydrophobicContact CB-CG 4.33Å; D662-L666 PolarHBondContact O-N 2.91Å; T663-L666 WeakPolarHBondContact O-CB 3.43Å; T663-L666 PolarHBondContact O-N 2.87Å; L666-E669 PolarHBondContact O-N 3.13Å; L666-F670 HydrophobicContact CD2-CD2 4.12Å; L666-F670 HydrophobicContact CD2-CE2 4.43Å; L666-F670 HydrophobicContact CG-CD2 4.49Å; L666-F670 HydrophobicContact CG-CE2 4.45Å; L666-F670 VanDerWaalsContact O-CD2 3.31Å; L666-F670 WeakPolarHBondContact O-CD2 3.43Å; L666-F670 PolarHBondContact O-N 3.25Å |
| 667 | V | 96.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 110 | I482 L494 Y594 T663 E669 F670 M671 | I482-V667 HydrophobicContact CB-CG2 3.77Å; I482-V667 HydrophobicContact CD1-CG2 4.14Å; I482-V667 HydrophobicContact CG1-CG2 4.48Å; I482-V667 HydrophobicContact CG2-CG2 4.11Å; L494-V667 HydrophobicContact CD1-CG2 4.33Å; Y594-V667 HydrophobicContact CE1-CG2 4.07Å; T663-V667 PolarHBondContact O-N 3.24Å; T663-V667 VanDerWaalsContact O-N 3.17Å; V667-E669 PolarHBondContact O-N 3.42Å; V667-F670 PolarHBondContact O-N 3.13Å; V667-M671 HydrophobicContact CG1-CE 4.42Å; V667-M671 HydrophobicContact CG1-CG 4.03Å; V667-M671 VanDerWaalsContact O-CG 3.3Å; V667-M671 WeakPolarHBondContact O-CG 3.39Å; V667-M671 PolarHBondContact O-N 2.94Å |
| 668 | E | 95.3 | Very high | 93 | Very high | 73 Ų | 73 | 32.7 Ų | 32.7 | 34% | 0.341 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -52.7 | -50.4 | 179.2 | -172.8 | -169.9 | 155.4 | 0 | 0 | 112.4 | R628 N664 S665 F670 M671 L672 | R628-E668 IonicContact CZ-OE1 3.48Å; R628-E668 IonicContact NH1-OE1 2.65Å; R628-E668 IonicContact NH2-OE1 3.97Å; R628-E668 PolarHBondContact NH2-OE1 3.07Å; N664-E668 WeakPolarHBondContact O-CB 3.34Å; N664-E668 PolarHBondContact O-N 3.33Å; N664-E668 VanDerWaalsContact O-N 3.09Å; S665-E668 PolarHBondContact O-N 3.06Å; E668-F670 PolarHBondContact O-N 3.24Å; E668-M671 PolarHBondContact O-N 3.37Å; E668-L672 HydrophobicContact CG-CD1 4.02Å; E668-L672 HydrophobicContact CG-CG 4.36Å; E668-L672 WeakPolarHBondContact O-CB 3.16Å; E668-L672 VanDerWaalsContact O-CG 3.24Å; E668-L672 WeakPolarHBondContact O-CG 3.43Å; E668-L672 PolarHBondContact O-N 2.74Å |
| 669 | E | 97.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66 | -35.9 | -175.6 | -63.3 | -56.2 | 149 | 0 | 0 | 113 | A621 L624 K625 R628 S665 L666 V667 L672 L673 | A621-E669 HydrophobicContact CB-CB 4.17Å; A621-E669 HydrophobicContact CB-CG 4.36Å; L624-E669 HydrophobicContact CB-CB 4.09Å; L624-E669 HydrophobicContact CB-CG 4.35Å; L624-E669 HydrophobicContact CD1-CB 4.28Å; K625-E669 HydrophobicContact CB-CG 3.91Å; K625-E669 VanDerWaalsContact CB-OE1 3.32Å; K625-E669 WeakPolarHBondContact CB-OE1 3.11Å; K625-E669 WeakPolarHBondContact CG-OE1 3.46Å; K625-E669 PolarHBondContact N-OE2 3.26Å; R628-E669 IonicContact CZ-OE1 3.28Å; R628-E669 IonicContact CZ-OE2 3.13Å; R628-E669 IonicContact NE-OE1 3.17Å; R628-E669 PolarHBondContact NE-OE1 3.1Å; R628-E669 IonicContact NE-OE2 2.71Å; R628-E669 PolarHBondContact NE-OE2 3.05Å; R628-E669 IonicContact NH2-OE1 3.41Å; R628-E669 PolarHBondContact NH2-OE1 2.81Å; R628-E669 IonicContact NH2-OE2 3.5Å; S665-E669 WeakPolarHBondContact O-CG 3.46Å; S665-E669 PolarHBondContact O-N 3.3Å; S665-E669 VanDerWaalsContact O-N 3.08Å; L666-E669 PolarHBondContact O-N 3.13Å; V667-E669 PolarHBondContact O-N 3.42Å; E669-L672 PolarHBondContact O-N 2.81Å; E669-L673 WeakPolarHBondContact O-CB 3.48Å; E669-L673 PolarHBondContact O-N 3.16Å |
| 670 | F | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -75.7 | -33.7 | 176.6 | -74.6 | -64.7 | 0 | 0 | 0 | 112.7 | L494 V506 V508 L617 L620 A621 L624 L666 V667 E668 L672 L673 A674 | L494-F670 HydrophobicContact CD2-CB 3.86Å; L494-F670 HydrophobicContact CD2-CG 4.34Å; V506-F670 HydrophobicContact CG1-CD1 3.96Å; V506-F670 HydrophobicContact CG1-CE1 3.59Å; V506-F670 HydrophobicContact CG1-CZ 4.2Å; V508-F670 HydrophobicContact CG2-CB 3.95Å; L617-F670 HydrophobicContact CB-CE2 3.83Å; L617-F670 HydrophobicContact CB-CZ 4.42Å; L617-F670 HydrophobicContact CD2-CD2 3.97Å; L617-F670 HydrophobicContact CD2-CE1 4.24Å; L617-F670 HydrophobicContact CD2-CE2 3.41Å; L617-F670 VanDerWaalsContact CD2-CE2 3.41Å; L617-F670 HydrophobicContact CD2-CZ 3.56Å; L617-F670 HydrophobicContact CG-CE2 4.23Å; L617-F670 WeakPolarHBondContact O-CE2 3.35Å; L620-F670 HydrophobicContact CB-CZ 4.01Å; A621-F670 HydrophobicContact CB-CE2 4.04Å; L624-F670 HydrophobicContact CD1-CD1 4.3Å; L624-F670 HydrophobicContact CD1-CE1 3.97Å; L624-F670 HydrophobicContact CD1-CZ 4.39Å; L666-F670 HydrophobicContact CD2-CD2 4.12Å; L666-F670 HydrophobicContact CD2-CE2 4.43Å; L666-F670 HydrophobicContact CG-CD2 4.49Å; L666-F670 HydrophobicContact CG-CE2 4.45Å; L666-F670 VanDerWaalsContact O-CD2 3.31Å; L666-F670 WeakPolarHBondContact O-CD2 3.43Å; L666-F670 PolarHBondContact O-N 3.25Å; V667-F670 PolarHBondContact O-N 3.13Å; E668-F670 PolarHBondContact O-N 3.24Å; F670-L672 VanDerWaalsContact C-N 3.34Å; F670-L673 HydrophobicContact CD1-CD2 4.39Å; F670-L673 PolarHBondContact O-N 2.79Å; F670-A674 WeakPolarHBondContact O-CB 3.31Å; F670-A674 PolarHBondContact O-N 3.28Å |
| 671 | M | 97.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 170.7 | -65.4 | -49.1 | 114.5 | 0 | 0 | 111.1 | D492 L494 V508 I510 V667 E668 A674 N675 T783 | D492-M671 HydrophobicContact CB-CE 3.83Å; D492-M671 HydrophobicContact CB-SD 3.73Å; D492-M671 VanDerWaalsContact OD2-CE 3.22Å; D492-M671 WeakPolarHBondContact OD2-CE 3.5Å; L494-M671 HydrophobicContact CD2-CE 3.76Å; L494-M671 HydrophobicContact CG-CE 4.33Å; V508-M671 HydrophobicContact CG1-CE 3.81Å; V508-M671 HydrophobicContact CG1-SD 4.25Å; V508-M671 HydrophobicContact CG2-CE 4.13Å; I510-M671 HydrophobicContact CD1-SD 4.19Å; V667-M671 HydrophobicContact CG1-CE 4.42Å; V667-M671 HydrophobicContact CG1-CG 4.03Å; V667-M671 VanDerWaalsContact O-CG 3.3Å; V667-M671 WeakPolarHBondContact O-CG 3.39Å; V667-M671 PolarHBondContact O-N 2.94Å; E668-M671 PolarHBondContact O-N 3.37Å; M671-A674 PolarHBondContact O-N 2.98Å; M671-N675 VanDerWaalsContact O-CB 3.31Å; M671-N675 WeakPolarHBondContact O-CB 3.08Å; M671-N675 PolarHBondContact O-N 2.92Å; M671-N675 PolarHBondContact O-ND2 3.08Å; M671-T783 HydrophobicContact CB-CG2 4.17Å; M671-T783 HydrophobicContact CG-CG2 4.45Å; M671-T783 VanDerWaalsContact SD-CB 3.54Å; M671-T783 HydrophobicContact SD-CG2 3.59Å; M671-T783 VanDerWaalsContact SD-CG2 3.59Å |
| 672 | L | 97.9 | Very high | 96.8 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.099 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 175 | -71.6 | 177 | 0 | 0 | 0 | 111.3 | E668 E669 F670 A674 N675 T676 L774 Y779 | E668-L672 HydrophobicContact CG-CD1 4.02Å; E668-L672 HydrophobicContact CG-CG 4.36Å; E668-L672 WeakPolarHBondContact O-CB 3.16Å; E668-L672 VanDerWaalsContact O-CG 3.24Å; E668-L672 WeakPolarHBondContact O-CG 3.43Å; E668-L672 PolarHBondContact O-N 2.74Å; E669-L672 PolarHBondContact O-N 2.81Å; F670-L672 VanDerWaalsContact C-N 3.34Å; L672-A674 PolarHBondContact O-N 3.16Å; L672-N675 PolarHBondContact O-N 2.78Å; L672-T676 PolarHBondContact O-N 3.15Å; L672-T676 PolarHBondContact O-OG1 3.29Å; L672-T676 VanDerWaalsContact O-OG1 3.06Å; L672-L774 HydrophobicContact CD1-CD2 4.09Å; L672-L774 HydrophobicContact CD2-CD1 3.73Å; L672-L774 HydrophobicContact CD2-CD2 3.8Å; L672-L774 HydrophobicContact CD2-CG 4.39Å; L672-Y779 HydrophobicContact CD2-CE2 3.77Å |
| 673 | L | 98.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 21.5 Ų | 21.5 | 12% | 0.12 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 176.6 | -176.5 | 62.2 | 0 | 0 | 0 | 111.7 | W568 I570 L624 E669 F670 N675 T676 T677 | W568-L673 HydrophobicContact CD2-CD2 4.15Å; W568-L673 HydrophobicContact CE3-CD2 4.39Å; W568-L673 HydrophobicContact CH2-CD2 4.46Å; W568-L673 HydrophobicContact CH2-CG 4.28Å; W568-L673 HydrophobicContact CZ2-CB 4.44Å; W568-L673 HydrophobicContact CZ2-CD2 4.18Å; W568-L673 HydrophobicContact CZ2-CG 3.76Å; I570-L673 HydrophobicContact CD1-CD2 4.05Å; L624-L673 HydrophobicContact CD1-CD2 4.28Å; E669-L673 WeakPolarHBondContact O-CB 3.48Å; E669-L673 PolarHBondContact O-N 3.16Å; F670-L673 HydrophobicContact CD1-CD2 4.39Å; F670-L673 PolarHBondContact O-N 2.79Å; L673-N675 PolarHBondContact O-N 3.42Å; L673-T676 PolarHBondContact O-N 3.43Å; L673-T676 PolarHBondContact O-OG1 3.2Å; L673-T677 WeakPolarHBondContact O-CB 3.35Å; L673-T677 PolarHBondContact O-N 2.93Å; L673-T677 PolarHBondContact O-OG1 3.32Å |
| 674 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.8 | -51.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V508 W568 F670 M671 L672 T676 T677 V678 F782 T783 | V508-A674 HydrophobicContact CB-CB 4.34Å; V508-A674 HydrophobicContact CG1-CB 4.04Å; V508-A674 HydrophobicContact CG2-CB 4.43Å; W568-A674 HydrophobicContact CH2-CB 3.83Å; W568-A674 HydrophobicContact CZ2-CB 4.34Å; F670-A674 WeakPolarHBondContact O-CB 3.31Å; F670-A674 PolarHBondContact O-N 3.28Å; M671-A674 PolarHBondContact O-N 2.98Å; L672-A674 PolarHBondContact O-N 3.16Å; A674-T676 PolarHBondContact O-N 3.48Å; A674-T677 PolarHBondContact O-N 3.27Å; A674-V678 WeakPolarHBondContact O-CB 3.41Å; A674-V678 VanDerWaalsContact O-CG2 3.31Å; A674-V678 WeakPolarHBondContact O-CG2 3.33Å; A674-V678 PolarHBondContact O-N 2.85Å; A674-F782 HydrophobicContact CB-CD1 4.36Å; A674-T783 HydrophobicContact CB-CG2 3.76Å |
| 675 | N | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | -178.5 | -77 | -40.3 | 0 | 0 | 0 | 112.6 | M671 L672 L673 A679 Y779 T780 F782 T783 | M671-N675 VanDerWaalsContact O-CB 3.31Å; M671-N675 WeakPolarHBondContact O-CB 3.08Å; M671-N675 PolarHBondContact O-N 2.92Å; M671-N675 PolarHBondContact O-ND2 3.08Å; L672-N675 PolarHBondContact O-N 2.78Å; L673-N675 PolarHBondContact O-N 3.42Å; N675-A679 VanDerWaalsContact O-CB 3.29Å; N675-A679 WeakPolarHBondContact O-CB 3.46Å; N675-A679 PolarHBondContact O-N 3.09Å; N675-Y779 HydrophobicContact CB-CD2 3.94Å; N675-Y779 HydrophobicContact CB-CE2 3.36Å; N675-Y779 PolarHBondContact ND2-OH 3.44Å; N675-T780 VanDerWaalsContact CB-O 3.24Å; N675-T780 WeakPolarHBondContact CB-O 3.45Å; N675-T780 VanDerWaalsContact CG-O 3.3Å; N675-T780 PolarHBondContact OD1-O 2.85Å; N675-F782 WeakPolarHBondContact OD1-CB 3.48Å; N675-F782 PolarHBondContact OD1-N 3.5Å; N675-T783 PolarHBondContact ND2-OG1 3.14Å; N675-T783 WeakPolarHBondContact OD1-CG2 3.34Å |
| 676 | T | 98.5 | Very high | 97.5 | Very high | 30 Ų | 30 | 28.3 Ų | 28.3 | 18% | 0.184 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.3 | -43.1 | 177.7 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | L672 L673 A674 V678 A679 E680 A776 Y779 | L672-T676 PolarHBondContact O-N 3.15Å; L672-T676 PolarHBondContact O-OG1 3.29Å; L672-T676 VanDerWaalsContact O-OG1 3.06Å; L673-T676 PolarHBondContact O-N 3.43Å; L673-T676 PolarHBondContact O-OG1 3.2Å; A674-T676 PolarHBondContact O-N 3.48Å; T676-V678 PolarHBondContact O-N 3.2Å; T676-A679 WeakPolarHBondContact O-CB 3.31Å; T676-A679 PolarHBondContact O-N 3.07Å; T676-E680 WeakPolarHBondContact O-CG 3.49Å; T676-E680 PolarHBondContact O-N 2.81Å; T676-A776 HydrophobicContact CG2-CB 4.04Å; T676-Y779 HydrophobicContact CG2-CD2 3.99Å |
| 677 | T | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 31 Ų | 31 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.3 | -37.7 | -179.6 | -59.3 | 0 | 0 | 0 | 0 | 112 | V566 W568 V579 F581 L673 A674 R681 | V566-T677 HydrophobicContact CG1-CG2 4.49Å; W568-T677 PolarHBondContact NE1-OG1 3.1Å; V579-T677 HydrophobicContact CB-CG2 4.11Å; V579-T677 HydrophobicContact CG1-CG2 3.88Å; V579-T677 HydrophobicContact CG2-CG2 3.67Å; F581-T677 HydrophobicContact CE1-CG2 4.16Å; F581-T677 HydrophobicContact CZ-CG2 3.74Å; L673-T677 WeakPolarHBondContact O-CB 3.35Å; L673-T677 PolarHBondContact O-N 2.93Å; L673-T677 PolarHBondContact O-OG1 3.32Å; A674-T677 PolarHBondContact O-N 3.27Å; T677-R681 PolarHBondContact O-N 3.03Å |
| 678 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -42 | 172.4 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V566 F581 A674 T676 E680 R681 L682 T780 F782 V794 L798 | V566-V678 HydrophobicContact CG2-CG2 3.99Å; F581-V678 HydrophobicContact CD1-CG2 4.26Å; F581-V678 HydrophobicContact CE1-CG2 3.74Å; A674-V678 WeakPolarHBondContact O-CB 3.41Å; A674-V678 VanDerWaalsContact O-CG2 3.31Å; A674-V678 WeakPolarHBondContact O-CG2 3.33Å; A674-V678 PolarHBondContact O-N 2.85Å; T676-V678 PolarHBondContact O-N 3.2Å; V678-E680 VanDerWaalsContact C-N 3.34Å; V678-E680 PolarHBondContact O-N 2.99Å; V678-R681 PolarHBondContact O-N 2.85Å; V678-L682 HydrophobicContact CG1-CD1 4.25Å; V678-L682 HydrophobicContact CG1-CG 4.1Å; V678-L682 WeakPolarHBondContact O-CG 3.09Å; V678-L682 PolarHBondContact O-N 3.39Å; V678-T780 HydrophobicContact CB-CG2 4.49Å; V678-T780 HydrophobicContact CG1-CG2 4.19Å; V678-F782 HydrophobicContact CB-CB 4.35Å; V678-F782 HydrophobicContact CB-CG 4.38Å; V678-F782 HydrophobicContact CG1-CB 4.25Å; V678-F782 HydrophobicContact CG1-CD2 4.26Å; V678-F782 HydrophobicContact CG1-CG 4.31Å; V678-F782 HydrophobicContact CG2-CB 4.35Å; V678-F782 HydrophobicContact CG2-CD1 3.93Å; V678-F782 HydrophobicContact CG2-CD2 4.16Å; V678-F782 HydrophobicContact CG2-CE1 4.25Å; V678-F782 HydrophobicContact CG2-CE2 4.47Å; V678-F782 HydrophobicContact CG2-CG 3.88Å; V678-V794 HydrophobicContact CG1-CG1 3.66Å; V678-L798 HydrophobicContact CG1-CD2 4.24Å; V678-L798 HydrophobicContact CG2-CD2 4.08Å |
| 679 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N675 T676 L682 L683 L692 V778 T780 | N675-A679 VanDerWaalsContact O-CB 3.29Å; N675-A679 WeakPolarHBondContact O-CB 3.46Å; N675-A679 PolarHBondContact O-N 3.09Å; T676-A679 WeakPolarHBondContact O-CB 3.31Å; T676-A679 PolarHBondContact O-N 3.07Å; A679-L682 PolarHBondContact O-N 2.95Å; A679-L683 WeakPolarHBondContact O-CB 3.46Å; A679-L683 PolarHBondContact O-N 3.29Å; A679-L692 HydrophobicContact CB-CD2 3.78Å; A679-V778 HydrophobicContact CB-CB 4.23Å; A679-V778 HydrophobicContact CB-CG2 4.05Å; A679-T780 HydrophobicContact CB-CG2 3.94Å |
| 680 | E | 98.3 | Very high | 96.9 | Very high | 113 Ų | 113 | 33.1 Ų | 33.1 | 53% | 0.528 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 175.2 | -71.4 | 172.7 | 170.4 | 0 | 0 | 111.5 | T676 V678 L683 A684 V778 | T676-E680 WeakPolarHBondContact O-CG 3.49Å; T676-E680 PolarHBondContact O-N 2.81Å; V678-E680 VanDerWaalsContact C-N 3.34Å; V678-E680 PolarHBondContact O-N 2.99Å; E680-L683 PolarHBondContact O-N 2.7Å; E680-A684 WeakPolarHBondContact O-CB 3.38Å; E680-A684 PolarHBondContact O-N 3.29Å; E680-V778 HydrophobicContact CB-CG2 4.48Å; E680-V778 HydrophobicContact CG-CG2 3.55Å |
| 681 | R | 97.9 | Very high | 96.9 | Very high | 91 Ų | 91 | 33.1 Ų | 33.1 | 34% | 0.343 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 178.7 | -176.5 | 62.5 | -177.9 | 164.8 | 17.3 | 112.2 | F581 T677 V678 A684 E685 L798 I801 | F581-R681 HydrophobicContact CD2-CG 4.33Å; F581-R681 HydrophobicContact CE2-CB 3.98Å; F581-R681 HydrophobicContact CE2-CG 3.76Å; F581-R681 HydrophobicContact CZ-CB 3.82Å; F581-R681 HydrophobicContact CZ-CG 4.08Å; T677-R681 PolarHBondContact O-N 3.03Å; V678-R681 PolarHBondContact O-N 2.85Å; R681-A684 PolarHBondContact O-N 2.78Å; R681-E685 IonicContact CZ-OE1 3.86Å; R681-E685 VanDerWaalsContact CZ-OE1 3.27Å; R681-E685 IonicContact NH1-OE1 3.27Å; R681-E685 PolarHBondContact NH1-OE1 3.37Å; R681-E685 IonicContact NH2-OE1 2.78Å; R681-E685 PolarHBondContact NH2-OE1 3.45Å; R681-E685 PolarHBondContact O-N 3.32Å; R681-L798 HydrophobicContact CG-CD1 4.04Å; R681-I801 HydrophobicContact CG-CD1 4.18Å |
| 682 | L | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 177.3 | -70.9 | -170.3 | 0 | 0 | 0 | 111.8 | V678 A679 A684 E685 F686 A690 V794 L797 L798 I801 | V678-L682 HydrophobicContact CG1-CD1 4.25Å; V678-L682 HydrophobicContact CG1-CG 4.1Å; V678-L682 WeakPolarHBondContact O-CG 3.09Å; V678-L682 PolarHBondContact O-N 3.39Å; A679-L682 PolarHBondContact O-N 2.95Å; L682-A684 VanDerWaalsContact C-N 3.28Å; L682-A684 PolarHBondContact O-N 2.69Å; L682-E685 PolarHBondContact O-N 3.26Å; L682-F686 WeakPolarHBondContact O-CA 3.35Å; L682-F686 PolarHBondContact O-N 2.7Å; L682-A690 HydrophobicContact CB-CB 3.98Å; L682-V794 HydrophobicContact CD1-CB 4.34Å; L682-V794 HydrophobicContact CD1-CG1 3.94Å; L682-V794 HydrophobicContact CD1-CG2 4.02Å; L682-L797 HydrophobicContact CD1-CB 4.44Å; L682-L797 HydrophobicContact CD1-CD1 4.2Å; L682-L797 HydrophobicContact CD2-CB 3.55Å; L682-L798 HydrophobicContact CD2-CB 4.36Å; L682-I801 HydrophobicContact CD2-CD1 3.7Å |
| 683 | L | 96.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 14% | 0.141 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -34.5 | -178.8 | 179.8 | 61.5 | 0 | 0 | 0 | 112.2 | A679 E680 P687 T761 Y769 V778 | A679-L683 WeakPolarHBondContact O-CB 3.46Å; A679-L683 PolarHBondContact O-N 3.29Å; E680-L683 PolarHBondContact O-N 2.7Å; L683-P687 WeakPolarHBondContact O-CA 3.4Å; L683-T761 HydrophobicContact CD1-CG2 3.87Å; L683-Y769 HydrophobicContact CD1-CE2 3.74Å; L683-Y769 HydrophobicContact CD2-CD2 4.13Å; L683-Y769 HydrophobicContact CD2-CE2 4.03Å; L683-V778 HydrophobicContact CD2-CG1 3.74Å |
| 684 | A | 96.7 | Very high | 96.7 | Very high | 77 Ų | 77 | 34.4 Ų | 34.4 | 64% | 0.636 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -66.2 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E680 R681 L682 | E680-A684 WeakPolarHBondContact O-CB 3.38Å; E680-A684 PolarHBondContact O-N 3.29Å; R681-A684 PolarHBondContact O-N 2.78Å; L682-A684 VanDerWaalsContact C-N 3.28Å; L682-A684 PolarHBondContact O-N 2.69Å |
| 685 | E | 94.8 | Very high | 96.5 | Very high | 74 Ų | 74 | 35.3 Ų | 35.3 | 35% | 0.346 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -92.8 | -31 | -175.5 | -66.2 | -76.6 | 170.2 | 0 | 0 | 113.2 | R681 L682 I801 R807 | R681-E685 IonicContact CZ-OE1 3.86Å; R681-E685 VanDerWaalsContact CZ-OE1 3.27Å; R681-E685 IonicContact NH1-OE1 3.27Å; R681-E685 PolarHBondContact NH1-OE1 3.37Å; R681-E685 IonicContact NH2-OE1 2.78Å; R681-E685 PolarHBondContact NH2-OE1 3.45Å; R681-E685 PolarHBondContact O-N 3.32Å; L682-E685 PolarHBondContact O-N 3.26Å; E685-I801 HydrophobicContact CB-CD1 3.7Å; E685-I801 HydrophobicContact CB-CG1 3.8Å; E685-I801 HydrophobicContact CG-CD1 3.83Å; E685-I801 HydrophobicContact CG-CG1 3.93Å; E685-I801 HydrophobicContact CG-CG2 3.93Å; E685-R807 IonicContact OE2-NH2 2.62Å |
| 686 | F | 93.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | trans | -131.2 | 65.2 | -175.3 | -61.3 | -53.4 | 0 | 0 | 0 | 112.1 | L682 D688 V689 A690 L797 A800 I801 M812 | L682-F686 WeakPolarHBondContact O-CA 3.35Å; L682-F686 PolarHBondContact O-N 2.7Å; F686-D688 PolarHBondContact O-N 3.4Å; F686-D688 VanDerWaalsContact O-N 3.13Å; F686-V689 HydrophobicContact CB-CG2 3.82Å; F686-V689 HydrophobicContact CD1-CG2 4.29Å; F686-V689 HydrophobicContact CG-CG2 4.24Å; F686-V689 PolarHBondContact O-N 2.71Å; F686-A690 HydrophobicContact CB-CB 4.36Å; F686-A690 VanDerWaalsContact O-CB 3.28Å; F686-A690 WeakPolarHBondContact O-CB 3.48Å; F686-A690 PolarHBondContact O-N 2.93Å; F686-L797 HydrophobicContact CD2-CB 4.27Å; F686-L797 HydrophobicContact CD2-CD2 4.22Å; F686-L797 HydrophobicContact CE2-CB 4.26Å; F686-L797 HydrophobicContact CE2-CD2 4.32Å; F686-L797 WeakPolarHBondContact CE2-O 3.46Å; F686-A800 HydrophobicContact CE2-CB 4.47Å; F686-A800 HydrophobicContact CZ-CB 4.22Å; F686-I801 HydrophobicContact CD2-CD1 4.08Å; F686-I801 HydrophobicContact CD2-CG1 4.09Å; F686-I801 HydrophobicContact CE2-CD1 3.93Å; F686-I801 HydrophobicContact CE2-CG1 3.45Å; F686-I801 VanDerWaalsContact CE2-CG1 3.45Å; F686-I801 HydrophobicContact CZ-CG1 4.06Å; F686-M812 HydrophobicContact CD1-CE 4.3Å; F686-M812 HydrophobicContact CE1-CE 3.85Å; F686-M812 HydrophobicContact CE2-CE 4.04Å; F686-M812 HydrophobicContact CZ-CE 3.71Å | ||
| 687 | P | 93.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.3 | -173.3 | 26 | -35.9 | 0 | 0 | 0 | 115 | L683 T761 | L683-P687 WeakPolarHBondContact O-CA 3.4Å; P687-T761 WeakPolarHBondContact O-CB 3.49Å; P687-T761 PolarHBondContact O-OG1 2.77Å; P687-T761 VanDerWaalsContact O-OG1 3.1Å |
| 688 | D | 92.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 40.4 Ų | 40.4 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -10.2 | -175.4 | -60.4 | -50.2 | 0 | 0 | 0 | 114.1 | F686 C760 G762 | F686-D688 PolarHBondContact O-N 3.4Å; F686-D688 VanDerWaalsContact O-N 3.13Å; D688-C760 PolarHBondContact O-SG 2.82Å; D688-G762 WeakPolarHBondContact O-CA 3.5Å; D688-G762 PolarHBondContact O-N 3.38Å |
| 689 | V | 93.6 | Very high | 94 | Very high | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.17 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | -0.1 | -172.5 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | F686 L691 T761 K815 | F686-V689 HydrophobicContact CB-CG2 3.82Å; F686-V689 HydrophobicContact CD1-CG2 4.29Å; F686-V689 HydrophobicContact CG-CG2 4.24Å; F686-V689 PolarHBondContact O-N 2.71Å; V689-L691 PolarHBondContact O-N 2.75Å; V689-T761 PolarHBondContact N-OG1 2.81Å; V689-K815 HydrophobicContact CG1-CB 4.35Å |
| 690 | A | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -64.1 | 135.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L682 F686 T761 | L682-A690 HydrophobicContact CB-CB 3.98Å; F686-A690 HydrophobicContact CB-CB 4.36Å; F686-A690 VanDerWaalsContact O-CB 3.28Å; F686-A690 WeakPolarHBondContact O-CB 3.48Å; F686-A690 PolarHBondContact O-N 2.93Å; A690-T761 HydrophobicContact CB-CG2 3.97Å; A690-T761 PolarHBondContact N-OG1 3.48Å; A690-T761 WeakPolarHBondContact O-CG2 3.36Å; A690-T761 PolarHBondContact O-N 2.78Å; A690-T761 PolarHBondContact O-OG1 3.27Å; A690-T761 VanDerWaalsContact O-OG1 3.04Å | ||
| 691 | L | 97.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.2 | 171.5 | -171.2 | 160.4 | 0 | 0 | 0 | 108.7 | V689 Y758 T780 A790 M793 V794 V818 L821 L825 | V689-L691 PolarHBondContact O-N 2.75Å; L691-Y758 HydrophobicContact CD2-CD1 3.78Å; L691-Y758 HydrophobicContact CD2-CE1 4.46Å; L691-Y758 HydrophobicContact CD2-CG 4.47Å; L691-T780 PolarHBondContact O-OG1 3.12Å; L691-A790 HydrophobicContact CD2-CB 4.21Å; L691-M793 HydrophobicContact CD1-CB 4.11Å; L691-M793 HydrophobicContact CD1-CG 3.95Å; L691-V794 HydrophobicContact CD2-CG2 4.42Å; L691-V818 HydrophobicContact CB-CG1 4.19Å; L691-L821 HydrophobicContact CD1-CD2 4.12Å; L691-L825 HydrophobicContact CD1-CD1 3.89Å |
| 692 | L | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 171.1 | 178 | -63.2 | -171.8 | 0 | 0 | 0 | 110.4 | A679 Y758 F759 T761 Y769 V778 Y779 | A679-L692 HydrophobicContact CB-CD2 3.78Å; L692-Y758 CarbonylContact O-C 3.53Å; L692-Y758 VanDerWaalsContact O-CA 3.29Å; L692-Y758 WeakPolarHBondContact O-CA 3.31Å; L692-F759 HydrophobicContact CB-CD1 4.28Å; L692-F759 HydrophobicContact CB-CE1 3.57Å; L692-F759 HydrophobicContact CB-CE2 4.3Å; L692-F759 HydrophobicContact CB-CZ 3.59Å; L692-F759 HydrophobicContact CD1-CZ 4.16Å; L692-F759 HydrophobicContact CG-CZ 4.45Å; L692-F759 PolarHBondContact N-O 2.91Å; L692-F759 WeakPolarHBondContact O-CD1 3.34Å; L692-F759 PolarHBondContact O-N 2.82Å; L692-T761 HydrophobicContact CB-CG2 4.37Å; L692-T761 HydrophobicContact CD1-CG2 3.39Å; L692-T761 HydrophobicContact CG-CG2 3.64Å; L692-Y769 HydrophobicContact CD1-CD2 4.19Å; L692-Y769 HydrophobicContact CD1-CE2 4.41Å; L692-V778 HydrophobicContact CD1-CB 4.46Å; L692-V778 HydrophobicContact CD1-CG1 4.48Å; L692-Y779 WeakPolarHBondContact CB-O 3.46Å |
| 693 | R | 97.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.3 | 177.1 | -169.3 | -179.5 | -169.9 | -153.6 | 1.3 | 110.1 | A756 V757 Y758 Y779 H781 | R693-A756 PolarHBondContact NH2-O 3.14Å; R693-V757 WeakPolarHBondContact CA-O 3.34Å; R693-V757 WeakPolarHBondContact CG-O 3.39Å; R693-Y758 HydrophobicContact CB-CD1 3.95Å; R693-Y758 HydrophobicContact CB-CE1 4.27Å; R693-Y758 HydrophobicContact CG-CD1 4.08Å; R693-Y758 HydrophobicContact CG-CE1 4.27Å; R693-Y779 HydrophobicContact CB-CD1 4.11Å; R693-Y779 PolarHBondContact N-O 2.77Å; R693-H781 WeakPolarHBondContact CD-NE2 3.4Å; R693-H781 PolarHBondContact NH1-CE1 2.85Å; R693-H781 PolarHBondContact NH1-NE2 3.36Å |
| 694 | R | 95.7 | Very high | 90.6 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 161.3 | 179.4 | 64.8 | 176.8 | -170.3 | 127.4 | 1.8 | 111.6 | A756 V757 F759 H768 | R694-A756 CarbonylContact O-C 3.46Å; R694-A756 WeakPolarHBondContact O-CA 3.34Å; R694-A756 WeakPolarHBondContact O-CB 3.42Å; R694-V757 HydrophobicContact CG-CG2 3.91Å; R694-V757 PolarHBondContact N-O 3.09Å; R694-V757 PolarHBondContact O-N 2.76Å; R694-F759 HydrophobicContact CB-CD1 3.97Å; R694-F759 HydrophobicContact CB-CE1 3.62Å; R694-F759 HydrophobicContact CG-CD1 3.68Å; R694-F759 HydrophobicContact CG-CE1 3.87Å; R694-H768 WeakPolarHBondContact CD-O 3.36Å |
| 695 | H | 93.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -130 | 98 | 171.2 | -176.9 | 177.8 | 0 | 0 | 0 | 107.3 | T754 A756 F770 H771 F772 G773 | H695-T754 PolarHBondContact CD2-OG1 3.26Å; H695-T754 VanDerWaalsContact CD2-OG1 3.23Å; H695-T754 PolarHBondContact NE2-O 3.16Å; H695-A756 HydrophobicContact CB-CB 3.98Å; H695-F770 PolarHBondContact N-O 3.41Å; H695-H771 HydrophobicContact CB-CB 4.46Å; H695-H771 VanDerWaalsContact CB-CE1 3.48Å; H695-H771 WeakPolarHBondContact CB-CE1 3.35Å; H695-H771 WeakPolarHBondContact CB-ND1 3.24Å; H695-H771 AromaticContact ND1-CE1 3.8Å; H695-F772 HydrophobicContact CB-CB 4.43Å; H695-F772 WeakPolarHBondContact O-CB 3.29Å; H695-F772 PolarHBondContact O-N 2.75Å; H695-G773 PolarHBondContact ND1-N 3.12Å; H695-G773 VanDerWaalsContact ND1-N 3.18Å |
| 696 | P | 90 | Very high | 89.6 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -59 | 148 | -178.1 | -22.9 | 33.1 | 0 | 0 | 0 | 112.6 | T754 | P696-T754 PolarHBondContact O-OG1 2.74Š|
| 697 | L | 86.3 | Confident | 89.5 | Confident | 113 Ų | 113 | 45.4 Ų | 45.4 | 59% | 0.592 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 127.9 | 171.7 | -176.4 | 68.2 | 0 | 0 | 0 | 109.5 | F772 | L697-F772 HydrophobicContact CD1-CD1 4.48Å; L697-F772 HydrophobicContact CD1-CD2 3.52Å; L697-F772 HydrophobicContact CD1-CE1 4.21Å; L697-F772 HydrophobicContact CD1-CE2 3.21Å; L697-F772 HydrophobicContact CD1-CG 4.18Å; L697-F772 HydrophobicContact CD1-CZ 3.59Å |
| 698 | P | 84.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 138.6 | 175.7 | -11.4 | 25.9 | 0 | 0 | 0 | 111 | F703 C752 M753 T754 F772 | P698-F703 HydrophobicContact CB-CE2 3.77Å; P698-F703 HydrophobicContact CB-CZ 4.27Å; P698-F703 HydrophobicContact CG-CE2 4.04Å; P698-F703 HydrophobicContact CG-CZ 4.13Å; P698-C752 VanDerWaalsContact CB-O 3.31Å; P698-C752 WeakPolarHBondContact CB-O 3.48Å; P698-M753 HydrophobicContact CG-SD 3.76Å; P698-T754 HydrophobicContact CB-CG2 4.06Å; P698-T754 HydrophobicContact CG-CG2 4.37Å; P698-F772 HydrophobicContact CG-CD1 4.44Å; P698-F772 HydrophobicContact CG-CE1 4.35Å |
| 699 | P | 81.9 | Confident | 88.9 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 140.2 | 175.2 | -23.4 | 32.8 | 0 | 0 | 0 | 111.6 | V701 R702 | P699-V701 PolarHBondContact O-N 2.98Å; P699-V701 VanDerWaalsContact O-N 3.11Å; P699-R702 WeakPolarHBondContact O-CB 3.4Å; P699-R702 PolarHBondContact O-N 3.23Å |
| 700 | A | 81.1 | Confident | 88.8 | Confident | 62 Ų | 62 | 41.8 Ų | 41.8 | 51% | 0.512 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -54.2 | -35.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R702 F703 | A700-R702 PolarHBondContact O-N 2.84Å; A700-F703 PolarHBondContact O-N 3.35Å |
| 701 | V | 79.3 | Confident | 88.6 | Confident | 99 Ų | 99 | 44.6 Ų | 44.6 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -54.5 | -34 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | P699 F703 E704 | P699-V701 PolarHBondContact O-N 2.98Å; P699-V701 VanDerWaalsContact O-N 3.11Å; V701-F703 PolarHBondContact O-N 3.19Å; V701-E704 PolarHBondContact O-N 3.14Å |
| 702 | R | 83.1 | Confident | 88 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 33% | 0.328 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -66.1 | -25 | 178.6 | -68.2 | -167.7 | 178.2 | -160.7 | 0.9 | 112.8 | E267 P699 A700 C752 M753 | E267-R702 VanDerWaalsContact CD-NH2 3.32Å; E267-R702 IonicContact OE1-NH2 3.05Å; E267-R702 PolarHBondContact OE1-NH2 2.77Å; E267-R702 IonicContact OE2-CZ 3.85Å; E267-R702 IonicContact OE2-NE 2.79Å; E267-R702 IonicContact OE2-NH2 3.62Å; E267-R702 PolarHBondContact OE2-NH2 3.27Å; P699-R702 WeakPolarHBondContact O-CB 3.4Å; P699-R702 PolarHBondContact O-N 3.23Å; A700-R702 PolarHBondContact O-N 2.84Å; R702-C752 HydrophobicContact CB-CB 4.39Å; R702-C752 VanDerWaalsContact CD-O 3.29Å; R702-C752 WeakPolarHBondContact CD-O 3.42Å; R702-C752 PolarHBondContact O-SG 3.28Å; R702-M753 PolarHBondContact NH1-O 2.81Å |
| 703 | F | 88 | Confident | 87.6 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -89.9 | -13 | 179.8 | -70 | -79.9 | 0 | 0 | 0 | 113.8 | P698 A700 V701 P705 L706 V707 T719 L726 C752 M753 | P698-F703 HydrophobicContact CB-CE2 3.77Å; P698-F703 HydrophobicContact CB-CZ 4.27Å; P698-F703 HydrophobicContact CG-CE2 4.04Å; P698-F703 HydrophobicContact CG-CZ 4.13Å; A700-F703 PolarHBondContact O-N 3.35Å; V701-F703 PolarHBondContact O-N 3.19Å; F703-P705 VanDerWaalsContact C-CD 3.44Å; F703-P705 VanDerWaalsContact C-N 3.33Å; F703-L706 HydrophobicContact CD1-CD2 4.1Å; F703-L706 WeakPolarHBondContact O-CA 3.18Å; F703-L706 WeakPolarHBondContact O-CB 3.34Å; F703-L706 PolarHBondContact O-N 3.18Å; F703-V707 HydrophobicContact CB-CG2 4.32Å; F703-V707 WeakPolarHBondContact O-CG2 3.44Å; F703-V707 PolarHBondContact O-N 3.35Å; F703-T719 HydrophobicContact CB-CG2 3.64Å; F703-T719 HydrophobicContact CD1-CG2 3.78Å; F703-T719 HydrophobicContact CD2-CG2 4.11Å; F703-T719 HydrophobicContact CE1-CG2 4.42Å; F703-T719 HydrophobicContact CG-CG2 3.59Å; F703-L726 HydrophobicContact CE1-CD2 4.06Å; F703-L726 HydrophobicContact CZ-CD2 4.02Å; F703-C752 HydrophobicContact CD1-CB 3.46Å; F703-C752 VanDerWaalsContact CD1-CB 3.46Å; F703-C752 HydrophobicContact CD2-CB 4.46Å; F703-C752 HydrophobicContact CE1-CB 3.45Å; F703-C752 VanDerWaalsContact CE1-CB 3.45Å; F703-C752 HydrophobicContact CE2-CB 4.47Å; F703-C752 HydrophobicContact CG-CB 4Å; F703-C752 HydrophobicContact CZ-CB 3.99Å; F703-M753 HydrophobicContact CE1-CE 3.57Å; F703-M753 HydrophobicContact CZ-CE 3.4Å; F703-M753 VanDerWaalsContact CZ-CE 3.4Å; F703-M753 HydrophobicContact CZ-SD 4.23Å |
| 704 | E | 85.5 | Confident | 87.3 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -51.3 | -44.2 | -177.7 | -72.2 | 177.7 | -159.5 | 0 | 0 | 114 | V701 L706 V707 K708 | V701-E704 PolarHBondContact O-N 3.14Å; E704-L706 VanDerWaalsContact C-N 3.32Å; E704-L706 PolarHBondContact O-N 3.11Å; E704-V707 PolarHBondContact O-N 3.07Å; E704-K708 WeakPolarHBondContact O-CB 3.47Å; E704-K708 WeakPolarHBondContact O-CG 3.44Å; E704-K708 PolarHBondContact O-N 3.22Å |
| 705 | P | 82.2 | Confident | 87.2 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 41% | 0.409 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 177.3 | -21.8 | 34.8 | 0 | 0 | 0 | 112.2 | F703 A709 | F703-P705 VanDerWaalsContact C-CD 3.44Å; F703-P705 VanDerWaalsContact C-N 3.33Å; P705-A709 WeakPolarHBondContact O-CB 3.47Å; P705-A709 PolarHBondContact O-N 3.26Å |
| 706 | L | 88.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 176.9 | 175.3 | 63.4 | 0 | 0 | 0 | 111.6 | F703 E704 A709 A710 L745 M748 A749 | F703-L706 HydrophobicContact CD1-CD2 4.1Å; F703-L706 WeakPolarHBondContact O-CA 3.18Å; F703-L706 WeakPolarHBondContact O-CB 3.34Å; F703-L706 PolarHBondContact O-N 3.18Å; E704-L706 VanDerWaalsContact C-N 3.32Å; E704-L706 PolarHBondContact O-N 3.11Å; L706-A709 PolarHBondContact O-N 2.72Å; L706-A710 WeakPolarHBondContact O-CB 3.26Å; L706-A710 PolarHBondContact O-N 2.69Å; L706-L745 HydrophobicContact CD1-CD2 3.61Å; L706-M748 HydrophobicContact CD1-CB 3.8Å; L706-M748 HydrophobicContact CD1-CE 4.34Å; L706-M748 HydrophobicContact CD1-SD 4.4Å; L706-A749 HydrophobicContact CD2-CB 3.73Å |
| 707 | V | 91.7 | Very high | 87.5 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 29% | 0.291 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 179.9 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | F703 E704 A710 A711 T719 | F703-V707 HydrophobicContact CB-CG2 4.32Å; F703-V707 WeakPolarHBondContact O-CG2 3.44Å; F703-V707 PolarHBondContact O-N 3.35Å; E704-V707 PolarHBondContact O-N 3.07Å; V707-A710 PolarHBondContact O-N 3.12Å; V707-A711 VanDerWaalsContact O-CB 3.26Å; V707-A711 WeakPolarHBondContact O-CB 3.27Å; V707-A711 PolarHBondContact O-N 2.79Å; V707-T719 HydrophobicContact CG2-CG2 3.97Å |
| 708 | K | 87.1 | Confident | 87.8 | Confident | 111 Ų | 111 | 51.9 Ų | 51.9 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.7 | -72.8 | 173.8 | -178.2 | 169.7 | 0 | 111.8 | E704 A711 K712 | E704-K708 WeakPolarHBondContact O-CB 3.47Å; E704-K708 WeakPolarHBondContact O-CG 3.44Å; E704-K708 PolarHBondContact O-N 3.22Å; K708-A711 PolarHBondContact O-N 2.83Å; K708-K712 WeakPolarHBondContact O-CG 3.43Å; K708-K712 PolarHBondContact O-N 3.23Å; K708-K712 VanDerWaalsContact O-N 3.12Å |
| 709 | A | 85.9 | Confident | 88 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P705 L706 M748 M909 F910 | P705-A709 WeakPolarHBondContact O-CB 3.47Å; P705-A709 PolarHBondContact O-N 3.26Å; L706-A709 PolarHBondContact O-N 2.72Å; A709-M748 HydrophobicContact CB-CE 4.37Å; A709-M909 HydrophobicContact CB-CE 3.56Å; A709-M909 HydrophobicContact CB-SD 4.04Å; A709-F910 HydrophobicContact CB-CE2 3.66Å; A709-F910 HydrophobicContact CB-CZ 4.03Å |
| 710 | A | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L706 V707 K712 R713 G714 F715 I717 L745 | L706-A710 WeakPolarHBondContact O-CB 3.26Å; L706-A710 PolarHBondContact O-N 2.69Å; V707-A710 PolarHBondContact O-N 3.12Å; A710-K712 VanDerWaalsContact C-N 3.32Å; A710-K712 PolarHBondContact O-N 3.36Å; A710-R713 CarbonylContact O-C 3.55Å; A710-R713 WeakPolarHBondContact O-CA 3.34Å; A710-R713 PolarHBondContact O-N 2.97Å; A710-G714 PolarHBondContact O-N 3.2Å; A710-F715 CarbonylContact C-O 3.59Å; A710-F715 VanDerWaalsContact C-O 3.26Å; A710-F715 HydrophobicContact CB-CB 4.33Å; A710-F715 PolarHBondContact O-N 2.77Å; A710-I717 HydrophobicContact CB-CD1 4.26Å; A710-I717 HydrophobicContact CB-CG1 3.44Å; A710-I717 VanDerWaalsContact CB-CG1 3.44Å; A710-L745 HydrophobicContact CB-CD2 4.01Å |
| 711 | A | 91.9 | Very high | 88.5 | Confident | 59 Ų | 59 | 60 Ų | 60 | 49% | 0.488 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V707 K708 R713 G714 F715 | V707-A711 VanDerWaalsContact O-CB 3.26Å; V707-A711 WeakPolarHBondContact O-CB 3.27Å; V707-A711 PolarHBondContact O-N 2.79Å; K708-A711 PolarHBondContact O-N 2.83Å; A711-R713 PolarHBondContact O-N 3.26Å; A711-G714 PolarHBondContact O-N 3.25Å; A711-F715 VanDerWaalsContact CA-O 3.27Å; A711-F715 WeakPolarHBondContact CA-O 3.45Å; A711-F715 PolarHBondContact N-O 3.21Å |
| 712 | K | 85.5 | Confident | 88.9 | Confident | 94 Ų | 94 | 56.8 Ų | 56.8 | 41% | 0.409 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -28.2 | 173.2 | -71.6 | 173.3 | -177 | 179.7 | 0 | 112.9 | K708 A710 G714 K897 E898 | K708-K712 WeakPolarHBondContact O-CG 3.43Å; K708-K712 PolarHBondContact O-N 3.23Å; K708-K712 VanDerWaalsContact O-N 3.12Å; A710-K712 VanDerWaalsContact C-N 3.32Å; A710-K712 PolarHBondContact O-N 3.36Å; K712-G714 VanDerWaalsContact C-N 3.33Å; K712-K897 VanDerWaalsContact NZ-C 3.33Å; K712-K897 PolarHBondContact NZ-O 2.84Å; K712-E898 IonicContact NZ-OE2 3.31Å; K712-E898 PolarHBondContact NZ-OE2 3.09Å |
| 713 | R | 88.7 | Confident | 89.1 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 15% | 0.151 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 8.5 | 174.1 | -65.2 | -73 | -176.1 | 146.5 | -9.8 | 113 | A710 A711 F715 F741 M909 F910 D911 | A710-R713 CarbonylContact O-C 3.55Å; A710-R713 WeakPolarHBondContact O-CA 3.34Å; A710-R713 PolarHBondContact O-N 2.97Å; A711-R713 PolarHBondContact O-N 3.26Å; R713-F715 HydrophobicContact CB-CD2 4.04Å; R713-F715 HydrophobicContact CB-CE2 4.36Å; R713-F715 VanDerWaalsContact O-CD2 3.31Å; R713-F715 WeakPolarHBondContact O-CD2 3.49Å; R713-F715 WeakPolarHBondContact O-CE2 3.45Å; R713-F741 HydrophobicContact CB-CE2 4.11Å; R713-F741 HydrophobicContact CB-CZ 3.79Å; R713-F741 HydrophobicContact CG-CE2 3.83Å; R713-F741 HydrophobicContact CG-CZ 4.04Å; R713-M909 PolarHBondContact NE-O 2.68Å; R713-M909 PolarHBondContact NH2-O 2.78Å; R713-F910 HydrophobicContact CG-CD2 3.95Å; R713-F910 HydrophobicContact CG-CE2 4.49Å; R713-D911 IonicContact CZ-OD1 2.69Å; R713-D911 IonicContact NH2-OD1 3.32Å; R713-D911 PolarHBondContact NH2-OD1 2.99Å |
| 714 | G | 91.4 | Very high | 89.3 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 13.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A710 A711 K712 | A710-G714 PolarHBondContact O-N 3.2Å; A711-G714 PolarHBondContact O-N 3.25Å; K712-G714 VanDerWaalsContact C-N 3.33Å |
| 715 | F | 94.4 | Very high | 89.7 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 17% | 0.167 | 31% | 0.312 | C | S | . | . | trans | -111.8 | 140 | -177.8 | -61.7 | -73.7 | 0 | 0 | 0 | 112.7 | A710 A711 R713 A733 L735 F741 | A710-F715 CarbonylContact C-O 3.59Å; A710-F715 VanDerWaalsContact C-O 3.26Å; A710-F715 HydrophobicContact CB-CB 4.33Å; A710-F715 PolarHBondContact O-N 2.77Å; A711-F715 VanDerWaalsContact CA-O 3.27Å; A711-F715 WeakPolarHBondContact CA-O 3.45Å; A711-F715 PolarHBondContact N-O 3.21Å; R713-F715 HydrophobicContact CB-CD2 4.04Å; R713-F715 HydrophobicContact CB-CE2 4.36Å; R713-F715 VanDerWaalsContact O-CD2 3.31Å; R713-F715 WeakPolarHBondContact O-CD2 3.49Å; R713-F715 WeakPolarHBondContact O-CE2 3.45Å; F715-A733 HydrophobicContact CB-CB 4.12Å; F715-A733 HydrophobicContact CD1-CB 3.89Å; F715-A733 HydrophobicContact CD2-CB 4.41Å; F715-A733 HydrophobicContact CE1-CB 4.4Å; F715-A733 HydrophobicContact CG-CB 3.87Å; F715-L735 HydrophobicContact CE2-CD2 3.64Å; F715-L735 HydrophobicContact CE2-CG 3.8Å; F715-L735 HydrophobicContact CZ-CD2 3.73Å; F715-L735 HydrophobicContact CZ-CG 4.06Å; F715-F741 AromaticContact CD2-CE1 3.61Å; F715-F741 HydrophobicContact CD2-CE1 3.61Å; F715-F741 AromaticContact CD2-CZ 3.83Å; F715-F741 HydrophobicContact CD2-CZ 3.83Å; F715-F741 HydrophobicContact CE2-CD1 4.27Å; F715-F741 AromaticContact CE2-CE1 3.39Å; F715-F741 HydrophobicContact CE2-CE1 3.39Å; F715-F741 AromaticContact CE2-CZ 3.92Å; F715-F741 HydrophobicContact CE2-CZ 3.92Å; F715-F741 HydrophobicContact CZ-CE1 4.28Å | ||
| 716 | T | 94.8 | Very high | 90.3 | Very high | 122 Ų | 122 | 50.3 Ų | 50.3 | 75% | 0.748 | 29% | 0.293 | S | S | * | . | trans | -100 | 115.5 | 171.7 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 717 | I | 94.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | trans | -99.8 | 123.7 | 175.3 | -55.9 | -56.9 | 0 | 0 | 0 | 108.6 | A710 T719 L726 L730 A733 | A710-I717 HydrophobicContact CB-CD1 4.26Å; A710-I717 HydrophobicContact CB-CG1 3.44Å; A710-I717 VanDerWaalsContact CB-CG1 3.44Å; I717-T719 HydrophobicContact CG2-CG2 4.06Å; I717-L726 HydrophobicContact CG2-CD1 3.69Å; I717-L730 HydrophobicContact CD1-CD2 4.07Å; I717-L730 HydrophobicContact CG2-CD2 4.41Å; I717-A733 HydrophobicContact CD1-CB 3.97Å | ||
| 718 | V | 92.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | trans | -98.4 | 116.6 | -174.7 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | Q721 A725 L726 S729 | V718-Q721 HydrophobicContact CG1-CB 3.92Å; V718-Q721 HydrophobicContact CG1-CG 4.03Å; V718-A725 HydrophobicContact CB-CB 4.28Å; V718-A725 HydrophobicContact CG1-CB 3.83Å; V718-L726 WeakPolarHBondContact O-CA 3.23Å; V718-L726 WeakPolarHBondContact O-CB 3.46Å; V718-L726 PolarHBondContact O-N 3.11Å; V718-S729 PolarHBondContact N-OG 3.01Å | ||
| 719 | T | 89.3 | Confident | 91 | Very high | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | trans | -118 | -9.5 | -170.3 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | F703 V707 I717 L726 | F703-T719 HydrophobicContact CB-CG2 3.64Å; F703-T719 HydrophobicContact CD1-CG2 3.78Å; F703-T719 HydrophobicContact CD2-CG2 4.11Å; F703-T719 HydrophobicContact CE1-CG2 4.42Å; F703-T719 HydrophobicContact CG-CG2 3.59Å; V707-T719 HydrophobicContact CG2-CG2 3.97Å; I717-T719 HydrophobicContact CG2-CG2 4.06Å; T719-L726 HydrophobicContact CG2-CD1 4.06Å | ||
| 720 | D | 85.7 | Confident | 91.4 | Very high | 121 Ų | 121 | 46 Ų | 46 | 65% | 0.647 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -107.5 | -6.2 | -170.8 | 61.1 | -19.5 | 0 | 0 | 0 | 113.9 | ||
| 721 | Q | 87.6 | Confident | 91.4 | Very high | 141 Ų | 141 | 50.1 Ų | 50.1 | 66% | 0.659 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -109.3 | 28.6 | -177.7 | -63.8 | 172.3 | 35.8 | 0 | 0 | 113.2 | V718 A725 | V718-Q721 HydrophobicContact CG1-CB 3.92Å; V718-Q721 HydrophobicContact CG1-CG 4.03Å; Q721-A725 HydrophobicContact CB-CB 3.66Å |
| 722 | G | 86.5 | Confident | 91.5 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | 81.9 | 176 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K724 A725 L726 | G722-K724 VanDerWaalsContact C-N 3.33Å; G722-K724 PolarHBondContact O-N 3.08Å; G722-A725 PolarHBondContact O-N 3.21Å; G722-L726 PolarHBondContact O-N 2.79Å |
| 723 | G | 88.7 | Confident | 91.9 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -35.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G632 L634 L726 A727 | G632-G723 CarbonylContact O-C 3.54Å; L634-G723 VanDerWaalsContact CD2-O 3.25Å; L634-G723 WeakPolarHBondContact CD2-O 3.37Å; G723-L726 PolarHBondContact O-N 3Å; G723-A727 WeakPolarHBondContact O-CB 3.33Å; G723-A727 PolarHBondContact O-N 3.39Å |
| 724 | K | 92.9 | Very high | 92.1 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 179 | -172.7 | 63.2 | 168.4 | 77.7 | 0 | 112.5 | R629 D630 G722 L726 A727 D728 | R629-K724 WeakPolarHBondContact O-CD 3.09Å; D630-K724 WeakPolarHBondContact O-CE 3.5Å; G722-K724 VanDerWaalsContact C-N 3.33Å; G722-K724 PolarHBondContact O-N 3.08Å; K724-L726 VanDerWaalsContact C-N 3.29Å; K724-L726 PolarHBondContact O-N 2.82Å; K724-A727 PolarHBondContact O-N 3.09Å; K724-D728 IonicContact NZ-OD1 2.72Å; K724-D728 PolarHBondContact NZ-OD1 3.46Å; K724-D728 IonicContact NZ-OD2 2.79Å; K724-D728 PolarHBondContact NZ-OD2 2.97Å; K724-D728 WeakPolarHBondContact O-CB 3.45Å; K724-D728 VanDerWaalsContact O-CG 3.25Å; K724-D728 PolarHBondContact O-N 3.11Å |
| 725 | A | 93.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V718 Q721 G722 S729 | V718-A725 HydrophobicContact CB-CB 4.28Å; V718-A725 HydrophobicContact CG1-CB 3.83Å; Q721-A725 HydrophobicContact CB-CB 3.66Å; G722-A725 PolarHBondContact O-N 3.21Å; A725-S729 WeakPolarHBondContact O-CB 3.45Å; A725-S729 PolarHBondContact O-N 3.03Å; A725-S729 PolarHBondContact O-OG 3.1Å |
| 726 | L | 93.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -51.4 | 173.7 | 179.4 | 58.7 | 0 | 0 | 0 | 111.7 | L634 F703 I717 V718 T719 G722 G723 K724 D728 S729 L730 M753 | L634-L726 HydrophobicContact CD1-CD2 4.11Å; L634-L726 HydrophobicContact CD2-CB 4.32Å; L634-L726 HydrophobicContact CD2-CD2 4.2Å; L634-L726 HydrophobicContact CD2-CG 4.27Å; F703-L726 HydrophobicContact CE1-CD2 4.06Å; F703-L726 HydrophobicContact CZ-CD2 4.02Å; I717-L726 HydrophobicContact CG2-CD1 3.69Å; V718-L726 WeakPolarHBondContact O-CA 3.23Å; V718-L726 WeakPolarHBondContact O-CB 3.46Å; V718-L726 PolarHBondContact O-N 3.11Å; T719-L726 HydrophobicContact CG2-CD1 4.06Å; G722-L726 PolarHBondContact O-N 2.79Å; G723-L726 PolarHBondContact O-N 3Å; K724-L726 VanDerWaalsContact C-N 3.29Å; K724-L726 PolarHBondContact O-N 2.82Å; L726-D728 PolarHBondContact O-N 3.38Å; L726-S729 PolarHBondContact O-N 2.87Å; L726-S729 PolarHBondContact O-OG 3.31Å; L726-L730 HydrophobicContact CD1-CD1 3.98Å; L726-L730 HydrophobicContact CD1-CG 4.2Å; L726-L730 HydrophobicContact CG-CD1 4.03Å; L726-L730 WeakPolarHBondContact O-CG 3.17Å; L726-L730 PolarHBondContact O-N 3.2Å; L726-M753 HydrophobicContact CD2-CE 3.74Å |
| 727 | A | 92.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.8 | -49.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L634 G723 K724 S729 L730 D731 | L634-A727 HydrophobicContact CD2-CB 4.02Å; G723-A727 WeakPolarHBondContact O-CB 3.33Å; G723-A727 PolarHBondContact O-N 3.39Å; K724-A727 PolarHBondContact O-N 3.09Å; A727-S729 VanDerWaalsContact C-N 3.34Å; A727-S729 PolarHBondContact O-N 3.48Å; A727-L730 PolarHBondContact O-N 2.9Å; A727-D731 WeakPolarHBondContact O-CB 3.26Å; A727-D731 VanDerWaalsContact O-CG 3.27Å; A727-D731 PolarHBondContact O-N 3.23Å |
| 728 | D | 94.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | -177.8 | -70.4 | -13.5 | 0 | 0 | 0 | 112.6 | K724 L726 K732 | K724-D728 IonicContact NZ-OD1 2.72Å; K724-D728 PolarHBondContact NZ-OD1 3.46Å; K724-D728 IonicContact NZ-OD2 2.79Å; K724-D728 PolarHBondContact NZ-OD2 2.97Å; K724-D728 WeakPolarHBondContact O-CB 3.45Å; K724-D728 VanDerWaalsContact O-CG 3.25Å; K724-D728 PolarHBondContact O-N 3.11Å; L726-D728 PolarHBondContact O-N 3.38Å; D728-K732 WeakPolarHBondContact O-CD 3.25Å; D728-K732 VanDerWaalsContact O-CG 3.26Å; D728-K732 WeakPolarHBondContact O-CG 3.36Å; D728-K732 PolarHBondContact O-N 3.45Å |
| 729 | S | 95.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 176 | 70.9 | 0 | 0 | 0 | 0 | 112 | V718 A725 L726 A727 K732 A733 | V718-S729 PolarHBondContact N-OG 3.01Å; A725-S729 WeakPolarHBondContact O-CB 3.45Å; A725-S729 PolarHBondContact O-N 3.03Å; A725-S729 PolarHBondContact O-OG 3.1Å; L726-S729 PolarHBondContact O-N 2.87Å; L726-S729 PolarHBondContact O-OG 3.31Å; A727-S729 VanDerWaalsContact C-N 3.34Å; A727-S729 PolarHBondContact O-N 3.48Å; S729-K732 PolarHBondContact O-N 2.88Å; S729-A733 PolarHBondContact O-N 2.91Å |
| 730 | L | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68 | -40.9 | 172.8 | -70.8 | 169 | 0 | 0 | 0 | 111.8 | L636 I717 L726 A727 K732 A733 N742 L745 A749 | L636-L730 HydrophobicContact CD2-CD1 4.03Å; I717-L730 HydrophobicContact CD1-CD2 4.07Å; I717-L730 HydrophobicContact CG2-CD2 4.41Å; L726-L730 HydrophobicContact CD1-CD1 3.98Å; L726-L730 HydrophobicContact CD1-CG 4.2Å; L726-L730 HydrophobicContact CG-CD1 4.03Å; L726-L730 WeakPolarHBondContact O-CG 3.17Å; L726-L730 PolarHBondContact O-N 3.2Å; A727-L730 PolarHBondContact O-N 2.9Å; L730-K732 PolarHBondContact O-N 3.49Å; L730-A733 PolarHBondContact O-N 3.45Å; L730-A733 VanDerWaalsContact O-N 3.11Å; L730-N742 PolarHBondContact O-ND2 2.87Å; L730-L745 HydrophobicContact CD2-CB 4.3Å; L730-A749 HydrophobicContact CD1-CB 4.21Å |
| 731 | D | 92.6 | Very high | 91 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -32.7 | 178 | -73.7 | -5.1 | 0 | 0 | 0 | 112.1 | A727 R746 | A727-D731 WeakPolarHBondContact O-CB 3.26Å; A727-D731 VanDerWaalsContact O-CG 3.27Å; A727-D731 PolarHBondContact O-N 3.23Å; D731-R746 IonicContact OD1-CZ 2.75Å; D731-R746 IonicContact OD1-NH1 3.2Å; D731-R746 PolarHBondContact OD1-NH1 3.31Å; D731-R746 IonicContact OD1-NH2 3.45Å; D731-R746 PolarHBondContact OD1-NH2 3.25Å |
| 732 | K | 94 | Very high | 91.2 | Very high | 163 Ų | 163 | 53.8 Ų | 53.8 | 71% | 0.709 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -78.1 | -18.9 | 176.2 | -69.4 | 168.3 | -171.5 | 174.3 | 0 | 113.5 | D728 S729 L730 V734 | D728-K732 WeakPolarHBondContact O-CD 3.25Å; D728-K732 VanDerWaalsContact O-CG 3.26Å; D728-K732 WeakPolarHBondContact O-CG 3.36Å; D728-K732 PolarHBondContact O-N 3.45Å; S729-K732 PolarHBondContact O-N 2.88Å; L730-K732 PolarHBondContact O-N 3.49Å; K732-V734 VanDerWaalsContact C-N 3.32Å; K732-V734 PolarHBondContact O-N 3.39Å |
| 733 | A | 93.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | trans | -83.2 | 70.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F715 I717 S729 L730 N742 L745 | F715-A733 HydrophobicContact CB-CB 4.12Å; F715-A733 HydrophobicContact CD1-CB 3.89Å; F715-A733 HydrophobicContact CD2-CB 4.41Å; F715-A733 HydrophobicContact CE1-CB 4.4Å; F715-A733 HydrophobicContact CG-CB 3.87Å; I717-A733 HydrophobicContact CD1-CB 3.97Å; S729-A733 PolarHBondContact O-N 2.91Å; L730-A733 PolarHBondContact O-N 3.45Å; L730-A733 VanDerWaalsContact O-N 3.11Å; A733-N742 PolarHBondContact O-ND2 3.44Å; A733-L745 HydrophobicContact CB-CD1 3.55Å | ||
| 734 | V | 93.1 | Very high | 91.4 | Very high | 77 Ų | 77 | 54 Ų | 54 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | trans | -122 | 123.5 | -177 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | K732 N742 | K732-V734 VanDerWaalsContact C-N 3.32Å; K732-V734 PolarHBondContact O-N 3.39Å; V734-N742 HydrophobicContact CG2-CB 4.43Å | ||
| 735 | L | 90 | Very high | 91.3 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | trans | -92.7 | 122.6 | 167.1 | -68.7 | 176.1 | 0 | 0 | 0 | 108.7 | F715 D737 Q738 F741 | F715-L735 HydrophobicContact CE2-CD2 3.64Å; F715-L735 HydrophobicContact CE2-CG 3.8Å; F715-L735 HydrophobicContact CZ-CD2 3.73Å; F715-L735 HydrophobicContact CZ-CG 4.06Å; L735-D737 VanDerWaalsContact C-N 3.31Å; L735-D737 PolarHBondContact O-N 2.83Å; L735-Q738 HydrophobicContact CB-CB 4Å; L735-Q738 HydrophobicContact CD1-CB 4.41Å; L735-Q738 CarbonylContact O-C 3.51Å; L735-Q738 PolarHBondContact O-N 2.88Å; L735-F741 HydrophobicContact CB-CB 4.37Å; L735-F741 HydrophobicContact CB-CD1 4.21Å; L735-F741 HydrophobicContact CB-CG 4.42Å; L735-F741 HydrophobicContact CD1-CB 4.19Å; L735-F741 HydrophobicContact CD1-CD1 3.82Å; L735-F741 HydrophobicContact CD1-CD2 3.92Å; L735-F741 HydrophobicContact CD1-CE1 4.13Å; L735-F741 HydrophobicContact CD1-CE2 4.24Å; L735-F741 HydrophobicContact CD1-CG 3.69Å; L735-F741 HydrophobicContact CD1-CZ 4.33Å; L735-F741 HydrophobicContact CG-CD1 3.71Å; L735-F741 HydrophobicContact CG-CE1 4.05Å; L735-F741 HydrophobicContact CG-CG 4.06Å | ||
| 736 | K | 87.1 | Confident | 91.2 | Very high | 206 Ų | 206 | 51.1 Ų | 51.1 | 90% | 0.896 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -66.4 | -33.9 | -174 | -69.8 | -177.3 | 178.8 | 178.8 | 0 | 112.9 | ||
| 737 | D | 88.3 | Confident | 91 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -80.7 | -18.4 | 177.7 | 59.4 | -53.2 | 0 | 0 | 0 | 113.1 | L735 | L735-D737 VanDerWaalsContact C-N 3.31Å; L735-D737 PolarHBondContact O-N 2.83Å |
| 738 | Q | 88.5 | Confident | 90.9 | Very high | 55 Ų | 55 | 51.2 Ų | 51.2 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | trans | -128.5 | 76.6 | -177.5 | -68.8 | 166.8 | 46.3 | 0 | 0 | 110.9 | L735 Y740 F741 | L735-Q738 HydrophobicContact CB-CB 4Å; L735-Q738 HydrophobicContact CD1-CB 4.41Å; L735-Q738 CarbonylContact O-C 3.51Å; L735-Q738 PolarHBondContact O-N 2.88Å; Q738-Y740 PolarHBondContact O-N 3.4Å; Q738-Y740 VanDerWaalsContact O-N 3.12Å; Q738-F741 HydrophobicContact CB-CB 4.12Å; Q738-F741 WeakPolarHBondContact O-CB 3.46Å; Q738-F741 PolarHBondContact O-N 2.6Å | ||
| 739 | P | 84.5 | Confident | 90.7 | Very high | 107 Ų | 107 | 48.8 Ų | 48.8 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -32.6 | -175.3 | -25.6 | 34.1 | 0 | 0 | 0 | 114.1 | F741 | P739-F741 VanDerWaalsContact C-N 3.28Å; P739-F741 PolarHBondContact O-N 2.89Å |
| 740 | Y | 88.1 | Confident | 90.5 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.5 | -15.7 | -178.9 | -162.8 | -105.2 | 0 | 0 | 0 | 113.6 | L639 Q738 N742 T743 M744 Y858 L870 P872 | L639-Y740 WeakPolarHBondContact CD2-OH 3.1Å; Q738-Y740 PolarHBondContact O-N 3.4Å; Q738-Y740 VanDerWaalsContact O-N 3.12Å; Y740-N742 VanDerWaalsContact C-N 3.31Å; Y740-N742 PolarHBondContact O-N 3.16Å; Y740-T743 HydrophobicContact CD2-CG2 4.32Å; Y740-T743 HydrophobicContact CE2-CG2 3.75Å; Y740-T743 WeakPolarHBondContact O-CB 3.26Å; Y740-T743 PolarHBondContact O-N 3.38Å; Y740-M744 HydrophobicContact CD1-CG 3.51Å; Y740-M744 HydrophobicContact CD1-SD 4.04Å; Y740-M744 HydrophobicContact CE1-CG 3.55Å; Y740-M744 HydrophobicContact CE1-SD 4.42Å; Y740-M744 PolarHBondContact O-N 2.69Å; Y740-Y858 HydrophobicContact CD1-CD1 4.45Å; Y740-Y858 AromaticContact CD1-CD2 3.79Å; Y740-Y858 HydrophobicContact CD1-CD2 3.79Å; Y740-Y858 HydrophobicContact CD1-CE1 4.23Å; Y740-Y858 AromaticContact CD1-CE2 3.57Å; Y740-Y858 HydrophobicContact CD1-CE2 3.57Å; Y740-Y858 HydrophobicContact CD1-CG 4.24Å; Y740-Y858 AromaticContact CD1-CZ 3.79Å; Y740-Y858 HydrophobicContact CE1-CD2 4.01Å; Y740-Y858 HydrophobicContact CE1-CE2 4.08Å; Y740-Y858 HydrophobicContact CG-CE2 4.17Å; Y740-L870 HydrophobicContact CE1-CD2 3.99Å; Y740-P872 HydrophobicContact CD1-CG 4.29Å; Y740-P872 HydrophobicContact CE1-CB 4.23Å; Y740-P872 HydrophobicContact CE1-CG 3.56Å; Y740-P872 HydrophobicContact CE2-CB 4.15Å; Y740-P872 HydrophobicContact CE2-CG 4.31Å; Y740-P872 WeakPolarHBondContact OH-CB 3.2Å |
| 741 | F | 91.5 | Very high | 90 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.6 | -44.3 | -179.6 | 172.4 | -105.7 | 0 | 0 | 0 | 112.8 | R713 F715 L735 Q738 P739 T743 M744 L745 F910 | R713-F741 HydrophobicContact CB-CE2 4.11Å; R713-F741 HydrophobicContact CB-CZ 3.79Å; R713-F741 HydrophobicContact CG-CE2 3.83Å; R713-F741 HydrophobicContact CG-CZ 4.04Å; F715-F741 AromaticContact CD2-CE1 3.61Å; F715-F741 HydrophobicContact CD2-CE1 3.61Å; F715-F741 AromaticContact CD2-CZ 3.83Å; F715-F741 HydrophobicContact CD2-CZ 3.83Å; F715-F741 HydrophobicContact CE2-CD1 4.27Å; F715-F741 AromaticContact CE2-CE1 3.39Å; F715-F741 HydrophobicContact CE2-CE1 3.39Å; F715-F741 AromaticContact CE2-CZ 3.92Å; F715-F741 HydrophobicContact CE2-CZ 3.92Å; F715-F741 HydrophobicContact CZ-CE1 4.28Å; L735-F741 HydrophobicContact CB-CB 4.37Å; L735-F741 HydrophobicContact CB-CD1 4.21Å; L735-F741 HydrophobicContact CB-CG 4.42Å; L735-F741 HydrophobicContact CD1-CB 4.19Å; L735-F741 HydrophobicContact CD1-CD1 3.82Å; L735-F741 HydrophobicContact CD1-CD2 3.92Å; L735-F741 HydrophobicContact CD1-CE1 4.13Å; L735-F741 HydrophobicContact CD1-CE2 4.24Å; L735-F741 HydrophobicContact CD1-CG 3.69Å; L735-F741 HydrophobicContact CD1-CZ 4.33Å; L735-F741 HydrophobicContact CG-CD1 3.71Å; L735-F741 HydrophobicContact CG-CE1 4.05Å; L735-F741 HydrophobicContact CG-CG 4.06Å; Q738-F741 HydrophobicContact CB-CB 4.12Å; Q738-F741 WeakPolarHBondContact O-CB 3.46Å; Q738-F741 PolarHBondContact O-N 2.6Å; P739-F741 VanDerWaalsContact C-N 3.28Å; P739-F741 PolarHBondContact O-N 2.89Å; F741-T743 VanDerWaalsContact C-N 3.31Å; F741-T743 PolarHBondContact O-N 2.67Å; F741-M744 WeakPolarHBondContact O-CB 3.49Å; F741-M744 PolarHBondContact O-N 2.77Å; F741-L745 HydrophobicContact CD1-CD1 4.06Å; F741-L745 HydrophobicContact CE1-CD1 3.33Å; F741-L745 HydrophobicContact CE1-CG 4.02Å; F741-L745 HydrophobicContact CE2-CD1 4.28Å; F741-L745 HydrophobicContact CE2-CD2 4.44Å; F741-L745 HydrophobicContact CE2-CG 4.13Å; F741-L745 HydrophobicContact CZ-CD1 3.46Å; F741-L745 VanDerWaalsContact CZ-CD1 3.46Å; F741-L745 HydrophobicContact CZ-CD2 4.15Å; F741-L745 HydrophobicContact CZ-CG 3.8Å; F741-L745 PolarHBondContact O-N 3.24Å; F741-F910 HydrophobicContact CD2-CB 3.95Å; F741-F910 HydrophobicContact CD2-CD1 4.01Å; F741-F910 HydrophobicContact CD2-CD2 4.4Å; F741-F910 AromaticContact CD2-CG 3.89Å; F741-F910 HydrophobicContact CD2-CG 3.89Å; F741-F910 HydrophobicContact CE2-CB 4.08Å; F741-F910 AromaticContact CE2-CD1 3.97Å; F741-F910 HydrophobicContact CE2-CD1 3.97Å; F741-F910 AromaticContact CE2-CD2 3.72Å; F741-F910 HydrophobicContact CE2-CD2 3.72Å; F741-F910 HydrophobicContact CE2-CE1 4.34Å; F741-F910 HydrophobicContact CE2-CE2 4.05Å; F741-F910 AromaticContact CE2-CG 3.67Å; F741-F910 HydrophobicContact CE2-CG 3.67Å; F741-F910 HydrophobicContact CE2-CZ 4.37Å |
| 742 | N | 91.6 | Very high | 89.8 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 178.8 | -169.7 | -99.2 | 0 | 0 | 0 | 111.7 | L730 A733 V734 Y740 M744 L745 R746 | L730-N742 PolarHBondContact O-ND2 2.87Å; A733-N742 PolarHBondContact O-ND2 3.44Å; V734-N742 HydrophobicContact CG2-CB 4.43Å; Y740-N742 VanDerWaalsContact C-N 3.31Å; Y740-N742 PolarHBondContact O-N 3.16Å; N742-M744 VanDerWaalsContact C-N 3.33Å; N742-M744 PolarHBondContact O-N 3.37Å; N742-L745 PolarHBondContact O-N 3.09Å; N742-R746 WeakPolarHBondContact O-CG 3.43Å; N742-R746 PolarHBondContact O-N 2.98Å; N742-R746 PolarHBondContact OD1-NE 3.31Å; N742-R746 PolarHBondContact OD1-NH2 2.94Å |
| 743 | T | 89.5 | Confident | 89.5 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | 175.5 | -55 | 0 | 0 | 0 | 0 | 110.9 | A637 Y740 F741 R746 I747 | A637-T743 HydrophobicContact CB-CG2 4.01Å; Y740-T743 HydrophobicContact CD2-CG2 4.32Å; Y740-T743 HydrophobicContact CE2-CG2 3.75Å; Y740-T743 WeakPolarHBondContact O-CB 3.26Å; Y740-T743 PolarHBondContact O-N 3.38Å; F741-T743 VanDerWaalsContact C-N 3.31Å; F741-T743 PolarHBondContact O-N 2.67Å; T743-R746 PolarHBondContact O-N 3.19Å; T743-I747 HydrophobicContact CG2-CD1 4.1Å; T743-I747 WeakPolarHBondContact O-CG1 3.33Å; T743-I747 PolarHBondContact O-N 3.45Å |
| 744 | M | 90.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.3 | -66 | -179.3 | 69.3 | 0 | 0 | 112.5 | Y740 F741 N742 R746 I747 M748 Y858 L860 L870 F910 | Y740-M744 HydrophobicContact CD1-CG 3.51Å; Y740-M744 HydrophobicContact CD1-SD 4.04Å; Y740-M744 HydrophobicContact CE1-CG 3.55Å; Y740-M744 HydrophobicContact CE1-SD 4.42Å; Y740-M744 PolarHBondContact O-N 2.69Å; F741-M744 WeakPolarHBondContact O-CB 3.49Å; F741-M744 PolarHBondContact O-N 2.77Å; N742-M744 VanDerWaalsContact C-N 3.33Å; N742-M744 PolarHBondContact O-N 3.37Å; M744-R746 VanDerWaalsContact C-N 3.26Å; M744-R746 PolarHBondContact O-N 3.02Å; M744-I747 PolarHBondContact O-N 3.3Å; M744-M748 WeakPolarHBondContact O-CG 3.14Å; M744-M748 PolarHBondContact O-N 3.08Å; M744-Y858 HydrophobicContact CE-CG 4.2Å; M744-Y858 WeakPolarHBondContact SD-CB 3.48Å; M744-Y858 HydrophobicContact SD-CD1 3.62Å; M744-Y858 HydrophobicContact SD-CD2 4.48Å; M744-Y858 HydrophobicContact SD-CE1 4.47Å; M744-Y858 HydrophobicContact SD-CG 3.62Å; M744-L860 HydrophobicContact CE-CD2 3.74Å; M744-L870 HydrophobicContact CG-CD2 4.43Å; M744-F910 HydrophobicContact CB-CD1 3.92Å; M744-F910 HydrophobicContact CB-CE1 4.01Å; M744-F910 HydrophobicContact CE-CB 4.4Å; M744-F910 HydrophobicContact CE-CD1 3.52Å; M744-F910 HydrophobicContact CE-CE1 4.27Å; M744-F910 HydrophobicContact CE-CG 4.39Å; M744-F910 HydrophobicContact SD-CD1 3.97Å |
| 745 | L | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.5 | -41.6 | 174.9 | -78 | 178.9 | 0 | 0 | 0 | 111.4 | L706 A710 L730 A733 F741 N742 M748 A749 F910 | L706-L745 HydrophobicContact CD1-CD2 3.61Å; A710-L745 HydrophobicContact CB-CD2 4.01Å; L730-L745 HydrophobicContact CD2-CB 4.3Å; A733-L745 HydrophobicContact CB-CD1 3.55Å; F741-L745 HydrophobicContact CD1-CD1 4.06Å; F741-L745 HydrophobicContact CE1-CD1 3.33Å; F741-L745 HydrophobicContact CE1-CG 4.02Å; F741-L745 HydrophobicContact CE2-CD1 4.28Å; F741-L745 HydrophobicContact CE2-CD2 4.44Å; F741-L745 HydrophobicContact CE2-CG 4.13Å; F741-L745 HydrophobicContact CZ-CD1 3.46Å; F741-L745 VanDerWaalsContact CZ-CD1 3.46Å; F741-L745 HydrophobicContact CZ-CD2 4.15Å; F741-L745 HydrophobicContact CZ-CG 3.8Å; F741-L745 PolarHBondContact O-N 3.24Å; N742-L745 PolarHBondContact O-N 3.09Å; L745-M748 PolarHBondContact O-N 3.43Å; L745-A749 WeakPolarHBondContact O-CB 3.13Å; L745-A749 PolarHBondContact O-N 3.25Å; L745-F910 HydrophobicContact CD2-CE1 4.11Å; L745-F910 HydrophobicContact CD2-CE2 4.28Å; L745-F910 HydrophobicContact CD2-CZ 3.61Å; L745-F910 HydrophobicContact CG-CE1 4.49Å; L745-F910 HydrophobicContact CG-CZ 4.43Å |
| 746 | R | 92.3 | Very high | 89 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 13% | 0.125 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 176.2 | -70.4 | -178.8 | -166.3 | -85.3 | -10.4 | 112.8 | T635 A637 D731 N742 T743 M744 M748 A749 T750 | T635-R746 PolarHBondContact O-NH1 3.33Å; A637-R746 HydrophobicContact CB-CB 3.7Å; D731-R746 IonicContact OD1-CZ 2.75Å; D731-R746 IonicContact OD1-NH1 3.2Å; D731-R746 PolarHBondContact OD1-NH1 3.31Å; D731-R746 IonicContact OD1-NH2 3.45Å; D731-R746 PolarHBondContact OD1-NH2 3.25Å; N742-R746 WeakPolarHBondContact O-CG 3.43Å; N742-R746 PolarHBondContact O-N 2.98Å; N742-R746 PolarHBondContact OD1-NE 3.31Å; N742-R746 PolarHBondContact OD1-NH2 2.94Å; T743-R746 PolarHBondContact O-N 3.19Å; M744-R746 VanDerWaalsContact C-N 3.26Å; M744-R746 PolarHBondContact O-N 3.02Å; R746-M748 VanDerWaalsContact C-N 3.3Å; R746-M748 PolarHBondContact O-N 3.33Å; R746-A749 PolarHBondContact O-N 2.76Å; R746-T750 PolarHBondContact O-N 3.49Å; R746-T750 PolarHBondContact O-OG1 3.13Å |
| 747 | I | 88.7 | Confident | 89.3 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 173.8 | -71.8 | 166.1 | 0 | 0 | 0 | 110 | A637 L639 T743 M744 T750 R751 L870 | A637-I747 HydrophobicContact CB-CG1 3.96Å; L639-I747 HydrophobicContact CD1-CD1 4.38Å; L639-I747 HydrophobicContact CD2-CD1 3.83Å; L639-I747 HydrophobicContact CG-CD1 3.95Å; T743-I747 HydrophobicContact CG2-CD1 4.1Å; T743-I747 WeakPolarHBondContact O-CG1 3.33Å; T743-I747 PolarHBondContact O-N 3.45Å; M744-I747 PolarHBondContact O-N 3.3Å; I747-T750 WeakPolarHBondContact O-CB 3.39Å; I747-T750 PolarHBondContact O-N 2.86Å; I747-R751 WeakPolarHBondContact O-CG 3.32Å; I747-R751 PolarHBondContact O-N 3.2Å; I747-L870 HydrophobicContact CD1-CD2 4.1Å |
| 748 | M | 89.1 | Confident | 89.8 | Confident | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 175.9 | -71.5 | -179 | 69.8 | 0 | 0 | 111.8 | L706 A709 M744 L745 R746 T750 R751 C752 F861 M909 F910 | L706-M748 HydrophobicContact CD1-CB 3.8Å; L706-M748 HydrophobicContact CD1-CE 4.34Å; L706-M748 HydrophobicContact CD1-SD 4.4Å; A709-M748 HydrophobicContact CB-CE 4.37Å; M744-M748 WeakPolarHBondContact O-CG 3.14Å; M744-M748 PolarHBondContact O-N 3.08Å; L745-M748 PolarHBondContact O-N 3.43Å; R746-M748 VanDerWaalsContact C-N 3.3Å; R746-M748 PolarHBondContact O-N 3.33Å; M748-T750 VanDerWaalsContact C-N 3.28Å; M748-T750 PolarHBondContact O-N 3.33Å; M748-R751 WeakPolarHBondContact O-CB 3.23Å; M748-R751 PolarHBondContact O-N 2.98Å; M748-C752 PolarHBondContact O-N 3.11Å; M748-C752 PolarHBondContact O-SG 3.15Å; M748-C752 VanDerWaalsContact O-SG 3.41Å; M748-F861 HydrophobicContact CE-CE1 3.85Å; M748-F861 HydrophobicContact CE-CZ 3.95Å; M748-M909 HydrophobicContact CE-CE 3.57Å; M748-M909 HydrophobicContact SD-CE 4.39Å; M748-F910 HydrophobicContact CE-CZ 4.32Å; M748-F910 HydrophobicContact SD-CE1 3.4Å; M748-F910 WeakPolarHBondContact SD-CE1 3.34Å; M748-F910 HydrophobicContact SD-CZ 3.38Å; M748-F910 WeakPolarHBondContact SD-CZ 3.47Å |
| 749 | A | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.2 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L636 L706 L730 L745 R746 R751 C752 M753 | L636-A749 HydrophobicContact CD2-CB 4.07Å; L706-A749 HydrophobicContact CD2-CB 3.73Å; L730-A749 HydrophobicContact CD1-CB 4.21Å; L745-A749 WeakPolarHBondContact O-CB 3.13Å; L745-A749 PolarHBondContact O-N 3.25Å; R746-A749 PolarHBondContact O-N 2.76Å; A749-R751 PolarHBondContact O-N 3.31Å; A749-C752 WeakPolarHBondContact O-CB 3.4Å; A749-C752 PolarHBondContact O-N 3.36Å; A749-C752 VanDerWaalsContact O-N 3.08Å; A749-M753 WeakPolarHBondContact O-CE 3.34Å; A749-M753 WeakPolarHBondContact O-CG 3.44Å; A749-M753 PolarHBondContact O-N 2.66Å |
| 750 | T | 90 | Very high | 90.8 | Very high | 54 Ų | 54 | 24.6 Ų | 24.6 | 33% | 0.331 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -55.3 | -37.4 | 173.3 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | L636 A637 R746 I747 M748 C752 M753 | L636-T750 VanDerWaalsContact CB-OG1 3.23Å; L636-T750 WeakPolarHBondContact CB-OG1 3.5Å; A637-T750 PolarHBondContact O-OG1 2.97Å; R746-T750 PolarHBondContact O-N 3.49Å; R746-T750 PolarHBondContact O-OG1 3.13Å; I747-T750 WeakPolarHBondContact O-CB 3.39Å; I747-T750 PolarHBondContact O-N 2.86Å; M748-T750 VanDerWaalsContact C-N 3.28Å; M748-T750 PolarHBondContact O-N 3.33Å; T750-C752 VanDerWaalsContact C-N 3.34Å; T750-M753 WeakPolarHBondContact O-CB 3.25Å; T750-M753 PolarHBondContact O-N 3.33Å |
| 751 | R | 84.5 | Confident | 91.1 | Very high | 93 Ų | 93 | 22.4 Ų | 22.4 | 35% | 0.351 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -73.4 | -26 | 179.4 | -60 | 174 | -159 | -151.8 | 0.7 | 113.3 | I747 M748 A749 M753 E877 | I747-R751 WeakPolarHBondContact O-CG 3.32Å; I747-R751 PolarHBondContact O-N 3.2Å; M748-R751 WeakPolarHBondContact O-CB 3.23Å; M748-R751 PolarHBondContact O-N 2.98Å; A749-R751 PolarHBondContact O-N 3.31Å; R751-M753 VanDerWaalsContact C-N 3.27Å; R751-E877 IonicContact CZ-OE1 3.69Å; R751-E877 VanDerWaalsContact CZ-OE1 3.27Å; R751-E877 IonicContact CZ-OE2 3.82Å; R751-E877 IonicContact NH1-OE1 3.76Å; R751-E877 PolarHBondContact NH1-OE1 3.07Å; R751-E877 IonicContact NH1-OE2 3.22Å; R751-E877 PolarHBondContact NH1-OE2 3.09Å; R751-E877 IonicContact NH2-OE1 3.48Å; R751-E877 PolarHBondContact NH2-OE1 2.85Å; R751-E877 IonicContact NH2-OE2 2.84Å; R751-E877 PolarHBondContact NH2-OE2 3.06Å |
| 752 | C | 88 | Confident | 91.2 | Very high | 13 Ų | 13 | 23 Ų | 23 | 9% | 0.088 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -74.1 | -21.2 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 112 | P698 R702 F703 M748 A749 T750 | P698-C752 VanDerWaalsContact CB-O 3.31Å; P698-C752 WeakPolarHBondContact CB-O 3.48Å; R702-C752 HydrophobicContact CB-CB 4.39Å; R702-C752 VanDerWaalsContact CD-O 3.29Å; R702-C752 WeakPolarHBondContact CD-O 3.42Å; R702-C752 PolarHBondContact O-SG 3.28Å; F703-C752 HydrophobicContact CD1-CB 3.46Å; F703-C752 VanDerWaalsContact CD1-CB 3.46Å; F703-C752 HydrophobicContact CD2-CB 4.46Å; F703-C752 HydrophobicContact CE1-CB 3.45Å; F703-C752 VanDerWaalsContact CE1-CB 3.45Å; F703-C752 HydrophobicContact CE2-CB 4.47Å; F703-C752 HydrophobicContact CG-CB 4Å; F703-C752 HydrophobicContact CZ-CB 3.99Å; M748-C752 PolarHBondContact O-N 3.11Å; M748-C752 PolarHBondContact O-SG 3.15Å; M748-C752 VanDerWaalsContact O-SG 3.41Å; A749-C752 WeakPolarHBondContact O-CB 3.4Å; A749-C752 PolarHBondContact O-N 3.36Å; A749-C752 VanDerWaalsContact O-N 3.08Å; T750-C752 VanDerWaalsContact C-N 3.34Å |
| 753 | M | 87.9 | Confident | 91.2 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 9% | 0.089 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -65.2 | 154.9 | -178.2 | -60.7 | -62.4 | 143.2 | 0 | 0 | 112.6 | L634 L636 P698 R702 F703 L726 A749 T750 R751 F772 | L634-M753 HydrophobicContact CD1-CE 3.94Å; L634-M753 HydrophobicContact CD1-SD 4.04Å; L636-M753 HydrophobicContact CD1-CE 3.8Å; L636-M753 HydrophobicContact CD1-CG 3.66Å; L636-M753 HydrophobicContact CD1-SD 4.17Å; P698-M753 HydrophobicContact CG-SD 3.76Å; R702-M753 PolarHBondContact NH1-O 2.81Å; F703-M753 HydrophobicContact CE1-CE 3.57Å; F703-M753 HydrophobicContact CZ-CE 3.4Å; F703-M753 VanDerWaalsContact CZ-CE 3.4Å; F703-M753 HydrophobicContact CZ-SD 4.23Å; L726-M753 HydrophobicContact CD2-CE 3.74Å; A749-M753 WeakPolarHBondContact O-CE 3.34Å; A749-M753 WeakPolarHBondContact O-CG 3.44Å; A749-M753 PolarHBondContact O-N 2.66Å; T750-M753 WeakPolarHBondContact O-CB 3.25Å; T750-M753 PolarHBondContact O-N 3.33Å; R751-M753 VanDerWaalsContact C-N 3.27Å; M753-F772 HydrophobicContact CE-CE1 4.5Å; M753-F772 HydrophobicContact SD-CD1 4.2Å; M753-F772 HydrophobicContact SD-CE1 3.93Å |
| 754 | T | 87.3 | Confident | 91.2 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 166.9 | 166.2 | 66.1 | 0 | 0 | 0 | 0 | 109.4 | H695 P696 P698 | H695-T754 PolarHBondContact CD2-OG1 3.26Å; H695-T754 VanDerWaalsContact CD2-OG1 3.23Å; H695-T754 PolarHBondContact NE2-O 3.16Å; P696-T754 PolarHBondContact O-OG1 2.74Å; P698-T754 HydrophobicContact CB-CG2 4.06Å; P698-T754 HydrophobicContact CG-CG2 4.37Å |
| 755 | T | 87.3 | Confident | 91.3 | Very high | 86 Ų | 86 | 31.3 Ų | 31.3 | 53% | 0.528 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -83 | 137.7 | 172.1 | 53.9 | 0 | 0 | 0 | 0 | 110 | ||
| 756 | A | 90.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 132.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R693 R694 H695 | R693-A756 PolarHBondContact NH2-O 3.14Å; R694-A756 CarbonylContact O-C 3.46Å; R694-A756 WeakPolarHBondContact O-CA 3.34Å; R694-A756 WeakPolarHBondContact O-CB 3.42Å; H695-A756 HydrophobicContact CB-CB 3.98Å |
| 757 | V | 95.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 41 Ų | 41 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.2 | -170.8 | -67.3 | 0 | 0 | 0 | 0 | 112 | R693 R694 N826 | R693-V757 WeakPolarHBondContact CA-O 3.34Å; R693-V757 WeakPolarHBondContact CG-O 3.39Å; R694-V757 HydrophobicContact CG-CG2 3.91Å; R694-V757 PolarHBondContact N-O 3.09Å; R694-V757 PolarHBondContact O-N 2.76Å; V757-N826 VanDerWaalsContact CA-OD1 3.26Å; V757-N826 WeakPolarHBondContact CA-OD1 3.15Å |
| 758 | Y | 97.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 147.1 | 167.9 | -57.3 | -73.6 | 0 | 0 | 0 | 110.6 | L691 L692 R693 H781 A790 L825 N826 | L691-Y758 HydrophobicContact CD2-CD1 3.78Å; L691-Y758 HydrophobicContact CD2-CE1 4.46Å; L691-Y758 HydrophobicContact CD2-CG 4.47Å; L692-Y758 CarbonylContact O-C 3.53Å; L692-Y758 VanDerWaalsContact O-CA 3.29Å; L692-Y758 WeakPolarHBondContact O-CA 3.31Å; R693-Y758 HydrophobicContact CB-CD1 3.95Å; R693-Y758 HydrophobicContact CB-CE1 4.27Å; R693-Y758 HydrophobicContact CG-CD1 4.08Å; R693-Y758 HydrophobicContact CG-CE1 4.27Å; Y758-H781 HydrophobicContact CE1-CB 4.4Å; Y758-H781 AromaticContact CE1-ND1 3.49Å; Y758-H781 WeakPolarHBondContact CE1-ND1 3.38Å; Y758-H781 AromaticContact CZ-CE1 3.97Å; Y758-H781 AromaticContact CZ-ND1 3.5Å; Y758-H781 PolarHBondContact OH-CE1 3.33Å; Y758-H781 VanDerWaalsContact OH-CE1 3.29Å; Y758-H781 PolarHBondContact OH-ND1 3.47Å; Y758-A790 HydrophobicContact CD1-CB 4.11Å; Y758-A790 HydrophobicContact CE1-CB 3.48Å; Y758-A790 VanDerWaalsContact CE1-CB 3.48Å; Y758-A790 HydrophobicContact CE2-CB 4.42Å; Y758-L825 HydrophobicContact CD2-CB 3.6Å; Y758-L825 HydrophobicContact CD2-CD1 4.41Å; Y758-L825 HydrophobicContact CE2-CB 3.94Å; Y758-L825 HydrophobicContact CG-CB 4.38Å; Y758-L825 HydrophobicContact CG-CD1 4.5Å; Y758-N826 WeakPolarHBondContact CD2-OD1 3.42Å; Y758-N826 PolarHBondContact N-OD1 3.27Å; Y758-N826 PolarHBondContact O-ND2 3.02Å |
| 759 | F | 96.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 156.3 | 175.9 | 71.7 | -78.7 | 0 | 0 | 0 | 111.3 | L692 R694 T761 L764 Y769 | L692-F759 HydrophobicContact CB-CD1 4.28Å; L692-F759 HydrophobicContact CB-CE1 3.57Å; L692-F759 HydrophobicContact CB-CE2 4.3Å; L692-F759 HydrophobicContact CB-CZ 3.59Å; L692-F759 HydrophobicContact CD1-CZ 4.16Å; L692-F759 HydrophobicContact CG-CZ 4.45Å; L692-F759 PolarHBondContact N-O 2.91Å; L692-F759 WeakPolarHBondContact O-CD1 3.34Å; L692-F759 PolarHBondContact O-N 2.82Å; R694-F759 HydrophobicContact CB-CD1 3.97Å; R694-F759 HydrophobicContact CB-CE1 3.62Å; R694-F759 HydrophobicContact CG-CD1 3.68Å; R694-F759 HydrophobicContact CG-CE1 3.87Å; F759-T761 HydrophobicContact CE2-CG2 4.18Å; F759-L764 HydrophobicContact CB-CD1 3.84Å; F759-L764 HydrophobicContact CD2-CB 4.23Å; F759-L764 HydrophobicContact CD2-CD1 3.66Å; F759-L764 HydrophobicContact CD2-CG 4.37Å; F759-L764 HydrophobicContact CE2-CD1 4.42Å; F759-L764 HydrophobicContact CG-CD1 3.84Å; F759-Y769 HydrophobicContact CD2-CE1 4.43Å; F759-Y769 AromaticContact CE2-CD1 3.42Å; F759-Y769 HydrophobicContact CE2-CD1 3.42Å; F759-Y769 VanDerWaalsContact CE2-CD1 3.42Å; F759-Y769 HydrophobicContact CE2-CD2 4.47Å; F759-Y769 AromaticContact CE2-CE1 3.43Å; F759-Y769 HydrophobicContact CE2-CE1 3.43Å; F759-Y769 VanDerWaalsContact CE2-CE1 3.43Å; F759-Y769 HydrophobicContact CE2-CE2 4.46Å; F759-Y769 AromaticContact CE2-CG 4Å; F759-Y769 HydrophobicContact CE2-CG 4Å; F759-Y769 AromaticContact CE2-CZ 3.98Å; F759-Y769 AromaticContact CZ-CD1 3.54Å; F759-Y769 HydrophobicContact CZ-CD1 3.54Å; F759-Y769 HydrophobicContact CZ-CD2 4.27Å; F759-Y769 HydrophobicContact CZ-CE1 4.02Å; F759-Y769 AromaticContact CZ-CG 3.7Å; F759-Y769 HydrophobicContact CZ-CG 3.7Å |
| 760 | C | 97 | Very high | 92 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.2 | 169.6 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | D688 G762 T763 V818 D819 | D688-C760 PolarHBondContact O-SG 2.82Å; C760-G762 PolarHBondContact O-N 3.41Å; C760-T763 HydrophobicContact CB-CG2 4.15Å; C760-T763 PolarHBondContact O-N 3.05Å; C760-T763 PolarHBondContact O-OG1 3.18Å; C760-V818 HydrophobicContact CB-CB 4.2Å; C760-V818 HydrophobicContact CB-CG1 3.83Å; C760-D819 HydrophobicContact CB-CB 4.28Å |
| 761 | T | 95.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -58.1 | -32.6 | 178.6 | 44.3 | 0 | 0 | 0 | 0 | 113.2 | L683 P687 V689 A690 L692 F759 T763 Y769 | L683-T761 HydrophobicContact CD1-CG2 3.87Å; P687-T761 WeakPolarHBondContact O-CB 3.49Å; P687-T761 PolarHBondContact O-OG1 2.77Å; P687-T761 VanDerWaalsContact O-OG1 3.1Å; V689-T761 PolarHBondContact N-OG1 2.81Å; A690-T761 HydrophobicContact CB-CG2 3.97Å; A690-T761 PolarHBondContact N-OG1 3.48Å; A690-T761 WeakPolarHBondContact O-CG2 3.36Å; A690-T761 PolarHBondContact O-N 2.78Å; A690-T761 PolarHBondContact O-OG1 3.27Å; A690-T761 VanDerWaalsContact O-OG1 3.04Å; L692-T761 HydrophobicContact CB-CG2 4.37Å; L692-T761 HydrophobicContact CD1-CG2 3.39Å; L692-T761 HydrophobicContact CG-CG2 3.64Å; F759-T761 HydrophobicContact CE2-CG2 4.18Å; T761-T763 PolarHBondContact O-N 3.2Å; T761-Y769 WeakPolarHBondContact CA-OH 3.33Å; T761-Y769 WeakPolarHBondContact CB-OH 3.45Å; T761-Y769 HydrophobicContact CG2-CE2 3.83Å; T761-Y769 PolarHBondContact O-OH 2.83Å |
| 762 | G | 93 | Very high | 92.7 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -68.2 | -18.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D688 C760 K815 | D688-G762 WeakPolarHBondContact O-CA 3.5Å; D688-G762 PolarHBondContact O-N 3.38Å; C760-G762 PolarHBondContact O-N 3.41Å; G762-K815 WeakPolarHBondContact O-CE 3.27Å; G762-K815 PolarHBondContact O-NZ 2.99Å |
| 763 | T | 91.7 | Very high | 92.9 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -95.4 | -5.2 | -174.4 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | C760 T761 K815 D819 | C760-T763 HydrophobicContact CB-CG2 4.15Å; C760-T763 PolarHBondContact O-N 3.05Å; C760-T763 PolarHBondContact O-OG1 3.18Å; T761-T763 PolarHBondContact O-N 3.2Å; T763-K815 HydrophobicContact CG2-CD 4.25Å; T763-K815 HydrophobicContact CG2-CG 3.87Å; T763-D819 HydrophobicContact CG2-CB 3.95Å; T763-D819 WeakPolarHBondContact CG2-OD1 3.48Å; T763-D819 PolarHBondContact OG1-OD1 2.87Å |
| 764 | L | 90.4 | Very high | 93.2 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 29% | 0.293 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -136.6 | 152.5 | -178.2 | -73.5 | 174.7 | 0 | 0 | 0 | 112.1 | F759 Y769 | F759-L764 HydrophobicContact CB-CD1 3.84Å; F759-L764 HydrophobicContact CD2-CB 4.23Å; F759-L764 HydrophobicContact CD2-CD1 3.66Å; F759-L764 HydrophobicContact CD2-CG 4.37Å; F759-L764 HydrophobicContact CE2-CD1 4.42Å; F759-L764 HydrophobicContact CG-CD1 3.84Å; L764-Y769 HydrophobicContact CB-CE1 4.14Å; L764-Y769 WeakPolarHBondContact O-CE1 3.38Å; L764-Y769 PolarHBondContact O-OH 3.17Å |
| 765 | E | 91.5 | Very high | 93.5 | Very high | 140 Ų | 140 | 44 Ų | 44 | 65% | 0.654 | 24% | 0.238 | S | C | * | . | trans | -73 | 148.3 | 171.5 | -60.4 | -177.9 | 178.7 | 0 | 0 | 111.4 | S767 H768 Y769 | E765-S767 PolarHBondContact O-N 2.97Å; E765-S767 VanDerWaalsContact O-N 3.09Å; E765-H768 WeakPolarHBondContact O-CB 3.48Å; E765-H768 PolarHBondContact O-N 2.82Å; E765-Y769 WeakPolarHBondContact O-CD1 3.42Å; E765-Y769 VanDerWaalsContact O-CE1 3.28Å; E765-Y769 WeakPolarHBondContact O-CE1 3.15Å | ||
| 766 | K | 92.6 | Very high | 93.9 | Very high | 149 Ų | 149 | 40.5 Ų | 40.5 | 65% | 0.648 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -56.2 | -29 | -178.7 | -69.8 | -174.1 | 178.1 | -178.4 | 0 | 113.9 | H768 Y769 | K766-H768 PolarHBondContact O-N 3.22Å; K766-H768 VanDerWaalsContact O-N 3.14Å; K766-Y769 HydrophobicContact CB-CE2 4.48Å; K766-Y769 HydrophobicContact CG-CE2 3.96Å; K766-Y769 PolarHBondContact O-N 3.2Å |
| 767 | S | 91.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 61% | 0.608 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -57.9 | -22.4 | 175.3 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | E765 | E765-S767 PolarHBondContact O-N 2.97Å; E765-S767 VanDerWaalsContact O-N 3.09Å |
| 768 | H | 92.7 | Very high | 94.3 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -97.8 | 2 | -177.7 | -65 | -66.4 | 0 | 0 | 0 | 114.6 | R694 E765 K766 F770 | R694-H768 WeakPolarHBondContact CD-O 3.36Å; E765-H768 WeakPolarHBondContact O-CB 3.48Å; E765-H768 PolarHBondContact O-N 2.82Å; K766-H768 PolarHBondContact O-N 3.22Å; K766-H768 VanDerWaalsContact O-N 3.14Å; H768-F770 VanDerWaalsContact C-N 3.31Å; H768-F770 PolarHBondContact O-N 2.8Å |
| 769 | Y | 95.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | trans | -77.9 | -19.8 | -172.5 | -70.4 | 13 | 0 | 0 | 0 | 113.3 | L683 L692 F759 T761 L764 E765 K766 H771 T777 V778 | L683-Y769 HydrophobicContact CD1-CE2 3.74Å; L683-Y769 HydrophobicContact CD2-CD2 4.13Å; L683-Y769 HydrophobicContact CD2-CE2 4.03Å; L692-Y769 HydrophobicContact CD1-CD2 4.19Å; L692-Y769 HydrophobicContact CD1-CE2 4.41Å; F759-Y769 HydrophobicContact CD2-CE1 4.43Å; F759-Y769 AromaticContact CE2-CD1 3.42Å; F759-Y769 HydrophobicContact CE2-CD1 3.42Å; F759-Y769 VanDerWaalsContact CE2-CD1 3.42Å; F759-Y769 HydrophobicContact CE2-CD2 4.47Å; F759-Y769 AromaticContact CE2-CE1 3.43Å; F759-Y769 HydrophobicContact CE2-CE1 3.43Å; F759-Y769 VanDerWaalsContact CE2-CE1 3.43Å; F759-Y769 HydrophobicContact CE2-CE2 4.46Å; F759-Y769 AromaticContact CE2-CG 4Å; F759-Y769 HydrophobicContact CE2-CG 4Å; F759-Y769 AromaticContact CE2-CZ 3.98Å; F759-Y769 AromaticContact CZ-CD1 3.54Å; F759-Y769 HydrophobicContact CZ-CD1 3.54Å; F759-Y769 HydrophobicContact CZ-CD2 4.27Å; F759-Y769 HydrophobicContact CZ-CE1 4.02Å; F759-Y769 AromaticContact CZ-CG 3.7Å; F759-Y769 HydrophobicContact CZ-CG 3.7Å; T761-Y769 WeakPolarHBondContact CA-OH 3.33Å; T761-Y769 WeakPolarHBondContact CB-OH 3.45Å; T761-Y769 HydrophobicContact CG2-CE2 3.83Å; T761-Y769 PolarHBondContact O-OH 2.83Å; L764-Y769 HydrophobicContact CB-CE1 4.14Å; L764-Y769 WeakPolarHBondContact O-CE1 3.38Å; L764-Y769 PolarHBondContact O-OH 3.17Å; E765-Y769 WeakPolarHBondContact O-CD1 3.42Å; E765-Y769 VanDerWaalsContact O-CE1 3.28Å; E765-Y769 WeakPolarHBondContact O-CE1 3.15Å; K766-Y769 HydrophobicContact CB-CE2 4.48Å; K766-Y769 HydrophobicContact CG-CE2 3.96Å; K766-Y769 PolarHBondContact O-N 3.2Å; Y769-H771 PolarHBondContact O-N 2.89Å; Y769-T777 CarbonylContact C-O 3.43Å; Y769-V778 HydrophobicContact CD2-CG1 4.19Å | ||
| 770 | F | 95.4 | Very high | 94.4 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 41% | 0.408 | 24% | 0.238 | S | C | . | . | trans | -54.4 | 137.5 | -173.1 | -174.3 | -113.4 | 0 | 0 | 0 | 112.6 | H695 H768 F772 A775 A776 | H695-F770 PolarHBondContact N-O 3.41Å; H768-F770 VanDerWaalsContact C-N 3.31Å; H768-F770 PolarHBondContact O-N 2.8Å; F770-F772 HydrophobicContact CD1-CB 4.42Å; F770-F772 HydrophobicContact CE1-CB 4.31Å; F770-F772 HydrophobicContact CE1-CD2 4.13Å; F770-A775 HydrophobicContact CZ-CB 4.48Å; F770-A776 WeakPolarHBondContact CD2-O 3.48Å | ||
| 771 | H | 95.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -101.6 | 90.8 | 174.7 | -166.8 | -61.6 | 0 | 0 | 0 | 110.5 | H695 Y769 G773 L774 A775 A776 Y779 | H695-H771 HydrophobicContact CB-CB 4.46Å; H695-H771 VanDerWaalsContact CB-CE1 3.48Å; H695-H771 WeakPolarHBondContact CB-CE1 3.35Å; H695-H771 WeakPolarHBondContact CB-ND1 3.24Å; H695-H771 AromaticContact ND1-CE1 3.8Å; Y769-H771 PolarHBondContact O-N 2.89Å; H771-G773 PolarHBondContact O-N 3.35Å; H771-L774 HydrophobicContact CB-CB 4.48Å; H771-L774 VanDerWaalsContact CE1-CG 3.47Å; H771-L774 WeakPolarHBondContact CE1-CG 3.31Å; H771-L774 WeakPolarHBondContact ND1-CB 3.37Å; H771-L774 WeakPolarHBondContact ND1-CG 3.49Å; H771-L774 PolarHBondContact ND1-N 3.12Å; H771-L774 PolarHBondContact O-N 3.21Å; H771-L774 VanDerWaalsContact O-N 3.07Å; H771-A775 PolarHBondContact O-N 2.87Å; H771-A776 HydrophobicContact CB-CB 4.39Å; H771-A776 PolarHBondContact N-O 3.26Å; H771-A776 PolarHBondContact O-N 2.99Å; H771-Y779 AromaticContact CD2-CD1 3.68Å |
| 772 | F | 93.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 4% | 0.044 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -49.2 | -52.3 | -174.5 | -175.8 | -111.2 | 0 | 0 | 0 | 114.1 | L634 H695 L697 P698 M753 F770 L774 A775 | L634-F772 HydrophobicContact CD1-CD1 3.99Å; L634-F772 HydrophobicContact CD1-CE1 3.49Å; L634-F772 VanDerWaalsContact CD1-CE1 3.49Å; L634-F772 HydrophobicContact CD1-CZ 4.12Å; H695-F772 HydrophobicContact CB-CB 4.43Å; H695-F772 WeakPolarHBondContact O-CB 3.29Å; H695-F772 PolarHBondContact O-N 2.75Å; L697-F772 HydrophobicContact CD1-CD1 4.48Å; L697-F772 HydrophobicContact CD1-CD2 3.52Å; L697-F772 HydrophobicContact CD1-CE1 4.21Å; L697-F772 HydrophobicContact CD1-CE2 3.21Å; L697-F772 HydrophobicContact CD1-CG 4.18Å; L697-F772 HydrophobicContact CD1-CZ 3.59Å; P698-F772 HydrophobicContact CG-CD1 4.44Å; P698-F772 HydrophobicContact CG-CE1 4.35Å; M753-F772 HydrophobicContact CE-CE1 4.5Å; M753-F772 HydrophobicContact SD-CD1 4.2Å; M753-F772 HydrophobicContact SD-CE1 3.93Å; F770-F772 HydrophobicContact CD1-CB 4.42Å; F770-F772 HydrophobicContact CE1-CB 4.31Å; F770-F772 HydrophobicContact CE1-CD2 4.13Å; F772-L774 VanDerWaalsContact C-N 3.26Å; F772-L774 PolarHBondContact O-N 2.89Å; F772-A775 PolarHBondContact O-N 2.59Å |
| 773 | G | 91.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -64.4 | -25.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L634 H695 H771 | L634-G773 PolarHBondContact N-O 3.4Å; H695-G773 PolarHBondContact ND1-N 3.12Å; H695-G773 VanDerWaalsContact ND1-N 3.18Å; H771-G773 PolarHBondContact O-N 3.35Å |
| 774 | L | 93.6 | Very high | 95.1 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -102.3 | -7.9 | -177.6 | -67.9 | 175.7 | 0 | 0 | 0 | 112.6 | L672 H771 F772 A776 Y779 | L672-L774 HydrophobicContact CD1-CD2 4.09Å; L672-L774 HydrophobicContact CD2-CD1 3.73Å; L672-L774 HydrophobicContact CD2-CD2 3.8Å; L672-L774 HydrophobicContact CD2-CG 4.39Å; H771-L774 HydrophobicContact CB-CB 4.48Å; H771-L774 VanDerWaalsContact CE1-CG 3.47Å; H771-L774 WeakPolarHBondContact CE1-CG 3.31Å; H771-L774 WeakPolarHBondContact ND1-CB 3.37Å; H771-L774 WeakPolarHBondContact ND1-CG 3.49Å; H771-L774 PolarHBondContact ND1-N 3.12Å; H771-L774 PolarHBondContact O-N 3.21Å; H771-L774 VanDerWaalsContact O-N 3.07Å; F772-L774 VanDerWaalsContact C-N 3.26Å; F772-L774 PolarHBondContact O-N 2.89Å; L774-A776 HydrophobicContact CB-CB 4.3Å; L774-A776 PolarHBondContact O-N 2.76Å; L774-Y779 HydrophobicContact CD1-CD1 4.05Å; L774-Y779 HydrophobicContact CD1-CD2 3.88Å; L774-Y779 HydrophobicContact CD1-CE1 3.91Å; L774-Y779 HydrophobicContact CD1-CE2 3.73Å; L774-Y779 HydrophobicContact CD1-CG 4.05Å |
| 775 | A | 94.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 42.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N631 A633 F770 H771 F772 | N631-A775 HydrophobicContact CB-CB 4.32Å; N631-A775 WeakPolarHBondContact O-CB 3.41Å; A633-A775 HydrophobicContact CB-CB 4.1Å; F770-A775 HydrophobicContact CZ-CB 4.48Å; H771-A775 PolarHBondContact O-N 2.87Å; F772-A775 PolarHBondContact O-N 2.59Å |
| 776 | A | 95.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 12% | 0.116 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -109.9 | 133.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | T676 F770 H771 L774 V778 | T676-A776 HydrophobicContact CG2-CB 4.04Å; F770-A776 WeakPolarHBondContact CD2-O 3.48Å; H771-A776 HydrophobicContact CB-CB 4.39Å; H771-A776 PolarHBondContact N-O 3.26Å; H771-A776 PolarHBondContact O-N 2.99Å; L774-A776 HydrophobicContact CB-CB 4.3Å; L774-A776 PolarHBondContact O-N 2.76Å; A776-V778 VanDerWaalsContact C-N 3.34Å |
| 777 | T | 95.8 | Very high | 95.8 | Very high | 111 Ų | 111 | 29.1 Ų | 29.1 | 68% | 0.681 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -62.8 | -41.8 | 178.1 | -50.9 | 0 | 0 | 0 | 0 | 112 | Y769 | Y769-T777 CarbonylContact C-O 3.43Š|
| 778 | V | 97.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 9% | 0.085 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -139 | 145.7 | 175.2 | -65.8 | 0 | 0 | 0 | 0 | 109.1 | A679 E680 L683 L692 Y769 A776 | A679-V778 HydrophobicContact CB-CB 4.23Å; A679-V778 HydrophobicContact CB-CG2 4.05Å; E680-V778 HydrophobicContact CB-CG2 4.48Å; E680-V778 HydrophobicContact CG-CG2 3.55Å; L683-V778 HydrophobicContact CD2-CG1 3.74Å; L692-V778 HydrophobicContact CD1-CB 4.46Å; L692-V778 HydrophobicContact CD1-CG1 4.48Å; Y769-V778 HydrophobicContact CD2-CG1 4.19Å; A776-V778 VanDerWaalsContact C-N 3.34Å |
| 779 | Y | 98.4 | Very high | 96.3 | Very high | 17 Ų | 17 | 23 Ų | 23 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | trans | -151.4 | 147.5 | -178.4 | -177.1 | -107.4 | 0 | 0 | 0 | 109.8 | L672 N675 T676 L692 R693 H771 L774 H781 | L672-Y779 HydrophobicContact CD2-CE2 3.77Å; N675-Y779 HydrophobicContact CB-CD2 3.94Å; N675-Y779 HydrophobicContact CB-CE2 3.36Å; N675-Y779 PolarHBondContact ND2-OH 3.44Å; T676-Y779 HydrophobicContact CG2-CD2 3.99Å; L692-Y779 WeakPolarHBondContact CB-O 3.46Å; R693-Y779 HydrophobicContact CB-CD1 4.11Å; R693-Y779 PolarHBondContact N-O 2.77Å; H771-Y779 AromaticContact CD2-CD1 3.68Å; L774-Y779 HydrophobicContact CD1-CD1 4.05Å; L774-Y779 HydrophobicContact CD1-CD2 3.88Å; L774-Y779 HydrophobicContact CD1-CE1 3.91Å; L774-Y779 HydrophobicContact CD1-CE2 3.73Å; L774-Y779 HydrophobicContact CD1-CG 4.05Å; Y779-H781 AromaticContact CE1-CD2 3.53Å; Y779-H781 AromaticContact CE1-NE2 3.71Å; Y779-H781 AromaticContact CZ-CD2 3.84Å; Y779-H781 PolarHBondContact OH-CD2 3.12Å | ||
| 780 | T | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -143.2 | 178.4 | 172.2 | -162.2 | 0 | 0 | 0 | 0 | 109.7 | N675 V678 A679 L691 V794 | N675-T780 VanDerWaalsContact CB-O 3.24Å; N675-T780 WeakPolarHBondContact CB-O 3.45Å; N675-T780 VanDerWaalsContact CG-O 3.3Å; N675-T780 PolarHBondContact OD1-O 2.85Å; V678-T780 HydrophobicContact CB-CG2 4.49Å; V678-T780 HydrophobicContact CG1-CG2 4.19Å; A679-T780 HydrophobicContact CB-CG2 3.94Å; L691-T780 PolarHBondContact O-OG1 3.12Å; T780-V794 HydrophobicContact CG2-CG1 4.1Å; T780-V794 HydrophobicContact CG2-CG2 4.21Å; T780-V794 VanDerWaalsContact OG1-CG2 3.29Å; T780-V794 WeakPolarHBondContact OG1-CG2 3.39Å | ||
| 781 | H | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.019 | 10% | 0.098 | C | C | . | . | trans | -109.8 | 122.2 | 167.9 | -72.8 | 172.5 | 0 | 0 | 0 | 109.5 | R693 Y758 Y779 R788 D791 V794 | R693-H781 WeakPolarHBondContact CD-NE2 3.4Å; R693-H781 PolarHBondContact NH1-CE1 2.85Å; R693-H781 PolarHBondContact NH1-NE2 3.36Å; Y758-H781 HydrophobicContact CE1-CB 4.4Å; Y758-H781 AromaticContact CE1-ND1 3.49Å; Y758-H781 WeakPolarHBondContact CE1-ND1 3.38Å; Y758-H781 AromaticContact CZ-CE1 3.97Å; Y758-H781 AromaticContact CZ-ND1 3.5Å; Y758-H781 PolarHBondContact OH-CE1 3.33Å; Y758-H781 VanDerWaalsContact OH-CE1 3.29Å; Y758-H781 PolarHBondContact OH-ND1 3.47Å; Y779-H781 AromaticContact CE1-CD2 3.53Å; Y779-H781 AromaticContact CE1-NE2 3.71Å; Y779-H781 AromaticContact CZ-CD2 3.84Å; Y779-H781 PolarHBondContact OH-CD2 3.12Å; H781-R788 PolarHBondContact CE1-NH1 2.69Å; H781-R788 PolarHBondContact ND1-NH1 3.32Å; H781-D791 VanDerWaalsContact C-OD1 3.27Å; H781-D791 VanDerWaalsContact CB-OD2 3.31Å; H781-D791 WeakPolarHBondContact CB-OD2 3.46Å; H781-D791 VanDerWaalsContact O-CA 3.31Å; H781-D791 WeakPolarHBondContact O-CA 3.29Å; H781-V794 WeakPolarHBondContact O-CB 3.38Å; H781-V794 WeakPolarHBondContact O-CG2 3.33Å | ||
| 782 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -126.9 | -24 | 178.3 | 165.4 | -104.6 | 0 | 0 | 0 | 111.9 | I510 F564 V566 A674 N675 V678 D791 V794 H795 L798 | I510-F782 HydrophobicContact CB-CE1 4.08Å; I510-F782 HydrophobicContact CB-CZ 4.2Å; I510-F782 HydrophobicContact CG1-CD1 3.85Å; I510-F782 HydrophobicContact CG1-CE1 3.35Å; I510-F782 HydrophobicContact CG1-CZ 3.96Å; I510-F782 WeakPolarHBondContact CG2-O 3.36Å; F564-F782 HydrophobicContact CB-CE2 4.15Å; F564-F782 HydrophobicContact CB-CZ 4Å; F564-F782 HydrophobicContact CD1-CE2 4.04Å; F564-F782 HydrophobicContact CD2-CZ 4.4Å; F564-F782 AromaticContact CG-CE2 3.97Å; F564-F782 HydrophobicContact CG-CE2 3.97Å; F564-F782 HydrophobicContact CG-CZ 4.08Å; V566-F782 HydrophobicContact CG2-CD1 4.33Å; V566-F782 HydrophobicContact CG2-CE1 3.54Å; V566-F782 HydrophobicContact CG2-CZ 3.95Å; A674-F782 HydrophobicContact CB-CD1 4.36Å; N675-F782 WeakPolarHBondContact OD1-CB 3.48Å; N675-F782 PolarHBondContact OD1-N 3.5Å; V678-F782 HydrophobicContact CB-CB 4.35Å; V678-F782 HydrophobicContact CB-CG 4.38Å; V678-F782 HydrophobicContact CG1-CB 4.25Å; V678-F782 HydrophobicContact CG1-CD2 4.26Å; V678-F782 HydrophobicContact CG1-CG 4.31Å; V678-F782 HydrophobicContact CG2-CB 4.35Å; V678-F782 HydrophobicContact CG2-CD1 3.93Å; V678-F782 HydrophobicContact CG2-CD2 4.16Å; V678-F782 HydrophobicContact CG2-CE1 4.25Å; V678-F782 HydrophobicContact CG2-CE2 4.47Å; V678-F782 HydrophobicContact CG2-CG 3.88Å; F782-D791 WeakPolarHBondContact CA-OD1 3.41Å; F782-D791 PolarHBondContact N-OD1 3.09Å; F782-D791 VanDerWaalsContact N-OD1 3.12Å; F782-V794 HydrophobicContact CB-CG1 3.85Å; F782-V794 HydrophobicContact CD2-CG1 4Å; F782-V794 HydrophobicContact CG-CG1 4.41Å; F782-H795 AromaticContact CD2-CD2 3.32Å; F782-H795 WeakPolarHBondContact CD2-CD2 3.13Å; F782-H795 AromaticContact CD2-NE2 3.36Å; F782-H795 WeakPolarHBondContact CD2-NE2 3.26Å; F782-H795 AromaticContact CE2-CD2 3.51Å; F782-H795 AromaticContact CE2-CE1 3.93Å; F782-H795 AromaticContact CE2-NE2 3.33Å; F782-H795 VanDerWaalsContact CE2-NE2 3.33Å; F782-H795 WeakPolarHBondContact CE2-NE2 3.4Å; F782-H795 PolarHBondContact O-NE2 2.63Å; F782-L798 HydrophobicContact CD2-CD2 4.39Å; F782-L798 HydrophobicContact CE2-CD2 3.83Å; F782-L798 HydrophobicContact CZ-CD2 4.38Å | ||
| 783 | T | 97.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -92.8 | 4 | -162.2 | 60.3 | 0 | 0 | 0 | 0 | 115.9 | D491 I510 M671 A674 N675 D791 | D491-T783 WeakPolarHBondContact CB-O 3.02Å; I510-T783 HydrophobicContact CD1-CG2 3.98Å; I510-T783 HydrophobicContact CG1-CG2 4.38Å; M671-T783 HydrophobicContact CB-CG2 4.17Å; M671-T783 HydrophobicContact CG-CG2 4.45Å; M671-T783 VanDerWaalsContact SD-CB 3.54Å; M671-T783 HydrophobicContact SD-CG2 3.59Å; M671-T783 VanDerWaalsContact SD-CG2 3.59Å; A674-T783 HydrophobicContact CB-CG2 3.76Å; N675-T783 PolarHBondContact ND2-OG1 3.14Å; N675-T783 WeakPolarHBondContact OD1-CG2 3.34Å; T783-D791 PolarHBondContact N-OD1 2.78Å |
| 784 | S | 97.2 | Very high | 97 | Very high | 5 Ų | 5 | 17 Ų | 17 | 4% | 0.035 | 9% | 0.089 | C | C | . | . | trans | -143.4 | 55.6 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 115.3 | D491 I786 R787 R788 D791 | D491-S784 WeakPolarHBondContact OD1-CA 3.16Å; D491-S784 VanDerWaalsContact OD2-CA 3.31Å; D491-S784 WeakPolarHBondContact OD2-CA 3.22Å; D491-S784 WeakPolarHBondContact OD2-CB 3.41Å; S784-I786 VanDerWaalsContact C-N 3.31Å; S784-I786 PolarHBondContact O-N 2.86Å; S784-R787 PolarHBondContact O-N 2.99Å; S784-R787 PolarHBondContact OG-NE 2.76Å; S784-R787 PolarHBondContact OG-NH2 2.84Å; S784-R788 WeakPolarHBondContact O-CB 3.45Å; S784-R788 PolarHBondContact O-N 2.97Å; S784-R788 VanDerWaalsContact O-N 3.1Å; S784-D791 PolarHBondContact N-OD1 3.1Å | ||
| 785 | P | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -15.4 | -175.1 | 32.8 | -39 | 0 | 0 | 0 | 115.8 | D491 I510 A511 V513 M543 R787 D791 L792 | D491-P785 WeakPolarHBondContact OD1-CD 3.45Å; I510-P785 HydrophobicContact CG2-CG 3.69Å; A511-P785 HydrophobicContact CB-CG 4.47Å; A511-P785 VanDerWaalsContact O-CG 3.22Å; A511-P785 WeakPolarHBondContact O-CG 3.37Å; V513-P785 HydrophobicContact CB-CB 4.03Å; V513-P785 HydrophobicContact CB-CG 4.33Å; V513-P785 HydrophobicContact CG2-CB 3.8Å; V513-P785 HydrophobicContact CG2-CG 3.67Å; M543-P785 WeakPolarHBondContact CE-O 3.29Å; P785-R787 PolarHBondContact O-N 2.75Å; P785-D791 HydrophobicContact CB-CB 3.84Å; P785-L792 HydrophobicContact CB-CG 4.39Å |
| 786 | I | 95.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -34.6 | 174.8 | -64.7 | 170.2 | 0 | 0 | 0 | 110.3 | D489 D491 A511 V513 M543 C553 S784 | D489-I786 HydrophobicContact CB-CB 4.46Å; D489-I786 HydrophobicContact CB-CD1 4.47Å; D489-I786 HydrophobicContact CB-CG2 3.71Å; D491-I786 WeakPolarHBondContact OD1-CB 3.44Å; D491-I786 WeakPolarHBondContact OD1-CG1 3.34Å; D491-I786 PolarHBondContact OD1-N 2.87Å; A511-I786 HydrophobicContact CB-CD1 4.12Å; A511-I786 HydrophobicContact CB-CG1 4.19Å; V513-I786 HydrophobicContact CG2-CG1 3.72Å; M543-I786 WeakPolarHBondContact CE-O 3.47Å; C553-I786 HydrophobicContact CB-CD1 4.17Å; C553-I786 HydrophobicContact CB-CG1 3.93Å; S784-I786 VanDerWaalsContact C-N 3.31Å; S784-I786 PolarHBondContact O-N 2.86Å |
| 787 | R | 96.1 | Very high | 97.1 | Very high | 82 Ų | 82 | 15.8 Ų | 15.8 | 31% | 0.309 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -1.1 | -168.5 | 57.8 | 178.3 | -175 | 127.6 | 6 | 115 | D491 T532 T533 Y535 S784 P785 | D491-R787 IonicContact OD2-NE 3.69Å; D491-R787 PolarHBondContact OD2-NE 3.1Å; T532-R787 CarbonylContact C-O 3.6Å; T532-R787 VanDerWaalsContact CA-O 3.29Å; T532-R787 WeakPolarHBondContact CA-O 3.37Å; T532-R787 PolarHBondContact OG1-O 3.36Å; T533-R787 PolarHBondContact N-O 3.43Å; T533-R787 WeakPolarHBondContact OG1-CA 3.5Å; Y535-R787 WeakPolarHBondContact OH-CD 3.2Å; S784-R787 PolarHBondContact O-N 2.99Å; S784-R787 PolarHBondContact OG-NE 2.76Å; S784-R787 PolarHBondContact OG-NH2 2.84Å; P785-R787 PolarHBondContact O-N 2.75Å |
| 788 | R | 96.8 | Very high | 97.1 | Very high | 32 Ų | 32 | 10.5 Ų | 10.5 | 12% | 0.121 | 4% | 0.044 | C | C | . | . | B | Isolated β-bridge | trans | -142.6 | 122.5 | -179.6 | -66.4 | -171.6 | -50.9 | -155.2 | -3.4 | 111.3 | H781 S784 A790 D791 | H781-R788 PolarHBondContact CE1-NH1 2.69Å; H781-R788 PolarHBondContact ND1-NH1 3.32Å; S784-R788 WeakPolarHBondContact O-CB 3.45Å; S784-R788 PolarHBondContact O-N 2.97Å; S784-R788 VanDerWaalsContact O-N 3.1Å; R788-A790 VanDerWaalsContact C-N 3.28Å; R788-A790 PolarHBondContact O-N 2.8Å; R788-D791 WeakPolarHBondContact CB-OD2 3.47Å; R788-D791 IonicContact CZ-OD1 3.74Å; R788-D791 IonicContact CZ-OD2 3.44Å; R788-D791 IonicContact NE-OD1 3.65Å; R788-D791 IonicContact NE-OD2 2.75Å; R788-D791 PolarHBondContact NE-OD2 3.42Å; R788-D791 IonicContact NH2-OD1 3.34Å; R788-D791 PolarHBondContact NH2-OD1 3.1Å; R788-D791 IonicContact NH2-OD2 2.71Å; R788-D791 PolarHBondContact NH2-OD2 2.83Å; R788-D791 PolarHBondContact O-N 3.4Å |
| 789 | Y | 98.2 | Very high | 97 | Very high | 13 Ų | 13 | 11 Ų | 11 | 5% | 0.051 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -71.1 | -24.9 | -179 | -171.6 | -91.8 | 0 | 0 | 0 | 112.8 | D524 A527 A528 G531 M543 D791 L792 M793 R796 L821 L825 | D524-Y789 VanDerWaalsContact OD1-CE2 3.29Å; D524-Y789 WeakPolarHBondContact OD1-CE2 3.49Å; D524-Y789 PolarHBondContact OD1-OH 2.76Å; A527-Y789 VanDerWaalsContact C-CD2 3.41Å; A527-Y789 HydrophobicContact CB-CD2 3.7Å; A527-Y789 HydrophobicContact CB-CE2 3.99Å; A528-Y789 HydrophobicContact CB-CD1 4.26Å; A528-Y789 HydrophobicContact CB-CD2 4.27Å; A528-Y789 HydrophobicContact CB-CE1 3.75Å; A528-Y789 HydrophobicContact CB-CE2 3.76Å; A528-Y789 HydrophobicContact CB-CG 4.49Å; A528-Y789 VanDerWaalsContact CB-CZ 3.46Å; G531-Y789 WeakPolarHBondContact O-CB 3.41Å; G531-Y789 PolarHBondContact O-N 3.39Å; M543-Y789 PolarHBondContact SD-N 2.72Å; Y789-D791 PolarHBondContact O-N 3.09Å; Y789-L792 HydrophobicContact CD2-CB 4.38Å; Y789-L792 HydrophobicContact CD2-CD1 3.81Å; Y789-L792 HydrophobicContact CE2-CD1 4.28Å; Y789-L792 WeakPolarHBondContact O-CB 3.16Å; Y789-L792 PolarHBondContact O-N 2.83Å; Y789-L792 VanDerWaalsContact O-N 3.16Å; Y789-M793 PolarHBondContact O-N 2.8Å; Y789-R796 PolarHBondContact OH-NH1 2.87Å; Y789-L821 HydrophobicContact CD1-CD1 3.73Å; Y789-L821 HydrophobicContact CD1-CD2 4.22Å; Y789-L821 HydrophobicContact CE1-CD1 3.63Å; Y789-L821 HydrophobicContact CE1-CD2 3.83Å; Y789-L821 HydrophobicContact CE1-CG 4.37Å; Y789-L825 HydrophobicContact CD1-CD2 4.34Å |
| 790 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -54.6 | -43.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L691 Y758 R788 M793 V794 L825 | L691-A790 HydrophobicContact CD2-CB 4.21Å; Y758-A790 HydrophobicContact CD1-CB 4.11Å; Y758-A790 HydrophobicContact CE1-CB 3.48Å; Y758-A790 VanDerWaalsContact CE1-CB 3.48Å; Y758-A790 HydrophobicContact CE2-CB 4.42Å; R788-A790 VanDerWaalsContact C-N 3.28Å; R788-A790 PolarHBondContact O-N 2.8Å; A790-M793 PolarHBondContact O-N 2.93Å; A790-V794 WeakPolarHBondContact O-CG2 3.49Å; A790-V794 PolarHBondContact O-N 2.86Å; A790-L825 HydrophobicContact CB-CD1 3.94Å |
| 791 | D | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.1 | -39.7 | 178.4 | -56.7 | -121.1 | 0 | 0 | 0 | 111.3 | H781 F782 T783 S784 P785 R788 Y789 M793 V794 H795 | H781-D791 VanDerWaalsContact C-OD1 3.27Å; H781-D791 VanDerWaalsContact CB-OD2 3.31Å; H781-D791 WeakPolarHBondContact CB-OD2 3.46Å; H781-D791 VanDerWaalsContact O-CA 3.31Å; H781-D791 WeakPolarHBondContact O-CA 3.29Å; F782-D791 WeakPolarHBondContact CA-OD1 3.41Å; F782-D791 PolarHBondContact N-OD1 3.09Å; F782-D791 VanDerWaalsContact N-OD1 3.12Å; T783-D791 PolarHBondContact N-OD1 2.78Å; S784-D791 PolarHBondContact N-OD1 3.1Å; P785-D791 HydrophobicContact CB-CB 3.84Å; R788-D791 WeakPolarHBondContact CB-OD2 3.47Å; R788-D791 IonicContact CZ-OD1 3.74Å; R788-D791 IonicContact CZ-OD2 3.44Å; R788-D791 IonicContact NE-OD1 3.65Å; R788-D791 IonicContact NE-OD2 2.75Å; R788-D791 PolarHBondContact NE-OD2 3.42Å; R788-D791 IonicContact NH2-OD1 3.34Å; R788-D791 PolarHBondContact NH2-OD1 3.1Å; R788-D791 IonicContact NH2-OD2 2.71Å; R788-D791 PolarHBondContact NH2-OD2 2.83Å; R788-D791 PolarHBondContact O-N 3.4Å; Y789-D791 PolarHBondContact O-N 3.09Å; D791-M793 VanDerWaalsContact C-N 3.31Å; D791-M793 PolarHBondContact O-N 2.64Å; D791-V794 PolarHBondContact O-N 2.89Å; D791-H795 WeakPolarHBondContact O-CB 2.92Å; D791-H795 PolarHBondContact O-CD2 2.89Å; D791-H795 PolarHBondContact O-N 3.25Å |
| 792 | L | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57 | -44.8 | 171.9 | -84 | 172 | 0 | 0 | 0 | 112.1 | V513 V517 M543 P785 Y789 H795 R796 | V513-L792 HydrophobicContact CB-CD2 3.69Å; V513-L792 HydrophobicContact CG1-CD2 3.72Å; V513-L792 HydrophobicContact CG1-CG 4.42Å; V517-L792 HydrophobicContact CB-CD1 4.41Å; V517-L792 HydrophobicContact CB-CD2 4.32Å; V517-L792 HydrophobicContact CG1-CD1 4.34Å; V517-L792 HydrophobicContact CG2-CD1 4.39Å; M543-L792 HydrophobicContact CE-CD1 3.82Å; P785-L792 HydrophobicContact CB-CG 4.39Å; Y789-L792 HydrophobicContact CD2-CB 4.38Å; Y789-L792 HydrophobicContact CD2-CD1 3.81Å; Y789-L792 HydrophobicContact CE2-CD1 4.28Å; Y789-L792 WeakPolarHBondContact O-CB 3.16Å; Y789-L792 PolarHBondContact O-N 2.83Å; Y789-L792 VanDerWaalsContact O-N 3.16Å; L792-H795 WeakPolarHBondContact O-CB 3.28Å; L792-H795 PolarHBondContact O-N 3.2Å; L792-R796 WeakPolarHBondContact O-CG 3.35Å; L792-R796 PolarHBondContact O-N 2.83Å |
| 793 | M | 96.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 16.9 Ų | 16.9 | 4% | 0.044 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 177.7 | -173.2 | 57.5 | -154.6 | 0 | 0 | 111.5 | L691 Y789 A790 D791 H795 R796 L797 P813 V818 L821 | L691-M793 HydrophobicContact CD1-CB 4.11Å; L691-M793 HydrophobicContact CD1-CG 3.95Å; Y789-M793 PolarHBondContact O-N 2.8Å; A790-M793 PolarHBondContact O-N 2.93Å; D791-M793 VanDerWaalsContact C-N 3.31Å; D791-M793 PolarHBondContact O-N 2.64Å; M793-H795 PolarHBondContact O-N 2.75Å; M793-R796 WeakPolarHBondContact O-CB 3.27Å; M793-R796 PolarHBondContact O-N 3.14Å; M793-L797 HydrophobicContact CE-CD1 4.24Å; M793-L797 HydrophobicContact CE-CD2 3.79Å; M793-L797 HydrophobicContact CE-CG 3.88Å; M793-L797 WeakPolarHBondContact O-CG 3.46Å; M793-L797 PolarHBondContact O-N 3.13Å; M793-P813 HydrophobicContact CE-CG 3.2Å; M793-P813 HydrophobicContact SD-CG 4.3Å; M793-V818 HydrophobicContact CE-CG2 4.43Å; M793-L821 HydrophobicContact CB-CD2 4.27Å; M793-L821 HydrophobicContact CG-CD2 3.98Å; M793-L821 HydrophobicContact SD-CD2 4.46Å |
| 794 | V | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.4 | 162.3 | 0 | 0 | 0 | 0 | 112 | V678 L682 L691 T780 H781 F782 A790 D791 R796 L797 L798 | V678-V794 HydrophobicContact CG1-CG1 3.66Å; L682-V794 HydrophobicContact CD1-CB 4.34Å; L682-V794 HydrophobicContact CD1-CG1 3.94Å; L682-V794 HydrophobicContact CD1-CG2 4.02Å; L691-V794 HydrophobicContact CD2-CG2 4.42Å; T780-V794 HydrophobicContact CG2-CG1 4.1Å; T780-V794 HydrophobicContact CG2-CG2 4.21Å; T780-V794 VanDerWaalsContact OG1-CG2 3.29Å; T780-V794 WeakPolarHBondContact OG1-CG2 3.39Å; H781-V794 WeakPolarHBondContact O-CB 3.38Å; H781-V794 WeakPolarHBondContact O-CG2 3.33Å; F782-V794 HydrophobicContact CB-CG1 3.85Å; F782-V794 HydrophobicContact CD2-CG1 4Å; F782-V794 HydrophobicContact CG-CG1 4.41Å; A790-V794 WeakPolarHBondContact O-CG2 3.49Å; A790-V794 PolarHBondContact O-N 2.86Å; D791-V794 PolarHBondContact O-N 2.89Å; V794-R796 VanDerWaalsContact C-N 3.33Å; V794-R796 PolarHBondContact O-N 3.04Å; V794-L797 PolarHBondContact O-N 2.8Å; V794-L798 WeakPolarHBondContact O-CB 3.48Å; V794-L798 PolarHBondContact O-N 3.02Å |
| 795 | H | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 173.9 | -83.1 | -134.2 | 0 | 0 | 0 | 111.7 | A511 F564 F782 D791 L792 M793 L798 A799 | A511-H795 PolarHBondContact O-CE1 3.28Å; A511-H795 VanDerWaalsContact O-CE1 3.29Å; F564-H795 HydrophobicContact CD1-CB 4.23Å; F564-H795 AromaticContact CD1-CG 3.95Å; F564-H795 AromaticContact CD1-ND1 3.69Å; F564-H795 WeakPolarHBondContact CE1-O 3.45Å; F782-H795 AromaticContact CD2-CD2 3.32Å; F782-H795 WeakPolarHBondContact CD2-CD2 3.13Å; F782-H795 AromaticContact CD2-NE2 3.36Å; F782-H795 WeakPolarHBondContact CD2-NE2 3.26Å; F782-H795 AromaticContact CE2-CD2 3.51Å; F782-H795 AromaticContact CE2-CE1 3.93Å; F782-H795 AromaticContact CE2-NE2 3.33Å; F782-H795 VanDerWaalsContact CE2-NE2 3.33Å; F782-H795 WeakPolarHBondContact CE2-NE2 3.4Å; F782-H795 PolarHBondContact O-NE2 2.63Å; D791-H795 WeakPolarHBondContact O-CB 2.92Å; D791-H795 PolarHBondContact O-CD2 2.89Å; D791-H795 PolarHBondContact O-N 3.25Å; L792-H795 WeakPolarHBondContact O-CB 3.28Å; L792-H795 PolarHBondContact O-N 3.2Å; M793-H795 PolarHBondContact O-N 2.75Å; H795-L798 PolarHBondContact O-N 2.96Å; H795-A799 VanDerWaalsContact O-CB 3.27Å; H795-A799 WeakPolarHBondContact O-CB 3.37Å; H795-A799 PolarHBondContact O-N 3.26Å |
| 796 | R | 94.7 | Very high | 92.5 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -46.7 | 176.5 | -70.5 | 166.4 | -178.7 | 172.6 | 0.5 | 111.7 | V517 D524 Y789 L792 M793 V794 L798 A799 A800 | V517-R796 PolarHBondContact O-NH2 3.47Å; D524-R796 IonicContact OD1-CZ 2.65Å; D524-R796 IonicContact OD1-NH1 3.37Å; D524-R796 PolarHBondContact OD1-NH1 3.33Å; D524-R796 IonicContact OD1-NH2 3.2Å; D524-R796 PolarHBondContact OD1-NH2 3.36Å; D524-R796 IonicContact OD2-NH1 3.44Å; D524-R796 IonicContact OD2-NH2 3.53Å; Y789-R796 PolarHBondContact OH-NH1 2.87Å; L792-R796 WeakPolarHBondContact O-CG 3.35Å; L792-R796 PolarHBondContact O-N 2.83Å; M793-R796 WeakPolarHBondContact O-CB 3.27Å; M793-R796 PolarHBondContact O-N 3.14Å; V794-R796 VanDerWaalsContact C-N 3.33Å; V794-R796 PolarHBondContact O-N 3.04Å; R796-L798 PolarHBondContact O-N 2.84Å; R796-A799 PolarHBondContact O-N 2.96Å; R796-A800 WeakPolarHBondContact O-CB 3.41Å; R796-A800 PolarHBondContact O-N 3.23Å |
| 797 | L | 94.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 176.5 | -64.4 | 176.7 | 0 | 0 | 0 | 110.9 | L682 F686 M793 V794 A799 A800 I801 M812 | L682-L797 HydrophobicContact CD1-CB 4.44Å; L682-L797 HydrophobicContact CD1-CD1 4.2Å; L682-L797 HydrophobicContact CD2-CB 3.55Å; F686-L797 HydrophobicContact CD2-CB 4.27Å; F686-L797 HydrophobicContact CD2-CD2 4.22Å; F686-L797 HydrophobicContact CE2-CB 4.26Å; F686-L797 HydrophobicContact CE2-CD2 4.32Å; F686-L797 WeakPolarHBondContact CE2-O 3.46Å; M793-L797 HydrophobicContact CE-CD1 4.24Å; M793-L797 HydrophobicContact CE-CD2 3.79Å; M793-L797 HydrophobicContact CE-CG 3.88Å; M793-L797 WeakPolarHBondContact O-CG 3.46Å; M793-L797 PolarHBondContact O-N 3.13Å; V794-L797 PolarHBondContact O-N 2.8Å; L797-A799 VanDerWaalsContact C-N 3.34Å; L797-A799 PolarHBondContact O-N 3.32Å; L797-A800 WeakPolarHBondContact O-CB 2.97Å; L797-A800 PolarHBondContact O-N 3.22Å; L797-I801 WeakPolarHBondContact O-CG1 3.44Å; L797-I801 PolarHBondContact O-N 2.89Å; L797-M812 HydrophobicContact CD2-CE 3.34Å; L797-M812 HydrophobicContact CD2-SD 4.27Å |
| 798 | L | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 179 | -170.4 | 62.6 | 0 | 0 | 0 | 111.9 | F564 F581 V678 R681 L682 F782 V794 H795 R796 A800 I801 L802 | F564-L798 HydrophobicContact CD1-CD2 4.4Å; F564-L798 HydrophobicContact CD2-CD2 4.15Å; F564-L798 HydrophobicContact CE1-CB 3.83Å; F564-L798 HydrophobicContact CE1-CD2 3.89Å; F564-L798 HydrophobicContact CE1-CG 3.94Å; F564-L798 HydrophobicContact CE2-CD2 3.61Å; F564-L798 HydrophobicContact CE2-CG 3.91Å; F564-L798 HydrophobicContact CZ-CB 3.77Å; F564-L798 HydrophobicContact CZ-CD2 3.5Å; F564-L798 VanDerWaalsContact CZ-CD2 3.5Å; F564-L798 HydrophobicContact CZ-CG 3.4Å; F581-L798 HydrophobicContact CB-CD1 4.5Å; F581-L798 HydrophobicContact CB-CD2 4.49Å; F581-L798 HydrophobicContact CD1-CD1 4.18Å; F581-L798 HydrophobicContact CD1-CD2 3.96Å; F581-L798 HydrophobicContact CG-CD1 4.2Å; F581-L798 HydrophobicContact CG-CD2 4.47Å; V678-L798 HydrophobicContact CG1-CD2 4.24Å; V678-L798 HydrophobicContact CG2-CD2 4.08Å; R681-L798 HydrophobicContact CG-CD1 4.04Å; L682-L798 HydrophobicContact CD2-CB 4.36Å; F782-L798 HydrophobicContact CD2-CD2 4.39Å; F782-L798 HydrophobicContact CE2-CD2 3.83Å; F782-L798 HydrophobicContact CZ-CD2 4.38Å; V794-L798 WeakPolarHBondContact O-CB 3.48Å; V794-L798 PolarHBondContact O-N 3.02Å; H795-L798 PolarHBondContact O-N 2.96Å; R796-L798 PolarHBondContact O-N 2.84Å; L798-A800 VanDerWaalsContact C-N 3.33Å; L798-A800 PolarHBondContact O-N 3.31Å; L798-I801 HydrophobicContact CD1-CD1 4.37Å; L798-I801 WeakPolarHBondContact O-CB 3.31Å; L798-I801 PolarHBondContact O-N 2.78Å; L798-L802 WeakPolarHBondContact O-CG 3.38Å; L798-L802 PolarHBondContact O-N 3.3Å; L798-L802 VanDerWaalsContact O-N 3.12Å |
| 799 | A | 94.2 | Very high | 87 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F564 H795 R796 L797 I801 L802 N803 | F564-A799 HydrophobicContact CE1-CB 4.17Å; H795-A799 VanDerWaalsContact O-CB 3.27Å; H795-A799 WeakPolarHBondContact O-CB 3.37Å; H795-A799 PolarHBondContact O-N 3.26Å; R796-A799 PolarHBondContact O-N 2.96Å; L797-A799 VanDerWaalsContact C-N 3.34Å; L797-A799 PolarHBondContact O-N 3.32Å; A799-I801 VanDerWaalsContact C-N 3.29Å; A799-I801 PolarHBondContact O-N 2.8Å; A799-L802 PolarHBondContact O-N 3.07Å; A799-N803 PolarHBondContact O-N 3.49Å |
| 800 | A | 92.6 | Very high | 84.9 | Confident | 8 Ų | 8 | 46 Ų | 46 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -29.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F686 R796 L797 L798 N803 R807 M812 | F686-A800 HydrophobicContact CE2-CB 4.47Å; F686-A800 HydrophobicContact CZ-CB 4.22Å; R796-A800 WeakPolarHBondContact O-CB 3.41Å; R796-A800 PolarHBondContact O-N 3.23Å; L797-A800 WeakPolarHBondContact O-CB 2.97Å; L797-A800 PolarHBondContact O-N 3.22Å; L798-A800 VanDerWaalsContact C-N 3.33Å; L798-A800 PolarHBondContact O-N 3.31Å; A800-N803 CarbonylContact O-C 3.26Å; A800-R807 HydrophobicContact CB-CG 4.16Å; A800-R807 PolarHBondContact O-NE 2.83Å; A800-R807 PolarHBondContact O-NH2 3.02Å; A800-M812 HydrophobicContact CB-SD 3.94Å |
| 801 | I | 93.3 | Very high | 83.4 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68 | -44.6 | 171.1 | -66.4 | 167.6 | 0 | 0 | 0 | 110.5 | R681 L682 E685 F686 L797 L798 A799 | R681-I801 HydrophobicContact CG-CD1 4.18Å; L682-I801 HydrophobicContact CD2-CD1 3.7Å; E685-I801 HydrophobicContact CB-CD1 3.7Å; E685-I801 HydrophobicContact CB-CG1 3.8Å; E685-I801 HydrophobicContact CG-CD1 3.83Å; E685-I801 HydrophobicContact CG-CG1 3.93Å; E685-I801 HydrophobicContact CG-CG2 3.93Å; F686-I801 HydrophobicContact CD2-CD1 4.08Å; F686-I801 HydrophobicContact CD2-CG1 4.09Å; F686-I801 HydrophobicContact CE2-CD1 3.93Å; F686-I801 HydrophobicContact CE2-CG1 3.45Å; F686-I801 VanDerWaalsContact CE2-CG1 3.45Å; F686-I801 HydrophobicContact CZ-CG1 4.06Å; L797-I801 WeakPolarHBondContact O-CG1 3.44Å; L797-I801 PolarHBondContact O-N 2.89Å; L798-I801 HydrophobicContact CD1-CD1 4.37Å; L798-I801 WeakPolarHBondContact O-CB 3.31Å; L798-I801 PolarHBondContact O-N 2.78Å; A799-I801 VanDerWaalsContact C-N 3.29Å; A799-I801 PolarHBondContact O-N 2.8Å |
| 802 | L | 92.5 | Very high | 82.5 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72 | -28.3 | -178.4 | -65 | -175.4 | 0 | 0 | 0 | 113.8 | F564 F581 L798 A799 | F564-L802 HydrophobicContact CE2-CD1 3.56Å; F564-L802 HydrophobicContact CZ-CD1 3.67Å; F581-L802 HydrophobicContact CB-CD1 4.26Å; F581-L802 HydrophobicContact CB-CD2 4.24Å; L798-L802 WeakPolarHBondContact O-CG 3.38Å; L798-L802 PolarHBondContact O-N 3.3Å; L798-L802 VanDerWaalsContact O-N 3.12Å; A799-L802 PolarHBondContact O-N 3.07Å |
| 803 | N | 88.1 | Confident | 81.9 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | trans | -127.7 | 77 | -179.2 | -62.6 | -76.8 | 0 | 0 | 0 | 111.3 | A799 A800 E805 R806 | A799-N803 PolarHBondContact O-N 3.49Å; A800-N803 CarbonylContact O-C 3.26Å; N803-E805 PolarHBondContact O-N 2.88Å; N803-E805 VanDerWaalsContact O-N 3.17Å; N803-R806 HydrophobicContact CB-CB 4.31Å; N803-R806 HydrophobicContact CB-CG 4.38Å; N803-R806 PolarHBondContact O-N 3.33Å | ||
| 804 | P | 79.7 | Confident | 81.5 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -57.1 | -32.7 | -177.2 | -24.9 | 34.3 | 0 | 0 | 0 | 113.9 | R806 R807 | P804-R806 VanDerWaalsContact C-N 3.27Å; P804-R806 PolarHBondContact O-N 3.02Å; P804-R807 WeakPolarHBondContact O-CB 3.38Å; P804-R807 WeakPolarHBondContact O-CG 3.47Å; P804-R807 PolarHBondContact O-N 3.39Å; P804-R807 VanDerWaalsContact O-N 3.16Å |
| 805 | E | 76.2 | Confident | 81.2 | Confident | 182 Ų | 182 | 61.2 Ų | 61.2 | 85% | 0.85 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -66 | -27.3 | 179.9 | -58.3 | -169.7 | -179.2 | 0 | 0 | 113.1 | N803 R807 | N803-E805 PolarHBondContact O-N 2.88Å; N803-E805 VanDerWaalsContact O-N 3.17Å; E805-R807 VanDerWaalsContact C-N 3.32Å |
| 806 | R | 69.6 | Low | 80.9 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -85.6 | -1.8 | 177.6 | -65.9 | -174 | 178.3 | -179.5 | -0.7 | 113.2 | E470 N803 P804 T808 A809 S810 | E470-R806 IonicContact OE1-CZ 3.82Å; E470-R806 IonicContact OE1-NH1 3.37Å; E470-R806 IonicContact OE1-NH2 3.68Å; E470-R806 PolarHBondContact OE1-NH2 3.25Å; E470-R806 IonicContact OE2-CZ 3.95Å; E470-R806 IonicContact OE2-NH1 2.77Å; E470-R806 PolarHBondContact OE2-NH1 2.99Å; E470-R806 IonicContact OE2-NH2 2.69Å; E470-R806 PolarHBondContact OE2-NH2 3.38Å; N803-R806 HydrophobicContact CB-CB 4.31Å; N803-R806 HydrophobicContact CB-CG 4.38Å; N803-R806 PolarHBondContact O-N 3.33Å; P804-R806 VanDerWaalsContact C-N 3.27Å; P804-R806 PolarHBondContact O-N 3.02Å; R806-T808 VanDerWaalsContact C-N 3.34Å; R806-T808 PolarHBondContact O-N 3.13Å; R806-A809 PolarHBondContact O-N 2.98Å; R806-S810 PolarHBondContact O-OG 3.09Å |
| 807 | R | 69.5 | Low | 80.8 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 28% | 0.283 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -37.8 | -179.5 | -72 | 176.6 | -177.7 | -168.8 | 3.7 | 112.8 | E685 A800 P804 E805 | E685-R807 IonicContact OE2-NH2 2.62Å; A800-R807 HydrophobicContact CB-CG 4.16Å; A800-R807 PolarHBondContact O-NE 2.83Å; A800-R807 PolarHBondContact O-NH2 3.02Å; P804-R807 WeakPolarHBondContact O-CB 3.38Å; P804-R807 WeakPolarHBondContact O-CG 3.47Å; P804-R807 PolarHBondContact O-N 3.39Å; P804-R807 VanDerWaalsContact O-N 3.16Å; E805-R807 VanDerWaalsContact C-N 3.32Å |
| 808 | T | 53.3 | Low | 80.8 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 81% | 0.81 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -30.4 | -176.9 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | R806 | R806-T808 VanDerWaalsContact C-N 3.34Å; R806-T808 PolarHBondContact O-N 3.13Å |
| 809 | A | 51.1 | Low | 80.7 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 78% | 0.777 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -25 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | R806 | R806-A809 PolarHBondContact O-N 2.98Š|
| 810 | S | 55.2 | Low | 80.5 | Confident | 64 Ų | 64 | 79.1 Ų | 79.1 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -6.3 | -170.4 | 46.2 | 0 | 0 | 0 | 0 | 115.2 | R806 | R806-S810 PolarHBondContact O-OG 3.09Š|
| 811 | G | 66.5 | Low | 80.7 | Confident | 59 Ų | 59 | 80 Ų | 80 | 61% | 0.608 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 79.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 812 | M | 77.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 79.7 Ų | 79.7 | 31% | 0.31 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 132 | 174.6 | -75 | -72.3 | -68.1 | 0 | 0 | 110.1 | F686 L797 A800 | F686-M812 HydrophobicContact CD1-CE 4.3Å; F686-M812 HydrophobicContact CE1-CE 3.85Å; F686-M812 HydrophobicContact CE2-CE 4.04Å; F686-M812 HydrophobicContact CZ-CE 3.71Å; L797-M812 HydrophobicContact CD2-CE 3.34Å; L797-M812 HydrophobicContact CD2-SD 4.27Å; A800-M812 HydrophobicContact CB-SD 3.94Å |
| 813 | P | 83.9 | Confident | 80.7 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 21% | 0.208 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 147.4 | -180 | 26.8 | -30.8 | 0 | 0 | 0 | 110.5 | M793 Q817 V818 | M793-P813 HydrophobicContact CE-CG 3.2Å; M793-P813 HydrophobicContact SD-CG 4.3Å; P813-Q817 VanDerWaalsContact CA-OE1 3.23Å; P813-Q817 HydrophobicContact CB-CB 4Å; P813-V818 HydrophobicContact CB-CG2 4.02Å; P813-V818 HydrophobicContact CG-CG2 3.86Å |
| 814 | D | 89 | Confident | 80.9 | Confident | 80 Ų | 80 | 81.4 Ų | 81.4 | 43% | 0.428 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 170.8 | 173.2 | 72.8 | 40.7 | 0 | 0 | 0 | 112 | M816 Q817 V818 | D814-M816 VanDerWaalsContact C-N 3.26Å; D814-M816 PolarHBondContact O-N 3.48Å; D814-M816 WeakPolarHBondContact OD1-CA 3.41Å; D814-M816 WeakPolarHBondContact OD1-CB 3.32Å; D814-M816 PolarHBondContact OD1-N 2.02Å; D814-Q817 PolarHBondContact O-N 3.44Å; D814-Q817 WeakPolarHBondContact OD1-CG 3.47Å; D814-Q817 PolarHBondContact OD1-N 3.2Å; D814-V818 WeakPolarHBondContact O-CG2 3.45Å; D814-V818 PolarHBondContact O-N 3.43Å |
| 815 | K | 90.3 | Very high | 81.7 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 40% | 0.404 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55.1 | -38 | 179.5 | 171.6 | -179.1 | 161.8 | 174.7 | 0 | 113.3 | V689 G762 T763 D819 | V689-K815 HydrophobicContact CG1-CB 4.35Å; G762-K815 WeakPolarHBondContact O-CE 3.27Å; G762-K815 PolarHBondContact O-NZ 2.99Å; T763-K815 HydrophobicContact CG2-CD 4.25Å; T763-K815 HydrophobicContact CG2-CG 3.87Å; K815-D819 WeakPolarHBondContact O-CB 3.37Å; K815-D819 PolarHBondContact O-N 3.4Å; K815-D819 VanDerWaalsContact O-N 3.1Å |
| 816 | M | 90.9 | Very high | 82.6 | Confident | 152 Ų | 152 | 70.8 Ų | 70.8 | 75% | 0.749 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -74.2 | -39.5 | -177.8 | -64.1 | -172.7 | 74.4 | 0 | 0 | 110.9 | D814 D819 E820 | D814-M816 VanDerWaalsContact C-N 3.26Å; D814-M816 PolarHBondContact O-N 3.48Å; D814-M816 WeakPolarHBondContact OD1-CA 3.41Å; D814-M816 WeakPolarHBondContact OD1-CB 3.32Å; D814-M816 PolarHBondContact OD1-N 2.02Å; M816-D819 PolarHBondContact O-N 3.24Å; M816-E820 PolarHBondContact O-N 3.02Å |
| 817 | Q | 91.9 | Very high | 83.6 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.3 | -67.4 | 176.2 | -51.7 | 0 | 0 | 111.6 | P813 D814 D819 L821 | P813-Q817 VanDerWaalsContact CA-OE1 3.23Å; P813-Q817 HydrophobicContact CB-CB 4Å; D814-Q817 PolarHBondContact O-N 3.44Å; D814-Q817 WeakPolarHBondContact OD1-CG 3.47Å; D814-Q817 PolarHBondContact OD1-N 3.2Å; Q817-D819 VanDerWaalsContact C-N 3.34Å; Q817-L821 WeakPolarHBondContact O-CB 3.36Å; Q817-L821 PolarHBondContact O-N 3.03Å |
| 818 | V | 94.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | L691 C760 M793 P813 D814 L821 C822 | L691-V818 HydrophobicContact CB-CG1 4.19Å; C760-V818 HydrophobicContact CB-CB 4.2Å; C760-V818 HydrophobicContact CB-CG1 3.83Å; M793-V818 HydrophobicContact CE-CG2 4.43Å; P813-V818 HydrophobicContact CB-CG2 4.02Å; P813-V818 HydrophobicContact CG-CG2 3.86Å; D814-V818 WeakPolarHBondContact O-CG2 3.45Å; D814-V818 PolarHBondContact O-N 3.43Å; V818-L821 PolarHBondContact O-N 3.26Å; V818-C822 PolarHBondContact O-N 2.9Å; V818-C822 PolarHBondContact O-SG 3.08Å |
| 819 | D | 93.4 | Very high | 86.6 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67 | -46 | 177.3 | -166.1 | 73.9 | 0 | 0 | 0 | 112.4 | C760 T763 K815 M816 Q817 L821 C822 Q823 | C760-D819 HydrophobicContact CB-CB 4.28Å; T763-D819 HydrophobicContact CG2-CB 3.95Å; T763-D819 WeakPolarHBondContact CG2-OD1 3.48Å; T763-D819 PolarHBondContact OG1-OD1 2.87Å; K815-D819 WeakPolarHBondContact O-CB 3.37Å; K815-D819 PolarHBondContact O-N 3.4Å; K815-D819 VanDerWaalsContact O-N 3.1Å; M816-D819 PolarHBondContact O-N 3.24Å; Q817-D819 VanDerWaalsContact C-N 3.34Å; D819-L821 VanDerWaalsContact C-N 3.3Å; D819-L821 PolarHBondContact O-N 2.82Å; D819-C822 WeakPolarHBondContact O-CB 3.06Å; D819-C822 PolarHBondContact O-N 3.47Å; D819-C822 VanDerWaalsContact O-N 3.1Å; D819-Q823 WeakPolarHBondContact O-CG 3.27Å; D819-Q823 PolarHBondContact O-N 3.17Å; D819-Q823 PolarHBondContact OD2-NE2 3.22Å |
| 820 | E | 91.7 | Very high | 88.5 | Confident | 139 Ų | 139 | 61.8 Ų | 61.8 | 65% | 0.65 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59 | -42.9 | 174.3 | -175.9 | 175.2 | -167.3 | 0 | 0 | 111.3 | M816 C822 Q823 N824 | M816-E820 PolarHBondContact O-N 3.02Å; E820-C822 PolarHBondContact O-N 3.2Å; E820-Q823 WeakPolarHBondContact O-CB 3.02Å; E820-Q823 PolarHBondContact O-N 3.28Å; E820-N824 PolarHBondContact O-N 2.98Å |
| 821 | L | 95.2 | Very high | 90.3 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | 173.4 | 177.5 | 63 | 0 | 0 | 0 | 111.4 | L691 Y789 M793 Q817 V818 D819 Q823 N824 L825 | L691-L821 HydrophobicContact CD1-CD2 4.12Å; Y789-L821 HydrophobicContact CD1-CD1 3.73Å; Y789-L821 HydrophobicContact CD1-CD2 4.22Å; Y789-L821 HydrophobicContact CE1-CD1 3.63Å; Y789-L821 HydrophobicContact CE1-CD2 3.83Å; Y789-L821 HydrophobicContact CE1-CG 4.37Å; M793-L821 HydrophobicContact CB-CD2 4.27Å; M793-L821 HydrophobicContact CG-CD2 3.98Å; M793-L821 HydrophobicContact SD-CD2 4.46Å; Q817-L821 WeakPolarHBondContact O-CB 3.36Å; Q817-L821 PolarHBondContact O-N 3.03Å; V818-L821 PolarHBondContact O-N 3.26Å; D819-L821 VanDerWaalsContact C-N 3.3Å; D819-L821 PolarHBondContact O-N 2.82Å; L821-Q823 VanDerWaalsContact C-N 3.28Å; L821-Q823 PolarHBondContact O-N 2.97Å; L821-N824 PolarHBondContact O-N 2.96Å; L821-L825 HydrophobicContact CD1-CD1 4.21Å; L821-L825 HydrophobicContact CD1-CD2 4.47Å; L821-L825 HydrophobicContact CD1-CG 4.08Å; L821-L825 HydrophobicContact CD2-CD1 4.43Å; L821-L825 HydrophobicContact CG-CD1 3.85Å; L821-L825 HydrophobicContact CG-CG 4.21Å; L821-L825 WeakPolarHBondContact O-CB 3.45Å; L821-L825 VanDerWaalsContact O-CG 3.23Å; L821-L825 WeakPolarHBondContact O-CG 3.44Å; L821-L825 PolarHBondContact O-N 3.07Å |
| 822 | C | 96 | Very high | 91.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 177.6 | -70.7 | 0 | 0 | 0 | 0 | 112 | V818 D819 E820 L825 N826 | V818-C822 PolarHBondContact O-N 2.9Å; V818-C822 PolarHBondContact O-SG 3.08Å; D819-C822 WeakPolarHBondContact O-CB 3.06Å; D819-C822 PolarHBondContact O-N 3.47Å; D819-C822 VanDerWaalsContact O-N 3.1Å; E820-C822 PolarHBondContact O-N 3.2Å; C822-L825 PolarHBondContact O-N 3.24Å; C822-N826 WeakPolarHBondContact O-CB 3.45Å; C822-N826 PolarHBondContact O-N 3.28Å; C822-N826 PolarHBondContact O-ND2 3.25Å |
| 823 | Q | 90.3 | Very high | 92.1 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 176.4 | -66.2 | 174.3 | 26.6 | 0 | 0 | 111.2 | D819 E820 L821 N826 H827 | D819-Q823 WeakPolarHBondContact O-CG 3.27Å; D819-Q823 PolarHBondContact O-N 3.17Å; D819-Q823 PolarHBondContact OD2-NE2 3.22Å; E820-Q823 WeakPolarHBondContact O-CB 3.02Å; E820-Q823 PolarHBondContact O-N 3.28Å; L821-Q823 VanDerWaalsContact C-N 3.28Å; L821-Q823 PolarHBondContact O-N 2.97Å; Q823-N826 PolarHBondContact O-N 3.15Å; Q823-H827 PolarHBondContact O-N 2.71Å |
| 824 | N | 93.3 | Very high | 92.3 | Very high | 46 Ų | 46 | 59.9 Ų | 59.9 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 175.7 | -173 | 50.5 | 0 | 0 | 0 | 111.8 | A528 E529 E820 L821 N826 H827 R828 | A528-N824 PolarHBondContact O-ND2 3.23Å; E529-N824 PolarHBondContact O-ND2 2.76Å; E820-N824 PolarHBondContact O-N 2.98Å; L821-N824 PolarHBondContact O-N 2.96Å; N824-N826 VanDerWaalsContact C-N 3.31Å; N824-N826 PolarHBondContact O-N 3.17Å; N824-H827 PolarHBondContact O-N 3.45Å; N824-H827 VanDerWaalsContact O-N 3.14Å; N824-R828 WeakPolarHBondContact O-CB 3.37Å; N824-R828 WeakPolarHBondContact O-CG 3.13Å; N824-R828 PolarHBondContact O-N 2.69Å |
| 825 | L | 95.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 179.3 | -68.8 | 171.5 | 0 | 0 | 0 | 112.3 | L691 Y758 Y789 A790 L821 C822 H829 | L691-L825 HydrophobicContact CD1-CD1 3.89Å; Y758-L825 HydrophobicContact CD2-CB 3.6Å; Y758-L825 HydrophobicContact CD2-CD1 4.41Å; Y758-L825 HydrophobicContact CE2-CB 3.94Å; Y758-L825 HydrophobicContact CG-CB 4.38Å; Y758-L825 HydrophobicContact CG-CD1 4.5Å; Y789-L825 HydrophobicContact CD1-CD2 4.34Å; A790-L825 HydrophobicContact CB-CD1 3.94Å; L821-L825 HydrophobicContact CD1-CD1 4.21Å; L821-L825 HydrophobicContact CD1-CD2 4.47Å; L821-L825 HydrophobicContact CD1-CG 4.08Å; L821-L825 HydrophobicContact CD2-CD1 4.43Å; L821-L825 HydrophobicContact CG-CD1 3.85Å; L821-L825 HydrophobicContact CG-CG 4.21Å; L821-L825 WeakPolarHBondContact O-CB 3.45Å; L821-L825 VanDerWaalsContact O-CG 3.23Å; L821-L825 WeakPolarHBondContact O-CG 3.44Å; L821-L825 PolarHBondContact O-N 3.07Å; C822-L825 PolarHBondContact O-N 3.24Å; L825-H829 WeakPolarHBondContact O-CB 3.35Å; L825-H829 PolarHBondContact O-N 3.38Å |
| 826 | N | 95.1 | Very high | 92.4 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 16% | 0.155 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.7 | -74.4 | -37.7 | 0 | 0 | 0 | 112 | V757 Y758 C822 Q823 N824 R830 | V757-N826 VanDerWaalsContact CA-OD1 3.26Å; V757-N826 WeakPolarHBondContact CA-OD1 3.15Å; Y758-N826 WeakPolarHBondContact CD2-OD1 3.42Å; Y758-N826 PolarHBondContact N-OD1 3.27Å; Y758-N826 PolarHBondContact O-ND2 3.02Å; C822-N826 WeakPolarHBondContact O-CB 3.45Å; C822-N826 PolarHBondContact O-N 3.28Å; C822-N826 PolarHBondContact O-ND2 3.25Å; Q823-N826 PolarHBondContact O-N 3.15Å; N824-N826 VanDerWaalsContact C-N 3.31Å; N824-N826 PolarHBondContact O-N 3.17Å; N826-R830 WeakPolarHBondContact O-CB 3.35Å; N826-R830 PolarHBondContact O-N 3.3Å |
| 827 | H | 90.4 | Very high | 92.2 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 30% | 0.296 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65 | -53.6 | 176.4 | 169.9 | 78.1 | 0 | 0 | 0 | 111.3 | E442 Q823 N824 H829 R830 M831 | E442-H827 IonicContact OE1-CE1 3.64Å; Q823-H827 PolarHBondContact O-N 2.71Å; N824-H827 PolarHBondContact O-N 3.45Å; N824-H827 VanDerWaalsContact O-N 3.14Å; H827-H829 PolarHBondContact O-N 3.04Å; H827-R830 WeakPolarHBondContact O-CB 3.39Å; H827-R830 PolarHBondContact O-N 3.18Å; H827-R830 VanDerWaalsContact O-N 3.14Å; H827-M831 PolarHBondContact O-N 2.91Å |
| 828 | R | 94.5 | Very high | 92 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 179.7 | -67.8 | -61.4 | -170.6 | -162 | 2.1 | 112.5 | E442 E529 R530 N824 R830 M831 A832 | E442-R828 PolarHBondContact O-NH1 3.01Å; E529-R828 PolarHBondContact O-NE 3.45Å; E529-R828 PolarHBondContact O-NH2 3.04Å; R530-R828 WeakPolarHBondContact O-CB 3.26Å; R530-R828 WeakPolarHBondContact O-CG 3.33Å; N824-R828 WeakPolarHBondContact O-CB 3.37Å; N824-R828 WeakPolarHBondContact O-CG 3.13Å; N824-R828 PolarHBondContact O-N 2.69Å; R828-R830 PolarHBondContact O-N 3.01Å; R828-M831 PolarHBondContact O-N 2.73Å; R828-A832 WeakPolarHBondContact O-CB 3.33Å; R828-A832 PolarHBondContact O-N 2.99Å |
| 829 | H | 92.9 | Very high | 91.8 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 19% | 0.185 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 176.3 | -176.5 | 62.8 | 0 | 0 | 0 | 112.5 | L825 H827 A832 Q833 | L825-H829 WeakPolarHBondContact O-CB 3.35Å; L825-H829 PolarHBondContact O-N 3.38Å; H827-H829 PolarHBondContact O-N 3.04Å; H829-A832 PolarHBondContact O-N 3.21Å; H829-Q833 PolarHBondContact NE2-NE2 3.31Å; H829-Q833 WeakPolarHBondContact O-CG 3.39Å; H829-Q833 PolarHBondContact O-N 3.2Å; H829-Q833 VanDerWaalsContact O-N 3.09Å |
| 830 | R | 90.5 | Very high | 91.4 | Very high | 104 Ų | 104 | 49.3 Ų | 49.3 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 177.5 | -173.4 | -173.2 | -59.8 | 165.2 | 1.5 | 111.4 | N826 H827 R828 Q833 Y834 | N826-R830 WeakPolarHBondContact O-CB 3.35Å; N826-R830 PolarHBondContact O-N 3.3Å; H827-R830 WeakPolarHBondContact O-CB 3.39Å; H827-R830 PolarHBondContact O-N 3.18Å; H827-R830 VanDerWaalsContact O-N 3.14Å; R828-R830 PolarHBondContact O-N 3.01Å; R830-Q833 PolarHBondContact O-N 3.23Å; R830-Y834 HydrophobicContact CG-CD2 4.31Å; R830-Y834 HydrophobicContact CG-CE1 4.28Å; R830-Y834 HydrophobicContact CG-CE2 3.74Å; R830-Y834 PolarHBondContact O-N 3.13Å |
| 831 | M | 92.2 | Very high | 91 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 178.1 | -75.1 | -44.6 | 94.5 | 0 | 0 | 112 | H441 H827 R828 Q833 Y834 A835 | H441-M831 WeakPolarHBondContact O-CB 3.31Å; H441-M831 VanDerWaalsContact O-CG 3.27Å; H441-M831 WeakPolarHBondContact O-CG 3.26Å; H827-M831 PolarHBondContact O-N 2.91Å; R828-M831 PolarHBondContact O-N 2.73Å; M831-Q833 VanDerWaalsContact C-N 3.32Å; M831-Q833 PolarHBondContact O-N 2.92Å; M831-Y834 HydrophobicContact CE-CD2 3.63Å; M831-Y834 HydrophobicContact CE-CE2 3.81Å; M831-Y834 PolarHBondContact O-N 2.81Å; M831-Y834 VanDerWaalsContact O-N 3.13Å; M831-Y834 HydrophobicContact SD-CD2 4.49Å; M831-A835 WeakPolarHBondContact O-CB 3.33Å; M831-A835 PolarHBondContact O-N 3.17Å |
| 832 | A | 92.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.9 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T532 V534 R828 H829 A835 G836 | T532-A832 HydrophobicContact CG2-CB 3.69Å; V534-A832 HydrophobicContact CB-CB 4.4Å; V534-A832 HydrophobicContact CG1-CB 4.27Å; V534-A832 HydrophobicContact CG2-CB 3.64Å; R828-A832 WeakPolarHBondContact O-CB 3.33Å; R828-A832 PolarHBondContact O-N 2.99Å; H829-A832 PolarHBondContact O-N 3.21Å; A832-A835 PolarHBondContact O-N 3.37Å; A832-G836 PolarHBondContact O-N 2.96Å |
| 833 | Q | 89.2 | Confident | 90.2 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 176 | -74.1 | -177.4 | -28.3 | 0 | 0 | 112.7 | H829 R830 M831 R837 | H829-Q833 PolarHBondContact NE2-NE2 3.31Å; H829-Q833 WeakPolarHBondContact O-CG 3.39Å; H829-Q833 PolarHBondContact O-N 3.2Å; H829-Q833 VanDerWaalsContact O-N 3.09Å; R830-Q833 PolarHBondContact O-N 3.23Å; M831-Q833 VanDerWaalsContact C-N 3.32Å; M831-Q833 PolarHBondContact O-N 2.92Å; Q833-R837 VanDerWaalsContact O-CG 3.32Å; Q833-R837 WeakPolarHBondContact O-CG 3.47Å; Q833-R837 PolarHBondContact O-N 3.08Å; Q833-R837 VanDerWaalsContact O-N 3.11Å |
| 834 | Y | 89.3 | Confident | 89.9 | Confident | 66 Ų | 66 | 40.7 Ų | 40.7 | 26% | 0.259 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.8 | -42.4 | 177.5 | -66.7 | -14.5 | 0 | 0 | 0 | 111.6 | H441 R830 M831 R837 A838 | H441-Y834 WeakPolarHBondContact CD2-CB 3.35Å; H441-Y834 WeakPolarHBondContact NE2-CB 3.45Å; R830-Y834 HydrophobicContact CG-CD2 4.31Å; R830-Y834 HydrophobicContact CG-CE1 4.28Å; R830-Y834 HydrophobicContact CG-CE2 3.74Å; R830-Y834 PolarHBondContact O-N 3.13Å; M831-Y834 HydrophobicContact CE-CD2 3.63Å; M831-Y834 HydrophobicContact CE-CE2 3.81Å; M831-Y834 PolarHBondContact O-N 2.81Å; M831-Y834 VanDerWaalsContact O-N 3.13Å; M831-Y834 HydrophobicContact SD-CD2 4.49Å; Y834-R837 PolarHBondContact O-N 3.34Å; Y834-A838 WeakPolarHBondContact O-CB 3.47Å; Y834-A838 PolarHBondContact O-N 3.1Å |
| 835 | A | 91.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -49.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L437 H441 V443 V534 L536 M831 A832 R837 A838 S839 | L437-A835 HydrophobicContact CD2-CB 3.77Å; H441-A835 HydrophobicContact CB-CB 4.03Å; V443-A835 HydrophobicContact CG2-CB 3.98Å; V534-A835 HydrophobicContact CG1-CB 4.02Å; L536-A835 HydrophobicContact CD2-CB 4.21Å; M831-A835 WeakPolarHBondContact O-CB 3.33Å; M831-A835 PolarHBondContact O-N 3.17Å; A832-A835 PolarHBondContact O-N 3.37Å; A835-R837 VanDerWaalsContact C-N 3.33Å; A835-R837 PolarHBondContact O-N 3.18Å; A835-A838 PolarHBondContact O-N 3.4Å; A835-S839 WeakPolarHBondContact O-CB 3.43Å; A835-S839 PolarHBondContact O-N 3.08Å |
| 836 | G | 90.2 | Very high | 88.9 | Confident | 17 Ų | 17 | 42 Ų | 42 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A832 S839 V840 | A832-G836 PolarHBondContact O-N 2.96Å; G836-S839 PolarHBondContact O-N 3.34Å; G836-V840 WeakPolarHBondContact O-CG2 3.2Å; G836-V840 PolarHBondContact O-N 3.23Å |
| 837 | R | 85.5 | Confident | 88.4 | Confident | 161 Ų | 161 | 41.2 Ų | 41.2 | 61% | 0.608 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -66.9 | -41.2 | 175.7 | -73.7 | 175.5 | -175.5 | 172 | 3.1 | 112.9 | Q833 Y834 A835 S839 V840 L841 | Q833-R837 VanDerWaalsContact O-CG 3.32Å; Q833-R837 WeakPolarHBondContact O-CG 3.47Å; Q833-R837 PolarHBondContact O-N 3.08Å; Q833-R837 VanDerWaalsContact O-N 3.11Å; Y834-R837 PolarHBondContact O-N 3.34Å; A835-R837 VanDerWaalsContact C-N 3.33Å; A835-R837 PolarHBondContact O-N 3.18Å; R837-S839 PolarHBondContact O-N 3.33Å; R837-V840 PolarHBondContact O-N 2.7Å; R837-L841 PolarHBondContact O-N 2.98Å |
| 838 | A | 87.5 | Confident | 88.2 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -32.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L437 Y834 A835 L841 L842 | L437-A838 HydrophobicContact CD1-CB 3.29Å; L437-A838 HydrophobicContact CD2-CB 4.49Å; L437-A838 HydrophobicContact CG-CB 3.74Å; Y834-A838 WeakPolarHBondContact O-CB 3.47Å; Y834-A838 PolarHBondContact O-N 3.1Å; A835-A838 PolarHBondContact O-N 3.4Å; A838-L841 WeakPolarHBondContact O-CB 3.23Å; A838-L841 PolarHBondContact O-N 3.01Å; A838-L842 WeakPolarHBondContact O-CB 3.34Å; A838-L842 PolarHBondContact O-N 2.98Å |
| 839 | S | 90.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.2 | -39 | 179.6 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | L437 L536 V537 A835 G836 R837 L841 L842 N843 | L437-S839 VanDerWaalsContact CD1-N 3.3Å; L536-S839 WeakPolarHBondContact CB-OG 3.47Å; V537-S839 PolarHBondContact N-OG 3.34Å; A835-S839 WeakPolarHBondContact O-CB 3.43Å; A835-S839 PolarHBondContact O-N 3.08Å; G836-S839 PolarHBondContact O-N 3.34Å; R837-S839 PolarHBondContact O-N 3.33Å; S839-L841 VanDerWaalsContact C-N 3.29Å; S839-L841 PolarHBondContact O-N 3.47Å; S839-L842 PolarHBondContact O-N 2.77Å; S839-N843 WeakPolarHBondContact O-CB 3.35Å; S839-N843 PolarHBondContact O-N 3.28Å; S839-N843 PolarHBondContact O-ND2 3.34Å |
| 840 | V | 85.9 | Confident | 86.9 | Confident | 44 Ų | 44 | 43.9 Ų | 43.9 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.6 | -44 | 168.6 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | V537 I641 F643 G836 R837 T844 | V537-V840 HydrophobicContact CG2-CG2 3.94Å; I641-V840 HydrophobicContact CD1-CG1 3.57Å; I641-V840 HydrophobicContact CG1-CG1 3.86Å; F643-V840 HydrophobicContact CE2-CB 4.34Å; F643-V840 HydrophobicContact CE2-CG1 4.04Å; F643-V840 HydrophobicContact CE2-CG2 4.36Å; F643-V840 HydrophobicContact CZ-CG1 4.44Å; G836-V840 WeakPolarHBondContact O-CG2 3.2Å; G836-V840 PolarHBondContact O-N 3.23Å; R837-V840 PolarHBondContact O-N 2.7Å; V840-T844 WeakPolarHBondContact O-CB 3.4Å; V840-T844 PolarHBondContact O-N 3.43Å; V840-T844 PolarHBondContact O-OG1 2.82Å |
| 841 | L | 83.4 | Confident | 86.6 | Confident | 78 Ų | 78 | 44 Ų | 44 | 41% | 0.408 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.5 | -175.5 | 62.9 | 0 | 0 | 0 | 111.7 | R837 A838 S839 N843 T844 H845 L876 L929 | R837-L841 PolarHBondContact O-N 2.98Å; A838-L841 WeakPolarHBondContact O-CB 3.23Å; A838-L841 PolarHBondContact O-N 3.01Å; S839-L841 VanDerWaalsContact C-N 3.29Å; S839-L841 PolarHBondContact O-N 3.47Å; L841-N843 PolarHBondContact O-N 3.34Å; L841-T844 WeakPolarHBondContact O-CB 3.49Å; L841-T844 PolarHBondContact O-N 3.14Å; L841-H845 PolarHBondContact O-N 3.07Å; L841-H845 PolarHBondContact O-ND1 2.91Å; L841-L876 HydrophobicContact CD1-CD1 3.58Å; L841-L929 HydrophobicContact CD1-CD1 4.07Å |
| 842 | L | 86.3 | Confident | 86.5 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.1 | -49.2 | 176.4 | 175.2 | 61.6 | 0 | 0 | 0 | 111.2 | E433 A838 S839 T844 H845 L846 | E433-L842 HydrophobicContact CB-CD1 3.74Å; E433-L842 HydrophobicContact CB-CD2 3.72Å; E433-L842 HydrophobicContact CB-CG 4.39Å; E433-L842 HydrophobicContact CG-CD1 4.15Å; A838-L842 WeakPolarHBondContact O-CB 3.34Å; A838-L842 PolarHBondContact O-N 2.98Å; S839-L842 PolarHBondContact O-N 2.77Å; L842-T844 VanDerWaalsContact C-N 3.28Å; L842-T844 PolarHBondContact O-N 2.63Å; L842-H845 WeakPolarHBondContact O-CA 3.26Å; L842-H845 WeakPolarHBondContact O-CB 3.44Å; L842-H845 PolarHBondContact O-N 3.33Å; L842-L846 HydrophobicContact CG-CD1 4.48Å; L842-L846 PolarHBondContact O-N 2.73Å |
| 843 | N | 87.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -29.9 | 179 | -78.2 | -91.5 | 0 | 0 | 0 | 112.4 | V537 F643 P652 S839 L841 H845 L846 F847 | V537-N843 HydrophobicContact CB-CB 4.35Å; V537-N843 WeakPolarHBondContact CB-ND2 3.32Å; V537-N843 HydrophobicContact CG1-CB 4.1Å; V537-N843 HydrophobicContact CG2-CB 4.2Å; F643-N843 HydrophobicContact CD1-CB 4.18Å; F643-N843 HydrophobicContact CD2-CB 4.24Å; F643-N843 HydrophobicContact CE1-CB 3.94Å; F643-N843 HydrophobicContact CE2-CB 4.01Å; F643-N843 HydrophobicContact CG-CB 4.33Å; F643-N843 HydrophobicContact CZ-CB 3.85Å; P652-N843 WeakPolarHBondContact CG-O 3.39Å; S839-N843 WeakPolarHBondContact O-CB 3.35Å; S839-N843 PolarHBondContact O-N 3.28Å; S839-N843 PolarHBondContact O-ND2 3.34Å; L841-N843 PolarHBondContact O-N 3.34Å; N843-H845 VanDerWaalsContact C-N 3.34Å; N843-L846 PolarHBondContact O-N 3.17Å; N843-F847 VanDerWaalsContact O-CB 3.27Å; N843-F847 WeakPolarHBondContact O-CB 3.43Å; N843-F847 PolarHBondContact O-N 2.82Å |
| 844 | T | 84.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 169.5 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | V840 L841 L842 F847 F848 L929 | V840-T844 WeakPolarHBondContact O-CB 3.4Å; V840-T844 PolarHBondContact O-N 3.43Å; V840-T844 PolarHBondContact O-OG1 2.82Å; L841-T844 WeakPolarHBondContact O-CB 3.49Å; L841-T844 PolarHBondContact O-N 3.14Å; L842-T844 VanDerWaalsContact C-N 3.28Å; L842-T844 PolarHBondContact O-N 2.63Å; T844-F847 PolarHBondContact O-N 3.04Å; T844-F848 HydrophobicContact CG2-CD2 4.02Å; T844-F848 HydrophobicContact CG2-CE2 4.26Å; T844-F848 WeakPolarHBondContact O-CD2 3.49Å; T844-F848 PolarHBondContact O-N 3.34Å; T844-F848 VanDerWaalsContact O-N 3.11Å; T844-L929 HydrophobicContact CG2-CD1 3.86Å |
| 845 | H | 83.2 | Confident | 86.9 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 19% | 0.185 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 174.5 | -71.5 | 74.1 | 0 | 0 | 0 | 111.1 | L841 L842 N843 F847 F848 K849 I919 L929 | L841-H845 PolarHBondContact O-N 3.07Å; L841-H845 PolarHBondContact O-ND1 2.91Å; L842-H845 WeakPolarHBondContact O-CA 3.26Å; L842-H845 WeakPolarHBondContact O-CB 3.44Å; L842-H845 PolarHBondContact O-N 3.33Å; N843-H845 VanDerWaalsContact C-N 3.34Å; H845-F847 VanDerWaalsContact C-N 3.3Å; H845-F847 PolarHBondContact O-N 3.28Å; H845-F848 PolarHBondContact O-N 2.86Å; H845-K849 PolarHBondContact O-N 3.48Å; H845-I919 WeakPolarHBondContact O-CD1 3.35Å; H845-L929 PolarHBondContact NE2-N 2.91Å |
| 846 | L | 83.9 | Confident | 87 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 176.9 | -65 | 174.5 | 0 | 0 | 0 | 111.7 | R430 P652 L842 N843 F848 K849 | R430-L846 HydrophobicContact CB-CD1 4.49Å; R430-L846 HydrophobicContact CG-CD1 3.93Å; P652-L846 HydrophobicContact CG-CB 4.16Å; L842-L846 HydrophobicContact CG-CD1 4.48Å; L842-L846 PolarHBondContact O-N 2.73Å; N843-L846 PolarHBondContact O-N 3.17Å; L846-F848 VanDerWaalsContact C-N 3.3Å; L846-F848 PolarHBondContact O-N 3.15Å; L846-K849 VanDerWaalsContact O-CB 3.26Å; L846-K849 WeakPolarHBondContact O-CB 3.3Å; L846-K849 PolarHBondContact O-N 2.81Å |
| 847 | F | 85.1 | Confident | 87.2 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -36 | 177.5 | -177 | -95.7 | 0 | 0 | 0 | 113.3 | P652 I653 V655 N843 T844 H845 K849 R851 Y874 | P652-F847 HydrophobicContact CB-CB 4.27Å; P652-F847 HydrophobicContact CB-CD2 4.11Å; P652-F847 HydrophobicContact CG-CB 3.83Å; P652-F847 HydrophobicContact CG-CD2 4.42Å; P652-F847 WeakPolarHBondContact O-CD2 3.49Å; I653-F847 WeakPolarHBondContact O-CE2 3.41Å; V655-F847 HydrophobicContact CG2-CD1 4.31Å; V655-F847 HydrophobicContact CG2-CD2 4.01Å; V655-F847 HydrophobicContact CG2-CE1 4.33Å; V655-F847 HydrophobicContact CG2-CE2 3.98Å; V655-F847 HydrophobicContact CG2-CG 4.14Å; V655-F847 HydrophobicContact CG2-CZ 4.14Å; N843-F847 VanDerWaalsContact O-CB 3.27Å; N843-F847 WeakPolarHBondContact O-CB 3.43Å; N843-F847 PolarHBondContact O-N 2.82Å; T844-F847 PolarHBondContact O-N 3.04Å; H845-F847 VanDerWaalsContact C-N 3.3Å; H845-F847 PolarHBondContact O-N 3.28Å; F847-K849 VanDerWaalsContact C-N 3.33Å; F847-R851 VanDerWaalsContact O-CD 3.23Å; F847-R851 WeakPolarHBondContact O-CD 3.35Å; F847-Y874 HydrophobicContact CD1-CE1 4.07Å; F847-Y874 AromaticContact CE1-CE1 3.65Å; F847-Y874 HydrophobicContact CE1-CE1 3.65Å; F847-Y874 AromaticContact CE1-CZ 3.93Å; F847-Y874 HydrophobicContact CZ-CE1 4.33Å |
| 848 | F | 86.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 2.3 | -179.4 | -87.4 | -83.8 | 0 | 0 | 0 | 114 | T844 H845 L846 S850 R851 E853 L855 Y874 L917 I919 L929 | T844-F848 HydrophobicContact CG2-CD2 4.02Å; T844-F848 HydrophobicContact CG2-CE2 4.26Å; T844-F848 WeakPolarHBondContact O-CD2 3.49Å; T844-F848 PolarHBondContact O-N 3.34Å; T844-F848 VanDerWaalsContact O-N 3.11Å; H845-F848 PolarHBondContact O-N 2.86Å; L846-F848 VanDerWaalsContact C-N 3.3Å; L846-F848 PolarHBondContact O-N 3.15Å; F848-S850 PolarHBondContact O-N 3.38Å; F848-S850 VanDerWaalsContact O-N 3.14Å; F848-R851 HydrophobicContact CD1-CB 4.22Å; F848-R851 PolarHBondContact O-N 3.4Å; F848-E853 HydrophobicContact CE1-CB 4.24Å; F848-L855 HydrophobicContact CZ-CD1 4.46Å; F848-Y874 HydrophobicContact CE2-CD1 4.04Å; F848-Y874 HydrophobicContact CE2-CD2 4.03Å; F848-Y874 AromaticContact CE2-CE1 3.84Å; F848-Y874 HydrophobicContact CE2-CE1 3.84Å; F848-Y874 AromaticContact CE2-CE2 3.84Å; F848-Y874 HydrophobicContact CE2-CE2 3.84Å; F848-Y874 HydrophobicContact CE2-CG 4.14Å; F848-Y874 AromaticContact CE2-CZ 3.75Å; F848-Y874 HydrophobicContact CZ-CD2 4.03Å; F848-Y874 HydrophobicContact CZ-CE1 4.18Å; F848-Y874 AromaticContact CZ-CE2 3.51Å; F848-Y874 HydrophobicContact CZ-CE2 3.51Å; F848-Y874 AromaticContact CZ-CZ 3.6Å; F848-L917 HydrophobicContact CD1-CD2 4.31Å; F848-L917 HydrophobicContact CD1-CG 4.08Å; F848-L917 HydrophobicContact CD2-CD2 4.09Å; F848-L917 HydrophobicContact CE1-CB 4.13Å; F848-L917 HydrophobicContact CE1-CD2 3.74Å; F848-L917 HydrophobicContact CE1-CG 3.77Å; F848-L917 HydrophobicContact CE2-CD2 3.48Å; F848-L917 VanDerWaalsContact CE2-CD2 3.48Å; F848-L917 HydrophobicContact CE2-CG 4.28Å; F848-L917 HydrophobicContact CG-CD2 4.48Å; F848-L917 HydrophobicContact CG-CG 4.48Å; F848-L917 HydrophobicContact CZ-CB 4.43Å; F848-L917 HydrophobicContact CZ-CD2 3.3Å; F848-L917 HydrophobicContact CZ-CG 3.9Å; F848-I919 VanDerWaalsContact C-CD1 3.44Å; F848-I919 HydrophobicContact CB-CD1 4.01Å; F848-I919 HydrophobicContact CB-CG1 3.85Å; F848-L929 HydrophobicContact CB-CD2 4.04Å; F848-L929 HydrophobicContact CD2-CD2 4.28Å; F848-L929 HydrophobicContact CG-CD2 4.23Å |
| 849 | K | 80.7 | Confident | 88 | Confident | 136 Ų | 136 | 38.8 Ų | 38.8 | 59% | 0.591 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 119.7 | 176.3 | -167.3 | 175.5 | -177.2 | 177.5 | 0 | 109.3 | H845 L846 F847 R851 I919 | H845-K849 PolarHBondContact O-N 3.48Å; L846-K849 VanDerWaalsContact O-CB 3.26Å; L846-K849 WeakPolarHBondContact O-CB 3.3Å; L846-K849 PolarHBondContact O-N 2.81Å; F847-K849 VanDerWaalsContact C-N 3.33Å; K849-R851 PolarHBondContact O-N 3.35Å; K849-I919 HydrophobicContact CB-CD1 4.42Å |
| 850 | S | 79.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 40% | 0.399 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 18.9 | -173.6 | -51.9 | 0 | 0 | 0 | 0 | 115.7 | F848 | F848-S850 PolarHBondContact O-N 3.38Å; F848-S850 VanDerWaalsContact O-N 3.14Å |
| 851 | R | 84.3 | Confident | 87.8 | Confident | 107 Ų | 107 | 39.1 Ų | 39.1 | 40% | 0.404 | 20% | 0.195 | S | C | . | . | trans | -113.7 | 144.1 | 174 | -59.7 | -167.1 | -177.1 | -179.5 | -1.1 | 111.2 | F847 F848 K849 | F847-R851 VanDerWaalsContact O-CD 3.23Å; F847-R851 WeakPolarHBondContact O-CD 3.35Å; F848-R851 HydrophobicContact CD1-CB 4.22Å; F848-R851 PolarHBondContact O-N 3.4Å; K849-R851 PolarHBondContact O-N 3.35Å | ||
| 852 | V | 89.5 | Confident | 88.1 | Confident | 44 Ų | 44 | 35.8 Ų | 35.8 | 27% | 0.267 | 18% | 0.177 | S | C | . | . | trans | -134.1 | 128.9 | 172.5 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | R916 L917 L946 P955 | V852-R916 HydrophobicContact CG1-CG 3.6Å; V852-L917 WeakPolarHBondContact CA-O 3.42Å; V852-L946 HydrophobicContact CG1-CD1 4.26Å; V852-L946 HydrophobicContact CG1-CD2 4.24Å; V852-P955 HydrophobicContact CB-CG 3.96Å; V852-P955 HydrophobicContact CG1-CG 4.23Å; V852-P955 HydrophobicContact CG2-CB 4.05Å; V852-P955 HydrophobicContact CG2-CG 3.78Å | ||
| 853 | E | 92.2 | Very high | 88.1 | Confident | 61 Ų | 61 | 38.5 Ų | 38.5 | 29% | 0.285 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 135.4 | -178.9 | -164.6 | -178.7 | 174.4 | 0 | 0 | 111 | F848 L855 K873 Y874 R916 L917 | F848-E853 HydrophobicContact CE1-CB 4.24Å; E853-L855 HydrophobicContact CB-CD1 4.34Å; E853-L855 HydrophobicContact CB-CG 4.26Å; E853-L855 VanDerWaalsContact CD-CD2 3.44Å; E853-L855 HydrophobicContact CG-CD1 4.47Å; E853-L855 HydrophobicContact CG-CD2 3.93Å; E853-L855 HydrophobicContact CG-CG 3.95Å; E853-L855 WeakPolarHBondContact OE1-CD2 3.37Å; E853-K873 IonicContact OE1-NZ 3.51Å; E853-K873 PolarHBondContact OE1-NZ 3.39Å; E853-K873 IonicContact OE2-NZ 2.63Å; E853-K873 PolarHBondContact OE2-NZ 3.2Å; E853-Y874 PolarHBondContact OE2-OH 3.25Å; E853-R916 WeakPolarHBondContact O-CA 3.44Å; E853-L917 PolarHBondContact N-O 3.45Å; E853-L917 VanDerWaalsContact N-O 3.09Å; E853-L917 PolarHBondContact O-N 2.69Å |
| 854 | D | 95.3 | Very high | 88 | Confident | 38 Ų | 38 | 43.3 Ų | 43.3 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.8 | 170 | -70.3 | -5 | 0 | 0 | 0 | 109.1 | T914 V915 R916 P945 L946 | D854-T914 HydrophobicContact CB-CG2 4.45Å; D854-V915 WeakPolarHBondContact CA-O 3.34Å; D854-R916 WeakPolarHBondContact OD1-CA 3.33Å; D854-R916 VanDerWaalsContact OD1-CB 3.22Å; D854-R916 WeakPolarHBondContact OD1-CB 3.42Å; D854-R916 WeakPolarHBondContact OD1-CG 3.22Å; D854-R916 IonicContact OD1-CZ 3.01Å; D854-R916 IonicContact OD1-NE 3.97Å; D854-R916 PolarHBondContact OD1-NE 3.18Å; D854-R916 IonicContact OD1-NH2 2.8Å; D854-R916 PolarHBondContact OD1-NH2 3.4Å; D854-R916 IonicContact OD2-CZ 3.86Å; D854-R916 IonicContact OD2-NE 3.33Å; D854-R916 IonicContact OD2-NH2 3.77Å; D854-R916 PolarHBondContact OD2-NH2 3.1Å; D854-P945 WeakPolarHBondContact OD2-CA 3.49Å; D854-L946 HydrophobicContact CB-CD1 4.4Å; D854-L946 PolarHBondContact OD2-N 2.99Å |
| 855 | L | 93.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.4 | -166.5 | -68.9 | 162.2 | 0 | 0 | 0 | 111.6 | F848 E853 G857 I871 K873 Y874 V915 L917 | F848-L855 HydrophobicContact CZ-CD1 4.46Å; E853-L855 HydrophobicContact CB-CD1 4.34Å; E853-L855 HydrophobicContact CB-CG 4.26Å; E853-L855 VanDerWaalsContact CD-CD2 3.44Å; E853-L855 HydrophobicContact CG-CD1 4.47Å; E853-L855 HydrophobicContact CG-CD2 3.93Å; E853-L855 HydrophobicContact CG-CG 3.95Å; E853-L855 WeakPolarHBondContact OE1-CD2 3.37Å; L855-G857 PolarHBondContact O-N 3.41Å; L855-I871 HydrophobicContact CB-CG2 4.25Å; L855-I871 HydrophobicContact CD1-CG2 3.95Å; L855-K873 HydrophobicContact CD2-CD 3.61Å; L855-Y874 HydrophobicContact CD1-CD2 3.86Å; L855-Y874 HydrophobicContact CD1-CE2 3.51Å; L855-Y874 HydrophobicContact CD2-CE2 4.1Å; L855-Y874 HydrophobicContact CG-CE2 4.47Å; L855-V915 PolarHBondContact N-O 2.83Å; L855-V915 PolarHBondContact O-N 3.19Å; L855-L917 HydrophobicContact CD1-CB 3.99Å; L855-L917 HydrophobicContact CD1-CD2 4.08Å |
| 856 | P | 93.4 | Very high | 88.5 | Confident | 79 Ų | 79 | 43.1 Ų | 43.1 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 128.6 | 167.3 | 29.1 | -32.9 | 0 | 0 | 0 | 109.7 | ||
| 857 | G | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 170.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L855 L870 S912 V913 | L855-G857 PolarHBondContact O-N 3.41Å; G857-L870 CarbonylContact C-O 3.51Å; G857-L870 WeakPolarHBondContact CA-O 3.42Å; G857-S912 WeakPolarHBondContact O-CA 3.41Å; G857-V913 PolarHBondContact N-O 3.25Å; G857-V913 PolarHBondContact O-N 3.14Å; G857-V913 VanDerWaalsContact O-O 3.08Å |
| 858 | Y | 94.6 | Very high | 89.3 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 134.1 | 177.9 | -60.7 | -94.5 | 0 | 0 | 0 | 111 | Y740 M744 L860 V869 L870 P872 D911 | Y740-Y858 HydrophobicContact CD1-CD1 4.45Å; Y740-Y858 AromaticContact CD1-CD2 3.79Å; Y740-Y858 HydrophobicContact CD1-CD2 3.79Å; Y740-Y858 HydrophobicContact CD1-CE1 4.23Å; Y740-Y858 AromaticContact CD1-CE2 3.57Å; Y740-Y858 HydrophobicContact CD1-CE2 3.57Å; Y740-Y858 HydrophobicContact CD1-CG 4.24Å; Y740-Y858 AromaticContact CD1-CZ 3.79Å; Y740-Y858 HydrophobicContact CE1-CD2 4.01Å; Y740-Y858 HydrophobicContact CE1-CE2 4.08Å; Y740-Y858 HydrophobicContact CG-CE2 4.17Å; M744-Y858 HydrophobicContact CE-CG 4.2Å; M744-Y858 WeakPolarHBondContact SD-CB 3.48Å; M744-Y858 HydrophobicContact SD-CD1 3.62Å; M744-Y858 HydrophobicContact SD-CD2 4.48Å; M744-Y858 HydrophobicContact SD-CE1 4.47Å; M744-Y858 HydrophobicContact SD-CG 3.62Å; Y858-L860 PolarHBondContact O-N 3.37Å; Y858-V869 WeakPolarHBondContact O-CA 3.47Å; Y858-L870 PolarHBondContact N-O 3.5Å; Y858-L870 PolarHBondContact O-N 3.5Å; Y858-P872 HydrophobicContact CD2-CG 3.7Å; Y858-P872 HydrophobicContact CE2-CG 3.71Å; Y858-D911 WeakPolarHBondContact CA-O 3.45Å |
| 859 | I | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 117.3 | 178 | -58.7 | -177.1 | 0 | 0 | 0 | 109 | L862 I867 L907 F910 D911 V913 | I859-L862 HydrophobicContact CD1-CD2 4.47Å; I859-L862 HydrophobicContact CG2-CD1 4.47Å; I859-L862 HydrophobicContact CG2-CD2 3.59Å; I859-L862 HydrophobicContact CG2-CG 3.83Å; I859-I867 HydrophobicContact CD1-CG2 3.96Å; I859-I867 HydrophobicContact CG1-CG2 3.93Å; I859-I867 HydrophobicContact CG2-CG2 4.17Å; I859-L907 HydrophobicContact CD1-CB 3.94Å; I859-L907 HydrophobicContact CD1-CD1 4.47Å; I859-L907 HydrophobicContact CD1-CD2 4.21Å; I859-L907 HydrophobicContact CD1-CG 4.44Å; I859-F910 WeakPolarHBondContact O-CA 2.98Å; I859-F910 PolarHBondContact O-N 3.34Å; I859-D911 HydrophobicContact CD1-CB 4.18Å; I859-D911 PolarHBondContact N-O 2.65Å; I859-V913 HydrophobicContact CD1-CG1 3.92Å; I859-V913 HydrophobicContact CG1-CG1 3.94Å; I859-V913 HydrophobicContact CG1-CG2 4.34Å |
| 860 | L | 88.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -46.8 | 174 | -74.5 | 178 | 0 | 0 | 0 | 111.9 | M744 Y858 Q868 L870 E877 M909 | M744-L860 HydrophobicContact CE-CD2 3.74Å; Y858-L860 PolarHBondContact O-N 3.37Å; L860-Q868 PolarHBondContact N-O 3.33Å; L860-L870 HydrophobicContact CD1-CB 3.68Å; L860-L870 HydrophobicContact CD1-CG 4.49Å; L860-L870 HydrophobicContact CD2-CB 4.23Å; L860-L870 HydrophobicContact CD2-CD2 4.18Å; L860-L870 HydrophobicContact CG-CB 3.68Å; L860-E877 HydrophobicContact CD1-CG 3.81Å; L860-E877 WeakPolarHBondContact CD1-OE2 3.43Å; L860-M909 WeakPolarHBondContact O-CE 3.3Å |
| 861 | F | 85.5 | Confident | 90.8 | Very high | 51 Ų | 51 | 33.6 Ų | 33.6 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 149.4 | -177.5 | -59 | -78.9 | 0 | 0 | 0 | 110.7 | M748 Q868 M909 | M748-F861 HydrophobicContact CE-CE1 3.85Å; M748-F861 HydrophobicContact CE-CZ 3.95Å; F861-Q868 HydrophobicContact CB-CB 4.13Å; F861-Q868 WeakPolarHBondContact O-CB 3.4Å; F861-Q868 PolarHBondContact O-N 2.83Å; F861-M909 HydrophobicContact CD1-CE 3.83Å; F861-M909 HydrophobicContact CE1-CE 3.95Å |
| 862 | L | 88.9 | Confident | 90.8 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.6 | 172.6 | -65.2 | 178.3 | 0 | 0 | 0 | 110.1 | I859 I867 F893 E898 L900 L907 | I859-L862 HydrophobicContact CD1-CD2 4.47Å; I859-L862 HydrophobicContact CG2-CD1 4.47Å; I859-L862 HydrophobicContact CG2-CD2 3.59Å; I859-L862 HydrophobicContact CG2-CG 3.83Å; L862-I867 HydrophobicContact CD2-CB 4.08Å; L862-I867 HydrophobicContact CD2-CG1 3.88Å; L862-I867 HydrophobicContact CD2-CG2 3.8Å; L862-F893 HydrophobicContact CB-CE2 4.22Å; L862-E898 WeakPolarHBondContact CD1-O 3.42Å; L862-L900 HydrophobicContact CD1-CG 4.46Å; L862-L900 HydrophobicContact CD2-CD1 3.89Å; L862-L900 HydrophobicContact CD2-CG 4.41Å; L862-L907 HydrophobicContact CD1-CB 4.4Å; L862-L907 WeakPolarHBondContact CD1-O 3.17Å |
| 863 | R | 86.2 | Confident | 90.6 | Very high | 84 Ų | 84 | 32 Ų | 32 | 32% | 0.317 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 165 | 172.3 | -64.4 | -67.8 | -171.3 | -97.9 | 0.7 | 107.7 | D252 N865 A866 | D252-R863 IonicContact OD2-NH2 2.68Å; R863-N865 PolarHBondContact O-N 3.25Å; R863-N865 VanDerWaalsContact O-N 3.13Å; R863-A866 HydrophobicContact CB-CB 4.21Å; R863-A866 PolarHBondContact N-O 3.11Å; R863-A866 PolarHBondContact O-N 2.95Å |
| 864 | R | 84.5 | Confident | 90.2 | Very high | 101 Ų | 101 | 29.4 Ų | 29.4 | 38% | 0.381 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.5 | -179.4 | -175.3 | 177.4 | 178.3 | -163.5 | -1.8 | 113.6 | S310 V311 N883 F893 | S310-R864 WeakPolarHBondContact O-CB 3.11Å; S310-R864 PolarHBondContact O-N 2.76Å; V311-R864 HydrophobicContact CG1-CB 4.15Å; R864-N883 PolarHBondContact O-ND2 3.42Å; R864-F893 HydrophobicContact CB-CB 4.13Å; R864-F893 HydrophobicContact CB-CD1 4.08Å; R864-F893 HydrophobicContact CB-CG 4.14Å; R864-F893 HydrophobicContact CG-CB 4.05Å |
| 865 | N | 88.2 | Confident | 89.6 | Confident | 35 Ų | 35 | 28.6 Ų | 28.6 | 19% | 0.187 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 13.6 | -179.1 | 72.7 | -36.4 | 0 | 0 | 0 | 113.5 | V311 L312 R863 V882 | V311-N865 WeakPolarHBondContact CA-OD1 3.46Å; L312-N865 PolarHBondContact N-OD1 3Å; L312-N865 PolarHBondContact O-ND2 2.89Å; R863-N865 PolarHBondContact O-N 3.25Å; R863-N865 VanDerWaalsContact O-N 3.13Å; N865-V882 VanDerWaalsContact C-CG2 3.45Å; N865-V882 WeakPolarHBondContact CA-O 3.46Å; N865-V882 WeakPolarHBondContact CB-O 3.42Å; N865-V882 PolarHBondContact O-N 3.29Å |
| 866 | A | 90.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 145.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L312 R863 P879 I880 L881 | L312-A866 HydrophobicContact CB-CB 3.88Å; L312-A866 HydrophobicContact CD2-CB 3.75Å; L312-A866 HydrophobicContact CG-CB 4.47Å; R863-A866 HydrophobicContact CB-CB 4.21Å; R863-A866 PolarHBondContact N-O 3.11Å; R863-A866 PolarHBondContact O-N 2.95Å; A866-P879 HydrophobicContact CB-CB 4.4Å; A866-I880 CarbonylContact C-O 3.55Å; A866-I880 VanDerWaalsContact CA-O 3.28Å; A866-I880 WeakPolarHBondContact CA-O 3.27Å; A866-L881 HydrophobicContact CB-CD2 4.29Å |
| 867 | I | 93.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.1 | 168.4 | -57.3 | 161.7 | 0 | 0 | 0 | 107 | I859 L862 V869 P879 I880 V882 F891 L900 L907 | I859-I867 HydrophobicContact CD1-CG2 3.96Å; I859-I867 HydrophobicContact CG1-CG2 3.93Å; I859-I867 HydrophobicContact CG2-CG2 4.17Å; L862-I867 HydrophobicContact CD2-CB 4.08Å; L862-I867 HydrophobicContact CD2-CG1 3.88Å; L862-I867 HydrophobicContact CD2-CG2 3.8Å; I867-V869 HydrophobicContact CG2-CG2 3.82Å; I867-P879 CarbonylContact O-C 3.59Å; I867-P879 WeakPolarHBondContact O-CA 3.28Å; I867-I880 HydrophobicContact CB-CB 4.31Å; I867-I880 PolarHBondContact N-O 2.87Å; I867-I880 PolarHBondContact O-N 3.05Å; I867-V882 HydrophobicContact CD1-CG1 3.89Å; I867-V882 HydrophobicContact CG1-CG1 4.22Å; I867-F891 HydrophobicContact CD1-CE1 4.44Å; I867-L900 HydrophobicContact CD1-CD1 4.38Å; I867-L900 HydrophobicContact CG1-CD1 3.66Å; I867-L907 HydrophobicContact CD1-CD1 3.67Å; I867-L907 HydrophobicContact CG1-CD1 4.48Å |
| 868 | Q | 91.9 | Very high | 88.5 | Confident | 42 Ų | 42 | 29 Ų | 29 | 20% | 0.196 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 116 | 177.2 | -168.2 | 69.6 | 23.6 | 0 | 0 | 109.4 | L860 F861 | L860-Q868 PolarHBondContact N-O 3.33Å; F861-Q868 HydrophobicContact CB-CB 4.13Å; F861-Q868 WeakPolarHBondContact O-CB 3.4Å; F861-Q868 PolarHBondContact O-N 2.83Å |
| 869 | V | 94.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.3 | -176.1 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | Y858 I867 E877 A878 I880 V913 V915 L931 | Y858-V869 WeakPolarHBondContact O-CA 3.47Å; I867-V869 HydrophobicContact CG2-CG2 3.82Å; V869-E877 VanDerWaalsContact O-CA 3.3Å; V869-E877 WeakPolarHBondContact O-CA 3.3Å; V869-A878 PolarHBondContact N-O 2.83Å; V869-A878 PolarHBondContact O-N 2.82Å; V869-I880 HydrophobicContact CG2-CD1 3.91Å; V869-I880 HydrophobicContact CG2-CG1 4.27Å; V869-V913 HydrophobicContact CG1-CG2 3.91Å; V869-V913 HydrophobicContact CG2-CG2 4.36Å; V869-V915 HydrophobicContact CG1-CG1 4.13Å; V869-V915 HydrophobicContact CG1-CG2 4.36Å; V869-V915 HydrophobicContact CG2-CG1 4.41Å; V869-L931 HydrophobicContact CB-CD1 3.96Å; V869-L931 HydrophobicContact CG1-CD1 4.48Å |
| 870 | L | 92.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.1 | 167.6 | 171.3 | 61.3 | 0 | 0 | 0 | 109.9 | L639 Y740 M744 I747 G857 Y858 L860 P872 E877 | L639-L870 HydrophobicContact CD1-CD1 3.26Å; L639-L870 HydrophobicContact CD2-CD1 4.2Å; L639-L870 HydrophobicContact CG-CD1 4.33Å; Y740-L870 HydrophobicContact CE1-CD2 3.99Å; M744-L870 HydrophobicContact CG-CD2 4.43Å; I747-L870 HydrophobicContact CD1-CD2 4.1Å; G857-L870 CarbonylContact C-O 3.51Å; G857-L870 WeakPolarHBondContact CA-O 3.42Å; Y858-L870 PolarHBondContact N-O 3.5Å; Y858-L870 PolarHBondContact O-N 3.5Å; L860-L870 HydrophobicContact CD1-CB 3.68Å; L860-L870 HydrophobicContact CD1-CG 4.49Å; L860-L870 HydrophobicContact CD2-CB 4.23Å; L860-L870 HydrophobicContact CD2-CD2 4.18Å; L860-L870 HydrophobicContact CG-CB 3.68Å; L870-P872 HydrophobicContact CG-CG 4.34Å; L870-P872 WeakPolarHBondContact O-CD 3.32Å; L870-E877 HydrophobicContact CD1-CG 4.04Å |
| 871 | I | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 96.6 | 173.7 | -47.9 | 173 | 0 | 0 | 0 | 108.2 | L855 K873 Y874 G875 L876 V915 L917 L931 | L855-I871 HydrophobicContact CB-CG2 4.25Å; L855-I871 HydrophobicContact CD1-CG2 3.95Å; I871-K873 VanDerWaalsContact C-N 3.29Å; I871-K873 PolarHBondContact O-N 2.74Å; I871-Y874 HydrophobicContact CG2-CD2 4.02Å; I871-Y874 PolarHBondContact O-N 3.36Å; I871-G875 PolarHBondContact O-N 2.9Å; I871-L876 HydrophobicContact CB-CB 4.44Å; I871-L876 HydrophobicContact CD1-CB 4.36Å; I871-L876 HydrophobicContact CD1-CD2 3.81Å; I871-L876 PolarHBondContact N-O 3.38Å; I871-L876 PolarHBondContact O-N 2.75Å; I871-V915 HydrophobicContact CG1-CG2 4.44Å; I871-L917 HydrophobicContact CD1-CD1 4.27Å; I871-L917 HydrophobicContact CD1-CD2 3.83Å; I871-L917 HydrophobicContact CD1-CG 4.47Å; I871-L931 HydrophobicContact CD1-CD1 4.04Å; I871-L931 HydrophobicContact CD1-CD2 3.7Å; I871-L931 HydrophobicContact CD1-CG 4.33Å; I871-L931 HydrophobicContact CG1-CD1 4.4Å |
| 872 | P | 85.5 | Confident | 88.2 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 20% | 0.195 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -58.8 | -37.6 | -171.9 | -30.1 | 38.9 | 0 | 0 | 0 | 114.3 | Y740 Y858 L870 Y874 G875 | Y740-P872 HydrophobicContact CD1-CG 4.29Å; Y740-P872 HydrophobicContact CE1-CB 4.23Å; Y740-P872 HydrophobicContact CE1-CG 3.56Å; Y740-P872 HydrophobicContact CE2-CB 4.15Å; Y740-P872 HydrophobicContact CE2-CG 4.31Å; Y740-P872 WeakPolarHBondContact OH-CB 3.2Å; Y858-P872 HydrophobicContact CD2-CG 3.7Å; Y858-P872 HydrophobicContact CE2-CG 3.71Å; L870-P872 HydrophobicContact CG-CG 4.34Å; L870-P872 WeakPolarHBondContact O-CD 3.32Å; P872-Y874 PolarHBondContact O-N 3.36Å; P872-G875 PolarHBondContact O-N 3.05Å |
| 873 | K | 84 | Confident | 87.9 | Confident | 89 Ų | 89 | 30.5 Ų | 30.5 | 39% | 0.387 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -55.5 | -39.7 | -178.1 | -171.8 | -177.2 | 177.5 | -159.7 | 0 | 112.3 | E853 L855 I871 | E853-K873 IonicContact OE1-NZ 3.51Å; E853-K873 PolarHBondContact OE1-NZ 3.39Å; E853-K873 IonicContact OE2-NZ 2.63Å; E853-K873 PolarHBondContact OE2-NZ 3.2Å; L855-K873 HydrophobicContact CD2-CD 3.61Å; I871-K873 VanDerWaalsContact C-N 3.29Å; I871-K873 PolarHBondContact O-N 2.74Å |
| 874 | Y | 84.6 | Confident | 87.3 | Confident | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -107.5 | 1.6 | -177.5 | -63.2 | -70.7 | 0 | 0 | 0 | 113.5 | I641 V655 F847 F848 E853 L855 I871 P872 L876 L917 | I641-Y874 WeakPolarHBondContact CD1-O 3.49Å; V655-Y874 HydrophobicContact CB-CD1 4Å; V655-Y874 HydrophobicContact CB-CE1 3.87Å; V655-Y874 HydrophobicContact CG1-CD1 3.99Å; V655-Y874 HydrophobicContact CG1-CE1 4.36Å; V655-Y874 HydrophobicContact CG2-CD1 4.03Å; V655-Y874 HydrophobicContact CG2-CE1 3.85Å; F847-Y874 HydrophobicContact CD1-CE1 4.07Å; F847-Y874 AromaticContact CE1-CE1 3.65Å; F847-Y874 HydrophobicContact CE1-CE1 3.65Å; F847-Y874 AromaticContact CE1-CZ 3.93Å; F847-Y874 HydrophobicContact CZ-CE1 4.33Å; F848-Y874 HydrophobicContact CE2-CD1 4.04Å; F848-Y874 HydrophobicContact CE2-CD2 4.03Å; F848-Y874 AromaticContact CE2-CE1 3.84Å; F848-Y874 HydrophobicContact CE2-CE1 3.84Å; F848-Y874 AromaticContact CE2-CE2 3.84Å; F848-Y874 HydrophobicContact CE2-CE2 3.84Å; F848-Y874 HydrophobicContact CE2-CG 4.14Å; F848-Y874 AromaticContact CE2-CZ 3.75Å; F848-Y874 HydrophobicContact CZ-CD2 4.03Å; F848-Y874 HydrophobicContact CZ-CE1 4.18Å; F848-Y874 AromaticContact CZ-CE2 3.51Å; F848-Y874 HydrophobicContact CZ-CE2 3.51Å; F848-Y874 AromaticContact CZ-CZ 3.6Å; E853-Y874 PolarHBondContact OE2-OH 3.25Å; L855-Y874 HydrophobicContact CD1-CD2 3.86Å; L855-Y874 HydrophobicContact CD1-CE2 3.51Å; L855-Y874 HydrophobicContact CD2-CE2 4.1Å; L855-Y874 HydrophobicContact CG-CE2 4.47Å; I871-Y874 HydrophobicContact CG2-CD2 4.02Å; I871-Y874 PolarHBondContact O-N 3.36Å; P872-Y874 PolarHBondContact O-N 3.36Å; Y874-L876 PolarHBondContact O-N 3.04Å; Y874-L917 HydrophobicContact CD2-CD2 4.23Å |
| 875 | G | 82.2 | Confident | 86.4 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 22.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I871 P872 | I871-G875 PolarHBondContact O-N 2.9Å; P872-G875 PolarHBondContact O-N 3.05Å |
| 876 | L | 84.4 | Confident | 85.3 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 146 | -173.2 | -172.7 | 80.1 | 0 | 0 | 0 | 110.6 | L841 I871 Y874 A878 L917 L929 | L841-L876 HydrophobicContact CD1-CD1 3.58Å; I871-L876 HydrophobicContact CB-CB 4.44Å; I871-L876 HydrophobicContact CD1-CB 4.36Å; I871-L876 HydrophobicContact CD1-CD2 3.81Å; I871-L876 PolarHBondContact N-O 3.38Å; I871-L876 PolarHBondContact O-N 2.75Å; Y874-L876 PolarHBondContact O-N 3.04Å; L876-A878 HydrophobicContact CD2-CB 4.29Å; L876-L917 HydrophobicContact CD2-CD1 4.09Å; L876-L917 HydrophobicContact CD2-CD2 4.27Å; L876-L929 HydrophobicContact CD1-CD1 3.59Å; L876-L929 HydrophobicContact CD2-CB 4.29Å; L876-L929 HydrophobicContact CD2-CD1 3.59Å; L876-L929 HydrophobicContact CD2-CG 4.47Å; L876-L929 HydrophobicContact CG-CD1 4.23Å |
| 877 | E | 86.5 | Confident | 84.3 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.3 | 165.4 | -64.6 | 169.9 | -134.8 | 0 | 0 | 109.6 | R751 L860 V869 L870 | R751-E877 IonicContact CZ-OE1 3.69Å; R751-E877 VanDerWaalsContact CZ-OE1 3.27Å; R751-E877 IonicContact CZ-OE2 3.82Å; R751-E877 IonicContact NH1-OE1 3.76Å; R751-E877 PolarHBondContact NH1-OE1 3.07Å; R751-E877 IonicContact NH1-OE2 3.22Å; R751-E877 PolarHBondContact NH1-OE2 3.09Å; R751-E877 IonicContact NH2-OE1 3.48Å; R751-E877 PolarHBondContact NH2-OE1 2.85Å; R751-E877 IonicContact NH2-OE2 2.84Å; R751-E877 PolarHBondContact NH2-OE2 3.06Å; L860-E877 HydrophobicContact CD1-CG 3.81Å; L860-E877 WeakPolarHBondContact CD1-OE2 3.43Å; V869-E877 VanDerWaalsContact O-CA 3.3Å; V869-E877 WeakPolarHBondContact O-CA 3.3Å; L870-E877 HydrophobicContact CD1-CG 4.04Å |
| 878 | A | 87.4 | Confident | 83.4 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 148 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V869 L876 L931 | V869-A878 PolarHBondContact N-O 2.83Å; V869-A878 PolarHBondContact O-N 2.82Å; L876-A878 HydrophobicContact CD2-CB 4.29Å; A878-L931 HydrophobicContact CB-CD1 3.61Å; A878-L931 HydrophobicContact CB-CG 3.89Å |
| 879 | P | 90.7 | Very high | 83.1 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 142.2 | 175.3 | 32.8 | -32.9 | 0 | 0 | 0 | 111.1 | L312 A866 I867 | L312-P879 HydrophobicContact CD2-CB 3.48Å; L312-P879 VanDerWaalsContact CD2-CB 3.48Å; L312-P879 HydrophobicContact CD2-CG 3.79Å; A866-P879 HydrophobicContact CB-CB 4.4Å; I867-P879 CarbonylContact O-C 3.59Å; I867-P879 WeakPolarHBondContact O-CA 3.28Å |
| 880 | I | 91.7 | Very high | 82.6 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.2 | 157.4 | -55.1 | 173.1 | 0 | 0 | 0 | 106.6 | A866 I867 V869 V915 L931 L933 F941 | A866-I880 CarbonylContact C-O 3.55Å; A866-I880 VanDerWaalsContact CA-O 3.28Å; A866-I880 WeakPolarHBondContact CA-O 3.27Å; I867-I880 HydrophobicContact CB-CB 4.31Å; I867-I880 PolarHBondContact N-O 2.87Å; I867-I880 PolarHBondContact O-N 3.05Å; V869-I880 HydrophobicContact CG2-CD1 3.91Å; V869-I880 HydrophobicContact CG2-CG1 4.27Å; I880-V915 HydrophobicContact CD1-CG1 3.87Å; I880-L931 HydrophobicContact CD1-CB 4.29Å; I880-L931 HydrophobicContact CG1-CB 3.62Å; I880-L933 HydrophobicContact CD1-CB 4.21Å; I880-L933 HydrophobicContact CD1-CD1 4.38Å; I880-F941 HydrophobicContact CG2-CE1 4.24Å; I880-F941 HydrophobicContact CG2-CZ 3.74Å |
| 881 | L | 87.4 | Confident | 82.5 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131.8 | 178.9 | -62.5 | 178.8 | 0 | 0 | 0 | 110.3 | L312 F317 A866 Q884 | L312-L881 HydrophobicContact CD2-CD2 3.9Å; F317-L881 HydrophobicContact CD1-CD1 4.03Å; F317-L881 HydrophobicContact CD2-CD1 4.21Å; F317-L881 HydrophobicContact CE1-CD1 3.89Å; F317-L881 HydrophobicContact CE2-CD1 4.13Å; F317-L881 HydrophobicContact CG-CD1 4.2Å; F317-L881 HydrophobicContact CZ-CD1 3.96Å; A866-L881 HydrophobicContact CB-CD2 4.29Å; L881-Q884 HydrophobicContact CB-CG 4.3Å |
| 882 | V | 87.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | trans | -121.5 | 164.6 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | N865 I867 Q884 F891 L900 F941 | N865-V882 VanDerWaalsContact C-CG2 3.45Å; N865-V882 WeakPolarHBondContact CA-O 3.46Å; N865-V882 WeakPolarHBondContact CB-O 3.42Å; N865-V882 PolarHBondContact O-N 3.29Å; I867-V882 HydrophobicContact CD1-CG1 3.89Å; I867-V882 HydrophobicContact CG1-CG1 4.22Å; V882-Q884 VanDerWaalsContact C-N 3.27Å; V882-Q884 PolarHBondContact O-N 3.44Å; V882-F891 HydrophobicContact CB-CD2 3.71Å; V882-F891 HydrophobicContact CB-CE2 4.03Å; V882-F891 HydrophobicContact CB-CG 4.03Å; V882-F891 HydrophobicContact CG1-CD1 4.33Å; V882-F891 HydrophobicContact CG1-CD2 4Å; V882-F891 HydrophobicContact CG1-CE1 4.24Å; V882-F891 HydrophobicContact CG1-CE2 3.89Å; V882-F891 HydrophobicContact CG1-CG 4.23Å; V882-F891 HydrophobicContact CG1-CZ 4.02Å; V882-F891 HydrophobicContact CG2-CB 4.2Å; V882-F891 HydrophobicContact CG2-CD2 4.32Å; V882-F891 HydrophobicContact CG2-CG 4.17Å; V882-L900 HydrophobicContact CG2-CD1 4.27Å; V882-F941 HydrophobicContact CG1-CE1 4.45Å; V882-F941 HydrophobicContact CG1-CE2 4.04Å; V882-F941 HydrophobicContact CG1-CZ 3.66Å | ||
| 883 | N | 81.2 | Confident | 82.5 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 56 | 38.4 | 178.2 | -63.1 | -29.7 | 0 | 0 | 0 | 113.6 | R864 I890 F891 | R864-N883 PolarHBondContact O-ND2 3.42Å; N883-I890 WeakPolarHBondContact OD1-CA 3.45Å; N883-F891 PolarHBondContact ND2-O 3.46Å; N883-F891 PolarHBondContact OD1-N 3.27Å |
| 884 | Q | 75.2 | Confident | 82.6 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 53% | 0.533 | 31% | 0.313 | S | S | . | . | trans | -70.1 | 166.1 | 171.1 | -63.4 | -164.8 | -23.5 | 0 | 0 | 111.1 | L881 V882 D886 A887 | L881-Q884 HydrophobicContact CB-CG 4.3Å; V882-Q884 VanDerWaalsContact C-N 3.27Å; V882-Q884 PolarHBondContact O-N 3.44Å; Q884-D886 PolarHBondContact O-N 3.27Å; Q884-D886 VanDerWaalsContact O-N 3.15Å; Q884-A887 WeakPolarHBondContact O-CB 3.46Å; Q884-A887 PolarHBondContact O-N 3.45Å | ||
| 885 | R | 63.9 | Low | 82.3 | Confident | 194 Ų | 194 | 63.6 Ų | 63.6 | 73% | 0.732 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.7 | -173.3 | -72 | -179 | 176.5 | 179.2 | -3.5 | 113.6 | R332 | R332-R885 VanDerWaalsContact NH1-NH2 3.1Š|
| 886 | D | 64.9 | Low | 82 | Confident | 158 Ų | 158 | 69.7 Ų | 69.7 | 85% | 0.845 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 16.7 | -176.6 | -51.1 | -43 | 0 | 0 | 0 | 112.4 | Q884 Q888 | Q884-D886 PolarHBondContact O-N 3.27Å; Q884-D886 VanDerWaalsContact O-N 3.15Å; D886-Q888 PolarHBondContact O-N 2.99Å |
| 887 | A | 69.2 | Low | 81.8 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | trans | -70.2 | 120.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q884 V889 | Q884-A887 WeakPolarHBondContact O-CB 3.46Å; Q884-A887 PolarHBondContact O-N 3.45Å; A887-V889 PolarHBondContact O-N 3.03Å | ||
| 888 | Q | 76 | Confident | 81.6 | Confident | 172 Ų | 172 | 75 Ų | 75 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -69.9 | -21.6 | 173.1 | -63 | 179.7 | -0.3 | 0 | 0 | 112.2 | D886 | D886-Q888 PolarHBondContact O-N 2.99Š|
| 889 | V | 83.9 | Confident | 81.7 | Confident | 19 Ų | 19 | 75.3 Ų | 75.3 | 12% | 0.115 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -116.2 | 130.2 | -175.6 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | A887 F891 V902 I938 P939 F941 | A887-V889 PolarHBondContact O-N 3.03Å; V889-F891 HydrophobicContact CB-CE2 4.41Å; V889-F891 HydrophobicContact CG1-CD2 4.26Å; V889-F891 HydrophobicContact CG1-CE2 3.9Å; V889-V902 HydrophobicContact CG1-CG1 3.57Å; V889-V902 HydrophobicContact CG1-CG2 4.07Å; V889-I938 HydrophobicContact CG1-CG2 4.09Å; V889-P939 WeakPolarHBondContact CG2-O 3.2Å; V889-F941 HydrophobicContact CB-CB 4.3Å; V889-F941 HydrophobicContact CG2-CB 4.03Å |
| 890 | I | 85.2 | Confident | 81.7 | Confident | 124 Ų | 124 | 73.6 Ų | 73.6 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | trans | -105.2 | 119 | 178.4 | -58.6 | 174 | 0 | 0 | 0 | 109.3 | N883 | N883-I890 WeakPolarHBondContact OD1-CA 3.45Š| ||
| 891 | F | 89.6 | Confident | 81.8 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 2% | 0.022 | 38% | 0.381 | C | S | . | . | trans | -89.2 | 124.5 | 173.6 | -70 | -108.7 | 0 | 0 | 0 | 110.4 | I867 V882 N883 V889 L900 V902 L907 I938 F941 | I867-F891 HydrophobicContact CD1-CE1 4.44Å; V882-F891 HydrophobicContact CB-CD2 3.71Å; V882-F891 HydrophobicContact CB-CE2 4.03Å; V882-F891 HydrophobicContact CB-CG 4.03Å; V882-F891 HydrophobicContact CG1-CD1 4.33Å; V882-F891 HydrophobicContact CG1-CD2 4Å; V882-F891 HydrophobicContact CG1-CE1 4.24Å; V882-F891 HydrophobicContact CG1-CE2 3.89Å; V882-F891 HydrophobicContact CG1-CG 4.23Å; V882-F891 HydrophobicContact CG1-CZ 4.02Å; V882-F891 HydrophobicContact CG2-CB 4.2Å; V882-F891 HydrophobicContact CG2-CD2 4.32Å; V882-F891 HydrophobicContact CG2-CG 4.17Å; N883-F891 PolarHBondContact ND2-O 3.46Å; N883-F891 PolarHBondContact OD1-N 3.27Å; V889-F891 HydrophobicContact CB-CE2 4.41Å; V889-F891 HydrophobicContact CG1-CD2 4.26Å; V889-F891 HydrophobicContact CG1-CE2 3.9Å; F891-L900 HydrophobicContact CB-CD2 4.07Å; F891-L900 HydrophobicContact CD1-CB 4.19Å; F891-L900 HydrophobicContact CD1-CD1 4.45Å; F891-V902 HydrophobicContact CB-CG2 4.1Å; F891-V902 HydrophobicContact CD1-CG2 3.26Å; F891-V902 HydrophobicContact CD2-CG2 3.86Å; F891-V902 HydrophobicContact CE1-CG2 3.48Å; F891-V902 VanDerWaalsContact CE1-CG2 3.48Å; F891-V902 HydrophobicContact CE2-CG2 4.05Å; F891-V902 HydrophobicContact CG-CG2 3.46Å; F891-V902 VanDerWaalsContact CG-CG2 3.46Å; F891-V902 HydrophobicContact CZ-CG2 3.87Å; F891-L907 HydrophobicContact CE1-CD1 4.36Å; F891-I938 HydrophobicContact CE1-CD1 3.77Å; F891-I938 HydrophobicContact CZ-CD1 3.8Å; F891-F941 HydrophobicContact CE2-CD1 4.2Å; F891-F941 AromaticContact CE2-CD2 3.84Å; F891-F941 HydrophobicContact CE2-CD2 3.84Å; F891-F941 HydrophobicContact CE2-CE1 4.34Å; F891-F941 AromaticContact CE2-CE2 3.99Å; F891-F941 HydrophobicContact CE2-CE2 3.99Å; F891-F941 AromaticContact CE2-CG 3.95Å; F891-F941 HydrophobicContact CE2-CG 3.95Å; F891-F941 HydrophobicContact CE2-CZ 4.24Å; F891-F941 AromaticContact CZ-CD1 3.69Å; F891-F941 HydrophobicContact CZ-CD1 3.69Å; F891-F941 HydrophobicContact CZ-CD2 4.17Å; F891-F941 AromaticContact CZ-CE1 3.79Å; F891-F941 HydrophobicContact CZ-CE1 3.79Å; F891-F941 HydrophobicContact CZ-CE2 4.27Å; F891-F941 AromaticContact CZ-CG 3.88Å; F891-F941 HydrophobicContact CZ-CG 3.88Å; F891-F941 HydrophobicContact CZ-CZ 4.09Å | ||
| 892 | N | 89.6 | Confident | 82 | Confident | 108 Ų | 108 | 74.6 Ų | 74.6 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.9 | 176.2 | -67.5 | -49.7 | 0 | 0 | 0 | 110.2 | L900 T901 | N892-L900 WeakPolarHBondContact O-CA 3.43Å; N892-T901 PolarHBondContact N-O 3.11Å; N892-T901 PolarHBondContact O-N 3.01Å |
| 893 | F | 87.8 | Confident | 82 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 22% | 0.219 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.8 | 177.2 | -175.5 | -111 | 0 | 0 | 0 | 111.3 | L862 R864 A895 T899 L900 | L862-F893 HydrophobicContact CB-CE2 4.22Å; R864-F893 HydrophobicContact CB-CB 4.13Å; R864-F893 HydrophobicContact CB-CD1 4.08Å; R864-F893 HydrophobicContact CB-CG 4.14Å; R864-F893 HydrophobicContact CG-CB 4.05Å; F893-A895 HydrophobicContact CD1-CB 4.37Å; F893-A895 HydrophobicContact CE1-CB 3.92Å; F893-T899 WeakPolarHBondContact CA-O 3.46Å; F893-L900 HydrophobicContact CB-CD2 3.65Å; F893-L900 HydrophobicContact CD2-CD2 3.65Å; F893-L900 HydrophobicContact CD2-CG 4.1Å; F893-L900 HydrophobicContact CG-CD2 4.11Å |
| 894 | D | 86.5 | Confident | 82.4 | Confident | 51 Ų | 51 | 82.9 Ų | 82.9 | 27% | 0.273 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 109.4 | 168.5 | -175 | -29.2 | 0 | 0 | 0 | 108.6 | N896 K897 E898 T899 | D894-N896 VanDerWaalsContact C-N 3.31Å; D894-N896 PolarHBondContact O-N 3.25Å; D894-N896 WeakPolarHBondContact OD1-CA 3.23Å; D894-N896 WeakPolarHBondContact OD1-CB 3.26Å; D894-N896 PolarHBondContact OD1-N 2.77Å; D894-K897 HydrophobicContact CB-CB 4.13Å; D894-K897 PolarHBondContact OD1-N 3.34Å; D894-K897 VanDerWaalsContact OD2-CD 3.27Å; D894-K897 WeakPolarHBondContact OD2-CD 3.5Å; D894-K897 WeakPolarHBondContact OD2-CG 3.39Å; D894-E898 WeakPolarHBondContact O-CA 3.25Å; D894-E898 PolarHBondContact O-N 2.86Å; D894-T899 PolarHBondContact N-O 2.86Å; D894-T899 PolarHBondContact O-N 2.79Å |
| 895 | A | 77.2 | Confident | 83.2 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 40% | 0.397 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F893 | F893-A895 HydrophobicContact CD1-CB 4.37Å; F893-A895 HydrophobicContact CE1-CB 3.92Å |
| 896 | N | 77.5 | Confident | 84.6 | Confident | 150 Ų | 150 | 74.1 Ų | 74.1 | 80% | 0.802 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -41.8 | 179.9 | -67.3 | -25.2 | 0 | 0 | 0 | 110.5 | D894 | D894-N896 VanDerWaalsContact C-N 3.31Å; D894-N896 PolarHBondContact O-N 3.25Å; D894-N896 WeakPolarHBondContact OD1-CA 3.23Å; D894-N896 WeakPolarHBondContact OD1-CB 3.26Å; D894-N896 PolarHBondContact OD1-N 2.77Å |
| 897 | K | 80 | Confident | 85.9 | Confident | 136 Ų | 136 | 66.9 Ų | 66.9 | 59% | 0.591 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -17.1 | 177 | -61.4 | -177.7 | -171.9 | 172.7 | 0 | 112.9 | K712 D894 T899 | K712-K897 VanDerWaalsContact NZ-C 3.33Å; K712-K897 PolarHBondContact NZ-O 2.84Å; D894-K897 HydrophobicContact CB-CB 4.13Å; D894-K897 PolarHBondContact OD1-N 3.34Å; D894-K897 VanDerWaalsContact OD2-CD 3.27Å; D894-K897 WeakPolarHBondContact OD2-CD 3.5Å; D894-K897 WeakPolarHBondContact OD2-CG 3.39Å; K897-T899 VanDerWaalsContact C-N 3.3Å; K897-T899 HydrophobicContact CB-CG2 3.9Å |
| 898 | E | 81.4 | Confident | 87 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 48.3 | -170.9 | -56.9 | 172.1 | 144.7 | 0 | 0 | 111.6 | K712 L862 D894 | K712-E898 IonicContact NZ-OE2 3.31Å; K712-E898 PolarHBondContact NZ-OE2 3.09Å; L862-E898 WeakPolarHBondContact CD1-O 3.42Å; D894-E898 WeakPolarHBondContact O-CA 3.25Å; D894-E898 PolarHBondContact O-N 2.86Å |
| 899 | T | 89.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.5 | -177.3 | 55 | 0 | 0 | 0 | 0 | 111 | F893 D894 K897 V906 L907 Q908 | F893-T899 WeakPolarHBondContact CA-O 3.46Å; D894-T899 PolarHBondContact N-O 2.86Å; D894-T899 PolarHBondContact O-N 2.79Å; K897-T899 VanDerWaalsContact C-N 3.3Å; K897-T899 HydrophobicContact CB-CG2 3.9Å; T899-V906 HydrophobicContact CG2-CG1 4.16Å; T899-L907 VanDerWaalsContact CA-O 3.3Å; T899-L907 WeakPolarHBondContact CA-O 3.36Å; T899-L907 WeakPolarHBondContact CB-O 3.26Å; T899-Q908 HydrophobicContact CG2-CB 3.92Å |
| 900 | L | 92 | Very high | 88 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.2 | 167.1 | -72.9 | 173.3 | 0 | 0 | 0 | 109.1 | L862 I867 V882 F891 N892 F893 L907 | L862-L900 HydrophobicContact CD1-CG 4.46Å; L862-L900 HydrophobicContact CD2-CD1 3.89Å; L862-L900 HydrophobicContact CD2-CG 4.41Å; I867-L900 HydrophobicContact CD1-CD1 4.38Å; I867-L900 HydrophobicContact CG1-CD1 3.66Å; V882-L900 HydrophobicContact CG2-CD1 4.27Å; F891-L900 HydrophobicContact CB-CD2 4.07Å; F891-L900 HydrophobicContact CD1-CB 4.19Å; F891-L900 HydrophobicContact CD1-CD1 4.45Å; N892-L900 WeakPolarHBondContact O-CA 3.43Å; F893-L900 HydrophobicContact CB-CD2 3.65Å; F893-L900 HydrophobicContact CD2-CD2 3.65Å; F893-L900 HydrophobicContact CD2-CG 4.1Å; F893-L900 HydrophobicContact CG-CD2 4.11Å; L900-L907 HydrophobicContact CB-CB 4.46Å; L900-L907 PolarHBondContact N-O 2.71Å; L900-L907 PolarHBondContact O-N 3.38Å |
| 901 | T | 92.8 | Very high | 88.3 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 24% | 0.239 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.3 | -179.2 | -51.3 | 0 | 0 | 0 | 0 | 111.2 | N892 G903 I905 V906 | N892-T901 PolarHBondContact N-O 3.11Å; N892-T901 PolarHBondContact O-N 3.01Å; T901-G903 WeakPolarHBondContact CG2-O 3.42Å; T901-I905 WeakPolarHBondContact CA-O 3.5Å; T901-V906 HydrophobicContact CG2-CG2 3.96Å |
| 902 | V | 91.2 | Very high | 88.4 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 112 | 170.8 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | V889 F891 D904 I905 I938 | V889-V902 HydrophobicContact CG1-CG1 3.57Å; V889-V902 HydrophobicContact CG1-CG2 4.07Å; F891-V902 HydrophobicContact CB-CG2 4.1Å; F891-V902 HydrophobicContact CD1-CG2 3.26Å; F891-V902 HydrophobicContact CD2-CG2 3.86Å; F891-V902 HydrophobicContact CE1-CG2 3.48Å; F891-V902 VanDerWaalsContact CE1-CG2 3.48Å; F891-V902 HydrophobicContact CE2-CG2 4.05Å; F891-V902 HydrophobicContact CG-CG2 3.46Å; F891-V902 VanDerWaalsContact CG-CG2 3.46Å; F891-V902 HydrophobicContact CZ-CG2 3.87Å; V902-D904 PolarHBondContact O-N 2.96Å; V902-I905 PolarHBondContact N-O 3.45Å; V902-I905 PolarHBondContact O-N 3.27Å; V902-I938 HydrophobicContact CB-CG2 4.39Å; V902-I938 HydrophobicContact CG1-CG2 3.81Å |
| 903 | G | 88.3 | Confident | 88.7 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 69% | 0.691 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -123.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T901 | T901-G903 WeakPolarHBondContact CG2-O 3.42Š|
| 904 | D | 88.1 | Confident | 89.1 | Confident | 166 Ų | 166 | 53.5 Ų | 53.5 | 89% | 0.888 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -6 | 178 | -59.3 | -39.9 | 0 | 0 | 0 | 113.6 | V902 | V902-D904 PolarHBondContact O-N 2.96Š|
| 905 | I | 92.5 | Very high | 89.5 | Confident | 47 Ų | 47 | 51 Ų | 51 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120 | -179.1 | -60.7 | 170 | 0 | 0 | 0 | 108.8 | T901 V902 L907 P936 I938 | T901-I905 WeakPolarHBondContact CA-O 3.5Å; V902-I905 PolarHBondContact N-O 3.45Å; V902-I905 PolarHBondContact O-N 3.27Å; I905-L907 HydrophobicContact CG2-CD2 4.22Å; I905-L907 HydrophobicContact CG2-CG 4.48Å; I905-P936 HydrophobicContact CD1-CB 4.47Å; I905-P936 HydrophobicContact CG2-CB 4.27Å; I905-P936 HydrophobicContact CG2-CG 3.81Å; I905-I938 HydrophobicContact CD1-CG1 3.79Å |
| 906 | V | 93.1 | Very high | 90.4 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120 | 175.4 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | T899 T901 | T899-V906 HydrophobicContact CG2-CG1 4.16Å; T901-V906 HydrophobicContact CG2-CG2 3.96Å |
| 907 | L | 93.9 | Very high | 91.1 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.4 | 173.2 | -58.5 | 178.5 | 0 | 0 | 0 | 109.7 | I859 L862 I867 F891 T899 L900 I905 P936 | I859-L907 HydrophobicContact CD1-CB 3.94Å; I859-L907 HydrophobicContact CD1-CD1 4.47Å; I859-L907 HydrophobicContact CD1-CD2 4.21Å; I859-L907 HydrophobicContact CD1-CG 4.44Å; L862-L907 HydrophobicContact CD1-CB 4.4Å; L862-L907 WeakPolarHBondContact CD1-O 3.17Å; I867-L907 HydrophobicContact CD1-CD1 3.67Å; I867-L907 HydrophobicContact CG1-CD1 4.48Å; F891-L907 HydrophobicContact CE1-CD1 4.36Å; T899-L907 VanDerWaalsContact CA-O 3.3Å; T899-L907 WeakPolarHBondContact CA-O 3.36Å; T899-L907 WeakPolarHBondContact CB-O 3.26Å; L900-L907 HydrophobicContact CB-CB 4.46Å; L900-L907 PolarHBondContact N-O 2.71Å; L900-L907 PolarHBondContact O-N 3.38Å; I905-L907 HydrophobicContact CG2-CD2 4.22Å; I905-L907 HydrophobicContact CG2-CG 4.48Å; L907-P936 HydrophobicContact CD2-CG 3.79Å |
| 908 | Q | 91.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 36.9 Ų | 36.9 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | trans | -138.8 | 166.5 | 177.2 | 57.6 | 178 | -1.9 | 0 | 0 | 111.7 | T899 D911 | T899-Q908 HydrophobicContact CG2-CB 3.92Å; Q908-D911 VanDerWaalsContact CG-CG 3.42Å; Q908-D911 VanDerWaalsContact CG-OD1 3.24Å; Q908-D911 WeakPolarHBondContact CG-OD1 3.36Å; Q908-D911 WeakPolarHBondContact CG-OD2 3.5Å; Q908-D911 PolarHBondContact N-OD2 3.04Å; Q908-D911 PolarHBondContact NE2-OD1 2.96Å; Q908-D911 WeakPolarHBondContact O-CB 3.37Å; Q908-D911 PolarHBondContact O-N 3.1Å | ||
| 909 | M | 89.9 | Confident | 91.9 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 142.4 | 175.5 | -66.3 | 173 | 71.1 | 0 | 0 | 111.3 | A709 R713 M748 L860 F861 D911 | A709-M909 HydrophobicContact CB-CE 3.56Å; A709-M909 HydrophobicContact CB-SD 4.04Å; R713-M909 PolarHBondContact NE-O 2.68Å; R713-M909 PolarHBondContact NH2-O 2.78Å; M748-M909 HydrophobicContact CE-CE 3.57Å; M748-M909 HydrophobicContact SD-CE 4.39Å; L860-M909 WeakPolarHBondContact O-CE 3.3Å; F861-M909 HydrophobicContact CD1-CE 3.83Å; F861-M909 HydrophobicContact CE1-CE 3.95Å; M909-D911 VanDerWaalsContact C-N 3.27Å; M909-D911 PolarHBondContact O-N 3.47Å |
| 910 | F | 90.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 3.8 | -175.2 | -46 | -75.4 | 0 | 0 | 0 | 116.7 | A709 R713 F741 M744 L745 M748 I859 | A709-F910 HydrophobicContact CB-CE2 3.66Å; A709-F910 HydrophobicContact CB-CZ 4.03Å; R713-F910 HydrophobicContact CG-CD2 3.95Å; R713-F910 HydrophobicContact CG-CE2 4.49Å; F741-F910 HydrophobicContact CD2-CB 3.95Å; F741-F910 HydrophobicContact CD2-CD1 4.01Å; F741-F910 HydrophobicContact CD2-CD2 4.4Å; F741-F910 AromaticContact CD2-CG 3.89Å; F741-F910 HydrophobicContact CD2-CG 3.89Å; F741-F910 HydrophobicContact CE2-CB 4.08Å; F741-F910 AromaticContact CE2-CD1 3.97Å; F741-F910 HydrophobicContact CE2-CD1 3.97Å; F741-F910 AromaticContact CE2-CD2 3.72Å; F741-F910 HydrophobicContact CE2-CD2 3.72Å; F741-F910 HydrophobicContact CE2-CE1 4.34Å; F741-F910 HydrophobicContact CE2-CE2 4.05Å; F741-F910 AromaticContact CE2-CG 3.67Å; F741-F910 HydrophobicContact CE2-CG 3.67Å; F741-F910 HydrophobicContact CE2-CZ 4.37Å; M744-F910 HydrophobicContact CB-CD1 3.92Å; M744-F910 HydrophobicContact CB-CE1 4.01Å; M744-F910 HydrophobicContact CE-CB 4.4Å; M744-F910 HydrophobicContact CE-CD1 3.52Å; M744-F910 HydrophobicContact CE-CE1 4.27Å; M744-F910 HydrophobicContact CE-CG 4.39Å; M744-F910 HydrophobicContact SD-CD1 3.97Å; L745-F910 HydrophobicContact CD2-CE1 4.11Å; L745-F910 HydrophobicContact CD2-CE2 4.28Å; L745-F910 HydrophobicContact CD2-CZ 3.61Å; L745-F910 HydrophobicContact CG-CE1 4.49Å; L745-F910 HydrophobicContact CG-CZ 4.43Å; M748-F910 HydrophobicContact CE-CZ 4.32Å; M748-F910 HydrophobicContact SD-CE1 3.4Å; M748-F910 WeakPolarHBondContact SD-CE1 3.34Å; M748-F910 HydrophobicContact SD-CZ 3.38Å; M748-F910 WeakPolarHBondContact SD-CZ 3.47Å; I859-F910 WeakPolarHBondContact O-CA 2.98Å; I859-F910 PolarHBondContact O-N 3.34Å |
| 911 | D | 91.5 | Very high | 90.7 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | trans | -66.2 | 140.4 | 172 | -70.1 | -15.6 | 0 | 0 | 0 | 110.6 | R713 Y858 I859 Q908 M909 | R713-D911 IonicContact CZ-OD1 2.69Å; R713-D911 IonicContact NH2-OD1 3.32Å; R713-D911 PolarHBondContact NH2-OD1 2.99Å; Y858-D911 WeakPolarHBondContact CA-O 3.45Å; I859-D911 HydrophobicContact CD1-CB 4.18Å; I859-D911 PolarHBondContact N-O 2.65Å; Q908-D911 VanDerWaalsContact CG-CG 3.42Å; Q908-D911 VanDerWaalsContact CG-OD1 3.24Å; Q908-D911 WeakPolarHBondContact CG-OD1 3.36Å; Q908-D911 WeakPolarHBondContact CG-OD2 3.5Å; Q908-D911 PolarHBondContact N-OD2 3.04Å; Q908-D911 PolarHBondContact NE2-OD1 2.96Å; Q908-D911 WeakPolarHBondContact O-CB 3.37Å; Q908-D911 PolarHBondContact O-N 3.1Å; M909-D911 VanDerWaalsContact C-N 3.27Å; M909-D911 PolarHBondContact O-N 3.47Å | ||
| 912 | S | 92.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 137 | 168.8 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | G857 | G857-S912 WeakPolarHBondContact O-CA 3.41Å |
| 913 | V | 95.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 155.7 | 177.8 | -69.3 | 0 | 0 | 0 | 0 | 109 | G857 I859 V869 V915 L933 E935 | G857-V913 PolarHBondContact N-O 3.25Å; G857-V913 PolarHBondContact O-N 3.14Å; G857-V913 VanDerWaalsContact O-O 3.08Å; I859-V913 HydrophobicContact CD1-CG1 3.92Å; I859-V913 HydrophobicContact CG1-CG1 3.94Å; I859-V913 HydrophobicContact CG1-CG2 4.34Å; V869-V913 HydrophobicContact CG1-CG2 3.91Å; V869-V913 HydrophobicContact CG2-CG2 4.36Å; V913-V915 HydrophobicContact CB-CG1 4.49Å; V913-V915 HydrophobicContact CG2-CG1 3.91Å; V913-L933 HydrophobicContact CB-CD1 4.04Å; V913-L933 HydrophobicContact CG1-CD1 4.19Å; V913-E935 WeakPolarHBondContact CA-O 3.19Å; V913-E935 WeakPolarHBondContact CB-O 3.38Å |
| 914 | T | 96.5 | Very high | 87.1 | Confident | 35 Ų | 35 | 47.3 Ų | 47.3 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128 | 167.1 | -54 | 0 | 0 | 0 | 0 | 107.5 | D854 V934 E935 | D854-T914 HydrophobicContact CB-CG2 4.45Å; T914-V934 HydrophobicContact CG2-CB 3.97Å; T914-V934 HydrophobicContact CG2-CG1 4.22Å; T914-V934 HydrophobicContact CG2-CG2 4.45Å; T914-V934 WeakPolarHBondContact O-CA 3.49Å; T914-V934 WeakPolarHBondContact O-CB 3.48Å; T914-V934 PolarHBondContact O-N 2.87Å; T914-E935 PolarHBondContact N-O 3.36Å; T914-E935 PolarHBondContact O-N 3.45Å; T914-E935 PolarHBondContact OG1-OE2 3.07Å |
| 915 | V | 95.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.9 | -177.8 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | D854 L855 V869 I871 I880 V913 L931 Q932 L933 | D854-V915 WeakPolarHBondContact CA-O 3.34Å; L855-V915 PolarHBondContact N-O 2.83Å; L855-V915 PolarHBondContact O-N 3.19Å; V869-V915 HydrophobicContact CG1-CG1 4.13Å; V869-V915 HydrophobicContact CG1-CG2 4.36Å; V869-V915 HydrophobicContact CG2-CG1 4.41Å; I871-V915 HydrophobicContact CG1-CG2 4.44Å; I880-V915 HydrophobicContact CD1-CG1 3.87Å; V913-V915 HydrophobicContact CB-CG1 4.49Å; V913-V915 HydrophobicContact CG2-CG1 3.91Å; V915-L931 HydrophobicContact CB-CD2 4.11Å; V915-L931 HydrophobicContact CG2-CD1 4.46Å; V915-L931 HydrophobicContact CG2-CD2 3.84Å; V915-Q932 CarbonylContact C-O 3.59Å; V915-Q932 VanDerWaalsContact CA-O 3.28Å; V915-Q932 WeakPolarHBondContact CA-O 3.49Å; V915-L933 HydrophobicContact CG1-CD1 4.35Å |
| 916 | R | 95.5 | Very high | 84.5 | Confident | 21 Ų | 21 | 39.7 Ų | 39.7 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.9 | 170.5 | 179.3 | 165.1 | -66.4 | 155.5 | 14.2 | 109.2 | V852 E853 D854 L931 Q932 V934 V943 S944 | V852-R916 HydrophobicContact CG1-CG 3.6Å; E853-R916 WeakPolarHBondContact O-CA 3.44Å; D854-R916 WeakPolarHBondContact OD1-CA 3.33Å; D854-R916 VanDerWaalsContact OD1-CB 3.22Å; D854-R916 WeakPolarHBondContact OD1-CB 3.42Å; D854-R916 WeakPolarHBondContact OD1-CG 3.22Å; D854-R916 IonicContact OD1-CZ 3.01Å; D854-R916 IonicContact OD1-NE 3.97Å; D854-R916 PolarHBondContact OD1-NE 3.18Å; D854-R916 IonicContact OD1-NH2 2.8Å; D854-R916 PolarHBondContact OD1-NH2 3.4Å; D854-R916 IonicContact OD2-CZ 3.86Å; D854-R916 IonicContact OD2-NE 3.33Å; D854-R916 IonicContact OD2-NH2 3.77Å; D854-R916 PolarHBondContact OD2-NH2 3.1Å; R916-L931 WeakPolarHBondContact O-CA 3.31Å; R916-Q932 HydrophobicContact CB-CB 4.33Å; R916-Q932 PolarHBondContact N-O 3.13Å; R916-Q932 PolarHBondContact O-N 2.94Å; R916-V934 HydrophobicContact CB-CG2 3.88Å; R916-V943 HydrophobicContact CB-CG2 4.22Å; R916-S944 PolarHBondContact NH1-O 3.32Å; R916-S944 PolarHBondContact NH2-O 2.78Å |
| 917 | L | 93.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.6 | 173.4 | -177.9 | 60.4 | 0 | 0 | 0 | 110 | F848 V852 E853 L855 I871 Y874 L876 L929 L931 | F848-L917 HydrophobicContact CD1-CD2 4.31Å; F848-L917 HydrophobicContact CD1-CG 4.08Å; F848-L917 HydrophobicContact CD2-CD2 4.09Å; F848-L917 HydrophobicContact CE1-CB 4.13Å; F848-L917 HydrophobicContact CE1-CD2 3.74Å; F848-L917 HydrophobicContact CE1-CG 3.77Å; F848-L917 HydrophobicContact CE2-CD2 3.48Å; F848-L917 VanDerWaalsContact CE2-CD2 3.48Å; F848-L917 HydrophobicContact CE2-CG 4.28Å; F848-L917 HydrophobicContact CG-CD2 4.48Å; F848-L917 HydrophobicContact CG-CG 4.48Å; F848-L917 HydrophobicContact CZ-CB 4.43Å; F848-L917 HydrophobicContact CZ-CD2 3.3Å; F848-L917 HydrophobicContact CZ-CG 3.9Å; V852-L917 WeakPolarHBondContact CA-O 3.42Å; E853-L917 PolarHBondContact N-O 3.45Å; E853-L917 VanDerWaalsContact N-O 3.09Å; E853-L917 PolarHBondContact O-N 2.69Å; L855-L917 HydrophobicContact CD1-CB 3.99Å; L855-L917 HydrophobicContact CD1-CD2 4.08Å; I871-L917 HydrophobicContact CD1-CD1 4.27Å; I871-L917 HydrophobicContact CD1-CD2 3.83Å; I871-L917 HydrophobicContact CD1-CG 4.47Å; Y874-L917 HydrophobicContact CD2-CD2 4.23Å; L876-L917 HydrophobicContact CD2-CD1 4.09Å; L876-L917 HydrophobicContact CD2-CD2 4.27Å; L917-L929 HydrophobicContact CD1-CB 4.01Å; L917-L929 HydrophobicContact CD1-CD2 4.02Å; L917-L929 HydrophobicContact CD1-CG 4.48Å; L917-L931 HydrophobicContact CB-CD2 3.88Å; L917-L931 HydrophobicContact CD1-CD2 3.65Å; L917-L931 HydrophobicContact CD1-CG 4.35Å; L917-L931 HydrophobicContact CG-CD2 4.34Å |
| 918 | S | 91.5 | Very high | 82.6 | Confident | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 175.5 | 174.4 | 72.1 | 0 | 0 | 0 | 0 | 110.5 | L929 K930 | S918-L929 WeakPolarHBondContact O-CA 3.31Å; S918-K930 PolarHBondContact N-O 2.96Å; S918-K930 VanDerWaalsContact N-O 3.12Å; S918-K930 PolarHBondContact O-N 3.49Å |
| 919 | I | 86.2 | Confident | 82.3 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133 | 165.8 | -59.6 | -178.5 | 0 | 0 | 0 | 109.1 | H845 F848 K849 E921 N927 R928 L929 | H845-I919 WeakPolarHBondContact O-CD1 3.35Å; F848-I919 VanDerWaalsContact C-CD1 3.44Å; F848-I919 HydrophobicContact CB-CD1 4.01Å; F848-I919 HydrophobicContact CB-CG1 3.85Å; K849-I919 HydrophobicContact CB-CD1 4.42Å; I919-E921 HydrophobicContact CB-CG 4.38Å; I919-E921 HydrophobicContact CG2-CG 3.79Å; I919-N927 HydrophobicContact CG2-CB 3.88Å; I919-R928 CarbonylContact C-O 3.56Å; I919-R928 WeakPolarHBondContact CA-O 3.35Å; I919-L929 HydrophobicContact CG1-CD2 4.27Å |
| 920 | D | 81.5 | Confident | 82.2 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 107.9 | 163.1 | -164.5 | -19.2 | 0 | 0 | 0 | 108.7 | S922 N927 R928 K930 | D920-S922 WeakPolarHBondContact OD1-CB 3.43Å; D920-S922 PolarHBondContact OD1-N 2.88Å; D920-S922 PolarHBondContact OD1-OG 3.12Å; D920-N927 WeakPolarHBondContact O-CA 3.42Å; D920-R928 PolarHBondContact N-O 3.09Å; D920-R928 PolarHBondContact O-N 3.45Å; D920-K930 HydrophobicContact CB-CB 4.06Å; D920-K930 HydrophobicContact CB-CD 4.14Å |
| 921 | E | 74.3 | Confident | 82.3 | Confident | 106 Ų | 106 | 42 Ų | 42 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | trans | -97.4 | 12.1 | 177.9 | -59.2 | -178.4 | 165.5 | 0 | 0 | 111.8 | I919 D923 | I919-E921 HydrophobicContact CB-CG 4.38Å; I919-E921 HydrophobicContact CG2-CG 3.79Å; E921-D923 PolarHBondContact O-N 3.29Å | ||
| 922 | S | 68.7 | Low | 82.4 | Confident | 101 Ų | 101 | 43.3 Ų | 43.3 | 71% | 0.706 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -64 | -24.5 | -179.7 | 60 | 0 | 0 | 0 | 0 | 113.8 | D920 | D920-S922 WeakPolarHBondContact OD1-CB 3.43Å; D920-S922 PolarHBondContact OD1-N 2.88Å; D920-S922 PolarHBondContact OD1-OG 3.12Å |
| 923 | D | 66 | Low | 82.6 | Confident | 54 Ų | 54 | 40 Ų | 40 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -119.9 | 99.7 | 168.6 | -177.7 | -7.1 | 0 | 0 | 0 | 107.9 | E921 Q925 H926 N927 | E921-D923 PolarHBondContact O-N 3.29Å; D923-Q925 PolarHBondContact O-N 2.81Å; D923-Q925 VanDerWaalsContact O-N 3.12Å; D923-Q925 WeakPolarHBondContact OD1-CB 3.27Å; D923-Q925 PolarHBondContact OD1-N 3.13Å; D923-Q925 VanDerWaalsContact OD1-N 3.12Å; D923-H926 HydrophobicContact CB-CB 4.29Å; D923-H926 CarbonylContact O-C 3.52Å; D923-H926 WeakPolarHBondContact O-CA 2.96Å; D923-H926 PolarHBondContact O-N 2.95Å; D923-H926 PolarHBondContact OD1-N 3.32Å; D923-H926 IonicContact OD1-ND1 3.37Å; D923-H926 IonicContact OD2-CE1 3.7Å; D923-H926 IonicContact OD2-CG 3.38Å; D923-H926 IonicContact OD2-ND1 2.84Å; D923-H926 PolarHBondContact OD2-ND1 3.47Å; D923-N927 PolarHBondContact O-N 3.16Å |
| 924 | P | 60.8 | Low | 82.5 | Confident | 91 Ų | 91 | 39.9 Ų | 39.9 | 59% | 0.591 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -58.3 | -27.8 | -177.8 | -20.6 | 29.7 | 0 | 0 | 0 | 112.9 | H926 | P924-H926 VanDerWaalsContact C-N 3.3Š|
| 925 | Q | 61 | Low | 82.4 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -75.1 | -25 | 177.4 | -58.2 | -172.5 | -11.4 | 0 | 0 | 111 | M364 L365 D399 D923 | M364-Q925 HydrophobicContact CE-CB 3.96Å; M364-Q925 WeakPolarHBondContact CE-O 3.21Å; M364-Q925 HydrophobicContact SD-CB 3.9Å; L365-Q925 PolarHBondContact O-NE2 2.78Å; L365-Q925 VanDerWaalsContact O-NE2 3.08Å; L365-Q925 PolarHBondContact O-OE1 3.37Å; D399-Q925 PolarHBondContact OD1-NE2 2.81Å; D923-Q925 PolarHBondContact O-N 2.81Å; D923-Q925 VanDerWaalsContact O-N 3.12Å; D923-Q925 WeakPolarHBondContact OD1-CB 3.27Å; D923-Q925 PolarHBondContact OD1-N 3.13Å; D923-Q925 VanDerWaalsContact OD1-N 3.12Å |
| 926 | H | 65.4 | Low | 82.3 | Confident | 38 Ų | 38 | 45 Ų | 45 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -131.8 | 60.7 | -177.6 | -54.7 | 91.4 | 0 | 0 | 0 | 112 | M364 V378 D923 P924 R928 | M364-H926 VanDerWaalsContact CE-NE2 3.25Å; M364-H926 WeakPolarHBondContact CE-NE2 3.45Å; V378-H926 WeakPolarHBondContact CG1-NE2 3.37Å; D923-H926 HydrophobicContact CB-CB 4.29Å; D923-H926 CarbonylContact O-C 3.52Å; D923-H926 WeakPolarHBondContact O-CA 2.96Å; D923-H926 PolarHBondContact O-N 2.95Å; D923-H926 PolarHBondContact OD1-N 3.32Å; D923-H926 IonicContact OD1-ND1 3.37Å; D923-H926 IonicContact OD2-CE1 3.7Å; D923-H926 IonicContact OD2-CG 3.38Å; D923-H926 IonicContact OD2-ND1 2.84Å; D923-H926 PolarHBondContact OD2-ND1 3.47Å; P924-H926 VanDerWaalsContact C-N 3.3Å; H926-R928 WeakPolarHBondContact O-CG 3.4Å; H926-R928 PolarHBondContact O-N 3.13Å; H926-R928 PolarHBondContact O-NE 3.33Å |
| 927 | N | 70.3 | Confident | 82 | Confident | 71 Ų | 71 | 49.5 Ų | 49.5 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | trans | -54.9 | 125.6 | 168 | -70.7 | -18.7 | 0 | 0 | 0 | 109.8 | I919 D920 D923 | I919-N927 HydrophobicContact CG2-CB 3.88Å; D920-N927 WeakPolarHBondContact O-CA 3.42Å; D923-N927 PolarHBondContact O-N 3.16Å | ||
| 928 | R | 77.4 | Confident | 81.9 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145 | -175.9 | -71.9 | 163.9 | -144.5 | -171 | 0.1 | 111 | E316 I919 D920 H926 K930 | E316-R928 VanDerWaalsContact C-NH1 3.28Å; E316-R928 VanDerWaalsContact CG-NH1 3.25Å; E316-R928 VanDerWaalsContact O-CZ 3.25Å; E316-R928 PolarHBondContact O-NH1 3.4Å; E316-R928 PolarHBondContact O-NH2 3Å; E316-R928 VanDerWaalsContact OE2-CD 3.22Å; E316-R928 WeakPolarHBondContact OE2-CD 3.26Å; E316-R928 IonicContact OE2-CZ 3.92Å; E316-R928 IonicContact OE2-NE 2.82Å; E316-R928 PolarHBondContact OE2-NE 3.37Å; E316-R928 IonicContact OE2-NH1 2.81Å; E316-R928 PolarHBondContact OE2-NH1 2.8Å; E316-R928 IonicContact OE2-NH2 3.2Å; I919-R928 CarbonylContact C-O 3.56Å; I919-R928 WeakPolarHBondContact CA-O 3.35Å; D920-R928 PolarHBondContact N-O 3.09Å; D920-R928 PolarHBondContact O-N 3.45Å; H926-R928 WeakPolarHBondContact O-CG 3.4Å; H926-R928 PolarHBondContact O-N 3.13Å; H926-R928 PolarHBondContact O-NE 3.33Å; R928-K930 PolarHBondContact O-N 3.3Å |
| 929 | L | 84.6 | Confident | 81.6 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 121.9 | 164.5 | -66.5 | 167.9 | 0 | 0 | 0 | 109.6 | L841 T844 H845 F848 L876 L917 S918 I919 | L841-L929 HydrophobicContact CD1-CD1 4.07Å; T844-L929 HydrophobicContact CG2-CD1 3.86Å; H845-L929 PolarHBondContact NE2-N 2.91Å; F848-L929 HydrophobicContact CB-CD2 4.04Å; F848-L929 HydrophobicContact CD2-CD2 4.28Å; F848-L929 HydrophobicContact CG-CD2 4.23Å; L876-L929 HydrophobicContact CD1-CD1 3.59Å; L876-L929 HydrophobicContact CD2-CB 4.29Å; L876-L929 HydrophobicContact CD2-CD1 3.59Å; L876-L929 HydrophobicContact CD2-CG 4.47Å; L876-L929 HydrophobicContact CG-CD1 4.23Å; L917-L929 HydrophobicContact CD1-CB 4.01Å; L917-L929 HydrophobicContact CD1-CD2 4.02Å; L917-L929 HydrophobicContact CD1-CG 4.48Å; S918-L929 WeakPolarHBondContact O-CA 3.31Å; I919-L929 HydrophobicContact CG1-CD2 4.27Å |
| 930 | K | 88.9 | Confident | 81.6 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.8 | 178.4 | 179.8 | 176.5 | 179.6 | 175.8 | 0 | 109.3 | S918 D920 R928 Q932 | S918-K930 PolarHBondContact N-O 2.96Å; S918-K930 VanDerWaalsContact N-O 3.12Å; S918-K930 PolarHBondContact O-N 3.49Å; D920-K930 HydrophobicContact CB-CB 4.06Å; D920-K930 HydrophobicContact CB-CD 4.14Å; R928-K930 PolarHBondContact O-N 3.3Å; K930-Q932 HydrophobicContact CG-CG 4.32Å |
| 931 | L | 92.4 | Very high | 82 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.4 | 169.2 | -74 | -173.5 | 0 | 0 | 0 | 110.8 | V869 I871 A878 I880 V915 R916 L917 | V869-L931 HydrophobicContact CB-CD1 3.96Å; V869-L931 HydrophobicContact CG1-CD1 4.48Å; I871-L931 HydrophobicContact CD1-CD1 4.04Å; I871-L931 HydrophobicContact CD1-CD2 3.7Å; I871-L931 HydrophobicContact CD1-CG 4.33Å; I871-L931 HydrophobicContact CG1-CD1 4.4Å; A878-L931 HydrophobicContact CB-CD1 3.61Å; A878-L931 HydrophobicContact CB-CG 3.89Å; I880-L931 HydrophobicContact CD1-CB 4.29Å; I880-L931 HydrophobicContact CG1-CB 3.62Å; V915-L931 HydrophobicContact CB-CD2 4.11Å; V915-L931 HydrophobicContact CG2-CD1 4.46Å; V915-L931 HydrophobicContact CG2-CD2 3.84Å; R916-L931 WeakPolarHBondContact O-CA 3.31Å; L917-L931 HydrophobicContact CB-CD2 3.88Å; L917-L931 HydrophobicContact CD1-CD2 3.65Å; L917-L931 HydrophobicContact CD1-CG 4.35Å; L917-L931 HydrophobicContact CG-CD2 4.34Å |
| 932 | Q | 93.8 | Very high | 82.8 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.8 | 168.9 | -58.2 | 179.8 | -79.3 | 0 | 0 | 109 | V915 R916 K930 V943 | V915-Q932 CarbonylContact C-O 3.59Å; V915-Q932 VanDerWaalsContact CA-O 3.28Å; V915-Q932 WeakPolarHBondContact CA-O 3.49Å; R916-Q932 HydrophobicContact CB-CB 4.33Å; R916-Q932 PolarHBondContact N-O 3.13Å; R916-Q932 PolarHBondContact O-N 2.94Å; K930-Q932 HydrophobicContact CG-CG 4.32Å; Q932-V943 HydrophobicContact CB-CG1 4.12Å; Q932-V943 HydrophobicContact CB-CG2 4Å |
| 933 | L | 95.1 | Very high | 83.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130 | 178.2 | -170.5 | 65.6 | 0 | 0 | 0 | 109.2 | I880 V913 V915 E935 I938 F941 S942 V943 | I880-L933 HydrophobicContact CD1-CB 4.21Å; I880-L933 HydrophobicContact CD1-CD1 4.38Å; V913-L933 HydrophobicContact CB-CD1 4.04Å; V913-L933 HydrophobicContact CG1-CD1 4.19Å; V915-L933 HydrophobicContact CG1-CD1 4.35Å; L933-E935 WeakPolarHBondContact CD1-O 3.48Å; L933-I938 HydrophobicContact CD2-CD1 3.75Å; L933-I938 HydrophobicContact CD2-CG1 4.33Å; L933-F941 HydrophobicContact CB-CD1 4.29Å; L933-F941 HydrophobicContact CB-CE1 3.88Å; L933-F941 HydrophobicContact CD2-CD1 4.21Å; L933-F941 HydrophobicContact CD2-CE1 4.08Å; L933-S942 CarbonylContact O-C 3.58Å; L933-S942 WeakPolarHBondContact O-CA 3.23Å; L933-S942 WeakPolarHBondContact O-CB 3.38Å; L933-V943 PolarHBondContact O-N 3.2Å |
| 934 | V | 94.8 | Very high | 84.9 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -55.3 | 172.7 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | T914 R916 V943 P945 | T914-V934 HydrophobicContact CG2-CB 3.97Å; T914-V934 HydrophobicContact CG2-CG1 4.22Å; T914-V934 HydrophobicContact CG2-CG2 4.45Å; T914-V934 WeakPolarHBondContact O-CA 3.49Å; T914-V934 WeakPolarHBondContact O-CB 3.48Å; T914-V934 PolarHBondContact O-N 2.87Å; R916-V934 HydrophobicContact CB-CG2 3.88Å; V934-V943 WeakPolarHBondContact CA-O 3.39Å; V934-V943 HydrophobicContact CG2-CG2 3.87Å; V934-P945 HydrophobicContact CG1-CB 4.04Å; V934-P945 HydrophobicContact CG1-CG 3.68Å |
| 935 | E | 93.7 | Very high | 86.3 | Confident | 102 Ų | 102 | 46.2 Ų | 46.2 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.4 | 177 | -61.1 | -179.1 | 144.8 | 0 | 0 | 111.5 | V913 T914 L933 | V913-E935 WeakPolarHBondContact CA-O 3.19Å; V913-E935 WeakPolarHBondContact CB-O 3.38Å; T914-E935 PolarHBondContact N-O 3.36Å; T914-E935 PolarHBondContact O-N 3.45Å; T914-E935 PolarHBondContact OG1-OE2 3.07Å; L933-E935 WeakPolarHBondContact CD1-O 3.48Å |
| 936 | P | 92.6 | Very high | 87.5 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | S | Bend | cis | -68.8 | 148.7 | 3 | 28.7 | -35.5 | 0 | 0 | 0 | 113.1 | I905 L907 I938 S942 | I905-P936 HydrophobicContact CD1-CB 4.47Å; I905-P936 HydrophobicContact CG2-CB 4.27Å; I905-P936 HydrophobicContact CG2-CG 3.81Å; L907-P936 HydrophobicContact CD2-CG 3.79Å; P936-I938 PolarHBondContact O-N 3.08Å; P936-S942 PolarHBondContact O-OG 2.7Å |
| 937 | N | 90.3 | Very high | 88.3 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 61% | 0.61 | 30% | 0.302 | S | S | * | . | trans | -72.9 | 108.6 | 178.6 | -177.8 | 7.7 | 0 | 0 | 0 | 109.9 | ||||
| 938 | I | 91.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | trans | -105.4 | 108 | 175 | -58.5 | 176.9 | 0 | 0 | 0 | 107 | V889 F891 V902 I905 L933 P936 G940 F941 S942 | V889-I938 HydrophobicContact CG1-CG2 4.09Å; F891-I938 HydrophobicContact CE1-CD1 3.77Å; F891-I938 HydrophobicContact CZ-CD1 3.8Å; V902-I938 HydrophobicContact CB-CG2 4.39Å; V902-I938 HydrophobicContact CG1-CG2 3.81Å; I905-I938 HydrophobicContact CD1-CG1 3.79Å; L933-I938 HydrophobicContact CD2-CD1 3.75Å; L933-I938 HydrophobicContact CD2-CG1 4.33Å; P936-I938 PolarHBondContact O-N 3.08Å; I938-G940 PolarHBondContact O-N 3.34Å; I938-F941 HydrophobicContact CB-CB 4.2Å; I938-F941 HydrophobicContact CD1-CD1 4.45Å; I938-F941 HydrophobicContact CG2-CB 3.97Å; I938-F941 PolarHBondContact O-N 3.29Å; I938-S942 PolarHBondContact N-OG 3.38Å; I938-S942 PolarHBondContact O-N 2.71Å | ||
| 939 | P | 85.1 | Confident | 88.6 | Confident | 104 Ų | 104 | 56 Ų | 56 | 68% | 0.675 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 129.8 | -178.8 | -27.5 | 35.1 | 0 | 0 | 0 | 112.4 | V889 F941 | V889-P939 WeakPolarHBondContact CG2-O 3.2Å; P939-F941 VanDerWaalsContact C-N 3.3Å; P939-F941 PolarHBondContact O-N 3.46Å |
| 940 | G | 84.9 | Confident | 87.5 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 58% | 0.577 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 2.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I938 | I938-G940 PolarHBondContact O-N 3.34Š|
| 941 | F | 90 | Very high | 86.1 | Confident | 55 Ų | 55 | 62.9 Ų | 62.9 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | -49.2 | 177.9 | -177.5 | -95.9 | 0 | 0 | 0 | 113.4 | I880 V882 V889 F891 L933 I938 P939 | I880-F941 HydrophobicContact CG2-CE1 4.24Å; I880-F941 HydrophobicContact CG2-CZ 3.74Å; V882-F941 HydrophobicContact CG1-CE1 4.45Å; V882-F941 HydrophobicContact CG1-CE2 4.04Å; V882-F941 HydrophobicContact CG1-CZ 3.66Å; V889-F941 HydrophobicContact CB-CB 4.3Å; V889-F941 HydrophobicContact CG2-CB 4.03Å; F891-F941 HydrophobicContact CE2-CD1 4.2Å; F891-F941 AromaticContact CE2-CD2 3.84Å; F891-F941 HydrophobicContact CE2-CD2 3.84Å; F891-F941 HydrophobicContact CE2-CE1 4.34Å; F891-F941 AromaticContact CE2-CE2 3.99Å; F891-F941 HydrophobicContact CE2-CE2 3.99Å; F891-F941 AromaticContact CE2-CG 3.95Å; F891-F941 HydrophobicContact CE2-CG 3.95Å; F891-F941 HydrophobicContact CE2-CZ 4.24Å; F891-F941 AromaticContact CZ-CD1 3.69Å; F891-F941 HydrophobicContact CZ-CD1 3.69Å; F891-F941 HydrophobicContact CZ-CD2 4.17Å; F891-F941 AromaticContact CZ-CE1 3.79Å; F891-F941 HydrophobicContact CZ-CE1 3.79Å; F891-F941 HydrophobicContact CZ-CE2 4.27Å; F891-F941 AromaticContact CZ-CG 3.88Å; F891-F941 HydrophobicContact CZ-CG 3.88Å; F891-F941 HydrophobicContact CZ-CZ 4.09Å; L933-F941 HydrophobicContact CB-CD1 4.29Å; L933-F941 HydrophobicContact CB-CE1 3.88Å; L933-F941 HydrophobicContact CD2-CD1 4.21Å; L933-F941 HydrophobicContact CD2-CE1 4.08Å; I938-F941 HydrophobicContact CB-CB 4.2Å; I938-F941 HydrophobicContact CD1-CD1 4.45Å; I938-F941 HydrophobicContact CG2-CB 3.97Å; I938-F941 PolarHBondContact O-N 3.29Å; P939-F941 VanDerWaalsContact C-N 3.3Å; P939-F941 PolarHBondContact O-N 3.46Å |
| 942 | S | 90.9 | Very high | 84.6 | Confident | 19 Ų | 19 | 70 Ų | 70 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -73.9 | 146.5 | 179.4 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L933 P936 I938 | L933-S942 CarbonylContact O-C 3.58Å; L933-S942 WeakPolarHBondContact O-CA 3.23Å; L933-S942 WeakPolarHBondContact O-CB 3.38Å; P936-S942 PolarHBondContact O-OG 2.7Å; I938-S942 PolarHBondContact N-OG 3.38Å; I938-S942 PolarHBondContact O-N 2.71Å |
| 943 | V | 91.2 | Very high | 83 | Confident | 29 Ų | 29 | 72.3 Ų | 72.3 | 18% | 0.176 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 145.2 | 173.1 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | R916 Q932 L933 V934 | R916-V943 HydrophobicContact CB-CG2 4.22Å; Q932-V943 HydrophobicContact CB-CG1 4.12Å; Q932-V943 HydrophobicContact CB-CG2 4Å; L933-V943 PolarHBondContact O-N 3.2Å; V934-V943 WeakPolarHBondContact CA-O 3.39Å; V934-V943 HydrophobicContact CG2-CG2 3.87Å |
| 944 | S | 89.5 | Confident | 81.2 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 141.8 | 175.6 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | R916 | R916-S944 PolarHBondContact NH1-O 3.32Å; R916-S944 PolarHBondContact NH2-O 2.78Å |
| 945 | P | 89.1 | Confident | 79.3 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 21% | 0.214 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 146.1 | 175.5 | -25 | 32.7 | 0 | 0 | 0 | 112.9 | D854 V934 L947 D948 L949 | D854-P945 WeakPolarHBondContact OD2-CA 3.49Å; V934-P945 HydrophobicContact CG1-CB 4.04Å; V934-P945 HydrophobicContact CG1-CG 3.68Å; P945-L947 PolarHBondContact O-N 2.65Å; P945-D948 HydrophobicContact CB-CB 4.47Å; P945-D948 WeakPolarHBondContact CD-OD2 3.28Å; P945-D948 VanDerWaalsContact CG-OD2 3.32Å; P945-D948 WeakPolarHBondContact CG-OD2 3.47Å; P945-D948 PolarHBondContact O-N 2.97Å; P945-L949 PolarHBondContact O-N 3.34Å |
| 946 | L | 86.2 | Confident | 77.4 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 17% | 0.173 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -59.2 | -33.5 | -179.9 | -77 | 173.6 | 0 | 0 | 0 | 111.7 | V852 D854 D948 L949 P955 | V852-L946 HydrophobicContact CG1-CD1 4.26Å; V852-L946 HydrophobicContact CG1-CD2 4.24Å; D854-L946 HydrophobicContact CB-CD1 4.4Å; D854-L946 PolarHBondContact OD2-N 2.99Å; L946-D948 PolarHBondContact O-N 2.98Å; L946-L949 HydrophobicContact CD2-CD1 3.94Å; L946-L949 PolarHBondContact O-N 3.45Å; L946-P955 HydrophobicContact CD2-CG 4.3Å |
| 947 | L | 81.4 | Confident | 75 | Confident | 173 Ų | 173 | 81.5 Ų | 81.5 | 91% | 0.906 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -67.5 | -20.2 | 177.9 | -67.6 | 168.5 | 0 | 0 | 0 | 113.3 | P945 | P945-L947 PolarHBondContact O-N 2.65Š|
| 948 | D | 78.8 | Confident | 72.4 | Confident | 117 Ų | 117 | 85.6 Ų | 85.6 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -98.1 | -5.7 | -178.9 | -62.9 | -24.2 | 0 | 0 | 0 | 112.4 | P945 L946 | P945-D948 HydrophobicContact CB-CB 4.47Å; P945-D948 WeakPolarHBondContact CD-OD2 3.28Å; P945-D948 VanDerWaalsContact CG-OD2 3.32Å; P945-D948 WeakPolarHBondContact CG-OD2 3.47Å; P945-D948 PolarHBondContact O-N 2.97Å; L946-D948 PolarHBondContact O-N 2.98Å |
| 949 | L | 75.2 | Confident | 69.5 | Low | 43 Ų | 43 | 90 Ų | 90 | 23% | 0.225 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -78.7 | 137.3 | 178.4 | -68.3 | 174.6 | 0 | 0 | 0 | 110.7 | P945 L946 D953 L954 | P945-L949 PolarHBondContact O-N 3.34Å; L946-L949 HydrophobicContact CD2-CD1 3.94Å; L946-L949 PolarHBondContact O-N 3.45Å; L949-D953 HydrophobicContact CB-CB 4.46Å; L949-D953 HydrophobicContact CD2-CB 4.49Å; L949-L954 HydrophobicContact CB-CD2 4.26Å |
| 950 | P | 61.5 | Low | 67.1 | Low | 72 Ų | 72 | 90.3 Ų | 90.3 | 47% | 0.468 | 51% | 0.508 | S | S | . | . | trans | -53.3 | 148.3 | 166.1 | -22.3 | 31 | 0 | 0 | 0 | 111.3 | D952 D953 L954 | P950-D952 PolarHBondContact O-N 3.13Å; P950-D952 VanDerWaalsContact O-N 3.12Å; P950-D953 HydrophobicContact CB-CB 4.43Å; P950-D953 HydrophobicContact CG-CB 4.48Å; P950-D953 PolarHBondContact O-N 3.13Å; P950-L954 PolarHBondContact O-N 3.26Å | ||
| 951 | E | 61.3 | Low | 64.6 | Low | 177 Ų | 177 | 93.4 Ų | 93.4 | 83% | 0.827 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -53.9 | -35.1 | 178.3 | -79.8 | -175.6 | 161.1 | 0 | 0 | 112.6 | D953 L954 | E951-D953 VanDerWaalsContact C-N 3.29Å; E951-D953 PolarHBondContact O-N 2.84Å; E951-L954 HydrophobicContact CG-CD1 4.44Å; E951-L954 PolarHBondContact O-N 3.32Å |
| 952 | D | 61 | Low | 61.9 | Low | 161 Ų | 161 | 95.4 Ų | 95.4 | 86% | 0.861 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -69 | -23.6 | 177.9 | -64.4 | -34.3 | 0 | 0 | 0 | 113.7 | P950 | P950-D952 PolarHBondContact O-N 3.13Å; P950-D952 VanDerWaalsContact O-N 3.12Å |
| 953 | D | 59.2 | Low | 59.5 | Low | 108 Ų | 108 | 100.9 Ų | 100.9 | 58% | 0.578 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -97.7 | -3.5 | 179.5 | -75.1 | -28.6 | 0 | 0 | 0 | 112.5 | L949 P950 E951 | L949-D953 HydrophobicContact CB-CB 4.46Å; L949-D953 HydrophobicContact CD2-CB 4.49Å; P950-D953 HydrophobicContact CB-CB 4.43Å; P950-D953 HydrophobicContact CG-CB 4.48Å; P950-D953 PolarHBondContact O-N 3.13Å; E951-D953 VanDerWaalsContact C-N 3.29Å; E951-D953 PolarHBondContact O-N 2.84Å |
| 954 | L | 57 | Low | 56.9 | Low | 64 Ų | 64 | 104 Ų | 104 | 34% | 0.335 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -64.7 | 125.9 | 173.2 | -73.6 | 170.1 | 0 | 0 | 0 | 108.5 | L949 P950 E951 S956 | L949-L954 HydrophobicContact CB-CD2 4.26Å; P950-L954 PolarHBondContact O-N 3.26Å; E951-L954 HydrophobicContact CG-CD1 4.44Å; E951-L954 PolarHBondContact O-N 3.32Å; L954-S956 PolarHBondContact O-N 2.97Å; L954-S956 VanDerWaalsContact O-N 3.12Å |
| 955 | P | 55.9 | Low | 54.4 | Low | 54 Ų | 54 | 111.4 Ų | 111.4 | 35% | 0.351 | 64% | 0.639 | S | S | . | * | trans | -55.5 | 126 | 176.5 | 21.2 | -30.2 | 0 | 0 | 0 | 108.2 | V852 L946 I957 | V852-P955 HydrophobicContact CB-CG 3.96Å; V852-P955 HydrophobicContact CG1-CG 4.23Å; V852-P955 HydrophobicContact CG2-CB 4.05Å; V852-P955 HydrophobicContact CG2-CG 3.78Å; L946-P955 HydrophobicContact CD2-CG 4.3Å; P955-I957 WeakPolarHBondContact O-CG1 3.36Å; P955-I957 PolarHBondContact O-N 2.87Å | ||
| 956 | S | 52.2 | Low | 52.7 | Low | 98 Ų | 98 | 115.3 Ų | 115.3 | 69% | 0.685 | 66% | 0.661 | S | S | * | * | trans | -49.4 | 99.5 | -170.3 | 61 | 0 | 0 | 0 | 0 | 111 | L954 R958 | L954-S956 PolarHBondContact O-N 2.97Å; L954-S956 VanDerWaalsContact O-N 3.12Å; S956-R958 VanDerWaalsContact C-N 3.25Å; S956-R958 PolarHBondContact O-N 2.96Å | ||
| 957 | I | 43.1 | Very low | 50.9 | Low | 126 Ų | 126 | 119.6 Ų | 119.6 | 65% | 0.646 | 69% | 0.686 | S | S | * | * | trans | -72.3 | 92.4 | 172.6 | -57 | 174.3 | 0 | 0 | 0 | 104.2 | P955 S959 | P955-I957 WeakPolarHBondContact O-CG1 3.36Å; P955-I957 PolarHBondContact O-N 2.87Å; I957-S959 VanDerWaalsContact C-N 3.27Å; I957-S959 PolarHBondContact O-N 3.38Å | ||
| 958 | R | 36.8 | Very low | 49.2 | Very low | 199 Ų | 199 | 116.7 Ų | 116.7 | 75% | 0.751 | 67% | 0.674 | S | S | * | * | trans | -64.3 | 98.3 | 168.3 | -76.9 | -173.8 | 179.1 | -175.8 | 1.4 | 106.2 | S956 | S956-R958 VanDerWaalsContact C-N 3.25Å; S956-R958 PolarHBondContact O-N 2.96Å | ||
| 959 | S | 30.3 | Very low | 47.5 | Very low | 96 Ų | 96 | 116.6 Ų | 116.6 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 137 | 164.1 | -42.9 | 0 | 0 | 0 | 0 | 107.8 | I957 | I957-S959 VanDerWaalsContact C-N 3.27Å; I957-S959 PolarHBondContact O-N 3.38Å |
| 960 | P | 33.2 | Very low | 45.8 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 142.1 | 175.2 | -15.2 | 26.3 | 0 | 0 | 0 | 108.7 | A962 | P960-A962 PolarHBondContact O-N 3.09Š|
| 961 | P | 33.4 | Very low | 44.7 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 120.6 | -178.3 | 22.6 | -31.6 | 0 | 0 | 0 | 108.5 | V963 | P961-V963 PolarHBondContact O-N 3.2Š|
| 962 | A | 33.8 | Very low | 43.5 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 117.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | P960 A964 | P960-A962 PolarHBondContact O-N 3.09Å; A962-A964 PolarHBondContact O-N 3.09Å |
| 963 | V | 39.4 | Very low | 42.2 | Very low | 134 Ų | 134 | 117.7 Ų | 117.7 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -56.5 | 106.2 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 106.3 | P961 N965 | P961-V963 PolarHBondContact O-N 3.2Å; V963-N965 PolarHBondContact O-N 2.58Å | ||
| 964 | A | 36.9 | Very low | 40.8 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | trans | -69.2 | 112.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | A962 | A962-A964 PolarHBondContact O-N 3.09Š| ||
| 965 | N | 37.5 | Very low | 39.3 | Very low | 230 Ų | 230 | 123.5 Ų | 123.5 | 100% | 1.23 | 75% | 0.747 | S | S | * | * | trans | -49.8 | 0 | 171.7 | -76.7 | -29.4 | 0 | 0 | 0 | 112.4 | V963 | V963-N965 PolarHBondContact O-N 2.58Š|
Retrieved 965 of 965 residues in 2083.5 ms
(Link to these results)