| 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 | 44.3 | Very low | 71.2 | Confident | 208 Ų | 208 | 89.6 Ų | 89.6 | 100% | 1.025 | 50% | 0.5 | S | S | * | . | 0 | 137.3 | 0 | -72.5 | -162.7 | -111.1 | 0 | 0 | 107.7 | I3 | M1-I3 PolarHBondContact O-N 2.78Š| |||
| 2 | S | 41.3 | Very low | 71.8 | Confident | 120 Ų | 120 | 92.3 Ų | 92.3 | 84% | 0.839 | 51% | 0.512 | S | S | * | . | trans | -55.8 | 122.3 | 169 | 164.3 | 0 | 0 | 0 | 0 | 107.7 | S4 | S2-S4 PolarHBondContact O-N 2.96Š| ||
| 3 | I | 48.9 | Very low | 72.5 | Confident | 149 Ų | 149 | 86.6 Ų | 86.6 | 76% | 0.764 | 48% | 0.482 | S | S | * | . | trans | -77.2 | 96 | -178.5 | -58.3 | 172.5 | 0 | 0 | 0 | 106.4 | M1 N5 | M1-I3 PolarHBondContact O-N 2.78Å; I3-N5 PolarHBondContact O-N 2.7Å | ||
| 4 | S | 64.1 | Low | 73.2 | Confident | 39 Ų | 39 | 87.4 Ų | 87.4 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 129.2 | 162.9 | 52.9 | 0 | 0 | 0 | 0 | 108.2 | S2 | S2-S4 PolarHBondContact O-N 2.96Š|
| 5 | N | 79.1 | Confident | 74.1 | Confident | 140 Ų | 140 | 84.9 Ų | 84.9 | 75% | 0.749 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 131.1 | 176.3 | -78.1 | -28.5 | 0 | 0 | 0 | 109.9 | I3 R7 P150 | I3-N5 PolarHBondContact O-N 2.7Å; N5-R7 PolarHBondContact O-N 2.72Å; N5-P150 VanDerWaalsContact O-CD 3.3Å; N5-P150 WeakPolarHBondContact O-CD 3.48Å |
| 6 | P | 85.2 | Confident | 75.1 | Confident | 50 Ų | 50 | 86.3 Ų | 86.3 | 33% | 0.325 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 137.9 | 175.1 | 24.4 | -32.5 | 0 | 0 | 0 | 110.3 | Q8 V9 A147 V148 L149 | P6-Q8 VanDerWaalsContact C-N 3.28Å; P6-V9 HydrophobicContact CB-CG2 3.46Å; P6-V9 VanDerWaalsContact CB-CG2 3.46Å; P6-V9 HydrophobicContact CG-CG2 3.22Å; P6-A147 HydrophobicContact CB-CB 4.04Å; P6-V148 CarbonylContact C-O 3.59Å; P6-V148 WeakPolarHBondContact CA-O 3.14Å; P6-L149 HydrophobicContact CB-CD2 3.75Å |
| 7 | R | 87.7 | Confident | 75.7 | Confident | 92 Ų | 92 | 81.8 Ų | 81.8 | 35% | 0.347 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -76.8 | -21.3 | 174.2 | 73.9 | 170.6 | 177.2 | 94.3 | -13.1 | 112.5 | N5 L22 G24 E29 V148 | N5-R7 PolarHBondContact O-N 2.72Å; R7-L22 PolarHBondContact NH1-O 3.42Å; R7-G24 PolarHBondContact NH2-O 3.24Å; R7-E29 WeakPolarHBondContact CD-OE1 3.19Å; R7-E29 IonicContact CZ-OE1 3.87Å; R7-E29 IonicContact CZ-OE2 3.72Å; R7-E29 IonicContact NE-OE1 3.35Å; R7-E29 PolarHBondContact NE-OE1 2.8Å; R7-E29 IonicContact NE-OE2 3.99Å; R7-E29 IonicContact NH2-OE1 3.85Å; R7-E29 PolarHBondContact NH2-OE1 3.35Å; R7-E29 IonicContact NH2-OE2 3.19Å; R7-E29 PolarHBondContact NH2-OE2 3.1Å; R7-V148 HydrophobicContact CG-CB 4.2Å; R7-V148 HydrophobicContact CG-CG1 4.21Å; R7-V148 PolarHBondContact N-O 2.57Å |
| 8 | Q | 83.3 | Confident | 76.3 | Confident | 18 Ų | 18 | 78.4 Ų | 78.4 | 8% | 0.084 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 134.9 | 178.7 | -172.3 | 169.5 | -1.7 | 0 | 0 | 109.7 | P6 F10 T20 A147 V148 | P6-Q8 VanDerWaalsContact C-N 3.28Å; Q8-F10 HydrophobicContact CG-CE2 4.15Å; Q8-F10 HydrophobicContact CG-CZ 4.27Å; Q8-T20 PolarHBondContact NE2-O 3.33Å; Q8-A147 CarbonylContact O-C 3.57Å; Q8-A147 WeakPolarHBondContact O-CA 3.18Å; Q8-V148 HydrophobicContact CB-CB 4.33Å; Q8-V148 HydrophobicContact CB-CG2 4.39Å; Q8-V148 PolarHBondContact O-N 3.47Å |
| 9 | V | 84.6 | Confident | 76.5 | Confident | 66 Ų | 66 | 74.3 Ų | 74.3 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.8 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | P6 V146 A147 | P6-V9 HydrophobicContact CB-CG2 3.46Å; P6-V9 VanDerWaalsContact CB-CG2 3.46Å; P6-V9 HydrophobicContact CG-CG2 3.22Å; V9-V146 CarbonylContact C-O 3.51Å; V9-V146 WeakPolarHBondContact CA-O 3.39Å; V9-A147 HydrophobicContact CG2-CB 4.16Å |
| 10 | F | 79.7 | Confident | 76.8 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.8 | 166.8 | -53 | -85.7 | 0 | 0 | 0 | 108.4 | Q8 F17 A145 V146 | Q8-F10 HydrophobicContact CG-CE2 4.15Å; Q8-F10 HydrophobicContact CG-CZ 4.27Å; F10-F17 HydrophobicContact CB-CE2 4.34Å; F10-F17 HydrophobicContact CB-CZ 3.86Å; F10-F17 HydrophobicContact CD1-CE2 4.04Å; F10-F17 AromaticContact CD1-CZ 3.61Å; F10-F17 HydrophobicContact CD1-CZ 3.61Å; F10-F17 HydrophobicContact CD2-CE1 4.28Å; F10-F17 AromaticContact CD2-CZ 3.79Å; F10-F17 HydrophobicContact CD2-CZ 3.79Å; F10-F17 HydrophobicContact CE1-CE2 4.49Å; F10-F17 AromaticContact CE1-CZ 3.93Å; F10-F17 HydrophobicContact CE1-CZ 3.93Å; F10-F17 HydrophobicContact CE2-CZ 4.1Å; F10-F17 HydrophobicContact CG-CE1 4.34Å; F10-F17 HydrophobicContact CG-CE2 4.21Å; F10-F17 AromaticContact CG-CZ 3.49Å; F10-F17 HydrophobicContact CG-CZ 3.49Å; F10-F17 VanDerWaalsContact CG-CZ 3.49Å; F10-F17 HydrophobicContact CZ-CZ 4.12Å; F10-A145 WeakPolarHBondContact O-CA 3.06Å; F10-V146 HydrophobicContact CB-CB 4.25Å; F10-V146 HydrophobicContact CD2-CB 4.01Å; F10-V146 HydrophobicContact CD2-CG1 4.13Å; F10-V146 PolarHBondContact N-O 3.14Å; F10-V146 PolarHBondContact O-N 2.85Å |
| 11 | S | 85.3 | Confident | 77 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 63% | 0.629 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.2 | -178.5 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | P13 | S11-P13 VanDerWaalsContact C-CD 3.49Å |
| 12 | N | 78 | Confident | 78.4 | Confident | 122 Ų | 122 | 59.3 Ų | 59.3 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 45.4 | 51.2 | 178.9 | -54 | -60 | 0 | 0 | 0 | 114.2 | Q144 | N12-Q144 PolarHBondContact N-O 2.76Å; N12-Q144 PolarHBondContact OD1-O 2.78Å |
| 13 | P | 80.9 | Confident | 80 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | trans | -64.4 | 140.2 | 179.7 | 28.1 | -34.6 | 0 | 0 | 0 | 111.6 | S11 F17 V143 V146 | S11-P13 VanDerWaalsContact C-CD 3.49Å; P13-F17 HydrophobicContact CB-CB 4.16Å; P13-F17 HydrophobicContact CB-CD1 4.39Å; P13-F17 HydrophobicContact CB-CD2 3.31Å; P13-F17 HydrophobicContact CB-CE2 3.71Å; P13-F17 HydrophobicContact CB-CG 3.7Å; P13-F17 HydrophobicContact CB-CZ 4.4Å; P13-F17 HydrophobicContact CG-CD2 4.28Å; P13-F17 HydrophobicContact CG-CG 4.27Å; P13-V143 WeakPolarHBondContact CD-O 3.32Å; P13-V143 HydrophobicContact CG-CB 4.02Å; P13-V143 HydrophobicContact CG-CG1 3.68Å; P13-V146 HydrophobicContact CG-CG2 4.46Å | ||
| 14 | S | 81.9 | Confident | 81.5 | Confident | 98 Ų | 98 | 50.2 Ų | 50.2 | 69% | 0.685 | 31% | 0.31 | S | S | * | . | trans | -68.1 | 145.6 | 168.8 | 52.3 | 0 | 0 | 0 | 0 | 111 | P16 F17 | S14-P16 CarbonylContact O-C 3.5Å; S14-P16 VanDerWaalsContact O-C 3.27Å; S14-F17 WeakPolarHBondContact O-CA 3.36Å; S14-F17 WeakPolarHBondContact O-CB 3.18Å; S14-F17 PolarHBondContact O-N 3.34Å | ||
| 15 | I | 87.5 | Confident | 82.6 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -105.5 | 129 | 178.3 | -56.8 | -55.7 | 0 | 0 | 0 | 109.2 | F17 I137 V141 V143 | I15-F17 HydrophobicContact CD1-CB 3.85Å; I15-I137 HydrophobicContact CD1-CB 4.13Å; I15-I137 HydrophobicContact CD1-CG2 3.94Å; I15-V141 HydrophobicContact CG1-CG1 4.35Å; I15-V141 HydrophobicContact CG2-CG1 4.32Å; I15-V143 HydrophobicContact CD1-CB 4.25Å; I15-V143 HydrophobicContact CD1-CG2 3.84Å; I15-V143 HydrophobicContact CG1-CG2 4.46Å |
| 16 | P | 89.9 | Confident | 83.1 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 69% | 0.688 | 28% | 0.283 | S | S | * | . | S | Bend | cis | -70.8 | 139.3 | 4.9 | 31 | -35.7 | 0 | 0 | 0 | 113.1 | S14 I137 | S14-P16 CarbonylContact O-C 3.5Å; S14-P16 VanDerWaalsContact O-C 3.27Å; P16-I137 CarbonylContact C-O 3.58Å; P16-I137 VanDerWaalsContact CA-O 3.31Å; P16-I137 WeakPolarHBondContact CA-O 3.47Å |
| 17 | F | 84.7 | Confident | 83.4 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.3 | 178.6 | 173.4 | -115.4 | 0 | 0 | 0 | 110.1 | F10 P13 S14 I15 I135 L136 I137 V146 | F10-F17 HydrophobicContact CB-CE2 4.34Å; F10-F17 HydrophobicContact CB-CZ 3.86Å; F10-F17 HydrophobicContact CD1-CE2 4.04Å; F10-F17 AromaticContact CD1-CZ 3.61Å; F10-F17 HydrophobicContact CD1-CZ 3.61Å; F10-F17 HydrophobicContact CD2-CE1 4.28Å; F10-F17 AromaticContact CD2-CZ 3.79Å; F10-F17 HydrophobicContact CD2-CZ 3.79Å; F10-F17 HydrophobicContact CE1-CE2 4.49Å; F10-F17 AromaticContact CE1-CZ 3.93Å; F10-F17 HydrophobicContact CE1-CZ 3.93Å; F10-F17 HydrophobicContact CE2-CZ 4.1Å; F10-F17 HydrophobicContact CG-CE1 4.34Å; F10-F17 HydrophobicContact CG-CE2 4.21Å; F10-F17 AromaticContact CG-CZ 3.49Å; F10-F17 HydrophobicContact CG-CZ 3.49Å; F10-F17 VanDerWaalsContact CG-CZ 3.49Å; F10-F17 HydrophobicContact CZ-CZ 4.12Å; P13-F17 HydrophobicContact CB-CB 4.16Å; P13-F17 HydrophobicContact CB-CD1 4.39Å; P13-F17 HydrophobicContact CB-CD2 3.31Å; P13-F17 HydrophobicContact CB-CE2 3.71Å; P13-F17 HydrophobicContact CB-CG 3.7Å; P13-F17 HydrophobicContact CB-CZ 4.4Å; P13-F17 HydrophobicContact CG-CD2 4.28Å; P13-F17 HydrophobicContact CG-CG 4.27Å; S14-F17 WeakPolarHBondContact O-CA 3.36Å; S14-F17 WeakPolarHBondContact O-CB 3.18Å; S14-F17 PolarHBondContact O-N 3.34Å; I15-F17 HydrophobicContact CD1-CB 3.85Å; F17-I135 HydrophobicContact CE1-CG2 3.88Å; F17-L136 CarbonylContact O-C 3.56Å; F17-L136 VanDerWaalsContact O-CA 3.25Å; F17-L136 WeakPolarHBondContact O-CA 3.38Å; F17-I137 HydrophobicContact CB-CB 4.25Å; F17-I137 HydrophobicContact CD1-CD1 4.12Å; F17-I137 HydrophobicContact CD1-CG1 4.18Å; F17-I137 PolarHBondContact N-O 3.35Å; F17-I137 PolarHBondContact O-N 3.19Å; F17-V146 HydrophobicContact CE1-CG2 4.27Å |
| 18 | A | 86.4 | Confident | 83.7 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | I135 L136 K200 | A18-I135 WeakPolarHBondContact CA-O 3.41Å; A18-L136 HydrophobicContact CB-CD2 3.33Å; A18-K200 PolarHBondContact O-NZ 3.02Å |
| 19 | G | 80.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 122.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I21 T134 I135 | G19-I21 PolarHBondContact O-N 2.85Å; G19-T134 WeakPolarHBondContact O-CA 3.32Å; G19-I135 PolarHBondContact N-O 2.87Å; G19-I135 WeakPolarHBondContact O-CG2 3.43Å; G19-I135 PolarHBondContact O-N 2.67Å |
| 20 | T | 82.9 | Confident | 84.7 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129.4 | 167.9 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | Q8 L22 D133 E264 I266 | Q8-T20 PolarHBondContact NE2-O 3.33Å; T20-L22 HydrophobicContact CG2-CD2 4.49Å; T20-D133 CarbonylContact C-O 3.51Å; T20-D133 WeakPolarHBondContact CA-O 3.17Å; T20-E264 WeakPolarHBondContact CB-OE1 3.27Å; T20-E264 PolarHBondContact N-OE1 3.35Å; T20-E264 PolarHBondContact OG1-OE1 2.86Å; T20-I266 HydrophobicContact CG2-CD1 3.74Å; T20-I266 WeakPolarHBondContact OG1-CD1 3.32Å |
| 21 | I | 81.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | trans | -84.9 | 105 | 170.3 | -56.4 | 172.8 | 0 | 0 | 0 | 107.2 | G19 G23 G24 L25 F48 D133 I135 V148 | G19-I21 PolarHBondContact O-N 2.85Å; I21-G23 PolarHBondContact O-N 3.43Å; I21-G23 VanDerWaalsContact O-N 3.13Å; I21-G24 WeakPolarHBondContact CG2-O 3.49Å; I21-G24 PolarHBondContact O-N 2.83Å; I21-L25 HydrophobicContact CD1-CD1 4.03Å; I21-L25 HydrophobicContact CD1-CD2 3.71Å; I21-L25 HydrophobicContact CD1-CG 3.61Å; I21-L25 HydrophobicContact CG2-CD2 4.07Å; I21-L25 HydrophobicContact CG2-CG 4.34Å; I21-F48 HydrophobicContact CD1-CD1 4.46Å; I21-D133 PolarHBondContact N-O 2.79Å; I21-I135 HydrophobicContact CD1-CB 4.27Å; I21-I135 HydrophobicContact CG1-CG2 4.34Å; I21-V148 HydrophobicContact CG2-CG2 4.3Å | ||
| 22 | L | 72.6 | Confident | 86.2 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 116.3 | -171 | -66.1 | 176.5 | 0 | 0 | 0 | 110.9 | R7 T20 I266 | R7-L22 PolarHBondContact NH1-O 3.42Å; T20-L22 HydrophobicContact CG2-CD2 4.49Å; L22-I266 HydrophobicContact CD2-CD1 4.01Å; L22-I266 HydrophobicContact CD2-CG2 4.04Å |
| 23 | G | 75.3 | Confident | 87.2 | Confident | 67 Ų | 67 | 35 Ų | 35 | 69% | 0.691 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 10.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | I21 | I21-G23 PolarHBondContact O-N 3.43Å; I21-G23 VanDerWaalsContact O-N 3.13Å |
| 24 | G | 80.8 | Confident | 88 | Confident | 11 Ų | 11 | 38 Ų | 38 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | trans | 77.5 | 175.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | R7 I21 V132 | R7-G24 PolarHBondContact NH2-O 3.24Å; I21-G24 WeakPolarHBondContact CG2-O 3.49Å; I21-G24 PolarHBondContact O-N 2.83Å; G24-V132 VanDerWaalsContact CA-O 3.31Å; G24-V132 WeakPolarHBondContact CA-O 3.23Å | ||
| 25 | L | 87.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | trans | -80.9 | 130.6 | 168.2 | -77.2 | 176.5 | 0 | 0 | 0 | 110.5 | I21 V31 F48 V106 Y111 L129 V132 | I21-L25 HydrophobicContact CD1-CD1 4.03Å; I21-L25 HydrophobicContact CD1-CD2 3.71Å; I21-L25 HydrophobicContact CD1-CG 3.61Å; I21-L25 HydrophobicContact CG2-CD2 4.07Å; I21-L25 HydrophobicContact CG2-CG 4.34Å; L25-V31 HydrophobicContact CD2-CG2 3.68Å; L25-F48 HydrophobicContact CD1-CD1 3.99Å; L25-F48 HydrophobicContact CD1-CD2 3.85Å; L25-F48 HydrophobicContact CD1-CE1 4.1Å; L25-F48 HydrophobicContact CD1-CE2 3.95Å; L25-F48 HydrophobicContact CD1-CG 3.89Å; L25-F48 HydrophobicContact CD1-CZ 4.1Å; L25-V106 HydrophobicContact CD1-CG2 4.21Å; L25-V106 HydrophobicContact CD2-CG2 4.21Å; L25-Y111 HydrophobicContact CD1-CE1 4.48Å; L25-L129 HydrophobicContact CB-CD1 3.92Å; L25-V132 HydrophobicContact CD1-CB 4.46Å; L25-V132 HydrophobicContact CD1-CG1 3.61Å; L25-V132 HydrophobicContact CG-CG1 4.23Å; L25-V132 PolarHBondContact N-O 2.9Å | ||
| 26 | L | 88.3 | Confident | 89.2 | Confident | 84 Ų | 84 | 32 Ų | 32 | 44% | 0.44 | 20% | 0.195 | S | C | . | . | trans | -106.5 | 151.2 | 177.5 | -56.5 | 174.7 | 0 | 0 | 0 | 111.2 | E29 | L26-E29 HydrophobicContact CB-CG 3.92Å; L26-E29 PolarHBondContact N-OE2 3.48Å; L26-E29 WeakPolarHBondContact O-CB 3.43Å; L26-E29 WeakPolarHBondContact O-CG 3.45Å; L26-E29 PolarHBondContact O-N 2.98Å | ||
| 27 | P | 93 | Very high | 89.6 | Confident | 46 Ų | 46 | 27 Ų | 27 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 144.9 | 170.1 | -24.7 | 34.1 | 0 | 0 | 0 | 111.9 | E29 K108 L129 | P27-E29 PolarHBondContact O-N 3.33Å; P27-K108 HydrophobicContact CB-CG 3.85Å; P27-K108 HydrophobicContact CG-CG 4.1Å; P27-L129 HydrophobicContact CG-CD2 3.98Å |
| 28 | E | 92.4 | Very high | 90.2 | Very high | 97 Ų | 97 | 27.8 Ų | 27.8 | 45% | 0.453 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -0.4 | -178 | -52.8 | 176.1 | -176.3 | 0 | 0 | 115.3 | V106 P151 | E28-V106 WeakPolarHBondContact CA-O 3.45Å; E28-V106 PolarHBondContact N-O 3.04Å; E28-P151 HydrophobicContact CB-CB 3.82Å; E28-P151 HydrophobicContact CB-CG 3.85Å |
| 29 | E | 93.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | trans | -73.8 | 153.5 | 169.3 | -64.3 | -167.9 | 138.9 | 0 | 0 | 112 | R7 L26 P27 V106 V148 L149 | R7-E29 WeakPolarHBondContact CD-OE1 3.19Å; R7-E29 IonicContact CZ-OE1 3.87Å; R7-E29 IonicContact CZ-OE2 3.72Å; R7-E29 IonicContact NE-OE1 3.35Å; R7-E29 PolarHBondContact NE-OE1 2.8Å; R7-E29 IonicContact NE-OE2 3.99Å; R7-E29 IonicContact NH2-OE1 3.85Å; R7-E29 PolarHBondContact NH2-OE1 3.35Å; R7-E29 IonicContact NH2-OE2 3.19Å; R7-E29 PolarHBondContact NH2-OE2 3.1Å; L26-E29 HydrophobicContact CB-CG 3.92Å; L26-E29 PolarHBondContact N-OE2 3.48Å; L26-E29 WeakPolarHBondContact O-CB 3.43Å; L26-E29 WeakPolarHBondContact O-CG 3.45Å; L26-E29 PolarHBondContact O-N 2.98Å; P27-E29 PolarHBondContact O-N 3.33Å; E29-V106 PolarHBondContact O-N 2.98Å; E29-V148 HydrophobicContact CB-CG1 4.48Å; E29-L149 WeakPolarHBondContact CA-O 3.47Å; E29-L149 WeakPolarHBondContact CB-O 3.27Å | ||
| 30 | M | 96.7 | Very high | 91.1 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.5 | 170.6 | -58.7 | -179.5 | -172.6 | 0 | 0 | 110.5 | I103 I104 L105 V148 L149 | M30-I103 HydrophobicContact CB-CG2 4.25Å; M30-I103 HydrophobicContact CG-CG2 4.4Å; M30-I103 HydrophobicContact SD-CG2 4.09Å; M30-I104 CarbonylContact C-O 3.51Å; M30-I104 WeakPolarHBondContact CA-O 3.38Å; M30-L105 HydrophobicContact CE-CD1 4.07Å; M30-L105 HydrophobicContact CG-CB 4.36Å; M30-L105 HydrophobicContact CG-CD1 3.81Å; M30-V148 CarbonylContact O-C 3.58Å; M30-V148 WeakPolarHBondContact O-CA 3.26Å; M30-L149 HydrophobicContact CB-CB 4.2Å; M30-L149 HydrophobicContact CB-CD1 4.31Å; M30-L149 PolarHBondContact N-O 3.23Å; M30-L149 PolarHBondContact O-N 3.24Å |
| 31 | V | 97.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.9 | 165.3 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | L25 I33 F48 I103 I104 I135 V146 A147 | L25-V31 HydrophobicContact CD2-CG2 3.68Å; V31-I33 HydrophobicContact CG1-CD1 4.42Å; V31-I33 HydrophobicContact CG1-CG1 4.2Å; V31-F48 HydrophobicContact CB-CE1 4.39Å; V31-F48 HydrophobicContact CB-CZ 3.88Å; V31-F48 HydrophobicContact CG1-CE1 4.22Å; V31-F48 HydrophobicContact CG1-CZ 4.15Å; V31-F48 HydrophobicContact CG2-CE1 4.02Å; V31-F48 HydrophobicContact CG2-CZ 3.63Å; V31-I103 WeakPolarHBondContact O-CA 3.41Å; V31-I104 HydrophobicContact CB-CB 4.5Å; V31-I104 PolarHBondContact N-O 2.77Å; V31-I104 PolarHBondContact O-N 3.18Å; V31-I135 HydrophobicContact CG1-CD1 4.14Å; V31-V146 HydrophobicContact CG1-CG1 4.21Å; V31-A147 CarbonylContact C-O 3.45Å; V31-A147 WeakPolarHBondContact CA-O 3.49Å |
| 32 | L | 97.7 | Very high | 92.2 | Very high | 27 Ų | 27 | 37.7 Ų | 37.7 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.3 | 174.7 | 172.3 | 68.2 | 0 | 0 | 0 | 109.2 | Q34 E101 L102 I103 V146 A147 L149 | L32-Q34 HydrophobicContact CD1-CG 4.16Å; L32-Q34 HydrophobicContact CG-CG 4.28Å; L32-E101 HydrophobicContact CD1-CG 3.45Å; L32-E101 VanDerWaalsContact CD1-CG 3.45Å; L32-L102 CarbonylContact C-O 3.47Å; L32-L102 WeakPolarHBondContact CA-O 3.5Å; L32-I103 HydrophobicContact CD1-CD1 4.39Å; L32-I103 HydrophobicContact CD1-CG1 3.79Å; L32-V146 CarbonylContact O-C 3.53Å; L32-V146 VanDerWaalsContact O-CA 3.31Å; L32-V146 WeakPolarHBondContact O-CA 3.46Å; L32-A147 HydrophobicContact CB-CB 4.33Å; L32-A147 PolarHBondContact N-O 3.32Å; L32-A147 PolarHBondContact O-N 2.78Å; L32-L149 HydrophobicContact CB-CD1 4.23Å |
| 33 | I | 98.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 116.3 | 174.4 | -56.2 | 166.5 | 0 | 0 | 0 | 107.7 | V31 V46 F100 L102 I135 I137 V143 A145 V146 | V31-I33 HydrophobicContact CG1-CD1 4.42Å; V31-I33 HydrophobicContact CG1-CG1 4.2Å; I33-V46 HydrophobicContact CD1-CB 4.42Å; I33-V46 HydrophobicContact CD1-CG1 3.61Å; I33-V46 HydrophobicContact CD1-CG2 3.95Å; I33-F100 HydrophobicContact CG2-CE2 4.12Å; I33-L102 HydrophobicContact CB-CB 4.21Å; I33-L102 HydrophobicContact CB-CD2 4.49Å; I33-L102 HydrophobicContact CD1-CD2 3.96Å; I33-L102 PolarHBondContact N-O 2.85Å; I33-L102 PolarHBondContact O-N 2.76Å; I33-I135 HydrophobicContact CD1-CD1 3.93Å; I33-I137 HydrophobicContact CD1-CD1 4.32Å; I33-I137 HydrophobicContact CG2-CD1 4.34Å; I33-V143 HydrophobicContact CG2-CG1 4.16Å; I33-A145 WeakPolarHBondContact CA-O 3.4Å; I33-V146 HydrophobicContact CG1-CG1 4.28Å; I33-V146 HydrophobicContact CG1-CG2 4.33Å; I33-V146 HydrophobicContact CG2-CG2 4.43Å |
| 34 | Q | 98 | Very high | 94.6 | Very high | 79 Ų | 79 | 37.3 Ų | 37.3 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.7 | 173.7 | -69 | -179.5 | -30.7 | 0 | 0 | 108.4 | L32 E101 Q144 A145 | L32-Q34 HydrophobicContact CD1-CG 4.16Å; L32-Q34 HydrophobicContact CG-CG 4.28Å; Q34-E101 HydrophobicContact CG-CG 4.44Å; Q34-E101 PolarHBondContact NE2-OE2 3.3Å; Q34-Q144 VanDerWaalsContact C-OE1 3.27Å; Q34-Q144 PolarHBondContact O-N 3.26Å; Q34-Q144 PolarHBondContact O-OE1 2.86Å; Q34-Q144 VanDerWaalsContact O-OE1 3.14Å; Q34-A145 HydrophobicContact CB-CB 4.41Å; Q34-A145 PolarHBondContact N-O 2.9Å; Q34-A145 PolarHBondContact O-N 3.19Å |
| 35 | G | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 176 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A99 F100 E142 Q144 | G35-A99 CarbonylContact O-C 3.57Å; G35-A99 VanDerWaalsContact O-CA 3.31Å; G35-A99 WeakPolarHBondContact O-CA 3.34Å; G35-F100 VanDerWaalsContact C-CE1 3.5Å; G35-F100 PolarHBondContact N-O 3.33Å; G35-F100 PolarHBondContact O-N 3.48Å; G35-E142 CarbonylContact C-O 3.59Å; G35-E142 WeakPolarHBondContact CA-O 3.34Å; G35-Q144 VanDerWaalsContact N-OE1 3.09Å |
| 36 | S | 98 | Very high | 96 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 147.3 | 164.5 | 35.1 | 0 | 0 | 0 | 0 | 110 | P38 G98 E142 Q144 | S36-P38 WeakPolarHBondContact O-CD 3.38Å; S36-G98 WeakPolarHBondContact CA-O 3.4Å; S36-E142 PolarHBondContact N-O 3.13Å; S36-E142 PolarHBondContact O-N 3.22Å; S36-E142 WeakPolarHBondContact OG-CB 3.34Å; S36-E142 PolarHBondContact OG-OE2 3.14Å; S36-Q144 PolarHBondContact OG-NE2 2.94Å; S36-Q144 VanDerWaalsContact OG-NE2 3.08Å |
| 37 | V | 98.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | trans | -93.8 | 112 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | A41 F44 L68 L94 K95 V96 G97 G98 F100 | V37-A41 HydrophobicContact CG1-CB 3.61Å; V37-F44 HydrophobicContact CG2-CE1 4.04Å; V37-L68 HydrophobicContact CG1-CD2 3.38Å; V37-L68 HydrophobicContact CG1-CG 4.33Å; V37-L94 HydrophobicContact CG2-CB 4.42Å; V37-K95 WeakPolarHBondContact CB-O 3.47Å; V37-V96 HydrophobicContact CG1-CG2 4.33Å; V37-G97 WeakPolarHBondContact O-CA 3.45Å; V37-G97 PolarHBondContact O-N 2.78Å; V37-G98 PolarHBondContact N-O 3.28Å; V37-F100 HydrophobicContact CG2-CD1 3.93Å; V37-F100 HydrophobicContact CG2-CE1 4.09Å | ||
| 38 | P | 96.8 | Very high | 96.7 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | trans | -61 | 154.8 | -179.6 | -25.7 | 35.7 | 0 | 0 | 0 | 113.2 | S36 G40 A41 T140 E142 | S36-P38 WeakPolarHBondContact O-CD 3.38Å; P38-G40 PolarHBondContact O-N 2.83Å; P38-A41 VanDerWaalsContact O-CB 3.25Å; P38-A41 WeakPolarHBondContact O-CB 3.36Å; P38-A41 PolarHBondContact O-N 3.45Å; P38-T140 HydrophobicContact CB-CG2 4.2Å; P38-T140 HydrophobicContact CG-CG2 4.17Å; P38-E142 HydrophobicContact CG-CG 3.99Å | ||
| 39 | S | 94.4 | Very high | 96.9 | Very high | 106 Ų | 106 | 27.5 Ų | 27.5 | 74% | 0.741 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 131.6 | 171 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | A41 | S39-A41 VanDerWaalsContact C-N 3.34Š|
| 40 | G | 90.1 | Very high | 96.8 | Very high | 62 Ų | 62 | 28.2 Ų | 28.2 | 64% | 0.639 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 1.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P38 D42 | P38-G40 PolarHBondContact O-N 2.83Å; G40-D42 PolarHBondContact O-N 2.92Å |
| 41 | A | 94.5 | Very high | 96 | Very high | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | trans | -56.3 | 130.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V37 P38 S39 L68 T140 | V37-A41 HydrophobicContact CG1-CB 3.61Å; P38-A41 VanDerWaalsContact O-CB 3.25Å; P38-A41 WeakPolarHBondContact O-CB 3.36Å; P38-A41 PolarHBondContact O-N 3.45Å; S39-A41 VanDerWaalsContact C-N 3.34Å; A41-L68 HydrophobicContact CB-CD2 3.57Å; A41-T140 HydrophobicContact CB-CG2 3.7Å | ||
| 42 | D | 94.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 26.5 Ų | 26.5 | 36% | 0.364 | 16% | 0.161 | S | C | . | . | trans | -91.9 | -53.5 | 173.4 | 179.9 | 29.9 | 0 | 0 | 0 | 111.5 | G40 R67 L68 K69 | G40-D42 PolarHBondContact O-N 2.92Å; D42-R67 CarbonylContact O-C 3.58Å; D42-L68 WeakPolarHBondContact O-CB 3.44Å; D42-L68 PolarHBondContact O-N 3.2Å; D42-K69 HydrophobicContact CB-CD 4.17Å; D42-K69 HydrophobicContact CB-CG 4.5Å; D42-K69 WeakPolarHBondContact OD1-CB 3.45Å; D42-K69 WeakPolarHBondContact OD1-CD 3.42Å; D42-K69 WeakPolarHBondContact OD1-CG 3.27Å | ||
| 43 | R | 98.1 | Very high | 94.2 | Very high | 88 Ų | 88 | 27.4 Ų | 27.4 | 33% | 0.332 | 17% | 0.17 | S | C | . | . | B | Isolated β-bridge | trans | -152.9 | 155.6 | 178.9 | 61.5 | 176.4 | -77.5 | 179.3 | -1.9 | 111.6 | N65 P66 R67 T140 | R43-N65 VanDerWaalsContact CZ-OD1 3.29Å; R43-N65 PolarHBondContact NE-ND2 3.33Å; R43-N65 VanDerWaalsContact NE-ND2 3.18Å; R43-N65 PolarHBondContact NH2-ND2 3.36Å; R43-N65 PolarHBondContact NH2-OD1 3.2Å; R43-P66 VanDerWaalsContact CA-O 3.24Å; R43-P66 WeakPolarHBondContact CA-O 3.38Å; R43-P66 VanDerWaalsContact CB-O 3.3Å; R43-P66 WeakPolarHBondContact CB-O 3.47Å; R43-R67 HydrophobicContact CB-CG 4.31Å; R43-T140 PolarHBondContact O-N 3.41Å |
| 44 | F | 98.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 171.1 | 161.2 | 71.4 | -90.3 | 0 | 0 | 0 | 109.1 | V37 V46 N65 P66 L68 L94 F100 S138 V141 | V37-F44 HydrophobicContact CG2-CE1 4.04Å; F44-V46 HydrophobicContact CE2-CG2 4.26Å; F44-N65 PolarHBondContact O-ND2 2.8Å; F44-P66 HydrophobicContact CD1-CB 4.37Å; F44-P66 HydrophobicContact CE1-CB 3.94Å; F44-P66 HydrophobicContact CE1-CG 3.97Å; F44-P66 HydrophobicContact CE2-CG 4.06Å; F44-P66 HydrophobicContact CZ-CB 4.2Å; F44-P66 HydrophobicContact CZ-CG 3.7Å; F44-P66 PolarHBondContact N-O 3.2Å; F44-P66 WeakPolarHBondContact O-CD 3.41Å; F44-L68 HydrophobicContact CE1-CD1 4.44Å; F44-L94 HydrophobicContact CE1-CD1 3.8Å; F44-L94 HydrophobicContact CZ-CD1 3.62Å; F44-F100 HydrophobicContact CE2-CZ 4.5Å; F44-F100 HydrophobicContact CZ-CE1 4.36Å; F44-F100 HydrophobicContact CZ-CZ 4.25Å; F44-S138 CarbonylContact C-O 3.49Å; F44-S138 VanDerWaalsContact CA-O 3.29Å; F44-S138 WeakPolarHBondContact CA-O 3.48Å; F44-S138 WeakPolarHBondContact CB-O 3.4Å; F44-V141 HydrophobicContact CB-CB 3.73Å; F44-V141 HydrophobicContact CB-CG1 3.81Å; F44-V141 HydrophobicContact CD1-CB 4.11Å; F44-V141 HydrophobicContact CD1-CG2 4.33Å; F44-V141 HydrophobicContact CD2-CB 4.07Å; F44-V141 HydrophobicContact CD2-CG1 4.14Å; F44-V141 HydrophobicContact CD2-CG2 4.14Å; F44-V141 HydrophobicContact CE1-CG2 4.48Å; F44-V141 HydrophobicContact CE2-CG2 4.31Å; F44-V141 HydrophobicContact CG-CB 3.72Å; F44-V141 HydrophobicContact CG-CG1 4.09Å; F44-V141 HydrophobicContact CG-CG2 4.14Å; F44-V141 HydrophobicContact CZ-CG2 4.47Å |
| 45 | Q | 98.8 | Very high | 92 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 149.1 | 176.8 | 66.7 | -163.3 | 44.3 | 0 | 0 | 111.7 | D47 H63 F64 N65 I137 S138 | Q45-D47 PolarHBondContact NE2-OD2 3.07Å; Q45-H63 PolarHBondContact OE1-CE1 3.3Å; Q45-F64 CarbonylContact C-O 3.48Å; Q45-F64 VanDerWaalsContact CA-O 3.23Å; Q45-F64 WeakPolarHBondContact CA-O 3.44Å; Q45-N65 HydrophobicContact CB-CB 4.18Å; Q45-I137 WeakPolarHBondContact O-CA 3.36Å; Q45-S138 VanDerWaalsContact CG-OG 3.24Å; Q45-S138 WeakPolarHBondContact CG-OG 3.13Å; Q45-S138 PolarHBondContact N-O 2.71Å; Q45-S138 PolarHBondContact NE2-OG 2.83Å; Q45-S138 PolarHBondContact O-N 2.97Å; Q45-S138 VanDerWaalsContact O-N 3.1Å |
| 46 | V | 98.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.7 | 168 | 178.9 | 0 | 0 | 0 | 0 | 106.1 | I33 F44 F64 L102 I104 I135 L136 I137 | I33-V46 HydrophobicContact CD1-CB 4.42Å; I33-V46 HydrophobicContact CD1-CG1 3.61Å; I33-V46 HydrophobicContact CD1-CG2 3.95Å; F44-V46 HydrophobicContact CE2-CG2 4.26Å; V46-F64 HydrophobicContact CB-CB 4.43Å; V46-F64 HydrophobicContact CB-CD1 4.36Å; V46-F64 HydrophobicContact CG2-CD1 4.48Å; V46-F64 PolarHBondContact N-O 2.85Å; V46-F64 WeakPolarHBondContact O-CB 3.17Å; V46-F64 PolarHBondContact O-N 3.19Å; V46-L102 HydrophobicContact CG2-CD2 4.1Å; V46-I104 HydrophobicContact CG1-CD1 4.37Å; V46-I135 HydrophobicContact CG1-CD1 3.96Å; V46-I135 HydrophobicContact CG1-CG1 4.16Å; V46-L136 WeakPolarHBondContact CA-O 3.43Å; V46-I137 HydrophobicContact CG1-CG1 4.45Å; V46-I137 HydrophobicContact CG2-CG1 4.29Å; V46-I137 HydrophobicContact CG2-CG2 4.43Å |
| 47 | D | 98.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126 | -176.3 | -62 | -19.5 | 0 | 0 | 0 | 109 | Q45 T49 V60 F62 H63 I135 L136 | Q45-D47 PolarHBondContact NE2-OD2 3.07Å; D47-T49 HydrophobicContact CB-CG2 3.91Å; D47-V60 HydrophobicContact CB-CG1 3.81Å; D47-F62 CarbonylContact C-O 3.51Å; D47-F62 WeakPolarHBondContact CA-O 3.42Å; D47-H63 IonicContact OD1-CE1 2.86Å; D47-H63 IonicContact OD1-CG 2.68Å; D47-H63 IonicContact OD1-ND1 3.45Å; D47-H63 PolarHBondContact OD1-ND1 3.23Å; D47-H63 IonicContact OD2-ND1 3.39Å; D47-I135 CarbonylContact O-C 3.53Å; D47-I135 WeakPolarHBondContact O-CA 3.32Å; D47-L136 HydrophobicContact CB-CB 4.22Å; D47-L136 PolarHBondContact N-O 2.88Å; D47-L136 PolarHBondContact O-N 2.86Å |
| 48 | F | 98.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 120.4 | 162.5 | -69.4 | -34.2 | 0 | 0 | 0 | 109.3 | I21 L25 V31 V60 A61 F62 I104 Y111 V132 T134 I135 | I21-F48 HydrophobicContact CD1-CD1 4.46Å; L25-F48 HydrophobicContact CD1-CD1 3.99Å; L25-F48 HydrophobicContact CD1-CD2 3.85Å; L25-F48 HydrophobicContact CD1-CE1 4.1Å; L25-F48 HydrophobicContact CD1-CE2 3.95Å; L25-F48 HydrophobicContact CD1-CG 3.89Å; L25-F48 HydrophobicContact CD1-CZ 4.1Å; V31-F48 HydrophobicContact CB-CE1 4.39Å; V31-F48 HydrophobicContact CB-CZ 3.88Å; V31-F48 HydrophobicContact CG1-CE1 4.22Å; V31-F48 HydrophobicContact CG1-CZ 4.15Å; V31-F48 HydrophobicContact CG2-CE1 4.02Å; V31-F48 HydrophobicContact CG2-CZ 3.63Å; F48-V60 CarbonylContact O-C 3.53Å; F48-A61 PolarHBondContact O-N 2.82Å; F48-F62 HydrophobicContact CB-CB 4.3Å; F48-F62 HydrophobicContact CD2-CB 4.17Å; F48-F62 AromaticContact CD2-CD1 3.83Å; F48-F62 HydrophobicContact CD2-CD1 3.83Å; F48-F62 HydrophobicContact CE2-CD1 4.13Å; F48-F62 PolarHBondContact N-O 2.84Å; F48-F62 PolarHBondContact O-N 2.9Å; F48-I104 HydrophobicContact CE2-CB 4.29Å; F48-I104 HydrophobicContact CE2-CD1 3.99Å; F48-I104 HydrophobicContact CE2-CG2 3.78Å; F48-I104 HydrophobicContact CZ-CB 4.31Å; F48-I104 HydrophobicContact CZ-CD1 3.82Å; F48-I104 HydrophobicContact CZ-CG2 4.29Å; F48-Y111 HydrophobicContact CD2-CD1 4.14Å; F48-Y111 AromaticContact CD2-CE1 3.67Å; F48-Y111 HydrophobicContact CD2-CE1 3.67Å; F48-Y111 HydrophobicContact CE2-CD1 4.04Å; F48-Y111 AromaticContact CE2-CE1 3.93Å; F48-Y111 HydrophobicContact CE2-CE1 3.93Å; F48-V132 HydrophobicContact CB-CG1 3.7Å; F48-V132 HydrophobicContact CG-CG1 4.36Å; F48-T134 WeakPolarHBondContact CA-O 3.29Å; F48-I135 HydrophobicContact CD1-CB 4.15Å; F48-I135 HydrophobicContact CD1-CG1 4.12Å; F48-I135 HydrophobicContact CE1-CB 4.23Å; F48-I135 HydrophobicContact CE1-CD1 3.95Å; F48-I135 HydrophobicContact CE1-CG1 4.02Å |
| 49 | T | 95.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 158.5 | -169.8 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | D47 G51 D59 V60 D133 T134 L136 | D47-T49 HydrophobicContact CB-CG2 3.91Å; T49-G51 VanDerWaalsContact CB-O 3.29Å; T49-G51 WeakPolarHBondContact CB-O 3.44Å; T49-G51 PolarHBondContact O-N 3.2Å; T49-G51 PolarHBondContact OG1-O 2.76Å; T49-D59 CarbonylContact C-O 3.54Å; T49-D59 WeakPolarHBondContact CA-O 3.37Å; T49-D59 WeakPolarHBondContact CB-O 3.36Å; T49-V60 HydrophobicContact CG2-CB 4.34Å; T49-V60 HydrophobicContact CG2-CG1 4.32Å; T49-V60 HydrophobicContact CG2-CG2 3.91Å; T49-D133 PolarHBondContact O-N 3.41Å; T49-T134 PolarHBondContact N-O 3.49Å; T49-T134 PolarHBondContact O-N 3.45Å; T49-T134 VanDerWaalsContact OG1-CB 3.26Å; T49-T134 WeakPolarHBondContact OG1-CB 3.46Å; T49-T134 WeakPolarHBondContact OG1-CG2 3.37Å; T49-L136 HydrophobicContact CG2-CD1 3.74Å; T49-L136 HydrophobicContact CG2-CG 4.02Å |
| 50 | C | 92.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 14% | 0.142 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -94.2 | 85.2 | 172.2 | -51.5 | 0 | 0 | 0 | 0 | 108.6 | D59 R131 | C50-D59 HydrophobicContact CB-CB 4.25Å; C50-D59 PolarHBondContact N-O 3.06Å; C50-R131 VanDerWaalsContact CA-O 3.24Å; C50-R131 WeakPolarHBondContact CA-O 3.37Å; C50-R131 HydrophobicContact CB-CB 4.16Å; C50-R131 WeakPolarHBondContact CB-O 3.37Å; C50-R131 VanDerWaalsContact SG-CB 3.53Å |
| 51 | G | 79.8 | Confident | 90.8 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 80.3 | -174.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T49 A58 D133 N279 | T49-G51 VanDerWaalsContact CB-O 3.29Å; T49-G51 WeakPolarHBondContact CB-O 3.44Å; T49-G51 PolarHBondContact O-N 3.2Å; T49-G51 PolarHBondContact OG1-O 2.76Å; G51-A58 WeakPolarHBondContact O-CB 3.29Å; G51-D133 VanDerWaalsContact CA-OD1 3.23Å; G51-D133 WeakPolarHBondContact CA-OD1 3.25Å; G51-D133 PolarHBondContact N-OD1 3.05Å; G51-N279 CarbonylContact C-O 3.59Å; G51-N279 WeakPolarHBondContact CA-O 3.06Å |
| 52 | S | 80.2 | Confident | 91 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -124.1 | 21.9 | -179.2 | 76.6 | 0 | 0 | 0 | 0 | 113.2 | V54 N279 | S52-V54 PolarHBondContact O-N 3.38Å; S52-N279 PolarHBondContact N-O 2.92Å; S52-N279 WeakPolarHBondContact OG-CA 3.4Å; S52-N279 WeakPolarHBondContact OG-CB 3.46Å; S52-N279 PolarHBondContact OG-OD1 2.77Å | ||
| 53 | S | 76.9 | Confident | 91.2 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 33% | 0.329 | 17% | 0.171 | S | C | . | . | trans | -57.7 | 133.7 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | K55 P56 R57 A58 | S53-K55 PolarHBondContact OG-N 2.86Å; S53-P56 VanDerWaalsContact CB-O 3.32Å; S53-P56 WeakPolarHBondContact CB-O 3.21Å; S53-P56 PolarHBondContact OG-O 2.82Å; S53-R57 CarbonylContact O-C 3.55Å; S53-R57 WeakPolarHBondContact O-CA 3.25Å; S53-A58 PolarHBondContact O-N 2.85Å | ||
| 54 | V | 77.7 | Confident | 91.2 | Very high | 93 Ų | 93 | 29 Ų | 29 | 56% | 0.564 | 16% | 0.155 | S | C | * | . | B | Isolated β-bridge | trans | -95.4 | -19.4 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | S52 E261 | S52-V54 PolarHBondContact O-N 3.38Å; V54-E261 WeakPolarHBondContact CG2-OE2 3.17Å |
| 55 | K | 71.8 | Confident | 91.2 | Very high | 176 Ų | 176 | 29 Ų | 29 | 77% | 0.765 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -153.3 | 108.2 | 179.9 | -166.7 | 172.3 | -176.6 | 178.4 | 0 | 111.8 | S53 | S53-K55 PolarHBondContact OG-N 2.86Š|
| 56 | P | 83.6 | Confident | 91.2 | Very high | 88 Ų | 88 | 27.7 Ų | 27.7 | 57% | 0.571 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -60.2 | 149.7 | -9.8 | 29.2 | -35 | 0 | 0 | 0 | 110.3 | S53 A58 E81 | S53-P56 VanDerWaalsContact CB-O 3.32Å; S53-P56 WeakPolarHBondContact CB-O 3.21Å; S53-P56 PolarHBondContact OG-O 2.82Å; P56-A58 PolarHBondContact O-N 3.26Å; P56-E81 HydrophobicContact CB-CG 4.32Å |
| 57 | R | 88.3 | Confident | 91.2 | Very high | 90 Ų | 90 | 29.6 Ų | 29.6 | 34% | 0.34 | 16% | 0.155 | S | C | . | . | B | Isolated β-bridge | trans | -58.3 | 130.1 | 176.3 | 179.7 | 177.5 | 176.3 | -169.2 | 0.4 | 109.5 | S53 L78 E81 | S53-R57 CarbonylContact O-C 3.55Å; S53-R57 WeakPolarHBondContact O-CA 3.25Å; R57-L78 HydrophobicContact CG-CD2 3.94Å; R57-E81 HydrophobicContact CB-CG 4.11Å; R57-E81 WeakPolarHBondContact CB-OE1 3.12Å; R57-E81 PolarHBondContact N-OE1 2.86Å |
| 58 | A | 85.4 | Confident | 91.1 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 142.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G51 S53 P56 V60 | G51-A58 WeakPolarHBondContact O-CB 3.29Å; S53-A58 PolarHBondContact O-N 2.85Å; P56-A58 PolarHBondContact O-N 3.26Å; A58-V60 PolarHBondContact O-N 3.18Å |
| 59 | D | 96.1 | Very high | 90.9 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 137.6 | 173.4 | -71.4 | -12.5 | 0 | 0 | 0 | 109.5 | T49 C50 L78 E79 K80 R131 | T49-D59 CarbonylContact C-O 3.54Å; T49-D59 WeakPolarHBondContact CA-O 3.37Å; T49-D59 WeakPolarHBondContact CB-O 3.36Å; C50-D59 HydrophobicContact CB-CB 4.25Å; C50-D59 PolarHBondContact N-O 3.06Å; D59-L78 CarbonylContact C-O 3.6Å; D59-L78 VanDerWaalsContact CA-O 3.24Å; D59-L78 WeakPolarHBondContact CA-O 3.36Å; D59-L78 WeakPolarHBondContact CB-O 3.36Å; D59-E79 WeakPolarHBondContact OD1-CA 3.23Å; D59-K80 PolarHBondContact OD1-N 3.08Å; D59-R131 IonicContact OD2-CZ 3.65Å; D59-R131 IonicContact OD2-NH1 3.84Å; D59-R131 IonicContact OD2-NH2 3.97Å; D59-R131 PolarHBondContact OD2-NH2 3.39Å |
| 60 | V | 98.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 101.9 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | D47 F48 T49 A58 F62 H63 T77 L78 W83 | D47-V60 HydrophobicContact CB-CG1 3.81Å; F48-V60 CarbonylContact O-C 3.53Å; T49-V60 HydrophobicContact CG2-CB 4.34Å; T49-V60 HydrophobicContact CG2-CG1 4.32Å; T49-V60 HydrophobicContact CG2-CG2 3.91Å; A58-V60 PolarHBondContact O-N 3.18Å; V60-F62 VanDerWaalsContact C-N 3.34Å; V60-H63 HydrophobicContact CG1-CB 3.82Å; V60-T77 CarbonylContact O-C 3.51Å; V60-T77 WeakPolarHBondContact O-CA 3.24Å; V60-T77 VanDerWaalsContact O-CG2 3.29Å; V60-T77 WeakPolarHBondContact O-CG2 3.42Å; V60-L78 HydrophobicContact CB-CB 3.73Å; V60-L78 HydrophobicContact CG2-CB 3.84Å; V60-L78 HydrophobicContact CG2-CD2 4.03Å; V60-L78 PolarHBondContact N-O 3.05Å; V60-L78 PolarHBondContact O-N 3.48Å; V60-W83 HydrophobicContact CB-CH2 4.43Å; V60-W83 HydrophobicContact CG2-CH2 4.41Å |
| 61 | A | 98.7 | Very high | 91 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F48 T77 V127 V132 | F48-A61 PolarHBondContact O-N 2.82Å; A61-T77 PolarHBondContact O-OG1 3.29Å; A61-V127 HydrophobicContact CB-CB 3.88Å; A61-V127 HydrophobicContact CB-CG1 4.19Å; A61-V127 HydrophobicContact CB-CG2 4.45Å; A61-V132 HydrophobicContact CB-CG2 3.43Å; A61-V132 VanDerWaalsContact CB-CG2 3.43Å |
| 62 | F | 98.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 111.6 | 175.9 | 178.1 | -136.4 | 0 | 0 | 0 | 111.1 | D47 F48 V60 F64 C75 I104 Y111 V113 L121 Y123 | D47-F62 CarbonylContact C-O 3.51Å; D47-F62 WeakPolarHBondContact CA-O 3.42Å; F48-F62 HydrophobicContact CB-CB 4.3Å; F48-F62 HydrophobicContact CD2-CB 4.17Å; F48-F62 AromaticContact CD2-CD1 3.83Å; F48-F62 HydrophobicContact CD2-CD1 3.83Å; F48-F62 HydrophobicContact CE2-CD1 4.13Å; F48-F62 PolarHBondContact N-O 2.84Å; F48-F62 PolarHBondContact O-N 2.9Å; V60-F62 VanDerWaalsContact C-N 3.34Å; F62-F64 HydrophobicContact CE1-CB 4.08Å; F62-F64 HydrophobicContact CE2-CB 4.42Å; F62-F64 HydrophobicContact CZ-CB 3.91Å; F62-F64 HydrophobicContact CZ-CD2 4.14Å; F62-F64 HydrophobicContact CZ-CG 4.48Å; F62-C75 HydrophobicContact CE2-CB 4.03Å; F62-I104 HydrophobicContact CE1-CD1 4.2Å; F62-I104 HydrophobicContact CE1-CG2 4.21Å; F62-Y111 HydrophobicContact CB-CD2 3.84Å; F62-Y111 HydrophobicContact CB-CE2 3.54Å; F62-Y111 HydrophobicContact CD1-CD1 4.36Å; F62-Y111 AromaticContact CD1-CD2 4Å; F62-Y111 HydrophobicContact CD1-CD2 4Å; F62-Y111 HydrophobicContact CD1-CE2 4.43Å; F62-Y111 AromaticContact CD1-CG 3.95Å; F62-Y111 HydrophobicContact CD1-CG 3.95Å; F62-Y111 HydrophobicContact CD2-CD2 4.34Å; F62-Y111 HydrophobicContact CE1-CG 4.37Å; F62-Y111 AromaticContact CG-CD2 3.82Å; F62-Y111 HydrophobicContact CG-CD2 3.82Å; F62-Y111 HydrophobicContact CG-CE2 4.06Å; F62-Y111 HydrophobicContact CG-CG 4.26Å; F62-V113 HydrophobicContact CE1-CG2 4.04Å; F62-V113 HydrophobicContact CZ-CG2 3.86Å; F62-L121 HydrophobicContact CZ-CD1 4.32Å; F62-Y123 HydrophobicContact CB-CD1 4.47Å; F62-Y123 AromaticContact CD2-CD1 3.31Å; F62-Y123 HydrophobicContact CD2-CD1 3.31Å; F62-Y123 HydrophobicContact CD2-CD2 4.4Å; F62-Y123 AromaticContact CD2-CE1 3.82Å; F62-Y123 HydrophobicContact CD2-CE1 3.82Å; F62-Y123 AromaticContact CD2-CG 3.64Å; F62-Y123 HydrophobicContact CD2-CG 3.64Å; F62-Y123 AromaticContact CE2-CD1 3.8Å; F62-Y123 HydrophobicContact CE2-CD1 3.8Å; F62-Y123 HydrophobicContact CE2-CD2 4.21Å; F62-Y123 AromaticContact CE2-CG 3.59Å; F62-Y123 HydrophobicContact CE2-CG 3.59Å; F62-Y123 HydrophobicContact CG-CD1 4.16Å |
| 63 | H | 98.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 112.5 | 172.3 | 175.1 | 64.1 | 0 | 0 | 0 | 108.8 | Q45 D47 V60 N65 C75 N76 W83 | Q45-H63 PolarHBondContact OE1-CE1 3.3Å; D47-H63 IonicContact OD1-CE1 2.86Å; D47-H63 IonicContact OD1-CG 2.68Å; D47-H63 IonicContact OD1-ND1 3.45Å; D47-H63 PolarHBondContact OD1-ND1 3.23Å; D47-H63 IonicContact OD2-ND1 3.39Å; V60-H63 HydrophobicContact CG1-CB 3.82Å; H63-N65 WeakPolarHBondContact NE2-CB 3.41Å; H63-C75 WeakPolarHBondContact O-CA 3.37Å; H63-N76 VanDerWaalsContact CB-O 3.25Å; H63-N76 WeakPolarHBondContact CB-O 3.24Å; H63-N76 PolarHBondContact N-O 3.48Å; H63-N76 PolarHBondContact O-N 2.98Å; H63-W83 HydrophobicContact CB-CH2 3.65Å; H63-W83 HydrophobicContact CB-CZ3 3.57Å; H63-W83 AromaticContact CD2-CH2 3.75Å; H63-W83 AromaticContact CD2-CZ3 3.97Å; H63-W83 AromaticContact CG-CH2 3.45Å; H63-W83 VanDerWaalsContact CG-CH2 3.45Å; H63-W83 AromaticContact CG-CZ3 3.78Å; H63-W83 AromaticContact ND1-CH2 3.7Å |
| 64 | F | 98.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 107.6 | 172.7 | 175.7 | -97.5 | 0 | 0 | 0 | 109.3 | Q45 V46 F62 P66 I73 L102 V113 L121 | Q45-F64 CarbonylContact C-O 3.48Å; Q45-F64 VanDerWaalsContact CA-O 3.23Å; Q45-F64 WeakPolarHBondContact CA-O 3.44Å; V46-F64 HydrophobicContact CB-CB 4.43Å; V46-F64 HydrophobicContact CB-CD1 4.36Å; V46-F64 HydrophobicContact CG2-CD1 4.48Å; V46-F64 PolarHBondContact N-O 2.85Å; V46-F64 WeakPolarHBondContact O-CB 3.17Å; V46-F64 PolarHBondContact O-N 3.19Å; F62-F64 HydrophobicContact CE1-CB 4.08Å; F62-F64 HydrophobicContact CE2-CB 4.42Å; F62-F64 HydrophobicContact CZ-CB 3.91Å; F62-F64 HydrophobicContact CZ-CD2 4.14Å; F62-F64 HydrophobicContact CZ-CG 4.48Å; F64-P66 HydrophobicContact CD1-CG 3.93Å; F64-P66 HydrophobicContact CE1-CG 3.33Å; F64-P66 HydrophobicContact CZ-CG 3.84Å; F64-P66 WeakPolarHBondContact O-CD 3.48Å; F64-I73 HydrophobicContact CD2-CG2 3.72Å; F64-I73 HydrophobicContact CE2-CD1 4.01Å; F64-I73 HydrophobicContact CE2-CG2 3.47Å; F64-I73 VanDerWaalsContact CE2-CG2 3.47Å; F64-I73 HydrophobicContact CZ-CD1 3.91Å; F64-I73 HydrophobicContact CZ-CG2 4.06Å; F64-L102 HydrophobicContact CD1-CD2 4.14Å; F64-L102 HydrophobicContact CE1-CD1 4.2Å; F64-L102 HydrophobicContact CE1-CD2 3.85Å; F64-L102 HydrophobicContact CZ-CD1 4.15Å; F64-V113 HydrophobicContact CD2-CG1 4.49Å; F64-V113 HydrophobicContact CE2-CG1 3.9Å; F64-V113 HydrophobicContact CZ-CG1 4.32Å; F64-L121 HydrophobicContact CD2-CD2 4.47Å; F64-L121 HydrophobicContact CE2-CD2 4.15Å |
| 65 | N | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 90.1 | -173.4 | 174.2 | -133.4 | 0 | 0 | 0 | 113.4 | R43 F44 Q45 H63 R67 V74 | R43-N65 VanDerWaalsContact CZ-OD1 3.29Å; R43-N65 PolarHBondContact NE-ND2 3.33Å; R43-N65 VanDerWaalsContact NE-ND2 3.18Å; R43-N65 PolarHBondContact NH2-ND2 3.36Å; R43-N65 PolarHBondContact NH2-OD1 3.2Å; F44-N65 PolarHBondContact O-ND2 2.8Å; Q45-N65 HydrophobicContact CB-CB 4.18Å; H63-N65 WeakPolarHBondContact NE2-CB 3.41Å; N65-R67 PolarHBondContact O-N 2.93Å; N65-R67 WeakPolarHBondContact OD1-CG 3.36Å; N65-R67 PolarHBondContact OD1-NE 3.28Å; N65-V74 PolarHBondContact N-O 3.1Å; N65-V74 PolarHBondContact O-N 3.28Å |
| 66 | P | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 122.9 | 164.9 | -24.9 | 36.6 | 0 | 0 | 0 | 111.7 | R43 F44 F64 L68 I73 M92 L94 | R43-P66 VanDerWaalsContact CA-O 3.24Å; R43-P66 WeakPolarHBondContact CA-O 3.38Å; R43-P66 VanDerWaalsContact CB-O 3.3Å; R43-P66 WeakPolarHBondContact CB-O 3.47Å; F44-P66 HydrophobicContact CD1-CB 4.37Å; F44-P66 HydrophobicContact CE1-CB 3.94Å; F44-P66 HydrophobicContact CE1-CG 3.97Å; F44-P66 HydrophobicContact CE2-CG 4.06Å; F44-P66 HydrophobicContact CZ-CB 4.2Å; F44-P66 HydrophobicContact CZ-CG 3.7Å; F44-P66 PolarHBondContact N-O 3.2Å; F44-P66 WeakPolarHBondContact O-CD 3.41Å; F64-P66 HydrophobicContact CD1-CG 3.93Å; F64-P66 HydrophobicContact CE1-CG 3.33Å; F64-P66 HydrophobicContact CZ-CG 3.84Å; F64-P66 WeakPolarHBondContact O-CD 3.48Å; P66-L68 HydrophobicContact CB-CD1 3.53Å; P66-I73 HydrophobicContact CB-CG1 4.33Å; P66-I73 HydrophobicContact CG-CG1 4.33Å; P66-M92 HydrophobicContact CB-CE 4.45Å; P66-M92 HydrophobicContact CB-SD 4.47Å; P66-L94 HydrophobicContact CB-CD1 3.7Å; P66-L94 HydrophobicContact CG-CD1 3.57Å |
| 67 | R | 98.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 16% | 0.162 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 92.5 | 172.7 | -58.4 | -177.7 | -174.6 | 169.6 | 5.2 | 108.1 | D42 R43 N65 K70 K71 R72 V74 E86 M92 | D42-R67 CarbonylContact O-C 3.58Å; R43-R67 HydrophobicContact CB-CG 4.31Å; N65-R67 PolarHBondContact O-N 2.93Å; N65-R67 WeakPolarHBondContact OD1-CG 3.36Å; N65-R67 PolarHBondContact OD1-NE 3.28Å; R67-K70 HydrophobicContact CB-CB 4.15Å; R67-K70 CarbonylContact O-C 3.56Å; R67-K70 PolarHBondContact O-N 3.01Å; R67-K71 PolarHBondContact O-N 2.85Å; R67-R72 HydrophobicContact CB-CG 4.19Å; R67-R72 PolarHBondContact N-O 3.17Å; R67-R72 PolarHBondContact O-N 3.11Å; R67-V74 VanDerWaalsContact CZ-CG2 3.49Å; R67-E86 IonicContact NH2-OE1 2.72Å; R67-E86 PolarHBondContact NH2-OE1 2.85Å; R67-M92 WeakPolarHBondContact O-CE 3.3Å |
| 68 | L | 96.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 7% | 0.073 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -46.3 | -166 | -71.6 | 25.3 | 0 | 0 | 0 | 111.2 | V37 A41 D42 F44 P66 K70 K71 M92 V96 | V37-L68 HydrophobicContact CG1-CD2 3.38Å; V37-L68 HydrophobicContact CG1-CG 4.33Å; A41-L68 HydrophobicContact CB-CD2 3.57Å; D42-L68 WeakPolarHBondContact O-CB 3.44Å; D42-L68 PolarHBondContact O-N 3.2Å; F44-L68 HydrophobicContact CE1-CD1 4.44Å; P66-L68 HydrophobicContact CB-CD1 3.53Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 2.96Å; L68-K71 PolarHBondContact O-N 3.28Å; L68-K71 VanDerWaalsContact O-N 3.11Å; L68-M92 HydrophobicContact CD1-CE 4.1Å; L68-M92 HydrophobicContact CD1-SD 3.9Å; L68-V96 HydrophobicContact CB-CG2 4.24Å; L68-V96 HydrophobicContact CD2-CG2 4.33Å; L68-V96 HydrophobicContact CG-CG2 4.41Å |
| 69 | K | 93.7 | Very high | 98 | Very high | 151 Ų | 151 | 33 Ų | 33 | 66% | 0.657 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -38.3 | 176.2 | -69 | -175.1 | -176.4 | 174.4 | 0 | 112.4 | D42 K71 | D42-K69 HydrophobicContact CB-CD 4.17Å; D42-K69 HydrophobicContact CB-CG 4.5Å; D42-K69 WeakPolarHBondContact OD1-CB 3.45Å; D42-K69 WeakPolarHBondContact OD1-CD 3.42Å; D42-K69 WeakPolarHBondContact OD1-CG 3.27Å; K69-K71 VanDerWaalsContact C-N 3.27Å; K69-K71 PolarHBondContact O-N 3.47Å |
| 70 | K | 95.3 | Very high | 97.8 | Very high | 129 Ų | 129 | 40.3 Ų | 40.3 | 56% | 0.561 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 2 | 178.1 | -64.4 | -169.4 | 178.2 | -177.3 | 0 | 113.6 | R67 L68 R72 | R67-K70 HydrophobicContact CB-CB 4.15Å; R67-K70 CarbonylContact O-C 3.56Å; R67-K70 PolarHBondContact O-N 3.01Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 2.96Å; K70-R72 VanDerWaalsContact C-N 3.26Å; K70-R72 HydrophobicContact CB-CG 4.18Å; K70-R72 PolarHBondContact O-N 3.39Å; K70-R72 PolarHBondContact O-NE 3.02Å |
| 71 | K | 96.8 | Very high | 97.6 | Very high | 153 Ų | 153 | 45.5 Ų | 45.5 | 67% | 0.665 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45 | 45.9 | -179.9 | -61.6 | -176.2 | 178.9 | -179.6 | 0 | 113.6 | R67 L68 K69 Y90 M92 | R67-K71 PolarHBondContact O-N 2.85Å; L68-K71 PolarHBondContact O-N 3.28Å; L68-K71 VanDerWaalsContact O-N 3.11Å; K69-K71 VanDerWaalsContact C-N 3.27Å; K69-K71 PolarHBondContact O-N 3.47Å; K71-Y90 CarbonylContact O-C 3.54Å; K71-M92 HydrophobicContact CB-CB 4.37Å |
| 72 | R | 98.3 | Very high | 97.6 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 154 | 178.3 | 70.3 | -174.2 | 72.5 | -175.2 | 1.8 | 112.2 | R67 K70 V74 I88 L89 Y90 M92 | R67-R72 HydrophobicContact CB-CG 4.19Å; R67-R72 PolarHBondContact N-O 3.17Å; R67-R72 PolarHBondContact O-N 3.11Å; K70-R72 VanDerWaalsContact C-N 3.26Å; K70-R72 HydrophobicContact CB-CG 4.18Å; K70-R72 PolarHBondContact O-N 3.39Å; K70-R72 PolarHBondContact O-NE 3.02Å; R72-V74 HydrophobicContact CG-CG2 4.27Å; R72-I88 HydrophobicContact CB-CG2 3.98Å; R72-I88 HydrophobicContact CG-CG2 4.29Å; R72-L89 CarbonylContact C-O 3.48Å; R72-L89 WeakPolarHBondContact CA-O 3.36Å; R72-L89 WeakPolarHBondContact CB-O 3.24Å; R72-Y90 HydrophobicContact CB-CD1 4.47Å; R72-M92 VanDerWaalsContact C-CE 3.47Å; R72-M92 VanDerWaalsContact N-CE 3.29Å; R72-M92 WeakPolarHBondContact O-CE 3.24Å |
| 73 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129 | 166.9 | -61.6 | 170.7 | 0 | 0 | 0 | 107.2 | F64 P66 I88 L89 M92 P93 V120 L121 | F64-I73 HydrophobicContact CD2-CG2 3.72Å; F64-I73 HydrophobicContact CE2-CD1 4.01Å; F64-I73 HydrophobicContact CE2-CG2 3.47Å; F64-I73 VanDerWaalsContact CE2-CG2 3.47Å; F64-I73 HydrophobicContact CZ-CD1 3.91Å; F64-I73 HydrophobicContact CZ-CG2 4.06Å; P66-I73 HydrophobicContact CB-CG1 4.33Å; P66-I73 HydrophobicContact CG-CG1 4.33Å; I73-I88 WeakPolarHBondContact O-CA 3.47Å; I73-L89 HydrophobicContact CB-CB 4.38Å; I73-L89 HydrophobicContact CD1-CD2 4.42Å; I73-L89 PolarHBondContact N-O 2.91Å; I73-L89 PolarHBondContact O-N 2.88Å; I73-M92 HydrophobicContact CG1-CE 4.25Å; I73-P93 HydrophobicContact CD1-CG 4.12Å; I73-V120 HydrophobicContact CD1-CG1 3.96Å; I73-L121 HydrophobicContact CG2-CD2 3.96Å |
| 74 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.2 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | N65 R67 R72 E86 I88 | N65-V74 PolarHBondContact N-O 3.1Å; N65-V74 PolarHBondContact O-N 3.28Å; R67-V74 VanDerWaalsContact CZ-CG2 3.49Å; R72-V74 HydrophobicContact CG-CG2 4.27Å; V74-E86 HydrophobicContact CG1-CB 4.14Å; V74-E86 HydrophobicContact CG1-CG 3.85Å; V74-E86 WeakPolarHBondContact CG1-OE1 3.34Å; V74-I88 HydrophobicContact CG2-CG1 4.29Å |
| 75 | C | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.5 | 172 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | F62 H63 E87 L121 Y123 | F62-C75 HydrophobicContact CE2-CB 4.03Å; H63-C75 WeakPolarHBondContact O-CA 3.37Å; C75-E87 HydrophobicContact CB-CB 4.26Å; C75-E87 PolarHBondContact N-O 2.9Å; C75-E87 PolarHBondContact O-N 2.71Å; C75-L121 VanDerWaalsContact SG-CD2 3.58Å; C75-Y123 HydrophobicContact CB-CD2 3.6Å; C75-Y123 HydrophobicContact CB-CE2 3.73Å; C75-Y123 HydrophobicContact CB-CG 4.41Å |
| 76 | N | 98.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 177.3 | 175.8 | -149.6 | -17.4 | 0 | 0 | 0 | 112.1 | H63 W83 G84 S85 E86 Y123 R126 | H63-N76 VanDerWaalsContact CB-O 3.25Å; H63-N76 WeakPolarHBondContact CB-O 3.24Å; H63-N76 PolarHBondContact N-O 3.48Å; H63-N76 PolarHBondContact O-N 2.98Å; N76-W83 HydrophobicContact CB-CE3 3.72Å; N76-W83 HydrophobicContact CB-CZ3 3.91Å; N76-G84 PolarHBondContact ND2-O 2.96Å; N76-G84 WeakPolarHBondContact OD1-CA 3.44Å; N76-G84 PolarHBondContact OD1-N 2.82Å; N76-G84 PolarHBondContact OD1-O 3.43Å; N76-S85 PolarHBondContact OD1-O 3.1Å; N76-E86 WeakPolarHBondContact ND2-CG 3.34Å; N76-Y123 VanDerWaalsContact CA-OH 3.27Å; N76-Y123 WeakPolarHBondContact CA-OH 3.23Å; N76-Y123 PolarHBondContact O-OH 3.3Å; N76-R126 PolarHBondContact OD1-NH1 3.49Å |
| 77 | T | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.6 | 172.8 | -64 | 0 | 0 | 0 | 0 | 108.4 | V60 A61 E79 G84 Y123 R126 V127 | V60-T77 CarbonylContact O-C 3.51Å; V60-T77 WeakPolarHBondContact O-CA 3.24Å; V60-T77 VanDerWaalsContact O-CG2 3.29Å; V60-T77 WeakPolarHBondContact O-CG2 3.42Å; A61-T77 PolarHBondContact O-OG1 3.29Å; T77-E79 HydrophobicContact CG2-CG 3.99Å; T77-G84 PolarHBondContact O-N 2.86Å; T77-Y123 PolarHBondContact N-OH 2.69Å; T77-Y123 PolarHBondContact OG1-OH 3.29Å; T77-R126 HydrophobicContact CG2-CB 4.06Å; T77-V127 HydrophobicContact CG2-CG2 3.61Å |
| 78 | L | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 74.9 Ų | 74.9 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.3 | 171.2 | -173 | 87.8 | 0 | 0 | 0 | 108.2 | R57 D59 V60 R82 W83 | R57-L78 HydrophobicContact CG-CD2 3.94Å; D59-L78 CarbonylContact C-O 3.6Å; D59-L78 VanDerWaalsContact CA-O 3.24Å; D59-L78 WeakPolarHBondContact CA-O 3.36Å; D59-L78 WeakPolarHBondContact CB-O 3.36Å; V60-L78 HydrophobicContact CB-CB 3.73Å; V60-L78 HydrophobicContact CG2-CB 3.84Å; V60-L78 HydrophobicContact CG2-CD2 4.03Å; V60-L78 PolarHBondContact N-O 3.05Å; V60-L78 PolarHBondContact O-N 3.48Å; L78-R82 WeakPolarHBondContact CA-O 3.21Å; L78-R82 VanDerWaalsContact CD1-C 3.48Å; L78-W83 HydrophobicContact CB-CD2 4.2Å; L78-W83 HydrophobicContact CB-CE3 3.84Å; L78-W83 HydrophobicContact CB-CH2 4.11Å; L78-W83 HydrophobicContact CB-CZ2 4.46Å; L78-W83 HydrophobicContact CB-CZ3 3.78Å; L78-W83 HydrophobicContact CD1-CB 4.48Å; L78-W83 HydrophobicContact CD1-CD2 3.59Å; L78-W83 HydrophobicContact CD1-CE3 4.11Å; L78-W83 HydrophobicContact CD1-CG 3.75Å; L78-W83 HydrophobicContact CD1-CZ2 4.23Å |
| 79 | E | 97.8 | Very high | 97.6 | Very high | 85 Ų | 85 | 76 Ų | 76 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.6 | 171 | -73.4 | -178.7 | 94.6 | 0 | 0 | 109.3 | D59 T77 E81 R82 V127 | D59-E79 WeakPolarHBondContact OD1-CA 3.23Å; T77-E79 HydrophobicContact CG2-CG 3.99Å; E79-E81 PolarHBondContact O-N 2.88Å; E79-R82 PolarHBondContact N-O 3.31Å; E79-R82 PolarHBondContact O-N 2.88Å; E79-V127 HydrophobicContact CG-CG2 3.67Å |
| 80 | K | 92.8 | Very high | 97.8 | Very high | 177 Ų | 177 | 76.2 Ų | 76.2 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 46.6 | -179.9 | -55.3 | 175.6 | -177 | 175.5 | 0 | 111.7 | D59 R82 | D59-K80 PolarHBondContact OD1-N 3.08Å; K80-R82 PolarHBondContact O-N 2.85Å |
| 81 | E | 93.7 | Very high | 97.7 | Very high | 111 Ų | 111 | 76.5 Ų | 76.5 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 17.5 | -179.3 | -47.7 | -169.6 | 116.5 | 0 | 0 | 115.3 | P56 R57 E79 | P56-E81 HydrophobicContact CB-CG 4.32Å; R57-E81 HydrophobicContact CB-CG 4.11Å; R57-E81 WeakPolarHBondContact CB-OE1 3.12Å; R57-E81 PolarHBondContact N-OE1 2.86Å; E79-E81 PolarHBondContact O-N 2.88Å |
| 82 | R | 98.1 | Very high | 97.7 | Very high | 202 Ų | 202 | 71.4 Ų | 71.4 | 76% | 0.762 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.4 | 177.3 | -63.3 | -178.7 | -175.6 | -168.3 | 0.5 | 111.2 | L78 E79 K80 | L78-R82 WeakPolarHBondContact CA-O 3.21Å; L78-R82 VanDerWaalsContact CD1-C 3.48Å; E79-R82 PolarHBondContact N-O 3.31Å; E79-R82 PolarHBondContact O-N 2.88Å; K80-R82 PolarHBondContact O-N 2.85Å |
| 83 | W | 98.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.8 | 175 | -73.9 | 111.9 | 0 | 0 | 0 | 110.6 | V60 H63 N76 L78 | V60-W83 HydrophobicContact CB-CH2 4.43Å; V60-W83 HydrophobicContact CG2-CH2 4.41Å; H63-W83 HydrophobicContact CB-CH2 3.65Å; H63-W83 HydrophobicContact CB-CZ3 3.57Å; H63-W83 AromaticContact CD2-CH2 3.75Å; H63-W83 AromaticContact CD2-CZ3 3.97Å; H63-W83 AromaticContact CG-CH2 3.45Å; H63-W83 VanDerWaalsContact CG-CH2 3.45Å; H63-W83 AromaticContact CG-CZ3 3.78Å; H63-W83 AromaticContact ND1-CH2 3.7Å; N76-W83 HydrophobicContact CB-CE3 3.72Å; N76-W83 HydrophobicContact CB-CZ3 3.91Å; L78-W83 HydrophobicContact CB-CD2 4.2Å; L78-W83 HydrophobicContact CB-CE3 3.84Å; L78-W83 HydrophobicContact CB-CH2 4.11Å; L78-W83 HydrophobicContact CB-CZ2 4.46Å; L78-W83 HydrophobicContact CB-CZ3 3.78Å; L78-W83 HydrophobicContact CD1-CB 4.48Å; L78-W83 HydrophobicContact CD1-CD2 3.59Å; L78-W83 HydrophobicContact CD1-CE3 4.11Å; L78-W83 HydrophobicContact CD1-CG 3.75Å; L78-W83 HydrophobicContact CD1-CZ2 4.23Å |
| 84 | G | 98.7 | Very high | 97.6 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 43% | 0.433 | 34% | 0.337 | S | S | . | . | trans | -81 | -159.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N76 T77 | N76-G84 PolarHBondContact ND2-O 2.96Å; N76-G84 WeakPolarHBondContact OD1-CA 3.44Å; N76-G84 PolarHBondContact OD1-N 2.82Å; N76-G84 PolarHBondContact OD1-O 3.43Å; T77-G84 PolarHBondContact O-N 2.86Å | ||
| 85 | S | 98.4 | Very high | 97.4 | Very high | 92 Ų | 92 | 78.5 Ų | 78.5 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | trans | -71.7 | 125.6 | 177 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | N76 R126 | N76-S85 PolarHBondContact OD1-O 3.1Å; S85-R126 PolarHBondContact O-NH1 2.64Å; S85-R126 PolarHBondContact O-NH2 3.1Å | ||
| 86 | E | 98.7 | Very high | 97.3 | Very high | 98 Ų | 98 | 82.1 Ų | 82.1 | 46% | 0.458 | 39% | 0.393 | S | S | . | . | trans | -66.4 | 136.2 | 175.4 | -68.6 | -170.6 | 148.4 | 0 | 0 | 111.3 | R67 V74 N76 I88 | R67-E86 IonicContact NH2-OE1 2.72Å; R67-E86 PolarHBondContact NH2-OE1 2.85Å; V74-E86 HydrophobicContact CG1-CB 4.14Å; V74-E86 HydrophobicContact CG1-CG 3.85Å; V74-E86 WeakPolarHBondContact CG1-OE1 3.34Å; N76-E86 WeakPolarHBondContact ND2-CG 3.34Å; E86-I88 HydrophobicContact CB-CD1 4.45Å; E86-I88 HydrophobicContact CB-CG1 4.14Å | ||
| 87 | E | 98.8 | Very high | 97.1 | Very high | 76 Ų | 76 | 84.5 Ų | 84.5 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.1 | 163.7 | -72.3 | 178.5 | -133 | 0 | 0 | 108.3 | C75 Y123 R126 | C75-E87 HydrophobicContact CB-CB 4.26Å; C75-E87 PolarHBondContact N-O 2.9Å; C75-E87 PolarHBondContact O-N 2.71Å; E87-Y123 HydrophobicContact CB-CD2 4.46Å; E87-Y123 HydrophobicContact CB-CE2 4.25Å; E87-Y123 HydrophobicContact CG-CE2 4.19Å; E87-Y123 VanDerWaalsContact OE1-CE2 3.32Å; E87-Y123 WeakPolarHBondContact OE1-CE2 3.47Å; E87-R126 IonicContact OE1-CZ 3.58Å; E87-R126 IonicContact OE1-NE 3.86Å; E87-R126 IonicContact OE1-NH2 2.7Å; E87-R126 PolarHBondContact OE1-NH2 2.87Å |
| 88 | I | 98.7 | Very high | 96.9 | Very high | 52 Ų | 52 | 85.4 Ų | 85.4 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.3 | -170.6 | -53.5 | 179.6 | 0 | 0 | 0 | 110.2 | R72 I73 V74 E86 Y90 | R72-I88 HydrophobicContact CB-CG2 3.98Å; R72-I88 HydrophobicContact CG-CG2 4.29Å; I73-I88 WeakPolarHBondContact O-CA 3.47Å; V74-I88 HydrophobicContact CG2-CG1 4.29Å; E86-I88 HydrophobicContact CB-CD1 4.45Å; E86-I88 HydrophobicContact CB-CG1 4.14Å; I88-Y90 HydrophobicContact CB-CE2 4.06Å; I88-Y90 HydrophobicContact CG2-CD1 4.32Å; I88-Y90 HydrophobicContact CG2-CD2 4.14Å; I88-Y90 HydrophobicContact CG2-CE1 3.99Å; I88-Y90 HydrophobicContact CG2-CE2 3.76Å; I88-Y90 HydrophobicContact CG2-CG 4.4Å |
| 89 | L | 98.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 89.2 Ų | 89.2 | 19% | 0.194 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.6 | 166.4 | 179.4 | 66.1 | 0 | 0 | 0 | 109.5 | R72 I73 Q91 V120 L121 | R72-L89 CarbonylContact C-O 3.48Å; R72-L89 WeakPolarHBondContact CA-O 3.36Å; R72-L89 WeakPolarHBondContact CB-O 3.24Å; I73-L89 HydrophobicContact CB-CB 4.38Å; I73-L89 HydrophobicContact CD1-CD2 4.42Å; I73-L89 PolarHBondContact N-O 2.91Å; I73-L89 PolarHBondContact O-N 2.88Å; L89-Q91 HydrophobicContact CD1-CB 4.2Å; L89-Q91 HydrophobicContact CD1-CG 4.17Å; L89-Q91 HydrophobicContact CD2-CB 4.28Å; L89-Q91 HydrophobicContact CG-CB 4.02Å; L89-Q91 PolarHBondContact O-N 2.84Å; L89-V120 HydrophobicContact CD2-CG1 3.26Å; L89-V120 WeakPolarHBondContact CD2-O 3.4Å; L89-L121 HydrophobicContact CB-CD2 4.36Å; L89-L121 HydrophobicContact CD2-CB 4.41Å; L89-L121 HydrophobicContact CD2-CD2 4.2Å |
| 90 | Y | 97.6 | Very high | 96.9 | Very high | 155 Ų | 155 | 85.7 Ų | 85.7 | 61% | 0.608 | 44% | 0.444 | S | S | * | . | trans | -86.2 | 20.7 | 179.8 | -66.6 | -86.6 | 0 | 0 | 0 | 113.9 | K71 R72 I88 | K71-Y90 CarbonylContact O-C 3.54Å; R72-Y90 HydrophobicContact CB-CD1 4.47Å; I88-Y90 HydrophobicContact CB-CE2 4.06Å; I88-Y90 HydrophobicContact CG2-CD1 4.32Å; I88-Y90 HydrophobicContact CG2-CD2 4.14Å; I88-Y90 HydrophobicContact CG2-CE1 3.99Å; I88-Y90 HydrophobicContact CG2-CE2 3.76Å; I88-Y90 HydrophobicContact CG2-CG 4.4Å | ||
| 91 | Q | 93.4 | Very high | 97.1 | Very high | 135 Ų | 135 | 80.3 Ų | 80.3 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | trans | -112.4 | 142.4 | 174 | -60 | 179.4 | 17.3 | 0 | 0 | 108.8 | L89 | L89-Q91 HydrophobicContact CD1-CB 4.2Å; L89-Q91 HydrophobicContact CD1-CG 4.17Å; L89-Q91 HydrophobicContact CD2-CB 4.28Å; L89-Q91 HydrophobicContact CG-CB 4.02Å; L89-Q91 PolarHBondContact O-N 2.84Å | ||
| 92 | M | 96.8 | Very high | 97.4 | Very high | 46 Ų | 46 | 75.1 Ų | 75.1 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | trans | -122.1 | 93.3 | -179.7 | -175 | 56.5 | 62.4 | 0 | 0 | 109.6 | P66 R67 L68 K71 R72 I73 L94 | P66-M92 HydrophobicContact CB-CE 4.45Å; P66-M92 HydrophobicContact CB-SD 4.47Å; R67-M92 WeakPolarHBondContact O-CE 3.3Å; L68-M92 HydrophobicContact CD1-CE 4.1Å; L68-M92 HydrophobicContact CD1-SD 3.9Å; K71-M92 HydrophobicContact CB-CB 4.37Å; R72-M92 VanDerWaalsContact C-CE 3.47Å; R72-M92 VanDerWaalsContact N-CE 3.29Å; R72-M92 WeakPolarHBondContact O-CE 3.24Å; I73-M92 HydrophobicContact CG1-CE 4.25Å; M92-L94 VanDerWaalsContact C-N 3.25Å; M92-L94 WeakPolarHBondContact CG-O 3.48Å; M92-L94 PolarHBondContact O-N 2.68Å; M92-L94 HydrophobicContact SD-CB 4.03Å | ||
| 93 | P | 96.8 | Very high | 97.4 | Very high | 43 Ų | 43 | 67 Ų | 67 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | trans | -76.1 | -13.9 | 178.5 | 30.8 | -34.9 | 0 | 0 | 0 | 113 | I73 V115 V120 | I73-P93 HydrophobicContact CD1-CG 4.12Å; P93-V115 HydrophobicContact CB-CB 4.11Å; P93-V115 HydrophobicContact CB-CG1 4.06Å; P93-V115 HydrophobicContact CG-CB 4.03Å; P93-V115 HydrophobicContact CG-CG1 4.21Å; P93-V115 HydrophobicContact CG-CG2 4.09Å; P93-V120 HydrophobicContact CB-CG2 4.3Å; P93-V120 HydrophobicContact CG-CG1 4.07Å; P93-V120 HydrophobicContact CG-CG2 3.86Å | ||
| 94 | L | 97.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | trans | -89.4 | 143.4 | 179.5 | -63.4 | 163.1 | 0 | 0 | 0 | 110.9 | V37 F44 P66 M92 F100 V115 | V37-L94 HydrophobicContact CG2-CB 4.42Å; F44-L94 HydrophobicContact CE1-CD1 3.8Å; F44-L94 HydrophobicContact CZ-CD1 3.62Å; P66-L94 HydrophobicContact CB-CD1 3.7Å; P66-L94 HydrophobicContact CG-CD1 3.57Å; M92-L94 VanDerWaalsContact C-N 3.25Å; M92-L94 WeakPolarHBondContact CG-O 3.48Å; M92-L94 PolarHBondContact O-N 2.68Å; M92-L94 HydrophobicContact SD-CB 4.03Å; L94-F100 HydrophobicContact CD2-CB 3.43Å; L94-F100 VanDerWaalsContact CD2-CB 3.43Å; L94-F100 HydrophobicContact CD2-CD1 3.92Å; L94-F100 HydrophobicContact CD2-CD2 4.16Å; L94-F100 HydrophobicContact CD2-CG 3.58Å; L94-V115 HydrophobicContact CD2-CG1 3.77Å; L94-V115 HydrophobicContact CG-CG1 4.3Å | ||
| 95 | K | 95.2 | Very high | 97.4 | Very high | 167 Ų | 167 | 61.9 Ų | 61.9 | 73% | 0.726 | 34% | 0.339 | S | S | * | . | trans | -116.5 | 132.1 | 179.7 | -64.3 | -178.3 | -177.6 | 177.1 | 0 | 110.2 | V37 G97 G98 | V37-K95 WeakPolarHBondContact CB-O 3.47Å; K95-G97 PolarHBondContact O-N 2.81Å; K95-G98 WeakPolarHBondContact O-CA 3.5Å; K95-G98 PolarHBondContact O-N 3.48Å | ||
| 96 | V | 96.6 | Very high | 97.3 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 47% | 0.473 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 133.6 | 169.6 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | V37 L68 G98 | V37-V96 HydrophobicContact CG1-CG2 4.33Å; L68-V96 HydrophobicContact CB-CG2 4.24Å; L68-V96 HydrophobicContact CD2-CG2 4.33Å; L68-V96 HydrophobicContact CG-CG2 4.41Å; V96-G98 PolarHBondContact O-N 2.82Å |
| 97 | G | 94.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 55 Ų | 55 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -1.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V37 K95 | V37-G97 WeakPolarHBondContact O-CA 3.45Å; V37-G97 PolarHBondContact O-N 2.78Å; K95-G97 PolarHBondContact O-N 2.81Å |
| 98 | G | 94.9 | Very high | 97 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | trans | -99.4 | 146.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S36 V37 K95 V96 | S36-G98 WeakPolarHBondContact CA-O 3.4Å; V37-G98 PolarHBondContact N-O 3.28Å; K95-G98 WeakPolarHBondContact O-CA 3.5Å; K95-G98 PolarHBondContact O-N 3.48Å; V96-G98 PolarHBondContact O-N 2.82Å | ||
| 99 | A | 98.2 | Very high | 96.8 | Very high | 83 Ų | 83 | 61 Ų | 61 | 69% | 0.686 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 154.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G35 | G35-A99 CarbonylContact O-C 3.57Å; G35-A99 VanDerWaalsContact O-CA 3.31Å; G35-A99 WeakPolarHBondContact O-CA 3.34Å |
| 100 | F | 98.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 152.6 | 174.4 | 68.7 | -95.1 | 0 | 0 | 0 | 112.2 | I33 G35 V37 F44 L94 L102 N116 V141 | I33-F100 HydrophobicContact CG2-CE2 4.12Å; G35-F100 VanDerWaalsContact C-CE1 3.5Å; G35-F100 PolarHBondContact N-O 3.33Å; G35-F100 PolarHBondContact O-N 3.48Å; V37-F100 HydrophobicContact CG2-CD1 3.93Å; V37-F100 HydrophobicContact CG2-CE1 4.09Å; F44-F100 HydrophobicContact CE2-CZ 4.5Å; F44-F100 HydrophobicContact CZ-CE1 4.36Å; F44-F100 HydrophobicContact CZ-CZ 4.25Å; L94-F100 HydrophobicContact CD2-CB 3.43Å; L94-F100 VanDerWaalsContact CD2-CB 3.43Å; L94-F100 HydrophobicContact CD2-CD1 3.92Å; L94-F100 HydrophobicContact CD2-CD2 4.16Å; L94-F100 HydrophobicContact CD2-CG 3.58Å; F100-L102 HydrophobicContact CD2-CB 3.92Å; F100-L102 HydrophobicContact CE2-CB 3.98Å; F100-N116 WeakPolarHBondContact CA-OD1 3.42Å; F100-V141 HydrophobicContact CE1-CG2 3.77Å; F100-V141 HydrophobicContact CZ-CG2 3.82Å |
| 101 | E | 98.4 | Very high | 96.9 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.3 | 160.8 | -177.1 | 173.7 | 87.3 | 0 | 0 | 108.3 | L32 Q34 I103 V115 N116 | L32-E101 HydrophobicContact CD1-CG 3.45Å; L32-E101 VanDerWaalsContact CD1-CG 3.45Å; Q34-E101 HydrophobicContact CG-CG 4.44Å; Q34-E101 PolarHBondContact NE2-OE2 3.3Å; E101-I103 HydrophobicContact CG-CD1 4.41Å; E101-I103 HydrophobicContact CG-CG1 4.17Å; E101-V115 CarbonylContact O-C 3.46Å; E101-V115 VanDerWaalsContact O-CA 3.27Å; E101-V115 WeakPolarHBondContact O-CA 3.3Å; E101-N116 PolarHBondContact N-OD1 2.78Å; E101-N116 PolarHBondContact O-N 3.39Å |
| 102 | L | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.3 | 175.4 | 169.1 | 63.9 | 0 | 0 | 0 | 108.3 | L32 I33 V46 F64 F100 I104 V113 V115 | L32-L102 CarbonylContact C-O 3.47Å; L32-L102 WeakPolarHBondContact CA-O 3.5Å; I33-L102 HydrophobicContact CB-CB 4.21Å; I33-L102 HydrophobicContact CB-CD2 4.49Å; I33-L102 HydrophobicContact CD1-CD2 3.96Å; I33-L102 PolarHBondContact N-O 2.85Å; I33-L102 PolarHBondContact O-N 2.76Å; V46-L102 HydrophobicContact CG2-CD2 4.1Å; F64-L102 HydrophobicContact CD1-CD2 4.14Å; F64-L102 HydrophobicContact CE1-CD1 4.2Å; F64-L102 HydrophobicContact CE1-CD2 3.85Å; F64-L102 HydrophobicContact CZ-CD1 4.15Å; F100-L102 HydrophobicContact CD2-CB 3.92Å; F100-L102 HydrophobicContact CE2-CB 3.98Å; L102-I104 HydrophobicContact CD1-CG1 4.24Å; L102-I104 HydrophobicContact CD2-CD1 4.48Å; L102-I104 HydrophobicContact CG-CG1 4.29Å; L102-V113 HydrophobicContact CD1-CG1 3.44Å; L102-V113 VanDerWaalsContact CD1-CG1 3.44Å; L102-V115 HydrophobicContact CD1-CG2 3.89Å |
| 103 | I | 98.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 48.3 Ų | 48.3 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.8 | 176.3 | -61.4 | 174.8 | 0 | 0 | 0 | 108.1 | M30 V31 L32 E101 V113 A114 | M30-I103 HydrophobicContact CB-CG2 4.25Å; M30-I103 HydrophobicContact CG-CG2 4.4Å; M30-I103 HydrophobicContact SD-CG2 4.09Å; V31-I103 WeakPolarHBondContact O-CA 3.41Å; L32-I103 HydrophobicContact CD1-CD1 4.39Å; L32-I103 HydrophobicContact CD1-CG1 3.79Å; E101-I103 HydrophobicContact CG-CD1 4.41Å; E101-I103 HydrophobicContact CG-CG1 4.17Å; I103-V113 WeakPolarHBondContact O-CA 3.46Å; I103-A114 HydrophobicContact CB-CB 4.48Å; I103-A114 PolarHBondContact N-O 2.76Å; I103-A114 PolarHBondContact O-N 2.99Å |
| 104 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 106.3 | 172.9 | -52 | 169.9 | 0 | 0 | 0 | 108 | M30 V31 V46 F48 F62 L102 Y111 K112 V113 | M30-I104 CarbonylContact C-O 3.51Å; M30-I104 WeakPolarHBondContact CA-O 3.38Å; V31-I104 HydrophobicContact CB-CB 4.5Å; V31-I104 PolarHBondContact N-O 2.77Å; V31-I104 PolarHBondContact O-N 3.18Å; V46-I104 HydrophobicContact CG1-CD1 4.37Å; F48-I104 HydrophobicContact CE2-CB 4.29Å; F48-I104 HydrophobicContact CE2-CD1 3.99Å; F48-I104 HydrophobicContact CE2-CG2 3.78Å; F48-I104 HydrophobicContact CZ-CB 4.31Å; F48-I104 HydrophobicContact CZ-CD1 3.82Å; F48-I104 HydrophobicContact CZ-CG2 4.29Å; F62-I104 HydrophobicContact CE1-CD1 4.2Å; F62-I104 HydrophobicContact CE1-CG2 4.21Å; L102-I104 HydrophobicContact CD1-CG1 4.24Å; L102-I104 HydrophobicContact CD2-CD1 4.48Å; L102-I104 HydrophobicContact CG-CG1 4.29Å; I104-Y111 HydrophobicContact CG2-CD1 4.03Å; I104-Y111 HydrophobicContact CG2-CG 4.41Å; I104-K112 CarbonylContact C-O 3.59Å; I104-K112 WeakPolarHBondContact CA-O 3.31Å; I104-V113 HydrophobicContact CG1-CG2 4.27Å; I104-V113 HydrophobicContact CG2-CG2 4.3Å |
| 105 | L | 98 | Very high | 97.4 | Very high | 41 Ų | 41 | 47 Ų | 47 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.2 | 172.6 | 171.7 | 65 | 0 | 0 | 0 | 109.1 | M30 L107 Y111 K112 | M30-L105 HydrophobicContact CE-CD1 4.07Å; M30-L105 HydrophobicContact CG-CB 4.36Å; M30-L105 HydrophobicContact CG-CD1 3.81Å; L105-L107 HydrophobicContact CD1-CD2 4.31Å; L105-L107 HydrophobicContact CD2-CD2 3.92Å; L105-L107 HydrophobicContact CD2-CG 4.33Å; L105-L107 HydrophobicContact CG-CD2 3.93Å; L105-L107 HydrophobicContact CG-CG 4.2Å; L105-Y111 CarbonylContact O-C 3.49Å; L105-Y111 WeakPolarHBondContact O-CA 3.48Å; L105-K112 HydrophobicContact CB-CB 4.28Å; L105-K112 PolarHBondContact N-O 2.93Å; L105-K112 PolarHBondContact O-N 3.14Å |
| 106 | V | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 116.5 | 177 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | L25 E28 E29 Y111 L129 | L25-V106 HydrophobicContact CD1-CG2 4.21Å; L25-V106 HydrophobicContact CD2-CG2 4.21Å; E28-V106 WeakPolarHBondContact CA-O 3.45Å; E28-V106 PolarHBondContact N-O 3.04Å; E29-V106 PolarHBondContact O-N 2.98Å; V106-Y111 HydrophobicContact CG1-CE1 4.23Å; V106-Y111 HydrophobicContact CG2-CD1 4.15Å; V106-Y111 HydrophobicContact CG2-CE1 4.15Å; V106-L129 HydrophobicContact CG1-CD1 3.62Å; V106-L129 HydrophobicContact CG1-CD2 3.53Å; V106-L129 HydrophobicContact CG1-CG 4.22Å |
| 107 | L | 96.1 | Very high | 97 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | trans | -105.6 | 174.4 | 171.5 | -61.6 | -179.8 | 0 | 0 | 0 | 110 | L105 D109 K110 K112 H125 | L105-L107 HydrophobicContact CD1-CD2 4.31Å; L105-L107 HydrophobicContact CD2-CD2 3.92Å; L105-L107 HydrophobicContact CD2-CG 4.33Å; L105-L107 HydrophobicContact CG-CD2 3.93Å; L105-L107 HydrophobicContact CG-CG 4.2Å; L107-D109 VanDerWaalsContact C-N 3.25Å; L107-D109 PolarHBondContact O-N 2.86Å; L107-K110 WeakPolarHBondContact CA-O 3.31Å; L107-K110 HydrophobicContact CB-CG 4.21Å; L107-K110 WeakPolarHBondContact CB-O 3.34Å; L107-K110 HydrophobicContact CD1-CD 4.45Å; L107-K110 HydrophobicContact CD1-CG 4.08Å; L107-K110 PolarHBondContact N-O 3.25Å; L107-K112 HydrophobicContact CD1-CD 3.63Å; L107-K112 HydrophobicContact CD1-CG 3.94Å; L107-H125 PolarHBondContact O-NE2 3.37Å | ||
| 108 | K | 93.9 | Very high | 97 | Very high | 164 Ų | 164 | 43 Ų | 43 | 71% | 0.713 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -64 | -29.9 | 179.3 | -69.1 | -177.1 | 179.8 | 176.6 | 0 | 113.3 | P27 H125 | P27-K108 HydrophobicContact CB-CG 3.85Å; P27-K108 HydrophobicContact CG-CG 4.1Å; K108-H125 PolarHBondContact O-CD2 2.91Å |
| 109 | D | 95.7 | Very high | 97.2 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -116.8 | -12.8 | -172.4 | 66.7 | -42 | 0 | 0 | 0 | 114.1 | L107 H125 | L107-D109 VanDerWaalsContact C-N 3.25Å; L107-D109 PolarHBondContact O-N 2.86Å; D109-H125 PolarHBondContact O-N 3.02Å |
| 110 | K | 98.5 | Very high | 97.2 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 167.7 | -173.8 | 70.9 | -175.1 | 87 | -174.8 | 0 | 113.5 | L107 K112 E122 Y123 H125 | L107-K110 WeakPolarHBondContact CA-O 3.31Å; L107-K110 HydrophobicContact CB-CG 4.21Å; L107-K110 WeakPolarHBondContact CB-O 3.34Å; L107-K110 HydrophobicContact CD1-CD 4.45Å; L107-K110 HydrophobicContact CD1-CG 4.08Å; L107-K110 PolarHBondContact N-O 3.25Å; K110-K112 HydrophobicContact CD-CG 4.27Å; K110-K112 HydrophobicContact CG-CG 4.36Å; K110-E122 HydrophobicContact CD-CB 4.13Å; K110-E122 HydrophobicContact CD-CG 4.42Å; K110-E122 WeakPolarHBondContact CD-OE2 3.46Å; K110-E122 IonicContact NZ-OE2 2.78Å; K110-E122 PolarHBondContact NZ-OE2 3.39Å; K110-Y123 CarbonylContact C-O 3.27Å; K110-Y123 VanDerWaalsContact CA-O 3.23Å; K110-Y123 WeakPolarHBondContact CA-O 3.4Å; K110-Y123 VanDerWaalsContact CB-O 3.32Å; K110-Y123 WeakPolarHBondContact CB-O 3.31Å; K110-H125 PolarHBondContact N-CD2 2.94Å; K110-H125 PolarHBondContact N-NE2 2.68Å; K110-H125 PolarHBondContact O-CE1 2.95Å |
| 111 | Y | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141.7 | 159.7 | -55.6 | -80.1 | 0 | 0 | 0 | 110 | L25 F48 F62 I104 L105 V106 E122 Y123 H125 L129 | L25-Y111 HydrophobicContact CD1-CE1 4.48Å; F48-Y111 HydrophobicContact CD2-CD1 4.14Å; F48-Y111 AromaticContact CD2-CE1 3.67Å; F48-Y111 HydrophobicContact CD2-CE1 3.67Å; F48-Y111 HydrophobicContact CE2-CD1 4.04Å; F48-Y111 AromaticContact CE2-CE1 3.93Å; F48-Y111 HydrophobicContact CE2-CE1 3.93Å; F62-Y111 HydrophobicContact CB-CD2 3.84Å; F62-Y111 HydrophobicContact CB-CE2 3.54Å; F62-Y111 HydrophobicContact CD1-CD1 4.36Å; F62-Y111 AromaticContact CD1-CD2 4Å; F62-Y111 HydrophobicContact CD1-CD2 4Å; F62-Y111 HydrophobicContact CD1-CE2 4.43Å; F62-Y111 AromaticContact CD1-CG 3.95Å; F62-Y111 HydrophobicContact CD1-CG 3.95Å; F62-Y111 HydrophobicContact CD2-CD2 4.34Å; F62-Y111 HydrophobicContact CE1-CG 4.37Å; F62-Y111 AromaticContact CG-CD2 3.82Å; F62-Y111 HydrophobicContact CG-CD2 3.82Å; F62-Y111 HydrophobicContact CG-CE2 4.06Å; F62-Y111 HydrophobicContact CG-CG 4.26Å; I104-Y111 HydrophobicContact CG2-CD1 4.03Å; I104-Y111 HydrophobicContact CG2-CG 4.41Å; L105-Y111 CarbonylContact O-C 3.49Å; L105-Y111 WeakPolarHBondContact O-CA 3.48Å; V106-Y111 HydrophobicContact CG1-CE1 4.23Å; V106-Y111 HydrophobicContact CG2-CD1 4.15Å; V106-Y111 HydrophobicContact CG2-CE1 4.15Å; Y111-E122 CarbonylContact O-C 3.52Å; Y111-E122 VanDerWaalsContact O-CA 3.27Å; Y111-E122 WeakPolarHBondContact O-CA 3.34Å; Y111-Y123 HydrophobicContact CD2-CD1 4.18Å; Y111-Y123 PolarHBondContact N-O 2.79Å; Y111-Y123 PolarHBondContact O-N 3.26Å; Y111-H125 AromaticContact CD1-CE1 3.93Å; Y111-H125 AromaticContact CD2-CE1 3.61Å; Y111-H125 AromaticContact CD2-ND1 3.44Å; Y111-H125 WeakPolarHBondContact CD2-ND1 3.18Å; Y111-H125 AromaticContact CE1-CE1 3.71Å; Y111-H125 AromaticContact CE2-CE1 3.38Å; Y111-H125 WeakPolarHBondContact CE2-CE1 3.26Å; Y111-H125 AromaticContact CE2-ND1 3.06Å; Y111-H125 WeakPolarHBondContact CE2-ND1 3.39Å; Y111-H125 AromaticContact CG-CE1 3.89Å; Y111-H125 AromaticContact CZ-CE1 3.44Å; Y111-H125 VanDerWaalsContact CZ-CE1 3.44Å; Y111-H125 AromaticContact CZ-ND1 3.52Å; Y111-L129 HydrophobicContact CE1-CD1 4.29Å |
| 112 | K | 98.6 | Very high | 97.2 | Very high | 65 Ų | 65 | 45 Ų | 45 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.3 | 167.7 | -64.4 | -171.2 | 58.9 | 134.6 | 0 | 109.7 | I104 L105 L107 K110 E122 | I104-K112 CarbonylContact C-O 3.59Å; I104-K112 WeakPolarHBondContact CA-O 3.31Å; L105-K112 HydrophobicContact CB-CB 4.28Å; L105-K112 PolarHBondContact N-O 2.93Å; L105-K112 PolarHBondContact O-N 3.14Å; L107-K112 HydrophobicContact CD1-CD 3.63Å; L107-K112 HydrophobicContact CD1-CG 3.94Å; K110-K112 HydrophobicContact CD-CG 4.27Å; K110-K112 HydrophobicContact CG-CG 4.36Å; K112-E122 WeakPolarHBondContact CE-OE1 3.44Å; K112-E122 HydrophobicContact CG-CG 4.04Å; K112-E122 IonicContact NZ-OE1 3.66Å; K112-E122 PolarHBondContact NZ-OE1 2.87Å |
| 113 | V | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.4 | -173.8 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | F62 F64 L102 I103 I104 V120 L121 | F62-V113 HydrophobicContact CE1-CG2 4.04Å; F62-V113 HydrophobicContact CZ-CG2 3.86Å; F64-V113 HydrophobicContact CD2-CG1 4.49Å; F64-V113 HydrophobicContact CE2-CG1 3.9Å; F64-V113 HydrophobicContact CZ-CG1 4.32Å; L102-V113 HydrophobicContact CD1-CG1 3.44Å; L102-V113 VanDerWaalsContact CD1-CG1 3.44Å; I103-V113 WeakPolarHBondContact O-CA 3.46Å; I104-V113 HydrophobicContact CG1-CG2 4.27Å; I104-V113 HydrophobicContact CG2-CG2 4.3Å; V113-V120 PolarHBondContact O-N 3.05Å; V113-L121 HydrophobicContact CB-CD1 3.86Å; V113-L121 HydrophobicContact CB-CG 4.04Å; V113-L121 HydrophobicContact CG2-CD1 3.53Å; V113-L121 HydrophobicContact CG2-CG 4.25Å; V113-L121 PolarHBondContact N-O 3.21Å; V113-L121 PolarHBondContact O-N 2.79Å |
| 114 | A | 98.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I103 A118 | I103-A114 HydrophobicContact CB-CB 4.48Å; I103-A114 PolarHBondContact N-O 2.76Å; I103-A114 PolarHBondContact O-N 2.99Å; A114-A118 CarbonylContact C-O 3.57Å; A114-A118 WeakPolarHBondContact CA-O 3.49Å; A114-A118 WeakPolarHBondContact CB-O 3.36Å |
| 115 | V | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.4 | 173.7 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | P93 L94 E101 L102 G117 A118 V120 | P93-V115 HydrophobicContact CB-CB 4.11Å; P93-V115 HydrophobicContact CB-CG1 4.06Å; P93-V115 HydrophobicContact CG-CB 4.03Å; P93-V115 HydrophobicContact CG-CG1 4.21Å; P93-V115 HydrophobicContact CG-CG2 4.09Å; L94-V115 HydrophobicContact CD2-CG1 3.77Å; L94-V115 HydrophobicContact CG-CG1 4.3Å; E101-V115 CarbonylContact O-C 3.46Å; E101-V115 VanDerWaalsContact O-CA 3.27Å; E101-V115 WeakPolarHBondContact O-CA 3.3Å; L102-V115 HydrophobicContact CD1-CG2 3.89Å; V115-G117 VanDerWaalsContact C-N 3.28Å; V115-G117 PolarHBondContact O-N 2.81Å; V115-A118 PolarHBondContact N-O 2.82Å; V115-A118 PolarHBondContact O-N 2.83Å; V115-A118 VanDerWaalsContact O-N 3.07Å; V115-V120 HydrophobicContact CB-CG2 3.79Å; V115-V120 HydrophobicContact CG2-CG2 3.81Å |
| 116 | N | 95.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 45.1 | -179.8 | -59.2 | -28 | 0 | 0 | 0 | 112.7 | F100 E101 A118 | F100-N116 WeakPolarHBondContact CA-OD1 3.42Å; E101-N116 PolarHBondContact N-OD1 2.78Å; E101-N116 PolarHBondContact O-N 3.39Å; N116-A118 PolarHBondContact O-N 2.91Å |
| 117 | G | 88.9 | Confident | 97.2 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -5.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V115 | V115-G117 VanDerWaalsContact C-N 3.28Å; V115-G117 PolarHBondContact O-N 2.81Å |
| 118 | A | 94.6 | Very high | 97 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 47% | 0.471 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A114 V115 N116 | A114-A118 CarbonylContact C-O 3.57Å; A114-A118 WeakPolarHBondContact CA-O 3.49Å; A114-A118 WeakPolarHBondContact CB-O 3.36Å; V115-A118 PolarHBondContact N-O 2.82Å; V115-A118 PolarHBondContact O-N 2.83Å; V115-A118 VanDerWaalsContact O-N 3.07Å; N116-A118 PolarHBondContact O-N 2.91Å |
| 119 | H | 97.8 | Very high | 97 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 135.9 | 172.7 | 177.1 | -91.1 | 0 | 0 | 0 | 111 | E122 | H119-E122 WeakPolarHBondContact NE2-CG 3.43Å; H119-E122 IonicContact NE2-OE1 3.56Å |
| 120 | V | 97.8 | Very high | 96.6 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -52.9 | -174.2 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | I73 L89 P93 V113 V115 | I73-V120 HydrophobicContact CD1-CG1 3.96Å; L89-V120 HydrophobicContact CD2-CG1 3.26Å; L89-V120 WeakPolarHBondContact CD2-O 3.4Å; P93-V120 HydrophobicContact CB-CG2 4.3Å; P93-V120 HydrophobicContact CG-CG1 4.07Å; P93-V120 HydrophobicContact CG-CG2 3.86Å; V113-V120 PolarHBondContact O-N 3.05Å; V115-V120 HydrophobicContact CB-CG2 3.79Å; V115-V120 HydrophobicContact CG2-CG2 3.81Å |
| 121 | L | 98.6 | Very high | 96.2 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 163.4 | -177.2 | 60.1 | 83.4 | 0 | 0 | 0 | 112.2 | F62 F64 I73 C75 L89 V113 | F62-L121 HydrophobicContact CZ-CD1 4.32Å; F64-L121 HydrophobicContact CD2-CD2 4.47Å; F64-L121 HydrophobicContact CE2-CD2 4.15Å; I73-L121 HydrophobicContact CG2-CD2 3.96Å; C75-L121 VanDerWaalsContact SG-CD2 3.58Å; L89-L121 HydrophobicContact CB-CD2 4.36Å; L89-L121 HydrophobicContact CD2-CB 4.41Å; L89-L121 HydrophobicContact CD2-CD2 4.2Å; V113-L121 HydrophobicContact CB-CD1 3.86Å; V113-L121 HydrophobicContact CB-CG 4.04Å; V113-L121 HydrophobicContact CG2-CD1 3.53Å; V113-L121 HydrophobicContact CG2-CG 4.25Å; V113-L121 PolarHBondContact N-O 3.21Å; V113-L121 PolarHBondContact O-N 2.79Å |
| 122 | E | 98.8 | Very high | 96 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.2 | 166.4 | -53.2 | -165.4 | 160.8 | 0 | 0 | 108.9 | K110 Y111 K112 H119 | K110-E122 HydrophobicContact CD-CB 4.13Å; K110-E122 HydrophobicContact CD-CG 4.42Å; K110-E122 WeakPolarHBondContact CD-OE2 3.46Å; K110-E122 IonicContact NZ-OE2 2.78Å; K110-E122 PolarHBondContact NZ-OE2 3.39Å; Y111-E122 CarbonylContact O-C 3.52Å; Y111-E122 VanDerWaalsContact O-CA 3.27Å; Y111-E122 WeakPolarHBondContact O-CA 3.34Å; K112-E122 WeakPolarHBondContact CE-OE1 3.44Å; K112-E122 HydrophobicContact CG-CG 4.04Å; K112-E122 IonicContact NZ-OE1 3.66Å; K112-E122 PolarHBondContact NZ-OE1 2.87Å; H119-E122 WeakPolarHBondContact NE2-CG 3.43Å; H119-E122 IonicContact NE2-OE1 3.56Å |
| 123 | Y | 98.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 115.3 | 178.1 | -170.1 | -101.2 | 0 | 0 | 0 | 110.1 | F62 C75 N76 T77 E87 K110 Y111 R126 | F62-Y123 HydrophobicContact CB-CD1 4.47Å; F62-Y123 AromaticContact CD2-CD1 3.31Å; F62-Y123 HydrophobicContact CD2-CD1 3.31Å; F62-Y123 HydrophobicContact CD2-CD2 4.4Å; F62-Y123 AromaticContact CD2-CE1 3.82Å; F62-Y123 HydrophobicContact CD2-CE1 3.82Å; F62-Y123 AromaticContact CD2-CG 3.64Å; F62-Y123 HydrophobicContact CD2-CG 3.64Å; F62-Y123 AromaticContact CE2-CD1 3.8Å; F62-Y123 HydrophobicContact CE2-CD1 3.8Å; F62-Y123 HydrophobicContact CE2-CD2 4.21Å; F62-Y123 AromaticContact CE2-CG 3.59Å; F62-Y123 HydrophobicContact CE2-CG 3.59Å; F62-Y123 HydrophobicContact CG-CD1 4.16Å; C75-Y123 HydrophobicContact CB-CD2 3.6Å; C75-Y123 HydrophobicContact CB-CE2 3.73Å; C75-Y123 HydrophobicContact CB-CG 4.41Å; N76-Y123 VanDerWaalsContact CA-OH 3.27Å; N76-Y123 WeakPolarHBondContact CA-OH 3.23Å; N76-Y123 PolarHBondContact O-OH 3.3Å; T77-Y123 PolarHBondContact N-OH 2.69Å; T77-Y123 PolarHBondContact OG1-OH 3.29Å; E87-Y123 HydrophobicContact CB-CD2 4.46Å; E87-Y123 HydrophobicContact CB-CE2 4.25Å; E87-Y123 HydrophobicContact CG-CE2 4.19Å; E87-Y123 VanDerWaalsContact OE1-CE2 3.32Å; E87-Y123 WeakPolarHBondContact OE1-CE2 3.47Å; K110-Y123 CarbonylContact C-O 3.27Å; K110-Y123 VanDerWaalsContact CA-O 3.23Å; K110-Y123 WeakPolarHBondContact CA-O 3.4Å; K110-Y123 VanDerWaalsContact CB-O 3.32Å; K110-Y123 WeakPolarHBondContact CB-O 3.31Å; Y111-Y123 HydrophobicContact CD2-CD1 4.18Å; Y111-Y123 PolarHBondContact N-O 2.79Å; Y111-Y123 PolarHBondContact O-N 3.26Å; Y123-R126 WeakPolarHBondContact OH-CD 3.29Å; Y123-R126 PolarHBondContact OH-NE 2.73Å; Y123-R126 VanDerWaalsContact OH-NE 3.1Å; Y123-R126 PolarHBondContact OH-NH1 2.82Å |
| 124 | K | 98.8 | Very high | 95.1 | Very high | 144 Ų | 144 | 52.5 Ų | 52.5 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 143.1 | -179 | -69.9 | -175.8 | 179.3 | -179.6 | 0 | 110.9 | R126 | K124-R126 PolarHBondContact O-N 3.47Å |
| 125 | H | 98.2 | Very high | 95 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | trans | -61.9 | 123.5 | 175 | -63.5 | -28.2 | 0 | 0 | 0 | 110 | L107 K108 D109 K110 Y111 | L107-H125 PolarHBondContact O-NE2 3.37Å; K108-H125 PolarHBondContact O-CD2 2.91Å; D109-H125 PolarHBondContact O-N 3.02Å; K110-H125 PolarHBondContact N-CD2 2.94Å; K110-H125 PolarHBondContact N-NE2 2.68Å; K110-H125 PolarHBondContact O-CE1 2.95Å; Y111-H125 AromaticContact CD1-CE1 3.93Å; Y111-H125 AromaticContact CD2-CE1 3.61Å; Y111-H125 AromaticContact CD2-ND1 3.44Å; Y111-H125 WeakPolarHBondContact CD2-ND1 3.18Å; Y111-H125 AromaticContact CE1-CE1 3.71Å; Y111-H125 AromaticContact CE2-CE1 3.38Å; Y111-H125 WeakPolarHBondContact CE2-CE1 3.26Å; Y111-H125 AromaticContact CE2-ND1 3.06Å; Y111-H125 WeakPolarHBondContact CE2-ND1 3.39Å; Y111-H125 AromaticContact CG-CE1 3.89Å; Y111-H125 AromaticContact CZ-CE1 3.44Å; Y111-H125 VanDerWaalsContact CZ-CE1 3.44Å; Y111-H125 AromaticContact CZ-ND1 3.52Å | ||
| 126 | R | 98.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -104.3 | -19.5 | 171.5 | -57.6 | -171.9 | -174.1 | 172.3 | 2.2 | 112.4 | N76 T77 S85 E87 Y123 K124 | N76-R126 PolarHBondContact OD1-NH1 3.49Å; T77-R126 HydrophobicContact CG2-CB 4.06Å; S85-R126 PolarHBondContact O-NH1 2.64Å; S85-R126 PolarHBondContact O-NH2 3.1Å; E87-R126 IonicContact OE1-CZ 3.58Å; E87-R126 IonicContact OE1-NE 3.86Å; E87-R126 IonicContact OE1-NH2 2.7Å; E87-R126 PolarHBondContact OE1-NH2 2.87Å; Y123-R126 WeakPolarHBondContact OH-CD 3.29Å; Y123-R126 PolarHBondContact OH-NE 2.73Å; Y123-R126 VanDerWaalsContact OH-NE 3.1Å; Y123-R126 PolarHBondContact OH-NH1 2.82Å; K124-R126 PolarHBondContact O-N 3.47Å |
| 127 | V | 97.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -117.7 | 146.6 | 174.1 | 173.6 | 0 | 0 | 0 | 0 | 108 | A61 T77 E79 L129 | A61-V127 HydrophobicContact CB-CB 3.88Å; A61-V127 HydrophobicContact CB-CG1 4.19Å; A61-V127 HydrophobicContact CB-CG2 4.45Å; T77-V127 HydrophobicContact CG2-CG2 3.61Å; E79-V127 HydrophobicContact CG-CG2 3.67Å; V127-L129 PolarHBondContact O-N 3.39Å |
| 128 | D | 92.8 | Very high | 95.2 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | trans | -57.1 | 123.3 | 174.7 | -176.7 | -0.9 | 0 | 0 | 0 | 110.7 | N130 R131 | D128-N130 PolarHBondContact O-N 2.84Å; D128-N130 PolarHBondContact OD1-N 3.21Å; D128-N130 PolarHBondContact OD1-ND2 2.82Å; D128-R131 HydrophobicContact CB-CG 4.3Å; D128-R131 WeakPolarHBondContact O-CB 3.4Å; D128-R131 PolarHBondContact O-N 2.74Å; D128-R131 VanDerWaalsContact O-N 3.08Å | ||
| 129 | L | 94.2 | Very high | 95.1 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -56.2 | -32.7 | -179.3 | -179.3 | 64.4 | 0 | 0 | 0 | 112.2 | L25 P27 V106 Y111 V127 R131 V132 | L25-L129 HydrophobicContact CB-CD1 3.92Å; P27-L129 HydrophobicContact CG-CD2 3.98Å; V106-L129 HydrophobicContact CG1-CD1 3.62Å; V106-L129 HydrophobicContact CG1-CD2 3.53Å; V106-L129 HydrophobicContact CG1-CG 4.22Å; Y111-L129 HydrophobicContact CE1-CD1 4.29Å; V127-L129 PolarHBondContact O-N 3.39Å; L129-R131 PolarHBondContact O-N 3.3Å; L129-R131 VanDerWaalsContact O-N 3.1Å; L129-V132 HydrophobicContact CD1-CB 4.48Å; L129-V132 HydrophobicContact CD1-CG2 4.48Å; L129-V132 WeakPolarHBondContact O-CB 3.25Å; L129-V132 PolarHBondContact O-N 2.64Å |
| 130 | N | 87 | Confident | 95.1 | Very high | 129 Ų | 129 | 45 Ų | 45 | 69% | 0.69 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -63.2 | -18.8 | -179.2 | -63.6 | -42.4 | 0 | 0 | 0 | 113.6 | D128 V132 | D128-N130 PolarHBondContact O-N 2.84Å; D128-N130 PolarHBondContact OD1-N 3.21Å; D128-N130 PolarHBondContact OD1-ND2 2.82Å; N130-V132 VanDerWaalsContact C-N 3.33Å |
| 131 | R | 90.8 | Very high | 95.1 | Very high | 106 Ų | 106 | 44.4 Ų | 44.4 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -83.6 | -12.4 | 177 | -60.8 | 173.2 | 59.2 | -157.2 | -7.6 | 112.5 | C50 D59 D128 L129 D133 | C50-R131 VanDerWaalsContact CA-O 3.24Å; C50-R131 WeakPolarHBondContact CA-O 3.37Å; C50-R131 HydrophobicContact CB-CB 4.16Å; C50-R131 WeakPolarHBondContact CB-O 3.37Å; C50-R131 VanDerWaalsContact SG-CB 3.53Å; D59-R131 IonicContact OD2-CZ 3.65Å; D59-R131 IonicContact OD2-NH1 3.84Å; D59-R131 IonicContact OD2-NH2 3.97Å; D59-R131 PolarHBondContact OD2-NH2 3.39Å; D128-R131 HydrophobicContact CB-CG 4.3Å; D128-R131 WeakPolarHBondContact O-CB 3.4Å; D128-R131 PolarHBondContact O-N 2.74Å; D128-R131 VanDerWaalsContact O-N 3.08Å; L129-R131 PolarHBondContact O-N 3.3Å; L129-R131 VanDerWaalsContact O-N 3.1Å; R131-D133 PolarHBondContact O-N 2.99Å |
| 132 | V | 94.1 | Very high | 95 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -87.5 | 109.1 | -172.4 | -175.4 | 0 | 0 | 0 | 0 | 110 | G24 L25 F48 A61 L129 N130 | G24-V132 VanDerWaalsContact CA-O 3.31Å; G24-V132 WeakPolarHBondContact CA-O 3.23Å; L25-V132 HydrophobicContact CD1-CB 4.46Å; L25-V132 HydrophobicContact CD1-CG1 3.61Å; L25-V132 HydrophobicContact CG-CG1 4.23Å; L25-V132 PolarHBondContact N-O 2.9Å; F48-V132 HydrophobicContact CB-CG1 3.7Å; F48-V132 HydrophobicContact CG-CG1 4.36Å; A61-V132 HydrophobicContact CB-CG2 3.43Å; A61-V132 VanDerWaalsContact CB-CG2 3.43Å; L129-V132 HydrophobicContact CD1-CB 4.48Å; L129-V132 HydrophobicContact CD1-CG2 4.48Å; L129-V132 WeakPolarHBondContact O-CB 3.25Å; L129-V132 PolarHBondContact O-N 2.64Å; N130-V132 VanDerWaalsContact C-N 3.33Å | ||
| 133 | D | 89.4 | Confident | 94.9 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | trans | -131.3 | 0.4 | -173 | 65.2 | 12.5 | 0 | 0 | 0 | 113.3 | T20 I21 T49 G51 R131 | T20-D133 CarbonylContact C-O 3.51Å; T20-D133 WeakPolarHBondContact CA-O 3.17Å; I21-D133 PolarHBondContact N-O 2.79Å; T49-D133 PolarHBondContact O-N 3.41Å; G51-D133 VanDerWaalsContact CA-OD1 3.23Å; G51-D133 WeakPolarHBondContact CA-OD1 3.25Å; G51-D133 PolarHBondContact N-OD1 3.05Å; R131-D133 PolarHBondContact O-N 2.99Å | ||
| 134 | T | 87.8 | Confident | 94.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 137.6 | -171.1 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | G19 F48 T49 L136 | G19-T134 WeakPolarHBondContact O-CA 3.32Å; F48-T134 WeakPolarHBondContact CA-O 3.29Å; T49-T134 PolarHBondContact N-O 3.49Å; T49-T134 PolarHBondContact O-N 3.45Å; T49-T134 VanDerWaalsContact OG1-CB 3.26Å; T49-T134 WeakPolarHBondContact OG1-CB 3.46Å; T49-T134 WeakPolarHBondContact OG1-CG2 3.37Å; T134-L136 HydrophobicContact CG2-CD2 3.68Å; T134-L136 HydrophobicContact CG2-CG 4.16Å |
| 135 | I | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.8 | 165.4 | -175 | 177.7 | 0 | 0 | 0 | 109.5 | F17 A18 G19 I21 V31 I33 V46 D47 F48 I137 V146 | F17-I135 HydrophobicContact CE1-CG2 3.88Å; A18-I135 WeakPolarHBondContact CA-O 3.41Å; G19-I135 PolarHBondContact N-O 2.87Å; G19-I135 WeakPolarHBondContact O-CG2 3.43Å; G19-I135 PolarHBondContact O-N 2.67Å; I21-I135 HydrophobicContact CD1-CB 4.27Å; I21-I135 HydrophobicContact CG1-CG2 4.34Å; V31-I135 HydrophobicContact CG1-CD1 4.14Å; I33-I135 HydrophobicContact CD1-CD1 3.93Å; V46-I135 HydrophobicContact CG1-CD1 3.96Å; V46-I135 HydrophobicContact CG1-CG1 4.16Å; D47-I135 CarbonylContact O-C 3.53Å; D47-I135 WeakPolarHBondContact O-CA 3.32Å; F48-I135 HydrophobicContact CD1-CB 4.15Å; F48-I135 HydrophobicContact CD1-CG1 4.12Å; F48-I135 HydrophobicContact CE1-CB 4.23Å; F48-I135 HydrophobicContact CE1-CD1 3.95Å; F48-I135 HydrophobicContact CE1-CG1 4.02Å; I135-I137 HydrophobicContact CD1-CD1 4.16Å; I135-I137 HydrophobicContact CD1-CG1 4.25Å; I135-I137 HydrophobicContact CG1-CG1 4.22Å; I135-V146 HydrophobicContact CD1-CG1 3.85Å; I135-V146 HydrophobicContact CG2-CG1 4.47Å |
| 136 | L | 94.1 | Very high | 94 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.6 | 170.5 | -51.1 | 179.6 | 0 | 0 | 0 | 109.9 | F17 A18 V46 D47 T49 T134 | F17-L136 CarbonylContact O-C 3.56Å; F17-L136 VanDerWaalsContact O-CA 3.25Å; F17-L136 WeakPolarHBondContact O-CA 3.38Å; A18-L136 HydrophobicContact CB-CD2 3.33Å; V46-L136 WeakPolarHBondContact CA-O 3.43Å; D47-L136 HydrophobicContact CB-CB 4.22Å; D47-L136 PolarHBondContact N-O 2.88Å; D47-L136 PolarHBondContact O-N 2.86Å; T49-L136 HydrophobicContact CG2-CD1 3.74Å; T49-L136 HydrophobicContact CG2-CG 4.02Å; T134-L136 HydrophobicContact CG2-CD2 3.68Å; T134-L136 HydrophobicContact CG2-CG 4.16Å |
| 137 | I | 97.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.3 | 173.8 | -52.5 | 177.4 | 0 | 0 | 0 | 108.6 | I15 P16 F17 I33 Q45 V46 I135 V141 V143 V146 | I15-I137 HydrophobicContact CD1-CB 4.13Å; I15-I137 HydrophobicContact CD1-CG2 3.94Å; P16-I137 CarbonylContact C-O 3.58Å; P16-I137 VanDerWaalsContact CA-O 3.31Å; P16-I137 WeakPolarHBondContact CA-O 3.47Å; F17-I137 HydrophobicContact CB-CB 4.25Å; F17-I137 HydrophobicContact CD1-CD1 4.12Å; F17-I137 HydrophobicContact CD1-CG1 4.18Å; F17-I137 PolarHBondContact N-O 3.35Å; F17-I137 PolarHBondContact O-N 3.19Å; I33-I137 HydrophobicContact CD1-CD1 4.32Å; I33-I137 HydrophobicContact CG2-CD1 4.34Å; Q45-I137 WeakPolarHBondContact O-CA 3.36Å; V46-I137 HydrophobicContact CG1-CG1 4.45Å; V46-I137 HydrophobicContact CG2-CG1 4.29Å; V46-I137 HydrophobicContact CG2-CG2 4.43Å; I135-I137 HydrophobicContact CD1-CD1 4.16Å; I135-I137 HydrophobicContact CD1-CG1 4.25Å; I135-I137 HydrophobicContact CG1-CG1 4.22Å; I137-V141 HydrophobicContact CG2-CG1 3.8Å; I137-V143 HydrophobicContact CD1-CG1 4.49Å; I137-V143 HydrophobicContact CD1-CG2 4.21Å; I137-V143 HydrophobicContact CG2-CG2 4.13Å; I137-V146 HydrophobicContact CD1-CG2 3.69Å |
| 138 | S | 94.3 | Very high | 93.4 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 170.4 | -178.9 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | F44 Q45 | F44-S138 CarbonylContact C-O 3.49Å; F44-S138 VanDerWaalsContact CA-O 3.29Å; F44-S138 WeakPolarHBondContact CA-O 3.48Å; F44-S138 WeakPolarHBondContact CB-O 3.4Å; Q45-S138 VanDerWaalsContact CG-OG 3.24Å; Q45-S138 WeakPolarHBondContact CG-OG 3.13Å; Q45-S138 PolarHBondContact N-O 2.71Å; Q45-S138 PolarHBondContact NE2-OG 2.83Å; Q45-S138 PolarHBondContact O-N 2.97Å; Q45-S138 VanDerWaalsContact O-N 3.1Å |
| 139 | G | 94 | Very high | 93.3 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 47% | 0.474 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.3 | -163.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V141 | G139-V141 PolarHBondContact O-N 3.34Å |
| 140 | T | 97.3 | Very high | 93 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 41% | 0.405 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -87.2 | 89.2 | -172.6 | -45.4 | 0 | 0 | 0 | 0 | 110.9 | P38 A41 R43 | P38-T140 HydrophobicContact CB-CG2 4.2Å; P38-T140 HydrophobicContact CG-CG2 4.17Å; A41-T140 HydrophobicContact CB-CG2 3.7Å; R43-T140 PolarHBondContact O-N 3.41Å |
| 141 | V | 98.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | trans | -151.9 | 149.5 | 178.7 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | I15 F44 F100 I137 G139 V143 | I15-V141 HydrophobicContact CG1-CG1 4.35Å; I15-V141 HydrophobicContact CG2-CG1 4.32Å; F44-V141 HydrophobicContact CB-CB 3.73Å; F44-V141 HydrophobicContact CB-CG1 3.81Å; F44-V141 HydrophobicContact CD1-CB 4.11Å; F44-V141 HydrophobicContact CD1-CG2 4.33Å; F44-V141 HydrophobicContact CD2-CB 4.07Å; F44-V141 HydrophobicContact CD2-CG1 4.14Å; F44-V141 HydrophobicContact CD2-CG2 4.14Å; F44-V141 HydrophobicContact CE1-CG2 4.48Å; F44-V141 HydrophobicContact CE2-CG2 4.31Å; F44-V141 HydrophobicContact CG-CB 3.72Å; F44-V141 HydrophobicContact CG-CG1 4.09Å; F44-V141 HydrophobicContact CG-CG2 4.14Å; F44-V141 HydrophobicContact CZ-CG2 4.47Å; F100-V141 HydrophobicContact CE1-CG2 3.77Å; F100-V141 HydrophobicContact CZ-CG2 3.82Å; I137-V141 HydrophobicContact CG2-CG1 3.8Å; G139-V141 PolarHBondContact O-N 3.34Å; V141-V143 HydrophobicContact CG1-CG2 4.35Å; V141-V143 HydrophobicContact CG2-CG2 4.28Å | ||
| 142 | E | 95.3 | Very high | 91.8 | Very high | 104 Ų | 104 | 30.3 Ų | 30.3 | 49% | 0.486 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136 | 167 | -75.1 | 166.7 | -176.7 | 0 | 0 | 108.6 | G35 S36 P38 | G35-E142 CarbonylContact C-O 3.59Å; G35-E142 WeakPolarHBondContact CA-O 3.34Å; S36-E142 PolarHBondContact N-O 3.13Å; S36-E142 PolarHBondContact O-N 3.22Å; S36-E142 WeakPolarHBondContact OG-CB 3.34Å; S36-E142 PolarHBondContact OG-OE2 3.14Å; P38-E142 HydrophobicContact CG-CG 3.99Å |
| 143 | V | 96.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.9 | -178.1 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | P13 I15 I33 I137 V141 V146 | P13-V143 WeakPolarHBondContact CD-O 3.32Å; P13-V143 HydrophobicContact CG-CB 4.02Å; P13-V143 HydrophobicContact CG-CG1 3.68Å; I15-V143 HydrophobicContact CD1-CB 4.25Å; I15-V143 HydrophobicContact CD1-CG2 3.84Å; I15-V143 HydrophobicContact CG1-CG2 4.46Å; I33-V143 HydrophobicContact CG2-CG1 4.16Å; I137-V143 HydrophobicContact CD1-CG1 4.49Å; I137-V143 HydrophobicContact CD1-CG2 4.21Å; I137-V143 HydrophobicContact CG2-CG2 4.13Å; V141-V143 HydrophobicContact CG1-CG2 4.35Å; V141-V143 HydrophobicContact CG2-CG2 4.28Å; V143-V146 HydrophobicContact CG1-CG2 3.73Å |
| 144 | Q | 92.6 | Very high | 87.9 | Confident | 75 Ų | 75 | 36.8 Ų | 36.8 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -33.7 | 175.4 | -62.9 | 85.2 | 13.4 | 0 | 0 | 111.7 | N12 Q34 G35 S36 | N12-Q144 PolarHBondContact N-O 2.76Å; N12-Q144 PolarHBondContact OD1-O 2.78Å; Q34-Q144 VanDerWaalsContact C-OE1 3.27Å; Q34-Q144 PolarHBondContact O-N 3.26Å; Q34-Q144 PolarHBondContact O-OE1 2.86Å; Q34-Q144 VanDerWaalsContact O-OE1 3.14Å; G35-Q144 VanDerWaalsContact N-OE1 3.09Å; S36-Q144 PolarHBondContact OG-NE2 2.94Å; S36-Q144 VanDerWaalsContact OG-NE2 3.08Å |
| 145 | A | 90.3 | Very high | 85.4 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 143.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F10 I33 Q34 | F10-A145 WeakPolarHBondContact O-CA 3.06Å; I33-A145 WeakPolarHBondContact CA-O 3.4Å; Q34-A145 HydrophobicContact CB-CB 4.41Å; Q34-A145 PolarHBondContact N-O 2.9Å; Q34-A145 PolarHBondContact O-N 3.19Å |
| 146 | V | 95 | Very high | 82.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.2 | 160.6 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | V9 F10 P13 F17 V31 L32 I33 I135 I137 V143 | V9-V146 CarbonylContact C-O 3.51Å; V9-V146 WeakPolarHBondContact CA-O 3.39Å; F10-V146 HydrophobicContact CB-CB 4.25Å; F10-V146 HydrophobicContact CD2-CB 4.01Å; F10-V146 HydrophobicContact CD2-CG1 4.13Å; F10-V146 PolarHBondContact N-O 3.14Å; F10-V146 PolarHBondContact O-N 2.85Å; P13-V146 HydrophobicContact CG-CG2 4.46Å; F17-V146 HydrophobicContact CE1-CG2 4.27Å; V31-V146 HydrophobicContact CG1-CG1 4.21Å; L32-V146 CarbonylContact O-C 3.53Å; L32-V146 VanDerWaalsContact O-CA 3.31Å; L32-V146 WeakPolarHBondContact O-CA 3.46Å; I33-V146 HydrophobicContact CG1-CG1 4.28Å; I33-V146 HydrophobicContact CG1-CG2 4.33Å; I33-V146 HydrophobicContact CG2-CG2 4.43Å; I135-V146 HydrophobicContact CD1-CG1 3.85Å; I135-V146 HydrophobicContact CG2-CG1 4.47Å; I137-V146 HydrophobicContact CD1-CG2 3.69Å; V143-V146 HydrophobicContact CG1-CG2 3.73Å |
| 147 | A | 90.3 | Very high | 79.6 | Confident | 7 Ų | 7 | 50 Ų | 50 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P6 Q8 V9 V31 L32 | P6-A147 HydrophobicContact CB-CB 4.04Å; Q8-A147 CarbonylContact O-C 3.57Å; Q8-A147 WeakPolarHBondContact O-CA 3.18Å; V9-A147 HydrophobicContact CG2-CB 4.16Å; V31-A147 CarbonylContact C-O 3.45Å; V31-A147 WeakPolarHBondContact CA-O 3.49Å; L32-A147 HydrophobicContact CB-CB 4.33Å; L32-A147 PolarHBondContact N-O 3.32Å; L32-A147 PolarHBondContact O-N 2.78Å |
| 148 | V | 92.8 | Very high | 76.7 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 116 | 171.5 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | P6 R7 Q8 I21 E29 M30 | P6-V148 CarbonylContact C-O 3.59Å; P6-V148 WeakPolarHBondContact CA-O 3.14Å; R7-V148 HydrophobicContact CG-CB 4.2Å; R7-V148 HydrophobicContact CG-CG1 4.21Å; R7-V148 PolarHBondContact N-O 2.57Å; Q8-V148 HydrophobicContact CB-CB 4.33Å; Q8-V148 HydrophobicContact CB-CG2 4.39Å; Q8-V148 PolarHBondContact O-N 3.47Å; I21-V148 HydrophobicContact CG2-CG2 4.3Å; E29-V148 HydrophobicContact CB-CG1 4.48Å; M30-V148 CarbonylContact O-C 3.58Å; M30-V148 WeakPolarHBondContact O-CA 3.26Å |
| 149 | L | 91.2 | Very high | 73.9 | Confident | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 133.5 | -176.8 | -55.8 | 172.9 | 0 | 0 | 0 | 109.5 | P6 E29 M30 L32 | P6-L149 HydrophobicContact CB-CD2 3.75Å; E29-L149 WeakPolarHBondContact CA-O 3.47Å; E29-L149 WeakPolarHBondContact CB-O 3.27Å; M30-L149 HydrophobicContact CB-CB 4.2Å; M30-L149 HydrophobicContact CB-CD1 4.31Å; M30-L149 PolarHBondContact N-O 3.23Å; M30-L149 PolarHBondContact O-N 3.24Å; L32-L149 HydrophobicContact CB-CD1 4.23Å |
| 150 | P | 87.5 | Confident | 70.9 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 167 | 175.8 | 31.6 | -35.8 | 0 | 0 | 0 | 111.4 | N5 A152 | N5-P150 VanDerWaalsContact O-CD 3.3Å; N5-P150 WeakPolarHBondContact O-CD 3.48Å; P150-A152 PolarHBondContact O-N 3.08Å |
| 151 | P | 83.6 | Confident | 67.9 | Low | 26 Ų | 26 | 64.3 Ų | 64.3 | 17% | 0.169 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 137.7 | 175.5 | -22.7 | 33.4 | 0 | 0 | 0 | 111.7 | E28 S153 S154 | E28-P151 HydrophobicContact CB-CB 3.82Å; E28-P151 HydrophobicContact CB-CG 3.85Å; P151-S153 PolarHBondContact O-N 2.88Å; P151-S154 PolarHBondContact O-N 2.84Å; P151-S154 VanDerWaalsContact O-N 3.1Å |
| 152 | A | 68.7 | Low | 64.7 | Low | 100 Ų | 100 | 71.8 Ų | 71.8 | 83% | 0.826 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -14 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | P150 | P150-A152 PolarHBondContact O-N 3.08Š|
| 153 | S | 57.7 | Low | 61.5 | Low | 92 Ų | 92 | 72.9 Ų | 72.9 | 64% | 0.643 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 1.6 | -179.1 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | P151 P155 | P151-S153 PolarHBondContact O-N 2.88Å; S153-P155 WeakPolarHBondContact O-CD 3.31Å |
| 154 | S | 43.2 | Very low | 58.7 | Low | 71 Ų | 71 | 78 Ų | 78 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -71.7 | 118.9 | 174.2 | -64.8 | 0 | 0 | 0 | 0 | 109 | P151 A156 | P151-S154 PolarHBondContact O-N 2.84Å; P151-S154 VanDerWaalsContact O-N 3.1Å; S154-A156 PolarHBondContact O-N 3.47Å; S154-A156 VanDerWaalsContact O-N 3.14Å |
| 155 | P | 36.6 | Very low | 55.7 | Low | 118 Ų | 118 | 82.9 Ų | 82.9 | 77% | 0.766 | 55% | 0.55 | S | S | * | * | trans | -59.8 | 125 | 171.6 | 10.2 | -5.9 | 0 | 0 | 0 | 107.3 | S153 S157 | S153-P155 WeakPolarHBondContact O-CD 3.31Å; P155-S157 PolarHBondContact O-N 2.89Å | ||
| 156 | A | 37.4 | Very low | 53.3 | Low | 96 Ų | 96 | 88.1 Ų | 88.1 | 79% | 0.793 | 59% | 0.586 | S | S | * | * | trans | -53.6 | 112.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | S154 | S154-A156 PolarHBondContact O-N 3.47Å; S154-A156 VanDerWaalsContact O-N 3.14Å | ||
| 157 | S | 32.8 | Very low | 50.2 | Low | 108 Ų | 108 | 92.1 Ų | 92.1 | 76% | 0.755 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.2 | 166.3 | -66.2 | 0 | 0 | 0 | 0 | 107.7 | P155 A159 | P155-S157 PolarHBondContact O-N 2.89Å; S157-A159 PolarHBondContact O-N 2.91Å |
| 158 | P | 35.4 | Very low | 47.7 | Very low | 128 Ų | 128 | 97.3 Ų | 97.3 | 83% | 0.831 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 119.4 | -175.8 | 23.4 | -30.6 | 0 | 0 | 0 | 108.6 | S160 | P158-S160 PolarHBondContact O-N 3.19Å; P158-S160 VanDerWaalsContact O-N 3.16Å |
| 159 | A | 34.7 | Very low | 44.6 | Very low | 97 Ų | 97 | 102.9 Ų | 102.9 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 117.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | S157 S161 | S157-A159 PolarHBondContact O-N 2.91Å; A159-S161 PolarHBondContact O-N 3.07Å; A159-S161 VanDerWaalsContact O-N 3.09Å |
| 160 | S | 32.7 | Very low | 42 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | trans | -60.7 | 111.9 | 160.8 | 48.2 | 0 | 0 | 0 | 0 | 107.5 | P158 L162 | P158-S160 PolarHBondContact O-N 3.19Å; P158-S160 VanDerWaalsContact O-N 3.16Å; S160-L162 PolarHBondContact O-N 3.43Å | ||
| 161 | S | 33.5 | Very low | 39.6 | Very low | 111 Ų | 111 | 111.1 Ų | 111.1 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -47.4 | 117.9 | 172.1 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | A159 | A159-S161 PolarHBondContact O-N 3.07Å; A159-S161 VanDerWaalsContact O-N 3.09Å | ||
| 162 | L | 31.3 | Very low | 37.3 | Very low | 167 Ų | 167 | 113.8 Ų | 113.8 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -128.6 | 119.4 | 149.1 | -80 | 168.9 | 0 | 0 | 0 | 108 | S160 | S160-L162 PolarHBondContact O-N 3.43Š| ||
| 163 | T | 28.6 | Very low | 36.1 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -38.8 | 135.9 | 178.5 | 38.1 | 0 | 0 | 0 | 0 | 114.3 | Q165 | T163-Q165 PolarHBondContact O-N 2.84Å; T163-Q165 VanDerWaalsContact O-N 3.14Å | ||
| 164 | S | 36.2 | Very low | 35.5 | Very low | 120 Ų | 120 | 114.8 Ų | 114.8 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | trans | -52.1 | 110.1 | 163.7 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 165 | Q | 29.9 | Very low | 35.6 | Very low | 177 Ų | 177 | 115 Ų | 115 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | -118.2 | 124 | 144.1 | -74.4 | -170 | 3.8 | 0 | 0 | 107.4 | T163 S167 | T163-Q165 PolarHBondContact O-N 2.84Å; T163-Q165 VanDerWaalsContact O-N 3.14Å; Q165-S167 PolarHBondContact O-N 2.81Å; Q165-S167 VanDerWaalsContact O-N 3.1Å | ||
| 166 | S | 40.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 111.1 Ų | 111.1 | 90% | 0.895 | 71% | 0.705 | S | S | * | * | trans | -56 | 106.6 | 173.5 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 167 | S | 29.9 | Very low | 37.8 | Very low | 85 Ų | 85 | 117.7 Ų | 117.7 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | trans | -135.4 | 130.1 | 149.7 | 60.7 | 0 | 0 | 0 | 0 | 107.7 | Q165 D169 | Q165-S167 PolarHBondContact O-N 2.81Å; Q165-S167 VanDerWaalsContact O-N 3.1Å; S167-D169 PolarHBondContact O-N 2.92Å; S167-D169 PolarHBondContact OG-OD1 2.82Å | ||
| 168 | S | 38.3 | Very low | 40 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | trans | -62.4 | 80.7 | 170.7 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | S170 | S168-S170 PolarHBondContact O-N 3.36Š| ||
| 169 | D | 27.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | trans | -81 | 80.8 | 167.3 | -83.2 | 18.3 | 0 | 0 | 0 | 107 | S167 E171 | S167-D169 PolarHBondContact O-N 2.92Å; S167-D169 PolarHBondContact OG-OD1 2.82Å; D169-E171 PolarHBondContact O-N 2.82Å | ||
| 170 | S | 36.3 | Very low | 45.5 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | trans | -52.9 | 92.7 | 150.4 | -64.1 | 0 | 0 | 0 | 0 | 106.4 | S168 A172 | S168-S170 PolarHBondContact O-N 3.36Å; S170-A172 VanDerWaalsContact C-N 3.32Å; S170-A172 PolarHBondContact O-N 3.17Å | ||
| 171 | E | 36.8 | Very low | 48.5 | Very low | 128 Ų | 128 | 113 Ų | 113 | 60% | 0.598 | 64% | 0.641 | S | S | * | * | trans | -55.8 | 106.9 | 166.1 | -80.8 | -144.9 | 144.3 | 0 | 0 | 105.2 | D169 I173 | D169-E171 PolarHBondContact O-N 2.82Å; E171-I173 PolarHBondContact O-N 2.95Å | ||
| 172 | A | 35.2 | Very low | 51.5 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | trans | -62 | 90 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | S170 L174 | S170-A172 VanDerWaalsContact C-N 3.32Å; S170-A172 PolarHBondContact O-N 3.17Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.37Å | ||
| 173 | I | 42.4 | Very low | 54.5 | Low | 153 Ų | 153 | 105 Ų | 105 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | trans | -63.9 | 102 | 167.4 | -62.4 | 171.3 | 0 | 0 | 0 | 104.5 | E171 S175 | E171-I173 PolarHBondContact O-N 2.95Å; I173-S175 PolarHBondContact O-N 3.39Å | ||
| 174 | L | 45.1 | Very low | 57.6 | Low | 60 Ų | 60 | 105.8 Ų | 105.8 | 31% | 0.314 | 58% | 0.584 | S | S | . | * | trans | -61.1 | 86.6 | 173.9 | -70.3 | 162.9 | 0 | 0 | 0 | 108.4 | A172 F176 R186 | A172-L174 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.37Å; L174-F176 HydrophobicContact CB-CE1 4.42Å; L174-F176 HydrophobicContact CB-CE2 4.08Å; L174-F176 HydrophobicContact CB-CZ 4.02Å; L174-F176 HydrophobicContact CD1-CZ 4.02Å; L174-F176 HydrophobicContact CD2-CE1 4.29Å; L174-F176 HydrophobicContact CD2-CZ 4.42Å; L174-F176 HydrophobicContact CG-CZ 4.39Å; L174-F176 PolarHBondContact O-N 3.44Å; L174-R186 WeakPolarHBondContact CD1-O 3.35Å | ||
| 175 | S | 46.9 | Very low | 60.2 | Low | 75 Ų | 75 | 100.2 Ų | 100.2 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | trans | -78.8 | 101.7 | 157.1 | 91 | 0 | 0 | 0 | 0 | 105.4 | I173 R177 | I173-S175 PolarHBondContact O-N 3.39Å; S175-R177 VanDerWaalsContact C-N 3.32Å; S175-R177 PolarHBondContact O-N 3.49Å; S175-R177 WeakPolarHBondContact OG-CG 3.35Å | ||
| 176 | F | 61.2 | Low | 63.1 | Low | 37 Ų | 37 | 99.7 Ų | 99.7 | 16% | 0.162 | 54% | 0.536 | C | S | . | . | trans | -66.8 | 97.2 | 171 | -66.3 | -69.7 | 0 | 0 | 0 | 108.1 | L174 D178 L179 F183 V310 | L174-F176 HydrophobicContact CB-CE1 4.42Å; L174-F176 HydrophobicContact CB-CE2 4.08Å; L174-F176 HydrophobicContact CB-CZ 4.02Å; L174-F176 HydrophobicContact CD1-CZ 4.02Å; L174-F176 HydrophobicContact CD2-CE1 4.29Å; L174-F176 HydrophobicContact CD2-CZ 4.42Å; L174-F176 HydrophobicContact CG-CZ 4.39Å; L174-F176 PolarHBondContact O-N 3.44Å; F176-D178 PolarHBondContact O-N 3.09Å; F176-L179 HydrophobicContact CB-CD2 3.94Å; F176-L179 WeakPolarHBondContact O-CD2 3.41Å; F176-F183 HydrophobicContact CB-CE2 3.65Å; F176-F183 HydrophobicContact CB-CZ 3.75Å; F176-F183 HydrophobicContact CD1-CE2 4.02Å; F176-F183 AromaticContact CD1-CZ 3.63Å; F176-F183 HydrophobicContact CD1-CZ 3.63Å; F176-F183 HydrophobicContact CD2-CE2 4.48Å; F176-F183 AromaticContact CD2-CZ 3.69Å; F176-F183 HydrophobicContact CD2-CZ 3.69Å; F176-F183 HydrophobicContact CE1-CZ 4.13Å; F176-F183 HydrophobicContact CE2-CZ 4.15Å; F176-F183 AromaticContact CG-CE2 3.81Å; F176-F183 HydrophobicContact CG-CE2 3.81Å; F176-F183 AromaticContact CG-CZ 3.39Å; F176-F183 HydrophobicContact CG-CZ 3.39Å; F176-F183 HydrophobicContact CZ-CZ 4.36Å; F176-V310 HydrophobicContact CD2-CB 3.94Å; F176-V310 HydrophobicContact CD2-CG1 3.67Å; F176-V310 HydrophobicContact CE2-CG1 3.87Å | ||
| 177 | R | 58.7 | Low | 65.4 | Low | 234 Ų | 234 | 94 Ų | 94 | 88% | 0.883 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -71.7 | -20.4 | -173.5 | -67 | -171.4 | 178.1 | -173.9 | 0.1 | 112.9 | S175 | S175-R177 VanDerWaalsContact C-N 3.32Å; S175-R177 PolarHBondContact O-N 3.49Å; S175-R177 WeakPolarHBondContact OG-CG 3.35Å |
| 178 | D | 78.4 | Confident | 67.7 | Low | 101 Ų | 101 | 96.2 Ų | 96.2 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | trans | -113.6 | 111.1 | 172.8 | -166.7 | -2.7 | 0 | 0 | 0 | 109.7 | F176 K180 F183 | F176-D178 PolarHBondContact O-N 3.09Å; D178-K180 WeakPolarHBondContact OD1-CB 3.37Å; D178-K180 VanDerWaalsContact OD1-CG 3.24Å; D178-K180 WeakPolarHBondContact OD1-CG 3.39Å; D178-K180 PolarHBondContact OD1-N 3.16Å; D178-F183 WeakPolarHBondContact O-CD2 3.45Å; D178-F183 WeakPolarHBondContact O-CE2 3.24Å | ||
| 179 | L | 91.4 | Very high | 69.8 | Low | 42 Ų | 42 | 97.6 Ų | 97.6 | 22% | 0.22 | 49% | 0.488 | C | S | . | . | trans | -103.7 | 17.9 | -177.4 | -64.7 | -180 | 0 | 0 | 0 | 112.1 | F176 F183 L307 M308 V310 | F176-L179 HydrophobicContact CB-CD2 3.94Å; F176-L179 WeakPolarHBondContact O-CD2 3.41Å; L179-F183 HydrophobicContact CD2-CD2 4.47Å; L179-F183 HydrophobicContact CD2-CE2 4.2Å; L179-L307 HydrophobicContact CB-CB 3.9Å; L179-M308 VanDerWaalsContact CD1-C 3.45Å; L179-M308 VanDerWaalsContact CD1-O 3.31Å; L179-M308 WeakPolarHBondContact CD1-O 3.41Å; L179-V310 HydrophobicContact CD2-CB 4.16Å; L179-V310 HydrophobicContact CD2-CG2 3.96Å | ||
| 180 | K | 93.6 | Very high | 72.5 | Confident | 159 Ų | 159 | 92.4 Ų | 92.4 | 69% | 0.691 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 136.8 | 176.5 | -76.8 | 175.4 | -178.6 | 177.3 | 0 | 111.6 | D178 P182 F183 | D178-K180 WeakPolarHBondContact OD1-CB 3.37Å; D178-K180 VanDerWaalsContact OD1-CG 3.24Å; D178-K180 WeakPolarHBondContact OD1-CG 3.39Å; D178-K180 PolarHBondContact OD1-N 3.16Å; K180-P182 CarbonylContact O-C 3.53Å; K180-P182 VanDerWaalsContact O-O 3.13Å; K180-F183 WeakPolarHBondContact O-CA 3.35Å; K180-F183 WeakPolarHBondContact O-CB 3.14Å; K180-F183 PolarHBondContact O-N 3.16Å |
| 181 | V | 95.7 | Very high | 75 | Confident | 46 Ų | 46 | 87.5 Ų | 87.5 | 28% | 0.279 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -95.2 | 130 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | V305 L307 | V181-V305 HydrophobicContact CG1-CG1 4.38Å; V181-V305 HydrophobicContact CG2-CG1 4.26Å; V181-V305 WeakPolarHBondContact CG2-O 3.43Å; V181-L307 HydrophobicContact CG2-CD1 3.99Å; V181-L307 HydrophobicContact CG2-CG 3.89Å |
| 182 | P | 96.5 | Very high | 77.5 | Confident | 102 Ų | 102 | 87.2 Ų | 87.2 | 66% | 0.662 | 42% | 0.424 | S | S | * | . | S | Bend | cis | -69.5 | 127 | 5.2 | 30.7 | -35.8 | 0 | 0 | 0 | 112.5 | K180 V301 V302 | K180-P182 CarbonylContact O-C 3.53Å; K180-P182 VanDerWaalsContact O-O 3.13Å; P182-V301 CarbonylContact C-O 3.55Å; P182-V301 WeakPolarHBondContact CA-O 3.42Å; P182-V302 HydrophobicContact CB-CG1 3.9Å |
| 183 | F | 95 | Very high | 80.1 | Confident | 6 Ų | 6 | 87.6 Ų | 87.6 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137 | -177.4 | 168.3 | -95.7 | 0 | 0 | 0 | 109.4 | F176 D178 L179 K180 L299 E300 V301 L307 V310 | F176-F183 HydrophobicContact CB-CE2 3.65Å; F176-F183 HydrophobicContact CB-CZ 3.75Å; F176-F183 HydrophobicContact CD1-CE2 4.02Å; F176-F183 AromaticContact CD1-CZ 3.63Å; F176-F183 HydrophobicContact CD1-CZ 3.63Å; F176-F183 HydrophobicContact CD2-CE2 4.48Å; F176-F183 AromaticContact CD2-CZ 3.69Å; F176-F183 HydrophobicContact CD2-CZ 3.69Å; F176-F183 HydrophobicContact CE1-CZ 4.13Å; F176-F183 HydrophobicContact CE2-CZ 4.15Å; F176-F183 AromaticContact CG-CE2 3.81Å; F176-F183 HydrophobicContact CG-CE2 3.81Å; F176-F183 AromaticContact CG-CZ 3.39Å; F176-F183 HydrophobicContact CG-CZ 3.39Å; F176-F183 HydrophobicContact CZ-CZ 4.36Å; D178-F183 WeakPolarHBondContact O-CD2 3.45Å; D178-F183 WeakPolarHBondContact O-CE2 3.24Å; L179-F183 HydrophobicContact CD2-CD2 4.47Å; L179-F183 HydrophobicContact CD2-CE2 4.2Å; K180-F183 WeakPolarHBondContact O-CA 3.35Å; K180-F183 WeakPolarHBondContact O-CB 3.14Å; K180-F183 PolarHBondContact O-N 3.16Å; F183-L299 HydrophobicContact CE1-CD2 4.09Å; F183-L299 HydrophobicContact CE1-CG 4.24Å; F183-E300 CarbonylContact O-C 3.19Å; F183-E300 VanDerWaalsContact O-CA 3.26Å; F183-E300 WeakPolarHBondContact O-CA 3.31Å; F183-V301 HydrophobicContact CB-CB 4.21Å; F183-V301 HydrophobicContact CD1-CB 4.3Å; F183-V301 HydrophobicContact CD1-CG2 4.05Å; F183-V301 PolarHBondContact N-O 2.97Å; F183-V301 PolarHBondContact O-N 2.93Å; F183-L307 HydrophobicContact CB-CD1 3.46Å; F183-L307 VanDerWaalsContact CB-CD1 3.46Å; F183-L307 HydrophobicContact CD1-CD1 3.94Å; F183-L307 HydrophobicContact CD2-CD1 4.14Å; F183-L307 HydrophobicContact CG-CD1 3.55Å; F183-V310 HydrophobicContact CE1-CG1 4.05Å; F183-V310 HydrophobicContact CE1-CG2 4.32Å; F183-V310 HydrophobicContact CZ-CB 4.43Å; F183-V310 HydrophobicContact CZ-CG1 4.22Å |
| 184 | R | 93.3 | Very high | 82.1 | Confident | 143 Ų | 143 | 82.2 Ų | 82.2 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 121.2 | 171.3 | -74.5 | -173.3 | 172.7 | -140.7 | 5.2 | 110.6 | L299 E300 | R184-L299 CarbonylContact C-O 3.55Å; R184-L299 WeakPolarHBondContact CA-O 3.38Å; R184-E300 HydrophobicContact CG-CB 4.21Å; R184-E300 HydrophobicContact CG-CG 4.31Å; R184-E300 IonicContact CZ-OE1 3.13Å; R184-E300 IonicContact NE-OE1 2.98Å; R184-E300 PolarHBondContact NE-OE1 3.26Å; R184-E300 IonicContact NH2-OE1 2.67Å; R184-E300 PolarHBondContact NH2-OE1 3.04Å |
| 185 | G | 90.6 | Very high | 84.1 | Confident | 4 Ų | 4 | 83.2 Ų | 83.2 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q298 L299 | G185-Q298 CarbonylContact O-C 3.59Å; G185-Q298 VanDerWaalsContact O-CA 3.32Å; G185-Q298 WeakPolarHBondContact O-CA 3.43Å; G185-L299 PolarHBondContact N-O 3.26Å; G185-L299 PolarHBondContact O-N 2.54Å |
| 186 | R | 90.6 | Very high | 86.2 | Confident | 166 Ų | 166 | 79.7 Ų | 79.7 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 139.6 | 176.6 | -161.2 | 177.8 | -164.6 | -149.4 | 8.3 | 111.1 | L174 E188 | L174-R186 WeakPolarHBondContact CD1-O 3.35Å; R186-E188 HydrophobicContact CG-CG 4.24Å; R186-E188 IonicContact CZ-OE1 4Å; R186-E188 IonicContact NH1-OE1 2.98Å; R186-E188 PolarHBondContact NH1-OE1 2.99Å |
| 187 | L | 89.1 | Confident | 87.8 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | trans | -114.3 | 82.2 | 175.4 | -56.9 | 173.7 | 0 | 0 | 0 | 108.6 | K189 G190 L191 I197 V296 G297 M312 | L187-K189 VanDerWaalsContact C-N 3.27Å; L187-K189 PolarHBondContact O-N 2.85Å; L187-K189 VanDerWaalsContact O-N 3.16Å; L187-G190 PolarHBondContact O-N 2.87Å; L187-G190 VanDerWaalsContact O-N 3.09Å; L187-L191 HydrophobicContact CD1-CD2 4.13Å; L187-L191 HydrophobicContact CD1-CG 4.48Å; L187-I197 HydrophobicContact CD1-CD1 4.14Å; L187-V296 HydrophobicContact CD1-CG1 4.12Å; L187-G297 PolarHBondContact N-O 2.89Å; L187-M312 HydrophobicContact CD2-SD 4.22Å | ||
| 188 | E | 78.3 | Confident | 89.4 | Confident | 131 Ų | 131 | 67 Ų | 67 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.8 | -164.8 | -59.4 | -153.3 | 134.1 | 0 | 0 | 115.2 | R186 | R186-E188 HydrophobicContact CG-CG 4.24Å; R186-E188 IonicContact CZ-OE1 4Å; R186-E188 IonicContact NH1-OE1 2.98Å; R186-E188 PolarHBondContact NH1-OE1 2.99Å |
| 189 | K | 82.4 | Confident | 90.3 | Very high | 146 Ų | 146 | 62.2 Ų | 62.2 | 64% | 0.635 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 15.3 | 179.7 | -62.9 | -174.4 | -179 | 178.5 | 0 | 113 | L187 | L187-K189 VanDerWaalsContact C-N 3.27Å; L187-K189 PolarHBondContact O-N 2.85Å; L187-K189 VanDerWaalsContact O-N 3.16Å |
| 190 | G | 85.1 | Confident | 90.5 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | trans | 66.3 | -167.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L187 S294 V296 | L187-G190 PolarHBondContact O-N 2.87Å; L187-G190 VanDerWaalsContact O-N 3.09Å; G190-S294 WeakPolarHBondContact CA-O 3.2Å; G190-V296 VanDerWaalsContact CA-O 3.28Å; G190-V296 WeakPolarHBondContact CA-O 3.34Å | ||
| 191 | L | 89.5 | Confident | 90.5 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | trans | -94.1 | 150.1 | 170 | -65.1 | -176.4 | 0 | 0 | 0 | 111.5 | L187 I197 L214 F274 L293 V296 M312 | L187-L191 HydrophobicContact CD1-CD2 4.13Å; L187-L191 HydrophobicContact CD1-CG 4.48Å; L191-I197 HydrophobicContact CD2-CD1 3.9Å; L191-I197 HydrophobicContact CD2-CG1 4.32Å; L191-L214 HydrophobicContact CD1-CD1 3.82Å; L191-F274 HydrophobicContact CD1-CE1 3.78Å; L191-F274 HydrophobicContact CD1-CZ 4.25Å; L191-L293 HydrophobicContact CB-CB 4.23Å; L191-L293 PolarHBondContact N-O 3.49Å; L191-L293 CarbonylContact O-C 3.55Å; L191-V296 HydrophobicContact CB-CB 4.45Å; L191-V296 HydrophobicContact CD1-CB 4.05Å; L191-V296 HydrophobicContact CD1-CG1 3.7Å; L191-V296 HydrophobicContact CD1-CG2 4.31Å; L191-V296 HydrophobicContact CG-CB 3.94Å; L191-V296 HydrophobicContact CG-CG1 3.88Å; L191-M312 HydrophobicContact CD2-CE 3.52Å; L191-M312 HydrophobicContact CD2-SD 4.39Å | ||
| 192 | K | 88.7 | Confident | 90.5 | Very high | 122 Ų | 122 | 55.9 Ų | 55.9 | 53% | 0.53 | 27% | 0.269 | S | S | . | . | trans | -129.3 | 148.6 | 174.9 | -66.6 | -178.2 | -178.9 | -177.8 | 0 | 109.7 | G194 R195 | K192-G194 PolarHBondContact O-N 2.8Å; K192-R195 HydrophobicContact CB-CG 4.03Å; K192-R195 WeakPolarHBondContact O-CB 3.41Å; K192-R195 PolarHBondContact O-N 2.79Å | ||
| 193 | V | 90 | Very high | 90.5 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 53% | 0.533 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 133.8 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | R195 C269 A271 L293 | V193-R195 VanDerWaalsContact C-N 3.33Å; V193-C269 CarbonylContact C-O 3.56Å; V193-C269 WeakPolarHBondContact CA-O 3.35Å; V193-A271 HydrophobicContact CG1-CB 4.25Å; V193-A271 HydrophobicContact CG2-CB 4.48Å; V193-L293 HydrophobicContact CG2-CD1 4.12Å |
| 194 | G | 84.4 | Confident | 90.6 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -16.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K192 C269 | K192-G194 PolarHBondContact O-N 2.8Å; G194-C269 PolarHBondContact N-O 2.79Å |
| 195 | R | 86.7 | Confident | 90.6 | Very high | 81 Ų | 81 | 50.8 Ų | 50.8 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | trans | -78.3 | 149.9 | 177 | -65.9 | -68.4 | -170.1 | 151.4 | 6 | 111.3 | K192 V193 C269 M312 T313 | K192-R195 HydrophobicContact CB-CG 4.03Å; K192-R195 WeakPolarHBondContact O-CB 3.41Å; K192-R195 PolarHBondContact O-N 2.79Å; V193-R195 VanDerWaalsContact C-N 3.33Å; R195-C269 WeakPolarHBondContact O-CB 3.45Å; R195-C269 PolarHBondContact O-N 3.3Å; R195-M312 HydrophobicContact CB-CE 3.61Å; R195-M312 HydrophobicContact CG-CE 3.92Å; R195-T313 CarbonylContact C-O 3.55Å; R195-T313 VanDerWaalsContact CA-O 3.3Å; R195-T313 WeakPolarHBondContact CA-O 3.47Å; R195-T313 WeakPolarHBondContact CD-O 3.43Å; R195-T313 VanDerWaalsContact CD-OXT 3.22Å; R195-T313 WeakPolarHBondContact CD-OXT 3.28Å; R195-T313 PolarHBondContact NH1-OXT 3.48Å | ||
| 196 | S | 91.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.8 | 177.8 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | V267 M312 T313 | S196-V267 WeakPolarHBondContact CA-O 3.21Å; S196-M312 CarbonylContact O-C 3.48Å; S196-M312 VanDerWaalsContact O-CA 3.28Å; S196-M312 WeakPolarHBondContact O-CA 2.9Å; S196-M312 WeakPolarHBondContact O-CG 3.49Å; S196-T313 PolarHBondContact N-O 2.98Å; S196-T313 PolarHBondContact O-N 2.99Å |
| 197 | I | 94.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127.7 | 164.9 | -66.6 | 170.3 | 0 | 0 | 0 | 107.4 | L187 L191 I199 L214 I266 V267 L299 | L187-I197 HydrophobicContact CD1-CD1 4.14Å; L191-I197 HydrophobicContact CD2-CD1 3.9Å; L191-I197 HydrophobicContact CD2-CG1 4.32Å; I197-I199 HydrophobicContact CG2-CD1 4.13Å; I197-I199 HydrophobicContact CG2-CG1 3.93Å; I197-L214 HydrophobicContact CD1-CD2 3.41Å; I197-L214 VanDerWaalsContact CD1-CD2 3.41Å; I197-I266 WeakPolarHBondContact O-CA 3.41Å; I197-V267 HydrophobicContact CB-CB 4.46Å; I197-V267 PolarHBondContact N-O 3.34Å; I197-V267 PolarHBondContact O-N 3.22Å; I197-L299 HydrophobicContact CG2-CD1 4.48Å; I197-L299 HydrophobicContact CG2-CD2 3.8Å |
| 198 | I | 92.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.8 | 177.8 | -54.5 | 175.5 | 0 | 0 | 0 | 107.8 | K200 E264 M265 I266 V310 R311 T313 | I198-K200 HydrophobicContact CG2-CG 4.38Å; I198-E264 HydrophobicContact CG2-CG 4.11Å; I198-M265 WeakPolarHBondContact CA-O 3.33Å; I198-I266 HydrophobicContact CG1-CG1 4.25Å; I198-I266 HydrophobicContact CG2-CG1 4.42Å; I198-V310 WeakPolarHBondContact O-CA 3.48Å; I198-R311 HydrophobicContact CB-CG 4Å; I198-R311 HydrophobicContact CD1-CG 4.47Å; I198-R311 PolarHBondContact N-O 2.9Å; I198-R311 PolarHBondContact O-N 3.48Å; I198-T313 HydrophobicContact CD1-CG2 3.83Å |
| 199 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.7 | -179.7 | -58.7 | 161.5 | 0 | 0 | 0 | 107.4 | I197 V212 F263 M265 L299 V301 L307 V310 | I197-I199 HydrophobicContact CG2-CD1 4.13Å; I197-I199 HydrophobicContact CG2-CG1 3.93Å; I199-V212 HydrophobicContact CD1-CB 4.34Å; I199-V212 HydrophobicContact CD1-CG1 3.38Å; I199-V212 HydrophobicContact CD1-CG2 3.99Å; I199-F263 HydrophobicContact CG2-CE2 4.08Å; I199-F263 HydrophobicContact CG2-CZ 4.44Å; I199-M265 HydrophobicContact CB-CB 4.43Å; I199-M265 HydrophobicContact CD1-SD 4.49Å; I199-M265 PolarHBondContact N-O 2.85Å; I199-M265 PolarHBondContact O-N 2.79Å; I199-L299 HydrophobicContact CD1-CD1 4.13Å; I199-L299 HydrophobicContact CD1-CD2 4.46Å; I199-L299 HydrophobicContact CG1-CD2 4.45Å; I199-V301 HydrophobicContact CD1-CG2 4.44Å; I199-L307 HydrophobicContact CG2-CD2 3.56Å; I199-V310 HydrophobicContact CG2-CG2 4.47Å |
| 200 | K | 94.7 | Very high | 93.2 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 9% | 0.087 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135 | 173.2 | -57.9 | -176.4 | 179.5 | -138.8 | 0 | 109.1 | A18 I198 Y262 F263 E264 M308 D309 | A18-K200 PolarHBondContact O-NZ 3.02Å; I198-K200 HydrophobicContact CG2-CG 4.38Å; K200-Y262 HydrophobicContact CB-CE2 4.26Å; K200-Y262 WeakPolarHBondContact CD-OH 3.29Å; K200-F263 WeakPolarHBondContact CA-O 3.4Å; K200-E264 WeakPolarHBondContact CE-OE2 3.4Å; K200-E264 HydrophobicContact CG-CB 4.47Å; K200-E264 HydrophobicContact CG-CG 4.21Å; K200-E264 IonicContact NZ-OE2 2.96Å; K200-E264 PolarHBondContact NZ-OE2 2.68Å; K200-M308 HydrophobicContact CB-CB 4.38Å; K200-M308 PolarHBondContact O-N 2.82Å; K200-D309 HydrophobicContact CB-CB 3.99Å; K200-D309 HydrophobicContact CD-CB 4.02Å; K200-D309 HydrophobicContact CG-CB 4.18Å; K200-D309 PolarHBondContact N-O 2.98Å; K200-D309 PolarHBondContact O-N 2.67Å |
| 201 | G | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | -178 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y262 F263 T306 | G201-Y262 CarbonylContact O-C 3.47Å; G201-Y262 WeakPolarHBondContact O-CA 3.22Å; G201-Y262 WeakPolarHBondContact O-CD2 3.31Å; G201-F263 PolarHBondContact N-O 3.29Å; G201-F263 WeakPolarHBondContact O-CD1 3.44Å; G201-F263 PolarHBondContact O-N 3.15Å; G201-T306 CarbonylContact C-O 3.55Å; G201-T306 WeakPolarHBondContact CA-O 3.17Å |
| 202 | Q | 95.1 | Very high | 94.3 | Very high | 94 Ų | 94 | 42.7 Ų | 42.7 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.6 | 172 | -172.5 | 179.2 | 29.3 | 0 | 0 | 107.8 | G260 E261 V305 T306 | Q202-G260 PolarHBondContact NE2-O 2.84Å; Q202-E261 WeakPolarHBondContact CA-O 3.46Å; Q202-V305 WeakPolarHBondContact O-CA 3.4Å; Q202-V305 WeakPolarHBondContact O-CG2 3.24Å; Q202-T306 PolarHBondContact N-O 2.94Å; Q202-T306 PolarHBondContact O-N 2.87Å |
| 203 | T | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 147 | 173 | 60 | 0 | 0 | 0 | 0 | 109.5 | F210 L230 A258 A259 G260 E261 F263 | T203-F210 HydrophobicContact CG2-CD1 4.41Å; T203-F210 HydrophobicContact CG2-CE1 4.12Å; T203-L230 HydrophobicContact CG2-CD2 4.3Å; T203-A258 PolarHBondContact OG1-O 2.95Å; T203-A259 WeakPolarHBondContact OG1-CA 3.46Å; T203-G260 WeakPolarHBondContact O-CA 3.34Å; T203-G260 PolarHBondContact O-N 2.72Å; T203-G260 PolarHBondContact OG1-N 2.8Å; T203-E261 PolarHBondContact N-O 2.97Å; T203-E261 PolarHBondContact OG1-N 2.68Å; T203-E261 PolarHBondContact OG1-O 2.73Å; T203-F263 HydrophobicContact CG2-CD1 4.11Å; T203-F263 HydrophobicContact CG2-CE1 4.28Å |
| 204 | S | 96.9 | Very high | 95.1 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 26% | 0.259 | 19% | 0.19 | S | C | . | . | trans | -62.7 | 150.6 | 175.4 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | N206 A207 G260 D304 | S204-N206 PolarHBondContact O-N 2.84Å; S204-N206 VanDerWaalsContact O-N 3.08Å; S204-A207 WeakPolarHBondContact O-CB 3.33Å; S204-A207 PolarHBondContact O-N 3.02Å; S204-G260 PolarHBondContact O-N 3.11Å; S204-D304 PolarHBondContact N-O 3.29Å; S204-D304 VanDerWaalsContact OG-C 3.27Å; S204-D304 PolarHBondContact OG-O 3.14Å | ||
| 205 | P | 93.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 33.2 Ų | 33.2 | 68% | 0.675 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28.9 | -180 | -29 | 35.8 | 0 | 0 | 0 | 115 | A259 | P205-A259 WeakPolarHBondContact O-CB 3.35Š|
| 206 | N | 94.7 | Very high | 96 | Very high | 156 Ų | 156 | 30.6 Ų | 30.6 | 83% | 0.834 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 30.1 | 177.6 | -60.2 | -35.4 | 0 | 0 | 0 | 111.9 | S204 N208 | S204-N206 PolarHBondContact O-N 2.84Å; S204-N206 VanDerWaalsContact O-N 3.08Å; N206-N208 PolarHBondContact O-N 2.84Å |
| 207 | A | 96.1 | Very high | 96 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | trans | -60 | 123.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S204 L230 A259 D304 | S204-A207 WeakPolarHBondContact O-CB 3.33Å; S204-A207 PolarHBondContact O-N 3.02Å; A207-L230 HydrophobicContact CB-CD1 4.31Å; A207-L230 HydrophobicContact CB-CD2 3.91Å; A207-A259 HydrophobicContact CB-CB 4.46Å; A207-D304 HydrophobicContact CB-CB 3.55Å | ||
| 208 | N | 97.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 36.6 Ų | 36.6 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | trans | -88.6 | -48 | 171.2 | 179.8 | 45.5 | 0 | 0 | 0 | 110.3 | N206 R229 L230 A231 D304 | N206-N208 PolarHBondContact O-N 2.84Å; N208-R229 CarbonylContact O-C 3.52Å; N208-L230 PolarHBondContact O-N 2.96Å; N208-A231 WeakPolarHBondContact OD1-CB 3.24Å; N208-D304 WeakPolarHBondContact CA-OD2 3.43Å; N208-D304 PolarHBondContact N-OD2 3.21Å | ||
| 209 | S | 98.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 24% | 0.238 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -162.6 | 157.3 | 176.2 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | P228 D304 | S209-P228 VanDerWaalsContact CA-O 3.24Å; S209-P228 WeakPolarHBondContact CA-O 3.41Å; S209-P228 VanDerWaalsContact CB-O 3.29Å; S209-P228 WeakPolarHBondContact CB-O 3.47Å; S209-D304 PolarHBondContact N-OD2 3.07Å; S209-D304 VanDerWaalsContact N-OD2 3.09Å; S209-D304 PolarHBondContact O-N 3.22Å |
| 210 | F | 98.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 164.1 | 166 | 74.4 | -85.4 | 0 | 0 | 0 | 110.4 | T203 V212 N227 P228 L230 F257 F263 M265 V302 V305 | T203-F210 HydrophobicContact CG2-CD1 4.41Å; T203-F210 HydrophobicContact CG2-CE1 4.12Å; F210-V212 HydrophobicContact CD2-CG2 4.24Å; F210-V212 HydrophobicContact CE2-CG2 3.95Å; F210-N227 WeakPolarHBondContact O-CA 3.28Å; F210-N227 PolarHBondContact O-ND2 2.86Å; F210-P228 HydrophobicContact CD1-CB 4.18Å; F210-P228 HydrophobicContact CD1-CG 4.26Å; F210-P228 HydrophobicContact CE1-CB 3.72Å; F210-P228 HydrophobicContact CE1-CG 3.6Å; F210-P228 HydrophobicContact CE2-CG 4.2Å; F210-P228 HydrophobicContact CZ-CB 4.23Å; F210-P228 HydrophobicContact CZ-CG 3.58Å; F210-P228 PolarHBondContact N-O 2.91Å; F210-P228 WeakPolarHBondContact O-CD 3.42Å; F210-L230 HydrophobicContact CD1-CD1 4.25Å; F210-F257 AromaticContact CE1-CD1 3.91Å; F210-F257 HydrophobicContact CE1-CD1 3.91Å; F210-F257 HydrophobicContact CE1-CE1 4.04Å; F210-F257 HydrophobicContact CE1-CG 4.18Å; F210-F257 HydrophobicContact CE1-CZ 4.41Å; F210-F257 AromaticContact CZ-CD1 3.96Å; F210-F257 HydrophobicContact CZ-CD1 3.96Å; F210-F257 AromaticContact CZ-CE1 3.6Å; F210-F257 HydrophobicContact CZ-CE1 3.6Å; F210-F257 HydrophobicContact CZ-CE2 4.41Å; F210-F257 AromaticContact CZ-CZ 3.85Å; F210-F257 HydrophobicContact CZ-CZ 3.85Å; F210-F263 HydrophobicContact CE2-CE2 4.39Å; F210-F263 AromaticContact CE2-CZ 3.99Å; F210-F263 HydrophobicContact CE2-CZ 3.99Å; F210-F263 HydrophobicContact CZ-CE1 4.2Å; F210-F263 HydrophobicContact CZ-CE2 4.34Å; F210-F263 HydrophobicContact CZ-CZ 4.02Å; F210-M265 HydrophobicContact CE2-CE 4.12Å; F210-M265 HydrophobicContact CZ-CE 4.15Å; F210-V302 CarbonylContact C-O 3.54Å; F210-V302 VanDerWaalsContact CA-O 3.32Å; F210-V302 WeakPolarHBondContact CA-O 3.39Å; F210-V302 VanDerWaalsContact CB-O 3.31Å; F210-V302 WeakPolarHBondContact CB-O 3.37Å; F210-V305 HydrophobicContact CB-CB 4.18Å; F210-V305 HydrophobicContact CB-CG1 3.92Å; F210-V305 HydrophobicContact CD2-CG1 4.27Å; F210-V305 HydrophobicContact CG-CB 4.32Å; F210-V305 HydrophobicContact CG-CG1 4.28Å |
| 211 | G | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L226 V301 V302 | G211-L226 CarbonylContact C-O 3.59Å; G211-L226 WeakPolarHBondContact CA-O 3.48Å; G211-V301 CarbonylContact O-C 3.57Å; G211-V301 VanDerWaalsContact O-CA 3.29Å; G211-V301 WeakPolarHBondContact O-CA 3.41Å; G211-V302 PolarHBondContact N-O 2.98Å; G211-V302 PolarHBondContact O-N 3.26Å |
| 212 | V | 98.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.5 | 167.2 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | I199 F210 L226 M265 L299 E300 V301 | I199-V212 HydrophobicContact CD1-CB 4.34Å; I199-V212 HydrophobicContact CD1-CG1 3.38Å; I199-V212 HydrophobicContact CD1-CG2 3.99Å; F210-V212 HydrophobicContact CD2-CG2 4.24Å; F210-V212 HydrophobicContact CE2-CG2 3.95Å; V212-L226 HydrophobicContact CB-CB 4.16Å; V212-L226 PolarHBondContact N-O 3.29Å; V212-L226 PolarHBondContact O-N 3.25Å; V212-M265 HydrophobicContact CB-SD 4.32Å; V212-M265 HydrophobicContact CG1-SD 4.43Å; V212-M265 HydrophobicContact CG2-CE 4.29Å; V212-M265 HydrophobicContact CG2-SD 4Å; V212-L299 HydrophobicContact CG1-CD1 3.87Å; V212-E300 CarbonylContact C-O 3.6Å; V212-E300 WeakPolarHBondContact CA-O 3.34Å; V212-V301 HydrophobicContact CG2-CG1 4.33Å; V212-V301 HydrophobicContact CG2-CG2 4.26Å |
| 213 | N | 98.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.6 | -173.8 | -61.9 | -32.6 | 0 | 0 | 0 | 110 | R215 V222 L224 H225 L299 E300 | N213-R215 HydrophobicContact CB-CG 4.3Å; N213-V222 HydrophobicContact CB-CG1 3.98Å; N213-L224 CarbonylContact C-O 3.58Å; N213-L224 WeakPolarHBondContact CA-O 3.46Å; N213-H225 PolarHBondContact OD1-ND1 3.33Å; N213-L299 CarbonylContact O-C 3.52Å; N213-L299 WeakPolarHBondContact O-CA 3.33Å; N213-E300 HydrophobicContact CB-CB 4.09Å; N213-E300 HydrophobicContact CB-CG 4.49Å; N213-E300 PolarHBondContact N-O 3.37Å; N213-E300 PolarHBondContact ND2-OE2 2.94Å; N213-E300 PolarHBondContact O-N 3.01Å |
| 214 | L | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 114.4 | 161.9 | -58 | -178.2 | 0 | 0 | 0 | 107.6 | L191 I197 V222 V223 L224 V267 F274 V296 L299 | L191-L214 HydrophobicContact CD1-CD1 3.82Å; I197-L214 HydrophobicContact CD1-CD2 3.41Å; I197-L214 VanDerWaalsContact CD1-CD2 3.41Å; L214-V222 CarbonylContact O-C 3.57Å; L214-V223 PolarHBondContact O-N 2.74Å; L214-L224 HydrophobicContact CB-CB 4.09Å; L214-L224 HydrophobicContact CD1-CB 4.11Å; L214-L224 HydrophobicContact CD1-CD2 3.89Å; L214-L224 HydrophobicContact CG-CB 4.24Å; L214-L224 HydrophobicContact CG-CD2 4.41Å; L214-L224 PolarHBondContact N-O 3.1Å; L214-L224 PolarHBondContact O-N 3.47Å; L214-V267 HydrophobicContact CD1-CG1 4.08Å; L214-F274 HydrophobicContact CD1-CD1 4.35Å; L214-F274 HydrophobicContact CD1-CE1 3.88Å; L214-F274 HydrophobicContact CD1-CZ 4.08Å; L214-V296 HydrophobicContact CB-CG1 3.84Å; L214-L299 HydrophobicContact CD2-CD1 3.8Å |
| 215 | R | 97.1 | Very high | 95.7 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 15% | 0.151 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 156.5 | -178.2 | -64.8 | 179.6 | 172.9 | -87 | -6 | 111.2 | N213 G219 D221 V222 V296 G297 Q298 E300 | N213-R215 HydrophobicContact CB-CG 4.3Å; R215-G219 PolarHBondContact NH1-O 2.77Å; R215-D221 WeakPolarHBondContact CA-O 3.22Å; R215-D221 WeakPolarHBondContact CB-O 3.3Å; R215-V222 HydrophobicContact CG-CG2 4.19Å; R215-V296 CarbonylContact O-C 3.59Å; R215-V296 WeakPolarHBondContact O-CA 3.36Å; R215-G297 PolarHBondContact O-N 3.39Å; R215-Q298 HydrophobicContact CB-CB 4.2Å; R215-Q298 PolarHBondContact N-O 3.18Å; R215-Q298 PolarHBondContact O-N 3.23Å; R215-E300 IonicContact CZ-OE2 3.26Å; R215-E300 VanDerWaalsContact CZ-OE2 3.26Å; R215-E300 IonicContact NE-OE1 3.9Å; R215-E300 IonicContact NE-OE2 2.81Å; R215-E300 PolarHBondContact NE-OE2 2.89Å; R215-E300 IonicContact NH2-OE2 2.82Å; R215-E300 PolarHBondContact NH2-OE2 3.21Å |
| 216 | D | 93.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 167.3 | 169 | 83.1 | -44.7 | 0 | 0 | 0 | 111.2 | S218 G219 R220 D221 A295 | D216-S218 VanDerWaalsContact CG-OG 3.29Å; D216-S218 PolarHBondContact O-N 3.39Å; D216-S218 PolarHBondContact OD1-OG 3.3Å; D216-S218 VanDerWaalsContact OD2-CB 3.31Å; D216-S218 WeakPolarHBondContact OD2-CB 3.33Å; D216-S218 PolarHBondContact OD2-N 3.04Å; D216-S218 PolarHBondContact OD2-OG 3.28Å; D216-G219 PolarHBondContact O-N 3.1Å; D216-G219 WeakPolarHBondContact OD1-CA 3.42Å; D216-G219 PolarHBondContact OD1-N 3.39Å; D216-R220 PolarHBondContact OD1-N 2.81Å; D216-D221 HydrophobicContact CB-CB 4.34Å; D216-D221 PolarHBondContact N-O 2.58Å; D216-D221 VanDerWaalsContact N-O 3.11Å; D216-D221 PolarHBondContact OD1-N 3.28Å; D216-A295 CarbonylContact C-O 3.54Å; D216-A295 VanDerWaalsContact CA-O 3.23Å; D216-A295 WeakPolarHBondContact CA-O 3.43Å |
| 217 | A | 90.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 30.8 Ų | 30.8 | 58% | 0.579 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G219 A295 Q298 | A217-G219 VanDerWaalsContact C-N 3.29Å; A217-A295 PolarHBondContact N-O 2.92Å; A217-Q298 PolarHBondContact O-NE2 2.84Å |
| 218 | S | 90.3 | Very high | 96.2 | Very high | 62 Ų | 62 | 30.4 Ų | 30.4 | 43% | 0.434 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.8 | 176.1 | 80 | 0 | 0 | 0 | 0 | 113.4 | D216 R220 | D216-S218 VanDerWaalsContact CG-OG 3.29Å; D216-S218 PolarHBondContact O-N 3.39Å; D216-S218 PolarHBondContact OD1-OG 3.3Å; D216-S218 VanDerWaalsContact OD2-CB 3.31Å; D216-S218 WeakPolarHBondContact OD2-CB 3.33Å; D216-S218 PolarHBondContact OD2-N 3.04Å; D216-S218 PolarHBondContact OD2-OG 3.28Å; S218-R220 PolarHBondContact O-N 3.38Å; S218-R220 WeakPolarHBondContact OG-CB 3.19Å; S218-R220 WeakPolarHBondContact OG-CG 3.3Å; S218-R220 PolarHBondContact OG-N 3.39Å; S218-R220 PolarHBondContact OG-NE 3.03Å |
| 219 | G | 90.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 12% | 0.124 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 77 | 0.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R215 D216 A217 | R215-G219 PolarHBondContact NH1-O 2.77Å; D216-G219 PolarHBondContact O-N 3.1Å; D216-G219 WeakPolarHBondContact OD1-CA 3.42Å; D216-G219 PolarHBondContact OD1-N 3.39Å; A217-G219 VanDerWaalsContact C-N 3.29Å |
| 220 | R | 90.3 | Very high | 96.2 | Very high | 185 Ų | 185 | 28.1 Ų | 28.1 | 70% | 0.698 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -76.1 | -45.8 | -177.4 | -67.5 | -175.2 | -64.6 | 166.2 | 4.1 | 111.4 | D216 S218 | D216-R220 PolarHBondContact OD1-N 2.81Å; S218-R220 PolarHBondContact O-N 3.38Å; S218-R220 WeakPolarHBondContact OG-CB 3.19Å; S218-R220 WeakPolarHBondContact OG-CG 3.3Å; S218-R220 PolarHBondContact OG-N 3.39Å; S218-R220 PolarHBondContact OG-NE 3.03Å |
| 221 | D | 91.4 | Very high | 95.8 | Very high | 43 Ų | 43 | 31.6 Ų | 31.6 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | trans | -97.5 | 142.8 | -176.6 | -75.8 | -17.4 | 0 | 0 | 0 | 110.7 | R215 D216 F240 L241 S242 | R215-D221 WeakPolarHBondContact CA-O 3.22Å; R215-D221 WeakPolarHBondContact CB-O 3.3Å; D216-D221 HydrophobicContact CB-CB 4.34Å; D216-D221 PolarHBondContact N-O 2.58Å; D216-D221 VanDerWaalsContact N-O 3.11Å; D216-D221 PolarHBondContact OD1-N 3.28Å; D221-F240 CarbonylContact C-O 3.56Å; D221-F240 WeakPolarHBondContact CA-O 3.24Å; D221-L241 HydrophobicContact CB-CD2 4.09Å; D221-S242 PolarHBondContact OD1-N 3.23Å; D221-S242 VanDerWaalsContact OD1-N 3.07Å | ||
| 222 | V | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 100.7 | 169.7 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | N213 L214 R215 L224 H225 S239 F240 | N213-V222 HydrophobicContact CB-CG1 3.98Å; L214-V222 CarbonylContact O-C 3.57Å; R215-V222 HydrophobicContact CG-CG2 4.19Å; V222-L224 WeakPolarHBondContact CG1-O 3.41Å; V222-H225 HydrophobicContact CG1-CB 3.8Å; V222-S239 CarbonylContact O-C 3.57Å; V222-S239 VanDerWaalsContact O-CA 3.23Å; V222-S239 WeakPolarHBondContact O-CA 3.08Å; V222-S239 WeakPolarHBondContact O-CB 3.29Å; V222-F240 HydrophobicContact CB-CB 3.84Å; V222-F240 HydrophobicContact CG2-CB 3.99Å; V222-F240 PolarHBondContact N-O 2.84Å; V222-F240 PolarHBondContact O-N 2.84Å |
| 223 | V | 97.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -42.7 | 178.9 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L214 S239 F274 V290 V296 | L214-V223 PolarHBondContact O-N 2.74Å; V223-S239 PolarHBondContact O-OG 3.32Å; V223-F274 HydrophobicContact CG1-CE2 4.3Å; V223-F274 HydrophobicContact CG1-CZ 4.48Å; V223-V290 HydrophobicContact CG1-CB 3.98Å; V223-V290 HydrophobicContact CG1-CG2 4.27Å; V223-V290 HydrophobicContact CG2-CB 4.38Å; V223-V290 HydrophobicContact CG2-CG2 4.18Å; V223-V296 HydrophobicContact CB-CG2 4.14Å; V223-V296 HydrophobicContact CG1-CG2 3.97Å; V223-V296 HydrophobicContact CG2-CG2 4.02Å |
| 224 | L | 98.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 120.1 | 173.2 | 176.4 | 68.4 | 0 | 0 | 0 | 109.5 | N213 L214 V222 L226 V267 F274 Y286 | N213-L224 CarbonylContact C-O 3.58Å; N213-L224 WeakPolarHBondContact CA-O 3.46Å; L214-L224 HydrophobicContact CB-CB 4.09Å; L214-L224 HydrophobicContact CD1-CB 4.11Å; L214-L224 HydrophobicContact CD1-CD2 3.89Å; L214-L224 HydrophobicContact CG-CB 4.24Å; L214-L224 HydrophobicContact CG-CD2 4.41Å; L214-L224 PolarHBondContact N-O 3.1Å; L214-L224 PolarHBondContact O-N 3.47Å; V222-L224 WeakPolarHBondContact CG1-O 3.41Å; L224-L226 HydrophobicContact CD1-CD2 3.84Å; L224-L226 HydrophobicContact CD1-CG 4.29Å; L224-L226 HydrophobicContact CD2-CD1 4.04Å; L224-L226 HydrophobicContact CD2-CD2 4.2Å; L224-L226 HydrophobicContact CD2-CG 4Å; L224-L226 HydrophobicContact CG-CD2 4.06Å; L224-L226 HydrophobicContact CG-CG 3.94Å; L224-V267 HydrophobicContact CD2-CG1 3.78Å; L224-F274 HydrophobicContact CB-CD2 4.27Å; L224-F274 HydrophobicContact CB-CE2 4.17Å; L224-F274 HydrophobicContact CD1-CD2 4.38Å; L224-F274 HydrophobicContact CD2-CB 4.08Å; L224-F274 HydrophobicContact CD2-CD1 4.43Å; L224-F274 HydrophobicContact CD2-CD2 3.9Å; L224-F274 HydrophobicContact CD2-CE2 4.46Å; L224-F274 HydrophobicContact CD2-CG 3.87Å; L224-F274 HydrophobicContact CG-CD2 4.42Å; L224-Y286 HydrophobicContact CD1-CD1 3.34Å; L224-Y286 HydrophobicContact CD1-CD2 4.32Å; L224-Y286 HydrophobicContact CD1-CE1 3.66Å; L224-Y286 HydrophobicContact CD1-CG 3.67Å |
| 225 | H | 98.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 11% | 0.111 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.6 | 169.6 | 177.2 | 60.1 | 0 | 0 | 0 | 108.8 | N213 V222 N227 R237 N238 W245 | N213-H225 PolarHBondContact OD1-ND1 3.33Å; V222-H225 HydrophobicContact CG1-CB 3.8Å; H225-N227 WeakPolarHBondContact NE2-CB 3.2Å; H225-R237 VanDerWaalsContact O-CA 3.24Å; H225-R237 WeakPolarHBondContact O-CA 3.49Å; H225-N238 WeakPolarHBondContact CB-O 3.43Å; H225-N238 PolarHBondContact N-O 3.23Å; H225-N238 PolarHBondContact O-N 2.82Å; H225-N238 VanDerWaalsContact O-N 3.09Å; H225-W245 HydrophobicContact CB-CH2 3.76Å; H225-W245 HydrophobicContact CB-CZ3 3.55Å; H225-W245 AromaticContact CD2-CH2 3.54Å; H225-W245 AromaticContact CD2-CZ3 3.62Å; H225-W245 AromaticContact CG-CH2 3.47Å; H225-W245 VanDerWaalsContact CG-CH2 3.47Å; H225-W245 AromaticContact CG-CZ3 3.64Å; H225-W245 AromaticContact ND1-CH2 3.86Å; H225-W245 AromaticContact NE2-CH2 3.95Å |
| 226 | L | 98.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.3 | 173.7 | -64.3 | -177.9 | 0 | 0 | 0 | 108 | G211 V212 L224 F235 R237 M265 V267 V276 F284 | G211-L226 CarbonylContact C-O 3.59Å; G211-L226 WeakPolarHBondContact CA-O 3.48Å; V212-L226 HydrophobicContact CB-CB 4.16Å; V212-L226 PolarHBondContact N-O 3.29Å; V212-L226 PolarHBondContact O-N 3.25Å; L224-L226 HydrophobicContact CD1-CD2 3.84Å; L224-L226 HydrophobicContact CD1-CG 4.29Å; L224-L226 HydrophobicContact CD2-CD1 4.04Å; L224-L226 HydrophobicContact CD2-CD2 4.2Å; L224-L226 HydrophobicContact CD2-CG 4Å; L224-L226 HydrophobicContact CG-CD2 4.06Å; L224-L226 HydrophobicContact CG-CG 3.94Å; L226-F235 HydrophobicContact CB-CE2 3.8Å; L226-F235 HydrophobicContact CB-CZ 4.21Å; L226-F235 HydrophobicContact CD2-CE2 4.29Å; L226-F235 HydrophobicContact CD2-CZ 4.49Å; L226-R237 HydrophobicContact CD2-CB 4.27Å; L226-R237 HydrophobicContact CD2-CG 3.71Å; L226-M265 HydrophobicContact CD1-SD 3.87Å; L226-V267 HydrophobicContact CD1-CG2 3.76Å; L226-V276 HydrophobicContact CD1-CG1 4.3Å; L226-V276 HydrophobicContact CD1-CG2 3.98Å; L226-V276 HydrophobicContact CD2-CG2 4.27Å; L226-F284 HydrophobicContact CD2-CE2 3.89Å; L226-F284 HydrophobicContact CD2-CZ 4.02Å |
| 227 | N | 98.8 | Very high | 95.8 | Very high | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 90.4 | -175.7 | 177.4 | -133.7 | 0 | 0 | 0 | 112.5 | F210 H225 R229 V236 | F210-N227 WeakPolarHBondContact O-CA 3.28Å; F210-N227 PolarHBondContact O-ND2 2.86Å; H225-N227 WeakPolarHBondContact NE2-CB 3.2Å; N227-R229 PolarHBondContact O-N 2.82Å; N227-R229 WeakPolarHBondContact OD1-CG 3.41Å; N227-R229 PolarHBondContact OD1-NE 2.89Å; N227-V236 HydrophobicContact CB-CB 4.34Å; N227-V236 PolarHBondContact N-O 2.85Å; N227-V236 PolarHBondContact O-N 3.04Å |
| 228 | P | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 120.1 | 165.5 | -22.4 | 36.7 | 0 | 0 | 0 | 110.5 | S209 F210 F235 F255 F257 | S209-P228 VanDerWaalsContact CA-O 3.24Å; S209-P228 WeakPolarHBondContact CA-O 3.41Å; S209-P228 VanDerWaalsContact CB-O 3.29Å; S209-P228 WeakPolarHBondContact CB-O 3.47Å; F210-P228 HydrophobicContact CD1-CB 4.18Å; F210-P228 HydrophobicContact CD1-CG 4.26Å; F210-P228 HydrophobicContact CE1-CB 3.72Å; F210-P228 HydrophobicContact CE1-CG 3.6Å; F210-P228 HydrophobicContact CE2-CG 4.2Å; F210-P228 HydrophobicContact CZ-CB 4.23Å; F210-P228 HydrophobicContact CZ-CG 3.58Å; F210-P228 PolarHBondContact N-O 2.91Å; F210-P228 WeakPolarHBondContact O-CD 3.42Å; P228-F235 HydrophobicContact CB-CD2 4.39Å; P228-F235 HydrophobicContact CG-CD1 4.46Å; P228-F235 HydrophobicContact CG-CD2 3.73Å; P228-F235 HydrophobicContact CG-CE1 4.3Å; P228-F235 HydrophobicContact CG-CE2 3.51Å; P228-F235 HydrophobicContact CG-CG 4.22Å; P228-F235 HydrophobicContact CG-CZ 3.82Å; P228-F255 HydrophobicContact CB-CE2 4.17Å; P228-F255 HydrophobicContact CB-CZ 4Å; P228-F257 HydrophobicContact CB-CD2 3.48Å; P228-F257 VanDerWaalsContact CB-CD2 3.48Å; P228-F257 HydrophobicContact CB-CE2 3.7Å; P228-F257 HydrophobicContact CB-CG 4.18Å; P228-F257 HydrophobicContact CG-CD2 3.63Å; P228-F257 HydrophobicContact CG-CE2 3.25Å; P228-F257 HydrophobicContact CG-CG 4.44Å; P228-F257 HydrophobicContact CG-CZ 3.84Å |
| 229 | R | 98.3 | Very high | 96.4 | Very high | 66 Ų | 66 | 40 Ų | 40 | 25% | 0.249 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 92.7 | 173.7 | -57.7 | 178.3 | -174.2 | 159.6 | 2.5 | 107.7 | N208 N227 A231 K232 R233 V234 E248 | N208-R229 CarbonylContact O-C 3.52Å; N227-R229 PolarHBondContact O-N 2.82Å; N227-R229 WeakPolarHBondContact OD1-CG 3.41Å; N227-R229 PolarHBondContact OD1-NE 2.89Å; R229-A231 PolarHBondContact O-N 2.8Å; R229-K232 HydrophobicContact CB-CB 4.47Å; R229-K232 CarbonylContact O-C 3.52Å; R229-K232 PolarHBondContact O-N 2.91Å; R229-R233 PolarHBondContact O-N 2.8Å; R229-V234 HydrophobicContact CB-CG2 3.84Å; R229-V234 HydrophobicContact CG-CG2 4.25Å; R229-V234 PolarHBondContact N-O 2.92Å; R229-V234 PolarHBondContact O-N 3.01Å; R229-E248 IonicContact CZ-OE1 3.71Å; R229-E248 IonicContact NH1-OE1 3.59Å; R229-E248 IonicContact NH2-OE1 2.92Å; R229-E248 PolarHBondContact NH2-OE1 3.05Å |
| 230 | L | 96.7 | Very high | 96.4 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.089 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -41.8 | -169.1 | -69.3 | 81.7 | 0 | 0 | 0 | 112.2 | T203 A207 N208 F210 K232 R233 F255 F257 A259 | T203-L230 HydrophobicContact CG2-CD2 4.3Å; A207-L230 HydrophobicContact CB-CD1 4.31Å; A207-L230 HydrophobicContact CB-CD2 3.91Å; N208-L230 PolarHBondContact O-N 2.96Å; F210-L230 HydrophobicContact CD1-CD1 4.25Å; L230-K232 VanDerWaalsContact C-N 3.26Å; L230-K232 PolarHBondContact O-N 2.85Å; L230-R233 WeakPolarHBondContact O-CG 3.32Å; L230-R233 PolarHBondContact O-N 2.83Å; L230-R233 VanDerWaalsContact O-N 3.1Å; L230-F255 HydrophobicContact CB-CE1 4.33Å; L230-F255 HydrophobicContact CB-CZ 4.48Å; L230-F255 HydrophobicContact CG-CE1 4.11Å; L230-F255 HydrophobicContact CG-CZ 4.16Å; L230-F257 HydrophobicContact CD2-CB 4.46Å; L230-F257 HydrophobicContact CG-CB 4.38Å; L230-A259 HydrophobicContact CD2-CB 4.14Å |
| 231 | A | 90.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 35 Ų | 35 | 63% | 0.628 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -35.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N208 R229 | N208-A231 WeakPolarHBondContact OD1-CB 3.24Å; R229-A231 PolarHBondContact O-N 2.8Å |
| 232 | K | 94 | Very high | 96 | Very high | 158 Ų | 158 | 37.8 Ų | 37.8 | 69% | 0.687 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -7.2 | 178.1 | -67.1 | -175.1 | 179.8 | -177 | 0 | 113.1 | R229 L230 V234 | R229-K232 HydrophobicContact CB-CB 4.47Å; R229-K232 CarbonylContact O-C 3.52Å; R229-K232 PolarHBondContact O-N 2.91Å; L230-K232 VanDerWaalsContact C-N 3.26Å; L230-K232 PolarHBondContact O-N 2.85Å; K232-V234 HydrophobicContact CB-CG2 3.94Å; K232-V234 PolarHBondContact O-N 2.76Å |
| 233 | R | 96.3 | Very high | 95.4 | Very high | 165 Ų | 165 | 45.9 Ų | 45.9 | 62% | 0.623 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 39.1 | -173 | -58.4 | -177.9 | 63.6 | 95.1 | 4.9 | 113.5 | R229 L230 F255 | R229-R233 PolarHBondContact O-N 2.8Å; L230-R233 WeakPolarHBondContact O-CG 3.32Å; L230-R233 PolarHBondContact O-N 2.83Å; L230-R233 VanDerWaalsContact O-N 3.1Å; R233-F255 HydrophobicContact CB-CB 4.13Å; R233-F255 HydrophobicContact CB-CD1 4.14Å; R233-F255 HydrophobicContact CB-CG 4.01Å; R233-F255 HydrophobicContact CG-CD1 4.33Å; R233-F255 WeakPolarHBondContact O-CD2 3.38Å |
| 234 | V | 97.7 | Very high | 94.7 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.4 | 175.4 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | R229 K232 V236 F255 | R229-V234 HydrophobicContact CB-CG2 3.84Å; R229-V234 HydrophobicContact CG-CG2 4.25Å; R229-V234 PolarHBondContact N-O 2.92Å; R229-V234 PolarHBondContact O-N 3.01Å; K232-V234 HydrophobicContact CB-CG2 3.94Å; K232-V234 PolarHBondContact O-N 2.76Å; V234-V236 HydrophobicContact CG2-CG2 4.1Å; V234-F255 VanDerWaalsContact O-CE2 3.29Å; V234-F255 WeakPolarHBondContact O-CE2 3.38Å |
| 235 | F | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 93 | 175 | -164.3 | 169.8 | 0 | 0 | 0 | 109.1 | L226 P228 L252 F255 P256 F257 M265 V278 F284 | L226-F235 HydrophobicContact CB-CE2 3.8Å; L226-F235 HydrophobicContact CB-CZ 4.21Å; L226-F235 HydrophobicContact CD2-CE2 4.29Å; L226-F235 HydrophobicContact CD2-CZ 4.49Å; P228-F235 HydrophobicContact CB-CD2 4.39Å; P228-F235 HydrophobicContact CG-CD1 4.46Å; P228-F235 HydrophobicContact CG-CD2 3.73Å; P228-F235 HydrophobicContact CG-CE1 4.3Å; P228-F235 HydrophobicContact CG-CE2 3.51Å; P228-F235 HydrophobicContact CG-CG 4.22Å; P228-F235 HydrophobicContact CG-CZ 3.82Å; F235-L252 HydrophobicContact CB-CD2 3.8Å; F235-F255 HydrophobicContact CB-CD2 4.34Å; F235-F255 HydrophobicContact CB-CE2 4.22Å; F235-P256 HydrophobicContact CD1-CG 4.18Å; F235-P256 HydrophobicContact CE1-CG 4.48Å; F235-F257 AromaticContact CD1-CE2 3.8Å; F235-F257 HydrophobicContact CD1-CE2 3.8Å; F235-F257 AromaticContact CE1-CE2 3.53Å; F235-F257 HydrophobicContact CE1-CE2 3.53Å; F235-F257 HydrophobicContact CE1-CZ 4.09Å; F235-F257 HydrophobicContact CZ-CE2 4.03Å; F235-F257 HydrophobicContact CZ-CZ 4.38Å; F235-M265 HydrophobicContact CZ-CE 3.84Å; F235-V278 HydrophobicContact CE1-CG2 4.33Å; F235-F284 HydrophobicContact CB-CE1 4.46Å; F235-F284 AromaticContact CD1-CE1 3.46Å; F235-F284 HydrophobicContact CD1-CE1 3.46Å; F235-F284 VanDerWaalsContact CD1-CE1 3.46Å; F235-F284 AromaticContact CD1-CZ 3.9Å; F235-F284 HydrophobicContact CD1-CZ 3.9Å; F235-F284 HydrophobicContact CD2-CE1 4.38Å; F235-F284 HydrophobicContact CD2-CZ 4.27Å; F235-F284 AromaticContact CE1-CE1 3.62Å; F235-F284 HydrophobicContact CE1-CE1 3.62Å; F235-F284 AromaticContact CE1-CZ 3.64Å; F235-F284 HydrophobicContact CE1-CZ 3.64Å; F235-F284 HydrophobicContact CE2-CZ 4.05Å; F235-F284 AromaticContact CG-CE1 3.87Å; F235-F284 HydrophobicContact CG-CE1 3.87Å; F235-F284 HydrophobicContact CG-CZ 4.2Å; F235-F284 HydrophobicContact CZ-CE1 4.17Å; F235-F284 AromaticContact CZ-CZ 3.73Å; F235-F284 HydrophobicContact CZ-CZ 3.73Å |
| 236 | V | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 133.3 | -177 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | N227 V234 E248 L250 | N227-V236 HydrophobicContact CB-CB 4.34Å; N227-V236 PolarHBondContact N-O 2.85Å; N227-V236 PolarHBondContact O-N 3.04Å; V234-V236 HydrophobicContact CG2-CG2 4.1Å; V236-E248 HydrophobicContact CG1-CB 4.14Å; V236-E248 HydrophobicContact CG1-CG 3.76Å; V236-E248 WeakPolarHBondContact CG1-OE1 3.16Å; V236-L250 HydrophobicContact CB-CD2 4.14Å; V236-L250 HydrophobicContact CG1-CD2 4.25Å; V236-L250 HydrophobicContact CG2-CD2 3.53Å |
| 237 | R | 98.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.9 | 165.6 | -44.5 | 100.8 | 68.4 | 178.7 | 2.6 | 111.1 | H225 L226 E249 D251 F284 Y286 | H225-R237 VanDerWaalsContact O-CA 3.24Å; H225-R237 WeakPolarHBondContact O-CA 3.49Å; L226-R237 HydrophobicContact CD2-CB 4.27Å; L226-R237 HydrophobicContact CD2-CG 3.71Å; R237-E249 HydrophobicContact CB-CB 4.42Å; R237-E249 IonicContact CZ-OE2 3.49Å; R237-E249 PolarHBondContact N-O 3.08Å; R237-E249 IonicContact NE-OE2 3.68Å; R237-E249 IonicContact NH2-OE2 2.76Å; R237-E249 PolarHBondContact NH2-OE2 3.14Å; R237-E249 PolarHBondContact O-N 3.2Å; R237-D251 PolarHBondContact NH1-O 2.82Å; R237-F284 HydrophobicContact CG-CD2 4.11Å; R237-F284 HydrophobicContact CG-CE1 4.23Å; R237-F284 HydrophobicContact CG-CE2 3.42Å; R237-F284 VanDerWaalsContact CG-CE2 3.42Å; R237-F284 HydrophobicContact CG-CZ 3.5Å; R237-F284 VanDerWaalsContact CG-CZ 3.5Å; R237-Y286 HydrophobicContact CB-CD2 3.7Å; R237-Y286 HydrophobicContact CB-CE2 3.86Å |
| 238 | N | 97.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 179.5 | 176.8 | -150.8 | -19.3 | 0 | 0 | 0 | 111.6 | H225 W245 G246 A247 Y286 R289 | H225-N238 WeakPolarHBondContact CB-O 3.43Å; H225-N238 PolarHBondContact N-O 3.23Å; H225-N238 PolarHBondContact O-N 2.82Å; H225-N238 VanDerWaalsContact O-N 3.09Å; N238-W245 HydrophobicContact CB-CE3 3.79Å; N238-W245 HydrophobicContact CB-CZ3 3.91Å; N238-G246 PolarHBondContact ND2-O 3.18Å; N238-G246 WeakPolarHBondContact OD1-CA 3.15Å; N238-G246 PolarHBondContact OD1-N 2.99Å; N238-G246 PolarHBondContact OD1-O 2.87Å; N238-A247 PolarHBondContact OD1-O 2.97Å; N238-A247 VanDerWaalsContact OD1-O 3.11Å; N238-Y286 WeakPolarHBondContact CA-OH 3.2Å; N238-Y286 PolarHBondContact O-OH 3.37Å; N238-R289 PolarHBondContact OD1-NH1 2.8Å |
| 239 | S | 95.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.6 | 166.4 | -55.8 | 0 | 0 | 0 | 0 | 108.5 | V222 V223 G246 Y286 | V222-S239 CarbonylContact O-C 3.57Å; V222-S239 VanDerWaalsContact O-CA 3.23Å; V222-S239 WeakPolarHBondContact O-CA 3.08Å; V222-S239 WeakPolarHBondContact O-CB 3.29Å; V223-S239 PolarHBondContact O-OG 3.32Å; S239-G246 PolarHBondContact O-N 2.84Å; S239-Y286 PolarHBondContact N-OH 3.4Å; S239-Y286 VanDerWaalsContact N-OH 3.15Å; S239-Y286 PolarHBondContact OG-OH 3.23Å |
| 240 | F | 92.1 | Very high | 93.4 | Very high | 49 Ų | 49 | 66.6 Ų | 66.6 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 104.6 | 170.9 | -178.1 | -98.8 | 0 | 0 | 0 | 107.4 | D221 V222 E243 C244 W245 | D221-F240 CarbonylContact C-O 3.56Å; D221-F240 WeakPolarHBondContact CA-O 3.24Å; V222-F240 HydrophobicContact CB-CB 3.84Å; V222-F240 HydrophobicContact CG2-CB 3.99Å; V222-F240 PolarHBondContact N-O 2.84Å; V222-F240 PolarHBondContact O-N 2.84Å; F240-E243 WeakPolarHBondContact CE2-O 3.4Å; F240-E243 HydrophobicContact CZ-CB 4.34Å; F240-E243 WeakPolarHBondContact CZ-O 3.47Å; F240-C244 CarbonylContact C-O 3.47Å; F240-C244 WeakPolarHBondContact CA-O 3.4Å; F240-C244 VanDerWaalsContact CD2-C 3.46Å; F240-W245 HydrophobicContact CB-CD2 4Å; F240-W245 HydrophobicContact CB-CE3 3.84Å; F240-W245 HydrophobicContact CB-CH2 4.04Å; F240-W245 HydrophobicContact CB-CZ2 4.18Å; F240-W245 HydrophobicContact CB-CZ3 3.85Å; F240-W245 AromaticContact CD2-CD1 3.7Å; F240-W245 AromaticContact CD2-CD2 3.8Å; F240-W245 HydrophobicContact CD2-CD2 3.8Å; F240-W245 AromaticContact CD2-CE2 3.74Å; F240-W245 HydrophobicContact CD2-CE3 4.47Å; F240-W245 AromaticContact CD2-CG 3.8Å; F240-W245 HydrophobicContact CD2-CG 3.8Å; F240-W245 HydrophobicContact CD2-CZ2 4.4Å; F240-W245 AromaticContact CD2-NE1 3.65Å; F240-W245 HydrophobicContact CG-CD2 4.38Å |
| 241 | L | 86.4 | Confident | 93.1 | Very high | 43 Ų | 43 | 72.6 Ų | 72.6 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135 | -172.4 | -56.3 | 176.9 | 0 | 0 | 0 | 108.4 | D221 E243 C244 R289 V290 | D221-L241 HydrophobicContact CB-CD2 4.09Å; L241-E243 PolarHBondContact O-N 2.89Å; L241-C244 PolarHBondContact N-O 3.27Å; L241-C244 PolarHBondContact O-N 2.85Å; L241-C244 PolarHBondContact O-SG 2.96Å; L241-R289 HydrophobicContact CD1-CB 4.21Å; L241-V290 HydrophobicContact CD1-CG2 3.91Å; L241-V290 HydrophobicContact CD2-CG2 3.61Å; L241-V290 HydrophobicContact CG-CG2 4.45Å |
| 242 | S | 86.1 | Confident | 93.2 | Very high | 102 Ų | 102 | 70.7 Ų | 70.7 | 71% | 0.713 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 47.6 | 178.9 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | D221 C244 | D221-S242 PolarHBondContact OD1-N 3.23Å; D221-S242 VanDerWaalsContact OD1-N 3.07Å; S242-C244 PolarHBondContact O-N 3.42Å; S242-C244 VanDerWaalsContact O-N 3.14Å |
| 243 | E | 84.8 | Confident | 92.8 | Very high | 173 Ų | 173 | 72.9 Ų | 72.9 | 81% | 0.808 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 13.8 | 176.1 | -52.9 | -175.1 | 157.9 | 0 | 0 | 116 | F240 L241 | F240-E243 WeakPolarHBondContact CE2-O 3.4Å; F240-E243 HydrophobicContact CZ-CB 4.34Å; F240-E243 WeakPolarHBondContact CZ-O 3.47Å; L241-E243 PolarHBondContact O-N 2.89Å |
| 244 | C | 84.2 | Confident | 92.4 | Very high | 77 Ų | 77 | 68.2 Ų | 68.2 | 52% | 0.52 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 147.6 | 175.6 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | F240 L241 S242 | F240-C244 CarbonylContact C-O 3.47Å; F240-C244 WeakPolarHBondContact CA-O 3.4Å; F240-C244 VanDerWaalsContact CD2-C 3.46Å; L241-C244 PolarHBondContact N-O 3.27Å; L241-C244 PolarHBondContact O-N 2.85Å; L241-C244 PolarHBondContact O-SG 2.96Å; S242-C244 PolarHBondContact O-N 3.42Å; S242-C244 VanDerWaalsContact O-N 3.14Å |
| 245 | W | 93.3 | Very high | 92.3 | Very high | 128 Ų | 128 | 67.2 Ų | 67.2 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 136.3 | 170.3 | -74.8 | 104.7 | 0 | 0 | 0 | 110.1 | H225 N238 F240 | H225-W245 HydrophobicContact CB-CH2 3.76Å; H225-W245 HydrophobicContact CB-CZ3 3.55Å; H225-W245 AromaticContact CD2-CH2 3.54Å; H225-W245 AromaticContact CD2-CZ3 3.62Å; H225-W245 AromaticContact CG-CH2 3.47Å; H225-W245 VanDerWaalsContact CG-CH2 3.47Å; H225-W245 AromaticContact CG-CZ3 3.64Å; H225-W245 AromaticContact ND1-CH2 3.86Å; H225-W245 AromaticContact NE2-CH2 3.95Å; N238-W245 HydrophobicContact CB-CE3 3.79Å; N238-W245 HydrophobicContact CB-CZ3 3.91Å; F240-W245 HydrophobicContact CB-CD2 4Å; F240-W245 HydrophobicContact CB-CE3 3.84Å; F240-W245 HydrophobicContact CB-CH2 4.04Å; F240-W245 HydrophobicContact CB-CZ2 4.18Å; F240-W245 HydrophobicContact CB-CZ3 3.85Å; F240-W245 AromaticContact CD2-CD1 3.7Å; F240-W245 AromaticContact CD2-CD2 3.8Å; F240-W245 HydrophobicContact CD2-CD2 3.8Å; F240-W245 AromaticContact CD2-CE2 3.74Å; F240-W245 HydrophobicContact CD2-CE3 4.47Å; F240-W245 AromaticContact CD2-CG 3.8Å; F240-W245 HydrophobicContact CD2-CG 3.8Å; F240-W245 HydrophobicContact CD2-CZ2 4.4Å; F240-W245 AromaticContact CD2-NE1 3.65Å; F240-W245 HydrophobicContact CG-CD2 4.38Å |
| 246 | G | 87.2 | Confident | 92.1 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | trans | -76.8 | -165.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | N238 S239 | N238-G246 PolarHBondContact ND2-O 3.18Å; N238-G246 WeakPolarHBondContact OD1-CA 3.15Å; N238-G246 PolarHBondContact OD1-N 2.99Å; N238-G246 PolarHBondContact OD1-O 2.87Å; S239-G246 PolarHBondContact O-N 2.84Å | ||
| 247 | A | 90.2 | Very high | 92 | Very high | 74 Ų | 74 | 69.2 Ų | 69.2 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | trans | -68.5 | 132.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | N238 R289 | N238-A247 PolarHBondContact OD1-O 2.97Å; N238-A247 VanDerWaalsContact OD1-O 3.11Å; A247-R289 PolarHBondContact O-NH1 2.78Å; A247-R289 VanDerWaalsContact O-NH1 3.11Å; A247-R289 PolarHBondContact O-NH2 2.8Å | ||
| 248 | E | 98 | Very high | 91.8 | Very high | 92 Ų | 92 | 71 Ų | 71 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | trans | -69.7 | 139.2 | 171.7 | -69.2 | -169 | 153.1 | 0 | 0 | 110.4 | R229 V236 L250 | R229-E248 IonicContact CZ-OE1 3.71Å; R229-E248 IonicContact NH1-OE1 3.59Å; R229-E248 IonicContact NH2-OE1 2.92Å; R229-E248 PolarHBondContact NH2-OE1 3.05Å; V236-E248 HydrophobicContact CG1-CB 4.14Å; V236-E248 HydrophobicContact CG1-CG 3.76Å; V236-E248 WeakPolarHBondContact CG1-OE1 3.16Å; E248-L250 HydrophobicContact CB-CD2 4.26Å; E248-L250 HydrophobicContact CB-CG 4.41Å | ||
| 249 | E | 98.1 | Very high | 91.7 | Very high | 54 Ų | 54 | 72.9 Ų | 72.9 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -106.5 | 125.4 | 166.2 | -68.8 | 171 | -138.8 | 0 | 0 | 108.8 | R237 Y286 R289 | R237-E249 HydrophobicContact CB-CB 4.42Å; R237-E249 IonicContact CZ-OE2 3.49Å; R237-E249 PolarHBondContact N-O 3.08Å; R237-E249 IonicContact NE-OE2 3.68Å; R237-E249 IonicContact NH2-OE2 2.76Å; R237-E249 PolarHBondContact NH2-OE2 3.14Å; R237-E249 PolarHBondContact O-N 3.2Å; E249-Y286 HydrophobicContact CG-CE2 4.5Å; E249-Y286 WeakPolarHBondContact OE1-CE2 3.34Å; E249-Y286 WeakPolarHBondContact OE2-CD2 3.34Å; E249-R289 IonicContact OE1-CZ 3.82Å; E249-R289 IonicContact OE1-NH2 3.28Å; E249-R289 PolarHBondContact OE1-NH2 2.9Å |
| 250 | L | 96.3 | Very high | 91.4 | Very high | 87 Ų | 87 | 73.6 Ų | 73.6 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | trans | -122.8 | -9.4 | -171.7 | -58 | 179.8 | 0 | 0 | 0 | 113.8 | V236 E248 L252 | V236-L250 HydrophobicContact CB-CD2 4.14Å; V236-L250 HydrophobicContact CG1-CD2 4.25Å; V236-L250 HydrophobicContact CG2-CD2 3.53Å; E248-L250 HydrophobicContact CB-CD2 4.26Å; E248-L250 HydrophobicContact CB-CG 4.41Å; L250-L252 PolarHBondContact O-N 2.91Å | ||
| 251 | D | 91.7 | Very high | 91.3 | Very high | 142 Ų | 142 | 75 Ų | 75 | 76% | 0.759 | 43% | 0.431 | S | S | * | . | trans | -63.1 | 127.7 | -175.5 | -173 | 36.7 | 0 | 0 | 0 | 111.1 | R237 | R237-D251 PolarHBondContact NH1-O 2.82Š| ||
| 252 | L | 92.5 | Very high | 91.6 | Very high | 36 Ų | 36 | 76.2 Ų | 76.2 | 19% | 0.188 | 43% | 0.433 | C | S | . | . | trans | -162.6 | 129.2 | -172.4 | -171.6 | 70.1 | 0 | 0 | 0 | 110 | F235 L250 A254 F255 Q283 F284 | F235-L252 HydrophobicContact CB-CD2 3.8Å; L250-L252 PolarHBondContact O-N 2.91Å; L252-A254 WeakPolarHBondContact CD2-O 3.44Å; L252-A254 WeakPolarHBondContact CG-O 3.31Å; L252-F255 HydrophobicContact CD2-CB 4.29Å; L252-F255 HydrophobicContact CD2-CD2 4.08Å; L252-Q283 HydrophobicContact CD1-CB 4.29Å; L252-F284 HydrophobicContact CD1-CD1 3.95Å; L252-F284 HydrophobicContact CD1-CE1 4.28Å | ||
| 253 | E | 85.1 | Confident | 92.1 | Very high | 204 Ų | 204 | 71.5 Ų | 71.5 | 95% | 0.953 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -69 | -44.8 | 176.9 | -64.9 | -173.3 | 174.3 | 0 | 0 | 112.3 | ||
| 254 | A | 87 | Confident | 92.6 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 55% | 0.554 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -148.6 | 137.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | L252 P256 | L252-A254 WeakPolarHBondContact CD2-O 3.44Å; L252-A254 WeakPolarHBondContact CG-O 3.31Å; A254-P256 WeakPolarHBondContact O-CD 3.4Å |
| 255 | F | 96.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | trans | -73.5 | 118.2 | 178.4 | -171.8 | -105.9 | 0 | 0 | 0 | 111.6 | P228 L230 R233 V234 F235 L252 F257 | P228-F255 HydrophobicContact CB-CE2 4.17Å; P228-F255 HydrophobicContact CB-CZ 4Å; L230-F255 HydrophobicContact CB-CE1 4.33Å; L230-F255 HydrophobicContact CB-CZ 4.48Å; L230-F255 HydrophobicContact CG-CE1 4.11Å; L230-F255 HydrophobicContact CG-CZ 4.16Å; R233-F255 HydrophobicContact CB-CB 4.13Å; R233-F255 HydrophobicContact CB-CD1 4.14Å; R233-F255 HydrophobicContact CB-CG 4.01Å; R233-F255 HydrophobicContact CG-CD1 4.33Å; R233-F255 WeakPolarHBondContact O-CD2 3.38Å; V234-F255 VanDerWaalsContact O-CE2 3.29Å; V234-F255 WeakPolarHBondContact O-CE2 3.38Å; F235-F255 HydrophobicContact CB-CD2 4.34Å; F235-F255 HydrophobicContact CB-CE2 4.22Å; L252-F255 HydrophobicContact CD2-CB 4.29Å; L252-F255 HydrophobicContact CD2-CD2 4.08Å; F255-F257 WeakPolarHBondContact CD1-O 3.23Å; F255-F257 HydrophobicContact CE1-CB 3.77Å; F255-F257 WeakPolarHBondContact CE1-O 3.36Å; F255-F257 HydrophobicContact CE2-CD2 4.31Å; F255-F257 HydrophobicContact CZ-CB 4.02Å; F255-F257 HydrophobicContact CZ-CD2 4.09Å; F255-F257 PolarHBondContact O-N 3.04Å | ||
| 256 | P | 94.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 54 Ų | 54 | 20% | 0.201 | 32% | 0.316 | C | S | . | . | trans | -92.9 | 5.4 | -164.9 | 37 | -38.3 | 0 | 0 | 0 | 114.8 | F235 A254 V278 Q283 | F235-P256 HydrophobicContact CD1-CG 4.18Å; F235-P256 HydrophobicContact CE1-CG 4.48Å; A254-P256 WeakPolarHBondContact O-CD 3.4Å; P256-V278 HydrophobicContact CB-CB 3.93Å; P256-V278 HydrophobicContact CB-CG1 3.9Å; P256-V278 HydrophobicContact CB-CG2 4.48Å; P256-V278 HydrophobicContact CG-CB 4.1Å; P256-V278 HydrophobicContact CG-CG1 4.24Å; P256-V278 HydrophobicContact CG-CG2 4.1Å; P256-Q283 HydrophobicContact CG-CG 4.24Å; P256-Q283 VanDerWaalsContact CG-OE1 3.31Å | ||
| 257 | F | 96.7 | Very high | 93.9 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | trans | -116.4 | 147.8 | -178.9 | -56.5 | -81.4 | 0 | 0 | 0 | 112 | F210 P228 L230 F235 F255 F263 M265 V278 | F210-F257 AromaticContact CE1-CD1 3.91Å; F210-F257 HydrophobicContact CE1-CD1 3.91Å; F210-F257 HydrophobicContact CE1-CE1 4.04Å; F210-F257 HydrophobicContact CE1-CG 4.18Å; F210-F257 HydrophobicContact CE1-CZ 4.41Å; F210-F257 AromaticContact CZ-CD1 3.96Å; F210-F257 HydrophobicContact CZ-CD1 3.96Å; F210-F257 AromaticContact CZ-CE1 3.6Å; F210-F257 HydrophobicContact CZ-CE1 3.6Å; F210-F257 HydrophobicContact CZ-CE2 4.41Å; F210-F257 AromaticContact CZ-CZ 3.85Å; F210-F257 HydrophobicContact CZ-CZ 3.85Å; P228-F257 HydrophobicContact CB-CD2 3.48Å; P228-F257 VanDerWaalsContact CB-CD2 3.48Å; P228-F257 HydrophobicContact CB-CE2 3.7Å; P228-F257 HydrophobicContact CB-CG 4.18Å; P228-F257 HydrophobicContact CG-CD2 3.63Å; P228-F257 HydrophobicContact CG-CE2 3.25Å; P228-F257 HydrophobicContact CG-CG 4.44Å; P228-F257 HydrophobicContact CG-CZ 3.84Å; L230-F257 HydrophobicContact CD2-CB 4.46Å; L230-F257 HydrophobicContact CG-CB 4.38Å; F235-F257 AromaticContact CD1-CE2 3.8Å; F235-F257 HydrophobicContact CD1-CE2 3.8Å; F235-F257 AromaticContact CE1-CE2 3.53Å; F235-F257 HydrophobicContact CE1-CE2 3.53Å; F235-F257 HydrophobicContact CE1-CZ 4.09Å; F235-F257 HydrophobicContact CZ-CE2 4.03Å; F235-F257 HydrophobicContact CZ-CZ 4.38Å; F255-F257 WeakPolarHBondContact CD1-O 3.23Å; F255-F257 HydrophobicContact CE1-CB 3.77Å; F255-F257 WeakPolarHBondContact CE1-O 3.36Å; F255-F257 HydrophobicContact CE2-CD2 4.31Å; F255-F257 HydrophobicContact CZ-CB 4.02Å; F255-F257 HydrophobicContact CZ-CD2 4.09Å; F255-F257 PolarHBondContact O-N 3.04Å; F257-F263 HydrophobicContact CD1-CB 4.08Å; F257-F263 HydrophobicContact CD1-CD1 4.38Å; F257-F263 HydrophobicContact CD1-CG 4.16Å; F257-F263 HydrophobicContact CE1-CB 3.88Å; F257-F263 HydrophobicContact CE1-CD1 4.33Å; F257-F263 AromaticContact CE1-CD2 3.95Å; F257-F263 HydrophobicContact CE1-CD2 3.95Å; F257-F263 AromaticContact CE1-CG 3.79Å; F257-F263 HydrophobicContact CE1-CG 3.79Å; F257-M265 HydrophobicContact CE1-CE 4.27Å; F257-M265 HydrophobicContact CE2-CE 4.43Å; F257-M265 HydrophobicContact CZ-CE 3.56Å; F257-V278 HydrophobicContact CD1-CG1 4.43Å; F257-V278 HydrophobicContact CE1-CG1 3.76Å; F257-V278 HydrophobicContact CE1-CG2 4.28Å; F257-V278 HydrophobicContact CE2-CG2 4.19Å; F257-V278 HydrophobicContact CZ-CB 4.37Å; F257-V278 HydrophobicContact CZ-CG1 3.86Å; F257-V278 HydrophobicContact CZ-CG2 3.57Å | ||
| 258 | A | 93.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | trans | -133.8 | 154.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | T203 E261 | T203-A258 PolarHBondContact OG1-O 2.95Å; A258-E261 HydrophobicContact CB-CB 4.15Å; A258-E261 HydrophobicContact CB-CG 3.72Å | ||
| 259 | A | 95.9 | Very high | 94 | Very high | 44 Ų | 44 | 48 Ų | 48 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 138 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T203 P205 A207 L230 E261 | T203-A259 WeakPolarHBondContact OG1-CA 3.46Å; P205-A259 WeakPolarHBondContact O-CB 3.35Å; A207-A259 HydrophobicContact CB-CB 4.46Å; L230-A259 HydrophobicContact CD2-CB 4.14Å; A259-E261 PolarHBondContact O-N 3.49Å |
| 260 | G | 90 | Very high | 93.7 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 19% | 0.186 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -0.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q202 T203 S204 | Q202-G260 PolarHBondContact NE2-O 2.84Å; T203-G260 WeakPolarHBondContact O-CA 3.34Å; T203-G260 PolarHBondContact O-N 2.72Å; T203-G260 PolarHBondContact OG1-N 2.8Å; S204-G260 PolarHBondContact O-N 3.11Å |
| 261 | E | 89.6 | Confident | 93.3 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | trans | -100.6 | 150.5 | -171.9 | -67.6 | -63.8 | 156.4 | 0 | 0 | 112.5 | V54 Q202 T203 A258 A259 | V54-E261 WeakPolarHBondContact CG2-OE2 3.17Å; Q202-E261 WeakPolarHBondContact CA-O 3.46Å; T203-E261 PolarHBondContact N-O 2.97Å; T203-E261 PolarHBondContact OG1-N 2.68Å; T203-E261 PolarHBondContact OG1-O 2.73Å; A258-E261 HydrophobicContact CB-CB 4.15Å; A258-E261 HydrophobicContact CB-CG 3.72Å; A259-E261 PolarHBondContact O-N 3.49Å | ||
| 262 | Y | 93.5 | Very high | 93.2 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 147.7 | 172.6 | 170.3 | -92 | 0 | 0 | 0 | 111.3 | K200 G201 E264 M308 | K200-Y262 HydrophobicContact CB-CE2 4.26Å; K200-Y262 WeakPolarHBondContact CD-OH 3.29Å; G201-Y262 CarbonylContact O-C 3.47Å; G201-Y262 WeakPolarHBondContact O-CA 3.22Å; G201-Y262 WeakPolarHBondContact O-CD2 3.31Å; Y262-E264 HydrophobicContact CE1-CB 4.19Å; Y262-M308 HydrophobicContact CD2-SD 3.96Å; Y262-M308 HydrophobicContact CE2-SD 4.2Å |
| 263 | F | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 148.7 | 164.5 | 71.9 | -88.8 | 0 | 0 | 0 | 112.6 | I199 K200 G201 T203 F210 F257 M265 V278 N279 V305 | I199-F263 HydrophobicContact CG2-CE2 4.08Å; I199-F263 HydrophobicContact CG2-CZ 4.44Å; K200-F263 WeakPolarHBondContact CA-O 3.4Å; G201-F263 PolarHBondContact N-O 3.29Å; G201-F263 WeakPolarHBondContact O-CD1 3.44Å; G201-F263 PolarHBondContact O-N 3.15Å; T203-F263 HydrophobicContact CG2-CD1 4.11Å; T203-F263 HydrophobicContact CG2-CE1 4.28Å; F210-F263 HydrophobicContact CE2-CE2 4.39Å; F210-F263 AromaticContact CE2-CZ 3.99Å; F210-F263 HydrophobicContact CE2-CZ 3.99Å; F210-F263 HydrophobicContact CZ-CE1 4.2Å; F210-F263 HydrophobicContact CZ-CE2 4.34Å; F210-F263 HydrophobicContact CZ-CZ 4.02Å; F257-F263 HydrophobicContact CD1-CB 4.08Å; F257-F263 HydrophobicContact CD1-CD1 4.38Å; F257-F263 HydrophobicContact CD1-CG 4.16Å; F257-F263 HydrophobicContact CE1-CB 3.88Å; F257-F263 HydrophobicContact CE1-CD1 4.33Å; F257-F263 AromaticContact CE1-CD2 3.95Å; F257-F263 HydrophobicContact CE1-CD2 3.95Å; F257-F263 AromaticContact CE1-CG 3.79Å; F257-F263 HydrophobicContact CE1-CG 3.79Å; F263-M265 HydrophobicContact CD2-CB 4Å; F263-M265 HydrophobicContact CE2-CB 4.1Å; F263-V278 HydrophobicContact CB-CG1 4.4Å; F263-N279 WeakPolarHBondContact CA-OD1 3.28Å; F263-V305 HydrophobicContact CE1-CG2 3.5Å; F263-V305 VanDerWaalsContact CE1-CG2 3.5Å; F263-V305 HydrophobicContact CZ-CG2 3.73Å |
| 264 | E | 96 | Very high | 94 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115 | 159.4 | -177.3 | 174.8 | 101.4 | 0 | 0 | 108 | T20 I198 K200 Y262 I266 V278 N279 | T20-E264 WeakPolarHBondContact CB-OE1 3.27Å; T20-E264 PolarHBondContact N-OE1 3.35Å; T20-E264 PolarHBondContact OG1-OE1 2.86Å; I198-E264 HydrophobicContact CG2-CG 4.11Å; K200-E264 WeakPolarHBondContact CE-OE2 3.4Å; K200-E264 HydrophobicContact CG-CB 4.47Å; K200-E264 HydrophobicContact CG-CG 4.21Å; K200-E264 IonicContact NZ-OE2 2.96Å; K200-E264 PolarHBondContact NZ-OE2 2.68Å; Y262-E264 HydrophobicContact CE1-CB 4.19Å; E264-I266 HydrophobicContact CG-CG1 4.34Å; E264-V278 CarbonylContact O-C 3.58Å; E264-V278 VanDerWaalsContact O-CA 3.28Å; E264-V278 WeakPolarHBondContact O-CA 3.4Å; E264-N279 PolarHBondContact N-OD1 2.88Å; E264-N279 PolarHBondContact O-N 2.82Å |
| 265 | M | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.4 | 172.4 | -179.8 | -173.5 | -67.3 | 0 | 0 | 109.3 | I198 I199 F210 V212 L226 F235 F257 F263 V267 V276 A277 V278 | I198-M265 WeakPolarHBondContact CA-O 3.33Å; I199-M265 HydrophobicContact CB-CB 4.43Å; I199-M265 HydrophobicContact CD1-SD 4.49Å; I199-M265 PolarHBondContact N-O 2.85Å; I199-M265 PolarHBondContact O-N 2.79Å; F210-M265 HydrophobicContact CE2-CE 4.12Å; F210-M265 HydrophobicContact CZ-CE 4.15Å; V212-M265 HydrophobicContact CB-SD 4.32Å; V212-M265 HydrophobicContact CG1-SD 4.43Å; V212-M265 HydrophobicContact CG2-CE 4.29Å; V212-M265 HydrophobicContact CG2-SD 4Å; L226-M265 HydrophobicContact CD1-SD 3.87Å; F235-M265 HydrophobicContact CZ-CE 3.84Å; F257-M265 HydrophobicContact CE1-CE 4.27Å; F257-M265 HydrophobicContact CE2-CE 4.43Å; F257-M265 HydrophobicContact CZ-CE 3.56Å; F263-M265 HydrophobicContact CD2-CB 4Å; F263-M265 HydrophobicContact CE2-CB 4.1Å; M265-V267 HydrophobicContact CG-CG2 4.31Å; M265-V267 HydrophobicContact SD-CG2 4.22Å; M265-V276 HydrophobicContact CG-CG1 4.31Å; M265-A277 WeakPolarHBondContact CA-O 3.35Å; M265-V278 HydrophobicContact CG-CG2 4.37Å |
| 266 | I | 95.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123 | 174.4 | -57.6 | -176.5 | 0 | 0 | 0 | 108.5 | T20 L22 I197 I198 E264 V276 A277 | T20-I266 HydrophobicContact CG2-CD1 3.74Å; T20-I266 WeakPolarHBondContact OG1-CD1 3.32Å; L22-I266 HydrophobicContact CD2-CD1 4.01Å; L22-I266 HydrophobicContact CD2-CG2 4.04Å; I197-I266 WeakPolarHBondContact O-CA 3.41Å; I198-I266 HydrophobicContact CG1-CG1 4.25Å; I198-I266 HydrophobicContact CG2-CG1 4.42Å; E264-I266 HydrophobicContact CG-CG1 4.34Å; I266-V276 WeakPolarHBondContact O-CA 3.46Å; I266-A277 PolarHBondContact N-O 2.8Å; I266-A277 PolarHBondContact O-N 2.87Å |
| 267 | V | 97.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 97.8 | 171.3 | -173.7 | 0 | 0 | 0 | 0 | 107.5 | S196 I197 L214 L224 L226 M265 F274 V276 | S196-V267 WeakPolarHBondContact CA-O 3.21Å; I197-V267 HydrophobicContact CB-CB 4.46Å; I197-V267 PolarHBondContact N-O 3.34Å; I197-V267 PolarHBondContact O-N 3.22Å; L214-V267 HydrophobicContact CD1-CG1 4.08Å; L224-V267 HydrophobicContact CD2-CG1 3.78Å; L226-V267 HydrophobicContact CD1-CG2 3.76Å; M265-V267 HydrophobicContact CG-CG2 4.31Å; M265-V267 HydrophobicContact SD-CG2 4.22Å; V267-F274 HydrophobicContact CG1-CB 4.28Å; V267-F274 HydrophobicContact CG1-CD1 3.97Å; V267-F274 HydrophobicContact CG1-CG 4.37Å; V267-V276 HydrophobicContact CG2-CG2 4.47Å |
| 268 | R | 95.6 | Very high | 94.3 | Very high | 74 Ų | 74 | 38.3 Ų | 38.3 | 28% | 0.279 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 133.1 | 177.3 | 177.1 | 176.2 | 172.8 | 151.7 | 5 | 110 | D270 F274 R275 | R268-D270 IonicContact CZ-OD1 3.87Å; R268-D270 IonicContact NE-OD1 2.91Å; R268-D270 PolarHBondContact NE-OD1 3.09Å; R268-D270 IonicContact NE-OD2 3.62Å; R268-D270 IonicContact NH2-OD1 3.66Å; R268-F274 CarbonylContact O-C 3.47Å; R268-F274 VanDerWaalsContact O-CA 3.3Å; R268-F274 WeakPolarHBondContact O-CA 3.29Å; R268-R275 HydrophobicContact CB-CB 4.3Å; R268-R275 PolarHBondContact N-O 3.11Å; R268-R275 PolarHBondContact O-N 2.78Å |
| 269 | C | 93.8 | Very high | 94 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 105.5 | 176.8 | -167.7 | 0 | 0 | 0 | 0 | 109.8 | V193 G194 R195 F274 L293 | V193-C269 CarbonylContact C-O 3.56Å; V193-C269 WeakPolarHBondContact CA-O 3.35Å; G194-C269 PolarHBondContact N-O 2.79Å; R195-C269 WeakPolarHBondContact O-CB 3.45Å; R195-C269 PolarHBondContact O-N 3.3Å; C269-F274 HydrophobicContact CB-CD1 4.28Å; C269-F274 HydrophobicContact CB-CE1 4.14Å; C269-L293 WeakPolarHBondContact SG-CD1 3.31Å |
| 270 | D | 91.9 | Very high | 93 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | trans | -100 | 176.1 | 172.9 | -76.1 | -19.4 | 0 | 0 | 0 | 110.6 | R268 R272 H273 H288 | R268-D270 IonicContact CZ-OD1 3.87Å; R268-D270 IonicContact NE-OD1 2.91Å; R268-D270 PolarHBondContact NE-OD1 3.09Å; R268-D270 IonicContact NE-OD2 3.62Å; R268-D270 IonicContact NH2-OD1 3.66Å; D270-R272 PolarHBondContact O-N 2.85Å; D270-R272 VanDerWaalsContact O-N 3.16Å; D270-H273 PolarHBondContact N-O 3.3Å; D270-H273 IonicContact OD2-NE2 3.74Å; D270-H288 PolarHBondContact O-NE2 3.18Å | ||
| 271 | A | 88.7 | Confident | 92.4 | Very high | 71 Ų | 71 | 37.2 Ų | 37.2 | 59% | 0.587 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -63 | -24.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V193 | V193-A271 HydrophobicContact CG1-CB 4.25Å; V193-A271 HydrophobicContact CG2-CB 4.48Å |
| 272 | R | 90.3 | Very high | 92.4 | Very high | 202 Ų | 202 | 38.3 Ų | 38.3 | 76% | 0.762 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -129.6 | -13.8 | -173.6 | -64 | -176.6 | 179.4 | 179.2 | -0 | 114.6 | D270 H288 | D270-R272 PolarHBondContact O-N 2.85Å; D270-R272 VanDerWaalsContact O-N 3.16Å; R272-H288 PolarHBondContact O-N 2.73Å |
| 273 | H | 96.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 18% | 0.181 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 161.3 | -175.4 | 58.5 | -92.2 | 0 | 0 | 0 | 110.6 | D270 D285 Y286 H288 | D270-H273 PolarHBondContact N-O 3.3Å; D270-H273 IonicContact OD2-NE2 3.74Å; H273-D285 HydrophobicContact CB-CB 4.37Å; H273-D285 IonicContact CD2-OD1 3.74Å; H273-D285 PolarHBondContact CD2-OD1 3.42Å; H273-D285 IonicContact CD2-OD2 3.34Å; H273-D285 IonicContact CE1-OD2 3.41Å; H273-D285 IonicContact NE2-OD1 3.71Å; H273-D285 PolarHBondContact NE2-OD1 2.81Å; H273-D285 IonicContact NE2-OD2 2.97Å; H273-D285 PolarHBondContact NE2-OD2 2.58Å; H273-Y286 CarbonylContact C-O 3.51Å; H273-Y286 WeakPolarHBondContact CA-O 3.38Å; H273-Y286 VanDerWaalsContact CB-O 3.24Å; H273-Y286 WeakPolarHBondContact CB-O 3.32Å; H273-H288 PolarHBondContact N-CD2 2.97Å; H273-H288 PolarHBondContact N-NE2 3.01Å; H273-H288 PolarHBondContact O-CE1 2.85Å; H273-H288 VanDerWaalsContact O-CE1 3.25Å; H273-H288 PolarHBondContact O-NE2 2.99Å |
| 274 | F | 98.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 134.4 | 159.3 | -64.6 | -74.2 | 0 | 0 | 0 | 109 | L191 L214 V223 L224 V267 R268 C269 D285 Y286 H288 L293 | L191-F274 HydrophobicContact CD1-CE1 3.78Å; L191-F274 HydrophobicContact CD1-CZ 4.25Å; L214-F274 HydrophobicContact CD1-CD1 4.35Å; L214-F274 HydrophobicContact CD1-CE1 3.88Å; L214-F274 HydrophobicContact CD1-CZ 4.08Å; V223-F274 HydrophobicContact CG1-CE2 4.3Å; V223-F274 HydrophobicContact CG1-CZ 4.48Å; L224-F274 HydrophobicContact CB-CD2 4.27Å; L224-F274 HydrophobicContact CB-CE2 4.17Å; L224-F274 HydrophobicContact CD1-CD2 4.38Å; L224-F274 HydrophobicContact CD2-CB 4.08Å; L224-F274 HydrophobicContact CD2-CD1 4.43Å; L224-F274 HydrophobicContact CD2-CD2 3.9Å; L224-F274 HydrophobicContact CD2-CE2 4.46Å; L224-F274 HydrophobicContact CD2-CG 3.87Å; L224-F274 HydrophobicContact CG-CD2 4.42Å; V267-F274 HydrophobicContact CG1-CB 4.28Å; V267-F274 HydrophobicContact CG1-CD1 3.97Å; V267-F274 HydrophobicContact CG1-CG 4.37Å; R268-F274 CarbonylContact O-C 3.47Å; R268-F274 VanDerWaalsContact O-CA 3.3Å; R268-F274 WeakPolarHBondContact O-CA 3.29Å; C269-F274 HydrophobicContact CB-CD1 4.28Å; C269-F274 HydrophobicContact CB-CE1 4.14Å; F274-D285 CarbonylContact O-C 3.43Å; F274-D285 WeakPolarHBondContact O-CA 3.23Å; F274-Y286 HydrophobicContact CD2-CD1 4.27Å; F274-Y286 PolarHBondContact N-O 3.36Å; F274-Y286 PolarHBondContact O-N 3.27Å; F274-H288 AromaticContact CD1-CE1 3.95Å; F274-H288 AromaticContact CD2-CE1 3.59Å; F274-H288 AromaticContact CD2-ND1 3.42Å; F274-H288 WeakPolarHBondContact CD2-ND1 3.47Å; F274-H288 AromaticContact CE1-CE1 3.93Å; F274-H288 AromaticContact CE2-CE1 3.59Å; F274-H288 AromaticContact CE2-ND1 3.33Å; F274-H288 VanDerWaalsContact CE2-ND1 3.33Å; F274-H288 WeakPolarHBondContact CE2-ND1 3.39Å; F274-H288 AromaticContact CG-CE1 3.78Å; F274-H288 AromaticContact CZ-CE1 3.76Å; F274-H288 AromaticContact CZ-ND1 3.91Å; F274-H288 PolarHBondContact N-CE1 3.11Å; F274-H288 VanDerWaalsContact N-CE1 3.33Å; F274-L293 HydrophobicContact CE1-CD2 4.28Å; F274-L293 HydrophobicContact CZ-CD2 3.79Å |
| 275 | R | 97.8 | Very high | 92.6 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 37% | 0.37 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.4 | 170.8 | 175.7 | 163.6 | -67.2 | 173.9 | 1.8 | 108.8 | R268 D285 | R268-R275 HydrophobicContact CB-CB 4.3Å; R268-R275 PolarHBondContact N-O 3.11Å; R268-R275 PolarHBondContact O-N 2.78Å; R275-D285 WeakPolarHBondContact CB-OD1 3.16Å; R275-D285 WeakPolarHBondContact CG-OD1 3.34Å; R275-D285 IonicContact CZ-OD1 3.98Å; R275-D285 IonicContact CZ-OD2 3.73Å; R275-D285 IonicContact NE-OD1 2.89Å; R275-D285 PolarHBondContact NE-OD1 3.5Å; R275-D285 IonicContact NE-OD2 3.69Å; R275-D285 IonicContact NH2-OD1 3.22Å; R275-D285 IonicContact NH2-OD2 3.79Å; R275-D285 PolarHBondContact NH2-OD2 3.03Å |
| 276 | V | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.8 | -179.8 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | L226 M265 I266 V267 Q283 F284 | L226-V276 HydrophobicContact CD1-CG1 4.3Å; L226-V276 HydrophobicContact CD1-CG2 3.98Å; L226-V276 HydrophobicContact CD2-CG2 4.27Å; M265-V276 HydrophobicContact CG-CG1 4.31Å; I266-V276 WeakPolarHBondContact O-CA 3.46Å; V267-V276 HydrophobicContact CG2-CG2 4.47Å; V276-Q283 PolarHBondContact O-N 2.84Å; V276-F284 HydrophobicContact CB-CD2 4Å; V276-F284 HydrophobicContact CB-CE2 3.55Å; V276-F284 HydrophobicContact CB-CZ 4Å; V276-F284 HydrophobicContact CG1-CE2 4.09Å; V276-F284 HydrophobicContact CG1-CZ 4.03Å; V276-F284 HydrophobicContact CG2-CD2 4.16Å; V276-F284 HydrophobicContact CG2-CE2 3.54Å; V276-F284 HydrophobicContact CG2-CZ 4.28Å; V276-F284 PolarHBondContact N-O 3.1Å; V276-F284 PolarHBondContact O-N 2.92Å |
| 277 | A | 92.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | M265 I266 C281 | M265-A277 WeakPolarHBondContact CA-O 3.35Å; I266-A277 PolarHBondContact N-O 2.8Å; I266-A277 PolarHBondContact O-N 2.87Å; A277-C281 CarbonylContact C-O 3.6Å; A277-C281 VanDerWaalsContact CA-O 3.26Å; A277-C281 WeakPolarHBondContact CA-O 3.42Å; A277-C281 WeakPolarHBondContact CB-O 3.5Å |
| 278 | V | 92.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125 | 175.4 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | F235 P256 F257 F263 E264 M265 G280 C281 Q283 | F235-V278 HydrophobicContact CE1-CG2 4.33Å; P256-V278 HydrophobicContact CB-CB 3.93Å; P256-V278 HydrophobicContact CB-CG1 3.9Å; P256-V278 HydrophobicContact CB-CG2 4.48Å; P256-V278 HydrophobicContact CG-CB 4.1Å; P256-V278 HydrophobicContact CG-CG1 4.24Å; P256-V278 HydrophobicContact CG-CG2 4.1Å; F257-V278 HydrophobicContact CD1-CG1 4.43Å; F257-V278 HydrophobicContact CE1-CG1 3.76Å; F257-V278 HydrophobicContact CE1-CG2 4.28Å; F257-V278 HydrophobicContact CE2-CG2 4.19Å; F257-V278 HydrophobicContact CZ-CB 4.37Å; F257-V278 HydrophobicContact CZ-CG1 3.86Å; F257-V278 HydrophobicContact CZ-CG2 3.57Å; F263-V278 HydrophobicContact CB-CG1 4.4Å; E264-V278 CarbonylContact O-C 3.58Å; E264-V278 VanDerWaalsContact O-CA 3.28Å; E264-V278 WeakPolarHBondContact O-CA 3.4Å; M265-V278 HydrophobicContact CG-CG2 4.37Å; V278-G280 PolarHBondContact O-N 2.99Å; V278-C281 PolarHBondContact N-O 2.92Å; V278-C281 PolarHBondContact O-N 2.88Å; V278-Q283 HydrophobicContact CB-CG 4.02Å; V278-Q283 HydrophobicContact CG2-CG 3.86Å |
| 279 | N | 85.8 | Confident | 92.4 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 48.5 | 179.5 | -68.4 | -23.8 | 0 | 0 | 0 | 112.6 | G51 S52 F263 E264 C281 | G51-N279 CarbonylContact C-O 3.59Å; G51-N279 WeakPolarHBondContact CA-O 3.06Å; S52-N279 PolarHBondContact N-O 2.92Å; S52-N279 WeakPolarHBondContact OG-CA 3.4Å; S52-N279 WeakPolarHBondContact OG-CB 3.46Å; S52-N279 PolarHBondContact OG-OD1 2.77Å; F263-N279 WeakPolarHBondContact CA-OD1 3.28Å; E264-N279 PolarHBondContact N-OD1 2.88Å; E264-N279 PolarHBondContact O-N 2.82Å; N279-C281 PolarHBondContact O-N 3.35Å; N279-C281 VanDerWaalsContact O-N 3.07Å |
| 280 | G | 76.6 | Confident | 92.2 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -36.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | V278 H282 | V278-G280 PolarHBondContact O-N 2.99Å; G280-H282 PolarHBondContact O-N 3.09Å |
| 281 | C | 76 | Confident | 92.1 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 127.8 | -175.7 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | A277 V278 N279 Q283 | A277-C281 CarbonylContact C-O 3.6Å; A277-C281 VanDerWaalsContact CA-O 3.26Å; A277-C281 WeakPolarHBondContact CA-O 3.42Å; A277-C281 WeakPolarHBondContact CB-O 3.5Å; V278-C281 PolarHBondContact N-O 2.92Å; V278-C281 PolarHBondContact O-N 2.88Å; N279-C281 PolarHBondContact O-N 3.35Å; N279-C281 VanDerWaalsContact O-N 3.07Å; C281-Q283 PolarHBondContact O-NE2 3.27Å |
| 282 | H | 89.9 | Confident | 92.1 | Very high | 102 Ų | 102 | 55.1 Ų | 55.1 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 137.6 | 167.5 | 178.9 | 66.6 | 0 | 0 | 0 | 111.2 | G280 F284 D285 | G280-H282 PolarHBondContact O-N 3.09Å; H282-F284 PolarHBondContact CE1-O 2.76Å; H282-D285 IonicContact CE1-OD1 2.68Å; H282-D285 PolarHBondContact CE1-OD1 3.04Å; H282-D285 IonicContact NE2-OD1 3.88Å |
| 283 | Q | 95.3 | Very high | 92.1 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -53.2 | 179.7 | -57.2 | -56.1 | -59.9 | 0 | 0 | 111.6 | L252 P256 V276 V278 C281 | L252-Q283 HydrophobicContact CD1-CB 4.29Å; P256-Q283 HydrophobicContact CG-CG 4.24Å; P256-Q283 VanDerWaalsContact CG-OE1 3.31Å; V276-Q283 PolarHBondContact O-N 2.84Å; V278-Q283 HydrophobicContact CB-CG 4.02Å; V278-Q283 HydrophobicContact CG2-CG 3.86Å; C281-Q283 PolarHBondContact O-NE2 3.27Å |
| 284 | F | 96.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 162.1 | -179.9 | 46.1 | -100.7 | 0 | 0 | 0 | 111.7 | L226 F235 R237 L252 V276 H282 | L226-F284 HydrophobicContact CD2-CE2 3.89Å; L226-F284 HydrophobicContact CD2-CZ 4.02Å; F235-F284 HydrophobicContact CB-CE1 4.46Å; F235-F284 AromaticContact CD1-CE1 3.46Å; F235-F284 HydrophobicContact CD1-CE1 3.46Å; F235-F284 VanDerWaalsContact CD1-CE1 3.46Å; F235-F284 AromaticContact CD1-CZ 3.9Å; F235-F284 HydrophobicContact CD1-CZ 3.9Å; F235-F284 HydrophobicContact CD2-CE1 4.38Å; F235-F284 HydrophobicContact CD2-CZ 4.27Å; F235-F284 AromaticContact CE1-CE1 3.62Å; F235-F284 HydrophobicContact CE1-CE1 3.62Å; F235-F284 AromaticContact CE1-CZ 3.64Å; F235-F284 HydrophobicContact CE1-CZ 3.64Å; F235-F284 HydrophobicContact CE2-CZ 4.05Å; F235-F284 AromaticContact CG-CE1 3.87Å; F235-F284 HydrophobicContact CG-CE1 3.87Å; F235-F284 HydrophobicContact CG-CZ 4.2Å; F235-F284 HydrophobicContact CZ-CE1 4.17Å; F235-F284 AromaticContact CZ-CZ 3.73Å; F235-F284 HydrophobicContact CZ-CZ 3.73Å; R237-F284 HydrophobicContact CG-CD2 4.11Å; R237-F284 HydrophobicContact CG-CE1 4.23Å; R237-F284 HydrophobicContact CG-CE2 3.42Å; R237-F284 VanDerWaalsContact CG-CE2 3.42Å; R237-F284 HydrophobicContact CG-CZ 3.5Å; R237-F284 VanDerWaalsContact CG-CZ 3.5Å; L252-F284 HydrophobicContact CD1-CD1 3.95Å; L252-F284 HydrophobicContact CD1-CE1 4.28Å; V276-F284 HydrophobicContact CB-CD2 4Å; V276-F284 HydrophobicContact CB-CE2 3.55Å; V276-F284 HydrophobicContact CB-CZ 4Å; V276-F284 HydrophobicContact CG1-CE2 4.09Å; V276-F284 HydrophobicContact CG1-CZ 4.03Å; V276-F284 HydrophobicContact CG2-CD2 4.16Å; V276-F284 HydrophobicContact CG2-CE2 3.54Å; V276-F284 HydrophobicContact CG2-CZ 4.28Å; V276-F284 PolarHBondContact N-O 3.1Å; V276-F284 PolarHBondContact O-N 2.92Å; H282-F284 PolarHBondContact CE1-O 2.76Å |
| 285 | D | 97.6 | Very high | 91.4 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.4 | 164.6 | -70 | -24.1 | 0 | 0 | 0 | 109.2 | H273 F274 R275 H282 | H273-D285 HydrophobicContact CB-CB 4.37Å; H273-D285 IonicContact CD2-OD1 3.74Å; H273-D285 PolarHBondContact CD2-OD1 3.42Å; H273-D285 IonicContact CD2-OD2 3.34Å; H273-D285 IonicContact CE1-OD2 3.41Å; H273-D285 IonicContact NE2-OD1 3.71Å; H273-D285 PolarHBondContact NE2-OD1 2.81Å; H273-D285 IonicContact NE2-OD2 2.97Å; H273-D285 PolarHBondContact NE2-OD2 2.58Å; F274-D285 CarbonylContact O-C 3.43Å; F274-D285 WeakPolarHBondContact O-CA 3.23Å; R275-D285 WeakPolarHBondContact CB-OD1 3.16Å; R275-D285 WeakPolarHBondContact CG-OD1 3.34Å; R275-D285 IonicContact CZ-OD1 3.98Å; R275-D285 IonicContact CZ-OD2 3.73Å; R275-D285 IonicContact NE-OD1 2.89Å; R275-D285 PolarHBondContact NE-OD1 3.5Å; R275-D285 IonicContact NE-OD2 3.69Å; R275-D285 IonicContact NH2-OD1 3.22Å; R275-D285 IonicContact NH2-OD2 3.79Å; R275-D285 PolarHBondContact NH2-OD2 3.03Å; H282-D285 IonicContact CE1-OD1 2.68Å; H282-D285 PolarHBondContact CE1-OD1 3.04Å; H282-D285 IonicContact NE2-OD1 3.88Å |
| 286 | Y | 98.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 110.1 | 175.4 | -176.7 | -95.8 | 0 | 0 | 0 | 109.7 | L224 R237 N238 S239 E249 H273 F274 H288 R289 | L224-Y286 HydrophobicContact CD1-CD1 3.34Å; L224-Y286 HydrophobicContact CD1-CD2 4.32Å; L224-Y286 HydrophobicContact CD1-CE1 3.66Å; L224-Y286 HydrophobicContact CD1-CG 3.67Å; R237-Y286 HydrophobicContact CB-CD2 3.7Å; R237-Y286 HydrophobicContact CB-CE2 3.86Å; N238-Y286 WeakPolarHBondContact CA-OH 3.2Å; N238-Y286 PolarHBondContact O-OH 3.37Å; S239-Y286 PolarHBondContact N-OH 3.4Å; S239-Y286 VanDerWaalsContact N-OH 3.15Å; S239-Y286 PolarHBondContact OG-OH 3.23Å; E249-Y286 HydrophobicContact CG-CE2 4.5Å; E249-Y286 WeakPolarHBondContact OE1-CE2 3.34Å; E249-Y286 WeakPolarHBondContact OE2-CD2 3.34Å; H273-Y286 CarbonylContact C-O 3.51Å; H273-Y286 WeakPolarHBondContact CA-O 3.38Å; H273-Y286 VanDerWaalsContact CB-O 3.24Å; H273-Y286 WeakPolarHBondContact CB-O 3.32Å; F274-Y286 HydrophobicContact CD2-CD1 4.27Å; F274-Y286 PolarHBondContact N-O 3.36Å; F274-Y286 PolarHBondContact O-N 3.27Å; Y286-H288 PolarHBondContact O-N 3.16Å; Y286-R289 HydrophobicContact CE1-CG 4.34Å; Y286-R289 VanDerWaalsContact OH-CD 3.31Å; Y286-R289 WeakPolarHBondContact OH-CD 3.32Å; Y286-R289 PolarHBondContact OH-NE 2.88Å; Y286-R289 PolarHBondContact OH-NH1 2.94Å |
| 287 | K | 95.6 | Very high | 91 | Very high | 160 Ų | 160 | 45.4 Ų | 45.4 | 70% | 0.696 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 136.5 | -177.2 | -171 | 177.9 | 178.9 | -177.6 | 0 | 110.8 | R289 | K287-R289 PolarHBondContact O-N 3.09Å; K287-R289 VanDerWaalsContact O-N 3.1Å |
| 288 | H | 94.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | trans | -59.1 | 117 | 178.8 | -67.3 | -27.6 | 0 | 0 | 0 | 110.6 | D270 R272 H273 F274 Y286 Q291 | D270-H288 PolarHBondContact O-NE2 3.18Å; R272-H288 PolarHBondContact O-N 2.73Å; H273-H288 PolarHBondContact N-CD2 2.97Å; H273-H288 PolarHBondContact N-NE2 3.01Å; H273-H288 PolarHBondContact O-CE1 2.85Å; H273-H288 VanDerWaalsContact O-CE1 3.25Å; H273-H288 PolarHBondContact O-NE2 2.99Å; F274-H288 AromaticContact CD1-CE1 3.95Å; F274-H288 AromaticContact CD2-CE1 3.59Å; F274-H288 AromaticContact CD2-ND1 3.42Å; F274-H288 WeakPolarHBondContact CD2-ND1 3.47Å; F274-H288 AromaticContact CE1-CE1 3.93Å; F274-H288 AromaticContact CE2-CE1 3.59Å; F274-H288 AromaticContact CE2-ND1 3.33Å; F274-H288 VanDerWaalsContact CE2-ND1 3.33Å; F274-H288 WeakPolarHBondContact CE2-ND1 3.39Å; F274-H288 AromaticContact CG-CE1 3.78Å; F274-H288 AromaticContact CZ-CE1 3.76Å; F274-H288 AromaticContact CZ-ND1 3.91Å; F274-H288 PolarHBondContact N-CE1 3.11Å; F274-H288 VanDerWaalsContact N-CE1 3.33Å; Y286-H288 PolarHBondContact O-N 3.16Å; H288-Q291 PolarHBondContact O-NE2 2.98Å | ||
| 289 | R | 93.3 | Very high | 91.3 | Very high | 82 Ų | 82 | 46.4 Ų | 46.4 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -86.5 | -26.2 | 169 | -60.1 | -168 | -173.1 | 169.7 | 5.9 | 111.8 | N238 L241 A247 E249 Y286 K287 | N238-R289 PolarHBondContact OD1-NH1 2.8Å; L241-R289 HydrophobicContact CD1-CB 4.21Å; A247-R289 PolarHBondContact O-NH1 2.78Å; A247-R289 VanDerWaalsContact O-NH1 3.11Å; A247-R289 PolarHBondContact O-NH2 2.8Å; E249-R289 IonicContact OE1-CZ 3.82Å; E249-R289 IonicContact OE1-NH2 3.28Å; E249-R289 PolarHBondContact OE1-NH2 2.9Å; Y286-R289 HydrophobicContact CE1-CG 4.34Å; Y286-R289 VanDerWaalsContact OH-CD 3.31Å; Y286-R289 WeakPolarHBondContact OH-CD 3.32Å; Y286-R289 PolarHBondContact OH-NE 2.88Å; Y286-R289 PolarHBondContact OH-NH1 2.94Å; K287-R289 PolarHBondContact O-N 3.09Å; K287-R289 VanDerWaalsContact O-N 3.1Å |
| 290 | V | 89.7 | Confident | 91.9 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -112.1 | 122 | 168.2 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | V223 L241 | V223-V290 HydrophobicContact CG1-CB 3.98Å; V223-V290 HydrophobicContact CG1-CG2 4.27Å; V223-V290 HydrophobicContact CG2-CB 4.38Å; V223-V290 HydrophobicContact CG2-CG2 4.18Å; L241-V290 HydrophobicContact CD1-CG2 3.91Å; L241-V290 HydrophobicContact CD2-CG2 3.61Å; L241-V290 HydrophobicContact CG-CG2 4.45Å |
| 291 | Q | 89.4 | Confident | 92.9 | Very high | 132 Ų | 132 | 45.5 Ų | 45.5 | 62% | 0.617 | 24% | 0.236 | S | C | * | . | trans | -82.3 | -28.8 | -176.3 | -59.5 | -57.1 | -49.2 | 0 | 0 | 112.8 | H288 L293 | H288-Q291 PolarHBondContact O-NE2 2.98Å; Q291-L293 PolarHBondContact O-N 2.89Å | ||
| 292 | D | 89.8 | Confident | 94 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | trans | -79.3 | 89.2 | 177.8 | -176.3 | 9.4 | 0 | 0 | 0 | 110.7 | S294 A295 | D292-S294 PolarHBondContact O-N 2.79Å; D292-S294 WeakPolarHBondContact OD1-CB 3.44Å; D292-S294 PolarHBondContact OD1-N 2.83Å; D292-S294 PolarHBondContact OD1-OG 2.82Å; D292-A295 HydrophobicContact CB-CB 4.4Å; D292-A295 WeakPolarHBondContact O-CB 3.42Å; D292-A295 PolarHBondContact O-N 2.87Å; D292-A295 PolarHBondContact OD1-N 2.86Å | ||
| 293 | L | 90.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -67.6 | -21.9 | 177.6 | -61.9 | 169 | 0 | 0 | 0 | 112.6 | L191 V193 C269 F274 Q291 A295 V296 | L191-L293 HydrophobicContact CB-CB 4.23Å; L191-L293 PolarHBondContact N-O 3.49Å; L191-L293 CarbonylContact O-C 3.55Å; V193-L293 HydrophobicContact CG2-CD1 4.12Å; C269-L293 WeakPolarHBondContact SG-CD1 3.31Å; F274-L293 HydrophobicContact CE1-CD2 4.28Å; F274-L293 HydrophobicContact CZ-CD2 3.79Å; Q291-L293 PolarHBondContact O-N 2.89Å; L293-A295 PolarHBondContact O-N 2.82Å; L293-V296 WeakPolarHBondContact O-CB 3.26Å; L293-V296 PolarHBondContact O-N 2.8Å |
| 294 | S | 90.3 | Very high | 94.5 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -70.2 | -22 | 177.5 | 78.7 | 0 | 0 | 0 | 0 | 112.1 | G190 D292 V296 | G190-S294 WeakPolarHBondContact CA-O 3.2Å; D292-S294 PolarHBondContact O-N 2.79Å; D292-S294 WeakPolarHBondContact OD1-CB 3.44Å; D292-S294 PolarHBondContact OD1-N 2.83Å; D292-S294 PolarHBondContact OD1-OG 2.82Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 2.81Å |
| 295 | A | 89 | Confident | 94.6 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 28% | 0.281 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -72 | -16.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D216 A217 D292 L293 G297 | D216-A295 CarbonylContact C-O 3.54Å; D216-A295 VanDerWaalsContact CA-O 3.23Å; D216-A295 WeakPolarHBondContact CA-O 3.43Å; A217-A295 PolarHBondContact N-O 2.92Å; D292-A295 HydrophobicContact CB-CB 4.4Å; D292-A295 WeakPolarHBondContact O-CB 3.42Å; D292-A295 PolarHBondContact O-N 2.87Å; D292-A295 PolarHBondContact OD1-N 2.86Å; L293-A295 PolarHBondContact O-N 2.82Å; A295-G297 PolarHBondContact O-N 2.81Å |
| 296 | V | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 93.4 | -179.8 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | L187 G190 L191 L214 R215 V223 L293 S294 | L187-V296 HydrophobicContact CD1-CG1 4.12Å; G190-V296 VanDerWaalsContact CA-O 3.28Å; G190-V296 WeakPolarHBondContact CA-O 3.34Å; L191-V296 HydrophobicContact CB-CB 4.45Å; L191-V296 HydrophobicContact CD1-CB 4.05Å; L191-V296 HydrophobicContact CD1-CG1 3.7Å; L191-V296 HydrophobicContact CD1-CG2 4.31Å; L191-V296 HydrophobicContact CG-CB 3.94Å; L191-V296 HydrophobicContact CG-CG1 3.88Å; L214-V296 HydrophobicContact CB-CG1 3.84Å; R215-V296 CarbonylContact O-C 3.59Å; R215-V296 WeakPolarHBondContact O-CA 3.36Å; V223-V296 HydrophobicContact CB-CG2 4.14Å; V223-V296 HydrophobicContact CG1-CG2 3.97Å; V223-V296 HydrophobicContact CG2-CG2 4.02Å; L293-V296 WeakPolarHBondContact O-CB 3.26Å; L293-V296 PolarHBondContact O-N 2.8Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 2.81Å |
| 297 | G | 93.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -4.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115.5 | L187 R215 A295 | L187-G297 PolarHBondContact N-O 2.89Å; R215-G297 PolarHBondContact O-N 3.39Å; A295-G297 PolarHBondContact O-N 2.81Å |
| 298 | Q | 95.1 | Very high | 94.1 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.1 | -176.8 | -47.1 | 177.8 | 23 | 0 | 0 | 112.7 | G185 R215 A217 | G185-Q298 CarbonylContact O-C 3.59Å; G185-Q298 VanDerWaalsContact O-CA 3.32Å; G185-Q298 WeakPolarHBondContact O-CA 3.43Å; R215-Q298 HydrophobicContact CB-CB 4.2Å; R215-Q298 PolarHBondContact N-O 3.18Å; R215-Q298 PolarHBondContact O-N 3.23Å; A217-Q298 PolarHBondContact O-NE2 2.84Å |
| 299 | L | 96.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.2 | 164.2 | 171.6 | 65.1 | 0 | 0 | 0 | 108.3 | F183 R184 G185 I197 I199 V212 N213 L214 V301 V310 | F183-L299 HydrophobicContact CE1-CD2 4.09Å; F183-L299 HydrophobicContact CE1-CG 4.24Å; R184-L299 CarbonylContact C-O 3.55Å; R184-L299 WeakPolarHBondContact CA-O 3.38Å; G185-L299 PolarHBondContact N-O 3.26Å; G185-L299 PolarHBondContact O-N 2.54Å; I197-L299 HydrophobicContact CG2-CD1 4.48Å; I197-L299 HydrophobicContact CG2-CD2 3.8Å; I199-L299 HydrophobicContact CD1-CD1 4.13Å; I199-L299 HydrophobicContact CD1-CD2 4.46Å; I199-L299 HydrophobicContact CG1-CD2 4.45Å; V212-L299 HydrophobicContact CG1-CD1 3.87Å; N213-L299 CarbonylContact O-C 3.52Å; N213-L299 WeakPolarHBondContact O-CA 3.33Å; L214-L299 HydrophobicContact CD2-CD1 3.8Å; L299-V301 HydrophobicContact CD1-CG2 4.43Å; L299-V301 HydrophobicContact CG-CG2 4.5Å; L299-V310 HydrophobicContact CD2-CG1 3.39Å |
| 300 | E | 97.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135 | 173.4 | 165.4 | -177 | -106.5 | 0 | 0 | 109.9 | F183 R184 V212 N213 R215 V302 | F183-E300 CarbonylContact O-C 3.19Å; F183-E300 VanDerWaalsContact O-CA 3.26Å; F183-E300 WeakPolarHBondContact O-CA 3.31Å; R184-E300 HydrophobicContact CG-CB 4.21Å; R184-E300 HydrophobicContact CG-CG 4.31Å; R184-E300 IonicContact CZ-OE1 3.13Å; R184-E300 IonicContact NE-OE1 2.98Å; R184-E300 PolarHBondContact NE-OE1 3.26Å; R184-E300 IonicContact NH2-OE1 2.67Å; R184-E300 PolarHBondContact NH2-OE1 3.04Å; V212-E300 CarbonylContact C-O 3.6Å; V212-E300 WeakPolarHBondContact CA-O 3.34Å; N213-E300 HydrophobicContact CB-CB 4.09Å; N213-E300 HydrophobicContact CB-CG 4.49Å; N213-E300 PolarHBondContact N-O 3.37Å; N213-E300 PolarHBondContact ND2-OE2 2.94Å; N213-E300 PolarHBondContact O-N 3.01Å; R215-E300 IonicContact CZ-OE2 3.26Å; R215-E300 VanDerWaalsContact CZ-OE2 3.26Å; R215-E300 IonicContact NE-OE1 3.9Å; R215-E300 IonicContact NE-OE2 2.81Å; R215-E300 PolarHBondContact NE-OE2 2.89Å; R215-E300 IonicContact NH2-OE2 2.82Å; R215-E300 PolarHBondContact NH2-OE2 3.21Å; E300-V302 HydrophobicContact CG-CG1 3.7Å |
| 301 | V | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.5 | 172.1 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | P182 F183 I199 G211 V212 L299 V305 L307 | P182-V301 CarbonylContact C-O 3.55Å; P182-V301 WeakPolarHBondContact CA-O 3.42Å; F183-V301 HydrophobicContact CB-CB 4.21Å; F183-V301 HydrophobicContact CD1-CB 4.3Å; F183-V301 HydrophobicContact CD1-CG2 4.05Å; F183-V301 PolarHBondContact N-O 2.97Å; F183-V301 PolarHBondContact O-N 2.93Å; I199-V301 HydrophobicContact CD1-CG2 4.44Å; G211-V301 CarbonylContact O-C 3.57Å; G211-V301 VanDerWaalsContact O-CA 3.29Å; G211-V301 WeakPolarHBondContact O-CA 3.41Å; V212-V301 HydrophobicContact CG2-CG1 4.33Å; V212-V301 HydrophobicContact CG2-CG2 4.26Å; L299-V301 HydrophobicContact CD1-CG2 4.43Å; L299-V301 HydrophobicContact CG-CG2 4.5Å; V301-V305 HydrophobicContact CG1-CG1 3.86Å; V301-L307 HydrophobicContact CB-CD1 4.08Å; V301-L307 HydrophobicContact CG1-CD1 4.34Å; V301-L307 HydrophobicContact CG1-CD2 4.15Å; V301-L307 HydrophobicContact CG1-CG 4.43Å; V301-L307 HydrophobicContact CG2-CD1 4.32Å |
| 302 | V | 98.5 | Very high | 93.3 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 26% | 0.261 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 164.1 | -174 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | P182 F210 G211 E300 | P182-V302 HydrophobicContact CB-CG1 3.9Å; F210-V302 CarbonylContact C-O 3.54Å; F210-V302 VanDerWaalsContact CA-O 3.32Å; F210-V302 WeakPolarHBondContact CA-O 3.39Å; F210-V302 VanDerWaalsContact CB-O 3.31Å; F210-V302 WeakPolarHBondContact CB-O 3.37Å; G211-V302 PolarHBondContact N-O 2.98Å; G211-V302 PolarHBondContact O-N 3.26Å; E300-V302 HydrophobicContact CG-CG1 3.7Å |
| 303 | G | 98 | Very high | 92.8 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 42% | 0.423 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.1 | -154.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V305 | G303-V305 VanDerWaalsContact C-N 3.28Å; G303-V305 PolarHBondContact O-N 3.4Å |
| 304 | D | 98.3 | Very high | 92.9 | Very high | 57 Ų | 57 | 39 Ų | 39 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -83.1 | 64.1 | -161.1 | -53.4 | -34.6 | 0 | 0 | 0 | 113.1 | S204 A207 N208 S209 | S204-D304 PolarHBondContact N-O 3.29Å; S204-D304 VanDerWaalsContact OG-C 3.27Å; S204-D304 PolarHBondContact OG-O 3.14Å; A207-D304 HydrophobicContact CB-CB 3.55Å; N208-D304 WeakPolarHBondContact CA-OD2 3.43Å; N208-D304 PolarHBondContact N-OD2 3.21Å; S209-D304 PolarHBondContact N-OD2 3.07Å; S209-D304 VanDerWaalsContact N-OD2 3.09Å; S209-D304 PolarHBondContact O-N 3.22Å |
| 305 | V | 98 | Very high | 93.1 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 145.6 | -176.1 | 60.4 | 0 | 0 | 0 | 0 | 112 | V181 Q202 F210 F263 V301 G303 | V181-V305 HydrophobicContact CG1-CG1 4.38Å; V181-V305 HydrophobicContact CG2-CG1 4.26Å; V181-V305 WeakPolarHBondContact CG2-O 3.43Å; Q202-V305 WeakPolarHBondContact O-CA 3.4Å; Q202-V305 WeakPolarHBondContact O-CG2 3.24Å; F210-V305 HydrophobicContact CB-CB 4.18Å; F210-V305 HydrophobicContact CB-CG1 3.92Å; F210-V305 HydrophobicContact CD2-CG1 4.27Å; F210-V305 HydrophobicContact CG-CB 4.32Å; F210-V305 HydrophobicContact CG-CG1 4.28Å; F263-V305 HydrophobicContact CE1-CG2 3.5Å; F263-V305 VanDerWaalsContact CE1-CG2 3.5Å; F263-V305 HydrophobicContact CZ-CG2 3.73Å; V301-V305 HydrophobicContact CG1-CG1 3.86Å; G303-V305 VanDerWaalsContact C-N 3.28Å; G303-V305 PolarHBondContact O-N 3.4Å |
| 306 | T | 96 | Very high | 93.3 | Very high | 87 Ų | 87 | 37.1 Ų | 37.1 | 53% | 0.534 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.9 | 164.6 | -56.6 | 0 | 0 | 0 | 0 | 108.7 | G201 Q202 | G201-T306 CarbonylContact C-O 3.55Å; G201-T306 WeakPolarHBondContact CA-O 3.17Å; Q202-T306 PolarHBondContact N-O 2.94Å; Q202-T306 PolarHBondContact O-N 2.87Å |
| 307 | L | 95.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 141.7 | 177.1 | -71.3 | 175.2 | 0 | 0 | 0 | 111.4 | L179 V181 F183 I199 V301 V310 | L179-L307 HydrophobicContact CB-CB 3.9Å; V181-L307 HydrophobicContact CG2-CD1 3.99Å; V181-L307 HydrophobicContact CG2-CG 3.89Å; F183-L307 HydrophobicContact CB-CD1 3.46Å; F183-L307 VanDerWaalsContact CB-CD1 3.46Å; F183-L307 HydrophobicContact CD1-CD1 3.94Å; F183-L307 HydrophobicContact CD2-CD1 4.14Å; F183-L307 HydrophobicContact CG-CD1 3.55Å; I199-L307 HydrophobicContact CG2-CD2 3.56Å; V301-L307 HydrophobicContact CB-CD1 4.08Å; V301-L307 HydrophobicContact CG1-CD1 4.34Å; V301-L307 HydrophobicContact CG1-CD2 4.15Å; V301-L307 HydrophobicContact CG1-CG 4.43Å; V301-L307 HydrophobicContact CG2-CD1 4.32Å; L307-V310 HydrophobicContact CD1-CG2 3.96Å; L307-V310 HydrophobicContact CD2-CG2 4.11Å; L307-V310 HydrophobicContact CG-CG2 4.49Å |
| 308 | M | 89.9 | Confident | 93.3 | Very high | 116 Ų | 116 | 41.3 Ų | 41.3 | 57% | 0.571 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -35.6 | 178.9 | -61.2 | 178 | 77.4 | 0 | 0 | 112.1 | L179 K200 Y262 | L179-M308 VanDerWaalsContact CD1-C 3.45Å; L179-M308 VanDerWaalsContact CD1-O 3.31Å; L179-M308 WeakPolarHBondContact CD1-O 3.41Å; K200-M308 HydrophobicContact CB-CB 4.38Å; K200-M308 PolarHBondContact O-N 2.82Å; Y262-M308 HydrophobicContact CD2-SD 3.96Å; Y262-M308 HydrophobicContact CE2-SD 4.2Å |
| 309 | D | 88.5 | Confident | 93.1 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 142.4 | 175.7 | -172.3 | 24.1 | 0 | 0 | 0 | 109.5 | K200 R311 | K200-D309 HydrophobicContact CB-CB 3.99Å; K200-D309 HydrophobicContact CD-CB 4.02Å; K200-D309 HydrophobicContact CG-CB 4.18Å; K200-D309 PolarHBondContact N-O 2.98Å; K200-D309 PolarHBondContact O-N 2.67Å; D309-R311 WeakPolarHBondContact OD2-CD 3.47Å; D309-R311 IonicContact OD2-CZ 2.71Å; D309-R311 IonicContact OD2-NE 2.68Å; D309-R311 IonicContact OD2-NH1 3.66Å; D309-R311 PolarHBondContact OD2-NH1 3.01Å |
| 310 | V | 90.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 120.1 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | F176 L179 F183 I198 I199 L299 L307 | F176-V310 HydrophobicContact CD2-CB 3.94Å; F176-V310 HydrophobicContact CD2-CG1 3.67Å; F176-V310 HydrophobicContact CE2-CG1 3.87Å; L179-V310 HydrophobicContact CD2-CB 4.16Å; L179-V310 HydrophobicContact CD2-CG2 3.96Å; F183-V310 HydrophobicContact CE1-CG1 4.05Å; F183-V310 HydrophobicContact CE1-CG2 4.32Å; F183-V310 HydrophobicContact CZ-CB 4.43Å; F183-V310 HydrophobicContact CZ-CG1 4.22Å; I198-V310 WeakPolarHBondContact O-CA 3.48Å; I199-V310 HydrophobicContact CG2-CG2 4.47Å; L299-V310 HydrophobicContact CD2-CG1 3.39Å; L307-V310 HydrophobicContact CD1-CG2 3.96Å; L307-V310 HydrophobicContact CD2-CG2 4.11Å; L307-V310 HydrophobicContact CG-CG2 4.49Å |
| 311 | R | 86.3 | Confident | 92.5 | Very high | 65 Ų | 65 | 46.8 Ų | 46.8 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 161 | -178.5 | 65.5 | -176.2 | -174.8 | -141.7 | 11.3 | 112.3 | I198 D309 | I198-R311 HydrophobicContact CB-CG 4Å; I198-R311 HydrophobicContact CD1-CG 4.47Å; I198-R311 PolarHBondContact N-O 2.9Å; I198-R311 PolarHBondContact O-N 3.48Å; D309-R311 WeakPolarHBondContact OD2-CD 3.47Å; D309-R311 IonicContact OD2-CZ 2.71Å; D309-R311 IonicContact OD2-NE 2.68Å; D309-R311 IonicContact OD2-NH1 3.66Å; D309-R311 PolarHBondContact OD2-NH1 3.01Å |
| 312 | M | 85.6 | Confident | 92 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.9 | 174.7 | -167.2 | 174.4 | 177.5 | 0 | 0 | 109.5 | L187 L191 R195 S196 | L187-M312 HydrophobicContact CD2-SD 4.22Å; L191-M312 HydrophobicContact CD2-CE 3.52Å; L191-M312 HydrophobicContact CD2-SD 4.39Å; R195-M312 HydrophobicContact CB-CE 3.61Å; R195-M312 HydrophobicContact CG-CE 3.92Å; S196-M312 CarbonylContact O-C 3.48Å; S196-M312 VanDerWaalsContact O-CA 3.28Å; S196-M312 WeakPolarHBondContact O-CA 2.9Å; S196-M312 WeakPolarHBondContact O-CG 3.49Å |
| 313 | T | 79.2 | Confident | 91.5 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | trans | -127.3 | 0 | 178.7 | 60.9 | 0 | 0 | 0 | 0 | 110.1 | R195 S196 I198 | R195-T313 CarbonylContact C-O 3.55Å; R195-T313 VanDerWaalsContact CA-O 3.3Å; R195-T313 WeakPolarHBondContact CA-O 3.47Å; R195-T313 WeakPolarHBondContact CD-O 3.43Å; R195-T313 VanDerWaalsContact CD-OXT 3.22Å; R195-T313 WeakPolarHBondContact CD-OXT 3.28Å; R195-T313 PolarHBondContact NH1-OXT 3.48Å; S196-T313 PolarHBondContact N-O 2.98Å; S196-T313 PolarHBondContact O-N 2.99Å; I198-T313 HydrophobicContact CD1-CG2 3.83Å |
Retrieved 313 of 313 residues in 391.4 ms
(Link to these results)