| 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 | 51.5 | Low | 69.2 | Low | 182 Ų | 182 | 96.9 Ų | 96.9 | 90% | 0.897 | 50% | 0.501 | S | S | * | . | 0 | -57.9 | 0 | -164.3 | 152.3 | 33.8 | 0 | 0 | 110.9 | L3 A4 E5 | M1-L3 PolarHBondContact O-N 2.81Å; M1-A4 PolarHBondContact O-N 3.17Å; M1-E5 PolarHBondContact O-N 3.38Å | |||
| 2 | E | 60.2 | Low | 70.1 | Confident | 156 Ų | 156 | 100.3 Ų | 100.3 | 73% | 0.729 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.5 | -43.9 | 176.5 | -67.4 | 179.9 | 165.6 | 0 | 0 | 114.1 | A4 E5 D6 | E2-A4 VanDerWaalsContact C-N 3.32Å; E2-A4 PolarHBondContact O-N 3.32Å; E2-E5 PolarHBondContact O-N 2.88Å; E2-D6 WeakPolarHBondContact O-CB 3.31Å; E2-D6 PolarHBondContact O-N 2.96Å |
| 3 | L | 62.5 | Low | 71.1 | Confident | 137 Ų | 137 | 107.5 Ų | 107.5 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.7 | -32 | 179.7 | -71.2 | 170 | 0 | 0 | 0 | 114.8 | M1 W7 | M1-L3 PolarHBondContact O-N 2.81Å; L3-W7 WeakPolarHBondContact O-CB 3.48Å; L3-W7 PolarHBondContact O-N 3.09Å; L3-W7 VanDerWaalsContact O-N 3.15Å |
| 4 | A | 62.6 | Low | 72.3 | Confident | 38 Ų | 38 | 102.4 Ų | 102.4 | 31% | 0.314 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79.1 | -36.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 E2 L8 | M1-A4 PolarHBondContact O-N 3.17Å; E2-A4 VanDerWaalsContact C-N 3.32Å; E2-A4 PolarHBondContact O-N 3.32Å; A4-L8 WeakPolarHBondContact O-CB 3.31Å; A4-L8 PolarHBondContact O-N 2.98Å |
| 5 | E | 64.8 | Low | 73.4 | Confident | 121 Ų | 121 | 96.8 Ų | 96.8 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69 | -42.8 | 175 | -68.1 | 179.9 | 168.9 | 0 | 0 | 111.5 | M1 E2 L8 V9 | M1-E5 PolarHBondContact O-N 3.38Å; E2-E5 PolarHBondContact O-N 2.88Å; E5-L8 WeakPolarHBondContact O-CB 3.49Å; E5-L8 PolarHBondContact O-N 2.76Å; E5-V9 PolarHBondContact O-N 2.58Å; E5-V9 VanDerWaalsContact O-N 3.15Å |
| 6 | D | 72.9 | Confident | 74.2 | Confident | 109 Ų | 109 | 98.6 Ų | 98.6 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 174.9 | -74.9 | -19.9 | 0 | 0 | 0 | 111.4 | E2 L8 V9 E10 | E2-D6 WeakPolarHBondContact O-CB 3.31Å; E2-D6 PolarHBondContact O-N 2.96Å; D6-L8 PolarHBondContact O-N 3.46Å; D6-V9 PolarHBondContact O-N 3.38Å; D6-E10 PolarHBondContact O-N 2.77Å |
| 7 | W | 76.8 | Confident | 74.9 | Confident | 12 Ų | 12 | 95.2 Ų | 95.2 | 5% | 0.045 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 175.9 | -178.8 | 74.9 | 0 | 0 | 0 | 112.6 | L3 V9 E10 S11 Y15 F18 L326 L327 | L3-W7 WeakPolarHBondContact O-CB 3.48Å; L3-W7 PolarHBondContact O-N 3.09Å; L3-W7 VanDerWaalsContact O-N 3.15Å; W7-V9 VanDerWaalsContact C-N 3.29Å; W7-V9 PolarHBondContact O-N 2.91Å; W7-E10 CarbonylContact O-C 3.56Å; W7-E10 PolarHBondContact O-N 3.1Å; W7-S11 VanDerWaalsContact O-CB 3.27Å; W7-S11 WeakPolarHBondContact O-CB 3.43Å; W7-S11 PolarHBondContact O-N 3.36Å; W7-Y15 HydrophobicContact CZ2-CE2 4.09Å; W7-F18 HydrophobicContact CH2-CD1 4.29Å; W7-F18 AromaticContact CH2-CE1 3.57Å; W7-F18 HydrophobicContact CH2-CE1 3.57Å; W7-F18 HydrophobicContact CH2-CZ 4.03Å; W7-F18 HydrophobicContact CZ3-CE1 4.2Å; W7-L326 HydrophobicContact CB-CB 4.29Å; W7-L326 HydrophobicContact CB-CD1 3.78Å; W7-L326 HydrophobicContact CB-CG 4.45Å; W7-L326 HydrophobicContact CD2-CB 3.77Å; W7-L326 HydrophobicContact CD2-CD1 3.81Å; W7-L326 HydrophobicContact CD2-CG 4.42Å; W7-L326 HydrophobicContact CE3-CB 3.93Å; W7-L326 HydrophobicContact CG-CB 3.93Å; W7-L326 HydrophobicContact CG-CD1 3.27Å; W7-L326 HydrophobicContact CG-CG 4.15Å; W7-L327 HydrophobicContact CH2-CG 4.42Å; W7-L327 HydrophobicContact CZ3-CD2 3.88Å; W7-L327 HydrophobicContact CZ3-CG 4.05Å |
| 8 | L | 74.1 | Confident | 75.6 | Confident | 102 Ų | 102 | 92.9 Ų | 92.9 | 53% | 0.534 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 176.1 | -178.3 | 65.6 | 0 | 0 | 0 | 110.6 | A4 E5 D6 S11 L12 | A4-L8 WeakPolarHBondContact O-CB 3.31Å; A4-L8 PolarHBondContact O-N 2.98Å; E5-L8 WeakPolarHBondContact O-CB 3.49Å; E5-L8 PolarHBondContact O-N 2.76Å; D6-L8 PolarHBondContact O-N 3.46Å; L8-S11 PolarHBondContact O-N 2.87Å; L8-S11 PolarHBondContact O-OG 3.09Å; L8-L12 PolarHBondContact O-N 2.9Å |
| 9 | V | 76.3 | Confident | 76.2 | Confident | 95 Ų | 95 | 89.7 Ų | 89.7 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 176 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | E5 D6 W7 S11 L12 | E5-V9 PolarHBondContact O-N 2.58Å; E5-V9 VanDerWaalsContact O-N 3.15Å; D6-V9 PolarHBondContact O-N 3.38Å; W7-V9 VanDerWaalsContact C-N 3.29Å; W7-V9 PolarHBondContact O-N 2.91Å; V9-S11 VanDerWaalsContact C-N 3.33Å; V9-S11 PolarHBondContact O-N 2.83Å; V9-L12 PolarHBondContact O-N 3.19Å |
| 10 | E | 79.6 | Confident | 76.8 | Confident | 105 Ų | 105 | 87.6 Ų | 87.6 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 176.5 | -161 | -175.1 | -174.9 | 0 | 0 | 111.6 | D6 W7 L12 R13 L14 | D6-E10 PolarHBondContact O-N 2.77Å; W7-E10 CarbonylContact O-C 3.56Å; W7-E10 PolarHBondContact O-N 3.1Å; E10-L12 PolarHBondContact O-N 2.81Å; E10-R13 WeakPolarHBondContact O-CB 3.47Å; E10-R13 PolarHBondContact O-N 3.05Å; E10-L14 HydrophobicContact CG-CD1 3.7Å; E10-L14 HydrophobicContact CG-CG 4.1Å; E10-L14 WeakPolarHBondContact O-CG 3.18Å; E10-L14 PolarHBondContact O-N 2.8Å; E10-L14 VanDerWaalsContact O-N 3.09Å |
| 11 | S | 80.4 | Confident | 77.5 | Confident | 9 Ų | 9 | 84.6 Ų | 84.6 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.9 | -35.3 | -179.5 | 80 | 0 | 0 | 0 | 0 | 112.1 | W7 L8 V9 R13 L14 Y15 | W7-S11 VanDerWaalsContact O-CB 3.27Å; W7-S11 WeakPolarHBondContact O-CB 3.43Å; W7-S11 PolarHBondContact O-N 3.36Å; L8-S11 PolarHBondContact O-N 2.87Å; L8-S11 PolarHBondContact O-OG 3.09Å; V9-S11 VanDerWaalsContact C-N 3.33Å; V9-S11 PolarHBondContact O-N 2.83Å; S11-R13 PolarHBondContact O-N 3.49Å; S11-R13 VanDerWaalsContact O-N 3.13Å; S11-L14 PolarHBondContact O-N 2.99Å; S11-Y15 WeakPolarHBondContact O-CD2 3.48Å; S11-Y15 PolarHBondContact O-N 2.93Å |
| 12 | L | 79.1 | Confident | 79.4 | Confident | 137 Ų | 137 | 82.7 Ų | 82.7 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.7 | -20.1 | 176.2 | -64.8 | 174 | 0 | 0 | 0 | 113.4 | L8 V9 E10 | L8-L12 PolarHBondContact O-N 2.9Å; V9-L12 PolarHBondContact O-N 3.19Å; E10-L12 PolarHBondContact O-N 2.81Å |
| 13 | R | 84.2 | Confident | 81 | Confident | 195 Ų | 195 | 76.8 Ų | 76.8 | 74% | 0.736 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -100.1 | -27.3 | 177.6 | -56.8 | -179.1 | 72.8 | 174.7 | 1.6 | 112.3 | E10 S11 | E10-R13 WeakPolarHBondContact O-CB 3.47Å; E10-R13 PolarHBondContact O-N 3.05Å; S11-R13 PolarHBondContact O-N 3.49Å; S11-R13 VanDerWaalsContact O-N 3.13Å |
| 14 | L | 87.3 | Confident | 82.4 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -86.5 | -31.9 | -175 | -70.1 | 179.6 | 0 | 0 | 0 | 113.1 | E10 S11 F319 W365 V366 | E10-L14 HydrophobicContact CG-CD1 3.7Å; E10-L14 HydrophobicContact CG-CG 4.1Å; E10-L14 WeakPolarHBondContact O-CG 3.18Å; E10-L14 PolarHBondContact O-N 2.8Å; E10-L14 VanDerWaalsContact O-N 3.09Å; S11-L14 PolarHBondContact O-N 2.99Å; L14-F319 HydrophobicContact CB-CE2 4.07Å; L14-F319 HydrophobicContact CB-CZ 4.45Å; L14-F319 HydrophobicContact CD2-CE2 4.4Å; L14-W365 WeakPolarHBondContact O-CA 3.31Å; L14-V366 PolarHBondContact O-N 2.89Å |
| 15 | Y | 89 | Confident | 83.9 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 7% | 0.071 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.9 | -176.2 | -60.2 | -81.6 | 0 | 0 | 0 | 111.8 | W7 S11 F18 F319 H321 W363 D364 | W7-Y15 HydrophobicContact CZ2-CE2 4.09Å; S11-Y15 WeakPolarHBondContact O-CD2 3.48Å; S11-Y15 PolarHBondContact O-N 2.93Å; Y15-F18 HydrophobicContact CD1-CB 4.38Å; Y15-F18 HydrophobicContact CD2-CB 4.4Å; Y15-F18 HydrophobicContact CG-CB 4Å; Y15-F319 HydrophobicContact CD1-CZ 4.11Å; Y15-F319 AromaticContact CE1-CE1 3.78Å; Y15-F319 HydrophobicContact CE1-CE1 3.78Å; Y15-F319 AromaticContact CE1-CZ 3.44Å; Y15-F319 HydrophobicContact CE1-CZ 3.44Å; Y15-F319 VanDerWaalsContact CE1-CZ 3.44Å; Y15-F319 HydrophobicContact CE2-CZ 4.36Å; Y15-F319 AromaticContact CZ-CZ 3.57Å; Y15-H321 AromaticContact CE1-ND1 3.63Å; Y15-H321 AromaticContact CZ-ND1 3.5Å; Y15-H321 WeakPolarHBondContact OH-CA 3.49Å; Y15-H321 PolarHBondContact OH-ND1 3.47Å; Y15-W363 HydrophobicContact CD1-CB 3.86Å; Y15-W363 HydrophobicContact CD1-CE3 4.44Å; Y15-W363 HydrophobicContact CE1-CB 3.85Å; Y15-W363 HydrophobicContact CE1-CD2 4.23Å; Y15-W363 AromaticContact CE1-CE3 3.92Å; Y15-W363 HydrophobicContact CE1-CE3 3.92Å; Y15-W363 HydrophobicContact CE1-CG 4.26Å; Y15-D364 CarbonylContact C-O 3.6Å; Y15-D364 VanDerWaalsContact CA-O 3.29Å; Y15-D364 WeakPolarHBondContact CA-O 3.3Å |
| 16 | Q | 86.5 | Confident | 85.3 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 58% | 0.584 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -41.8 | 166 | -179.8 | 56.8 | 66.3 | 0 | 0 | 110.2 | D364 V366 | Q16-D364 HydrophobicContact CB-CB 4.26Å; Q16-D364 PolarHBondContact N-O 2.87Å; Q16-V366 HydrophobicContact CB-CG2 4.32Å |
| 17 | D | 85.3 | Confident | 86.5 | Confident | 42 Ų | 42 | 62 Ų | 62 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 137.6 | 173.2 | -72.3 | -59.7 | 0 | 0 | 0 | 108.8 | L60 W363 D364 | D17-L60 HydrophobicContact CB-CD2 3.77Å; D17-W363 CarbonylContact O-C 3.56Å; D17-W363 WeakPolarHBondContact O-CA 3.42Å; D17-D364 HydrophobicContact CB-CB 4.19Å; D17-D364 PolarHBondContact N-O 3.23Å; D17-D364 PolarHBondContact O-N 2.82Å |
| 18 | F | 87.8 | Confident | 87.4 | Confident | 54 Ų | 54 | 63 Ų | 63 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 126.3 | 173.3 | 174 | -131.7 | 0 | 0 | 0 | 110.1 | W7 Y15 A20 H321 L327 H361 W363 | W7-F18 HydrophobicContact CH2-CD1 4.29Å; W7-F18 AromaticContact CH2-CE1 3.57Å; W7-F18 HydrophobicContact CH2-CE1 3.57Å; W7-F18 HydrophobicContact CH2-CZ 4.03Å; W7-F18 HydrophobicContact CZ3-CE1 4.2Å; Y15-F18 HydrophobicContact CD1-CB 4.38Å; Y15-F18 HydrophobicContact CD2-CB 4.4Å; Y15-F18 HydrophobicContact CG-CB 4Å; F18-A20 HydrophobicContact CZ-CB 4.17Å; F18-H321 AromaticContact CE2-CE1 3.74Å; F18-L327 HydrophobicContact CE1-CD1 4Å; F18-L327 HydrophobicContact CZ-CD1 3.66Å; F18-H361 HydrophobicContact CE2-CB 4Å; F18-H361 AromaticContact CE2-CG 3.79Å; F18-H361 AromaticContact CE2-ND1 3.84Å; F18-W363 HydrophobicContact CD2-CB 3.94Å |
| 19 | H | 87.7 | Confident | 88.5 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 15% | 0.148 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.6 | 178.7 | -65.8 | -101.8 | 0 | 0 | 0 | 109.8 | F21 L60 H361 V362 | H19-F21 HydrophobicContact CB-CD2 4.34Å; H19-F21 HydrophobicContact CB-CE2 3.41Å; H19-F21 VanDerWaalsContact CB-CE2 3.41Å; H19-F21 HydrophobicContact CB-CZ 3.69Å; H19-L60 HydrophobicContact CB-CD1 4.22Å; H19-H361 CarbonylContact O-C 3.56Å; H19-H361 VanDerWaalsContact O-CA 3.3Å; H19-H361 WeakPolarHBondContact O-CA 3.27Å; H19-V362 HydrophobicContact CB-CB 4.48Å; H19-V362 PolarHBondContact N-O 2.84Å; H19-V362 PolarHBondContact O-N 3.21Å |
| 20 | A | 88.3 | Confident | 89.5 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F18 L327 H361 | F18-A20 HydrophobicContact CZ-CB 4.17Å; A20-L327 HydrophobicContact CB-CD1 3.82Å; A20-H361 VanDerWaalsContact CB-CD2 3.47Å; A20-H361 WeakPolarHBondContact CB-CD2 3.34Å |
| 21 | F | 89.9 | Confident | 90.4 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.9 | -176.5 | -58.1 | -77.2 | 0 | 0 | 0 | 110.4 | H19 P57 R72 D73 F74 S359 L360 V362 | H19-F21 HydrophobicContact CB-CD2 4.34Å; H19-F21 HydrophobicContact CB-CE2 3.41Å; H19-F21 VanDerWaalsContact CB-CE2 3.41Å; H19-F21 HydrophobicContact CB-CZ 3.69Å; F21-P57 HydrophobicContact CE2-CG 4.42Å; F21-P57 HydrophobicContact CZ-CG 3.8Å; F21-R72 WeakPolarHBondContact CE1-O 3.46Å; F21-R72 VanDerWaalsContact CZ-O 3.24Å; F21-R72 WeakPolarHBondContact CZ-O 3.42Å; F21-D73 HydrophobicContact CD1-CB 4.48Å; F21-D73 VanDerWaalsContact CE1-CA 3.48Å; F21-D73 HydrophobicContact CE1-CB 4.04Å; F21-D73 WeakPolarHBondContact CE1-OD1 3.47Å; F21-F74 HydrophobicContact CB-CD2 4.08Å; F21-F74 HydrophobicContact CB-CE2 4.37Å; F21-F74 AromaticContact CD1-CD2 4Å; F21-F74 HydrophobicContact CD1-CD2 4Å; F21-F74 AromaticContact CD2-CD2 3.25Å; F21-F74 HydrophobicContact CD2-CD2 3.25Å; F21-F74 AromaticContact CD2-CE2 3.13Å; F21-F74 HydrophobicContact CD2-CE2 3.13Å; F21-F74 HydrophobicContact CD2-CZ 4.39Å; F21-F74 HydrophobicContact CE1-CD2 4.28Å; F21-F74 AromaticContact CE2-CD2 3.45Å; F21-F74 HydrophobicContact CE2-CD2 3.45Å; F21-F74 VanDerWaalsContact CE2-CD2 3.45Å; F21-F74 AromaticContact CE2-CE2 3.34Å; F21-F74 HydrophobicContact CE2-CE2 3.34Å; F21-F74 HydrophobicContact CE2-CZ 4.38Å; F21-F74 AromaticContact CG-CD2 3.47Å; F21-F74 HydrophobicContact CG-CD2 3.47Å; F21-F74 VanDerWaalsContact CG-CD2 3.47Å; F21-F74 AromaticContact CG-CE2 3.82Å; F21-F74 HydrophobicContact CG-CE2 3.82Å; F21-F74 AromaticContact CZ-CD2 3.98Å; F21-F74 HydrophobicContact CZ-CD2 3.98Å; F21-F74 HydrophobicContact CZ-CE2 4.28Å; F21-S359 CarbonylContact O-C 3.55Å; F21-L360 HydrophobicContact CB-CB 4.49Å; F21-L360 PolarHBondContact N-O 3.2Å; F21-L360 PolarHBondContact O-N 2.8Å; F21-V362 HydrophobicContact CE2-CG2 4.43Å |
| 22 | D | 92 | Very high | 91.1 | Very high | 143 Ų | 143 | 52.4 Ų | 52.4 | 77% | 0.765 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.5 | 176.8 | -59.7 | -42 | 0 | 0 | 0 | 110.3 | ||
| 23 | L | 93.9 | Very high | 91.8 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | trans | -84.1 | 160.5 | 170.6 | -60.7 | 175.5 | 0 | 0 | 0 | 110.1 | G25 T27 V40 L54 A358 L360 | L23-G25 VanDerWaalsContact CB-O 3.31Å; L23-G25 WeakPolarHBondContact CB-O 3.12Å; L23-G25 PolarHBondContact O-N 3.45Å; L23-T27 HydrophobicContact CD1-CG2 3.71Å; L23-V40 HydrophobicContact CD1-CG2 4.47Å; L23-V40 HydrophobicContact CD2-CG2 4.4Å; L23-L54 HydrophobicContact CD2-CD1 3.97Å; L23-A358 HydrophobicContact CB-CB 4.31Å; L23-A358 PolarHBondContact N-O 3.37Å; L23-A358 WeakPolarHBondContact O-CB 3.09Å; L23-L360 HydrophobicContact CD1-CB 4.29Å; L23-L360 HydrophobicContact CD1-CD2 4.46Å; L23-L360 HydrophobicContact CD2-CD2 4.2Å; L23-L360 HydrophobicContact CG-CB 4.22Å; L23-L360 HydrophobicContact CG-CD2 4.5Å | ||
| 24 | S | 92 | Very high | 92.1 | Very high | 75 Ų | 75 | 41.2 Ų | 41.2 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -65.7 | -17.2 | 174 | 70.5 | 0 | 0 | 0 | 0 | 113.6 | K47 E50 | S24-K47 PolarHBondContact O-NZ 2.79Å; S24-K47 VanDerWaalsContact O-NZ 3.07Å; S24-E50 WeakPolarHBondContact CB-OE2 3.47Å; S24-E50 VanDerWaalsContact OG-CD 3.23Å; S24-E50 PolarHBondContact OG-OE2 2.83Å |
| 25 | G | 93.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -163.8 | 155.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L23 A358 | L23-G25 VanDerWaalsContact CB-O 3.31Å; L23-G25 WeakPolarHBondContact CB-O 3.12Å; L23-G25 PolarHBondContact O-N 3.45Å; G25-A358 VanDerWaalsContact C-CB 3.47Å |
| 26 | A | 95.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 46 Ų | 46 | 7% | 0.066 | 25% | 0.254 | C | S | . | . | trans | -62.4 | 147.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y43 A358 | A26-Y43 HydrophobicContact CB-CE1 3.58Å; A26-Y43 WeakPolarHBondContact CB-OH 3.38Å; A26-Y43 WeakPolarHBondContact O-CD1 3.42Å; A26-Y43 VanDerWaalsContact O-CE1 3.22Å; A26-Y43 WeakPolarHBondContact O-CE1 3.5Å; A26-A358 HydrophobicContact CB-CB 4.4Å | ||
| 27 | T | 97.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -118.6 | 149 | 176.9 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | L23 V29 V40 A41 T339 A354 | L23-T27 HydrophobicContact CD1-CG2 3.71Å; T27-V29 PolarHBondContact OG1-N 3.25Å; T27-V29 VanDerWaalsContact OG1-N 3.16Å; T27-V29 PolarHBondContact OG1-O 3.29Å; T27-V40 HydrophobicContact CG2-CB 4.36Å; T27-V40 HydrophobicContact CG2-CG1 4.46Å; T27-A41 WeakPolarHBondContact CA-O 3.18Å; T27-A41 VanDerWaalsContact CB-O 3.31Å; T27-A41 WeakPolarHBondContact CB-O 3.38Å; T27-A41 PolarHBondContact OG1-N 3.23Å; T27-A41 PolarHBondContact OG1-O 2.79Å; T27-T339 VanDerWaalsContact O-CB 3.25Å; T27-T339 WeakPolarHBondContact O-CB 3.5Å; T27-T339 PolarHBondContact O-OG1 3.15Å; T27-A354 HydrophobicContact CG2-CB 3.55Å |
| 28 | R | 96.1 | Very high | 93.1 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 13% | 0.125 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -109.6 | 4.8 | 169.1 | -74.7 | 168.7 | -179 | -135.3 | -13 | 111.8 | Y43 D275 L278 T339 T340 | R28-Y43 HydrophobicContact CB-CD1 4.16Å; R28-Y43 HydrophobicContact CB-CE1 4.44Å; R28-Y43 HydrophobicContact CG-CD1 3.6Å; R28-Y43 HydrophobicContact CG-CE1 3.55Å; R28-Y43 HydrophobicContact CG-CE2 4.5Å; R28-Y43 HydrophobicContact CG-CG 4.1Å; R28-Y43 VanDerWaalsContact NE-CE2 3.26Å; R28-D275 IonicContact CZ-OD2 2.72Å; R28-D275 IonicContact NH1-OD2 2.83Å; R28-D275 IonicContact NH2-OD2 3.96Å; R28-D275 PolarHBondContact NH2-OD2 3.42Å; R28-L278 HydrophobicContact CG-CD2 3.7Å; R28-T339 HydrophobicContact CG-CG2 4.48Å; R28-T340 VanDerWaalsContact C-CG2 3.48Å |
| 29 | V | 96.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | trans | -126 | 127.4 | -167.2 | 168.9 | 0 | 0 | 0 | 0 | 109.6 | T27 A41 V86 L89 | T27-V29 PolarHBondContact OG1-N 3.25Å; T27-V29 VanDerWaalsContact OG1-N 3.16Å; T27-V29 PolarHBondContact OG1-O 3.29Å; V29-A41 HydrophobicContact CB-CB 4.47Å; V29-V86 HydrophobicContact CG2-CG1 4.34Å; V29-L89 HydrophobicContact CB-CB 4.44Å; V29-L89 HydrophobicContact CG1-CB 3.45Å; V29-L89 VanDerWaalsContact CG1-CB 3.45Å; V29-L89 HydrophobicContact CG1-CD1 4.32Å; V29-L89 HydrophobicContact CG1-CG 4.31Å; V29-L89 HydrophobicContact CG2-CB 4.16Å | ||
| 30 | L | 98 | Very high | 94.1 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | trans | -137.1 | 94.4 | 168 | -64 | 170.7 | 0 | 0 | 0 | 107.7 | V38 V40 T340 T342 L352 A354 L360 | L30-V38 HydrophobicContact CB-CG2 4.32Å; L30-V38 HydrophobicContact CD2-CG2 4.28Å; L30-V40 HydrophobicContact CD2-CG1 3.9Å; L30-T340 HydrophobicContact CB-CG2 4.42Å; L30-T340 HydrophobicContact CD1-CG2 3.67Å; L30-T340 HydrophobicContact CG-CG2 3.64Å; L30-T342 HydrophobicContact CB-CG2 3.51Å; L30-T342 HydrophobicContact CD1-CG2 4.04Å; L30-T342 HydrophobicContact CG-CG2 4.38Å; L30-L352 HydrophobicContact CD1-CB 4Å; L30-A354 HydrophobicContact CD1-CB 4.44Å; L30-L360 HydrophobicContact CD2-CD1 3.68Å | ||
| 31 | E | 97.6 | Very high | 94.6 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.7 | -177.8 | 178.6 | 73.5 | 172.1 | 0 | 0 | 109.9 | V38 F39 L89 K90 H91 | E31-V38 CarbonylContact O-C 3.53Å; E31-V38 WeakPolarHBondContact O-CA 3.14Å; E31-F39 HydrophobicContact CB-CB 4.3Å; E31-F39 PolarHBondContact N-O 3.27Å; E31-F39 VanDerWaalsContact N-O 3.09Å; E31-F39 PolarHBondContact O-N 3.39Å; E31-L89 HydrophobicContact CB-CD2 3.92Å; E31-L89 HydrophobicContact CG-CD2 4.07Å; E31-K90 IonicContact OE1-NZ 2.64Å; E31-K90 IonicContact OE2-NZ 3.75Å; E31-K90 PolarHBondContact OE2-NZ 3.45Å; E31-H91 HydrophobicContact CG-CB 4.29Å; E31-H91 PolarHBondContact OE1-N 2.92Å |
| 32 | W | 95.4 | Very high | 94.9 | Very high | 35 Ų | 35 | 31.4 Ų | 31.4 | 13% | 0.133 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 142.8 | 179.5 | -71.8 | 105.8 | 0 | 0 | 0 | 112.4 | G37 V38 L56 T342 W343 H344 P345 L352 | W32-G37 VanDerWaalsContact CE3-O 3.26Å; W32-V38 HydrophobicContact CE3-CB 4.36Å; W32-L56 HydrophobicContact CH2-CD1 3.98Å; W32-L56 HydrophobicContact CH2-CD2 3.88Å; W32-L56 HydrophobicContact CZ3-CD1 3.54Å; W32-L56 HydrophobicContact CZ3-CD2 4.09Å; W32-L56 HydrophobicContact CZ3-CG 4.49Å; W32-T342 HydrophobicContact CZ2-CG2 4.28Å; W32-T342 PolarHBondContact NE1-OG1 3.29Å; W32-W343 PolarHBondContact NE1-O 3.27Å; W32-H344 HydrophobicContact CH2-CB 4.33Å; W32-H344 AromaticContact CH2-CD2 3.47Å; W32-H344 VanDerWaalsContact CH2-CD2 3.47Å; W32-H344 WeakPolarHBondContact CH2-CD2 3.46Å; W32-H344 HydrophobicContact CZ2-CB 4.05Å; W32-H344 AromaticContact CZ3-CD2 3.96Å; W32-P345 HydrophobicContact CD2-CG 4.3Å; W32-P345 HydrophobicContact CE3-CG 4.42Å; W32-P345 HydrophobicContact CG-CG 4.39Å; W32-L352 HydrophobicContact CH2-CD1 3.54Å; W32-L352 HydrophobicContact CH2-CD2 3.78Å; W32-L352 HydrophobicContact CH2-CG 4.27Å; W32-L352 HydrophobicContact CZ2-CD1 3.59Å; W32-L352 HydrophobicContact CZ2-CD2 3.85Å; W32-L352 HydrophobicContact CZ2-CG 4.17Å; W32-L352 HydrophobicContact CZ3-CD2 4.5Å |
| 33 | I | 93.3 | Very high | 95.1 | Very high | 41 Ų | 41 | 26.5 Ų | 26.5 | 21% | 0.21 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 105.8 | 165.4 | -179.1 | 165.8 | 0 | 0 | 0 | 109.2 | G37 F39 | I33-G37 PolarHBondContact N-O 2.88Å; I33-G37 PolarHBondContact O-N 2.85Å; I33-F39 HydrophobicContact CB-CD2 4.19Å; I33-F39 HydrophobicContact CB-CE2 3.66Å; I33-F39 HydrophobicContact CD1-CE2 3.66Å; I33-F39 HydrophobicContact CD1-CZ 3.9Å; I33-F39 HydrophobicContact CG1-CE2 4.24Å; I33-F39 HydrophobicContact CG2-CD2 3.96Å; I33-F39 HydrophobicContact CG2-CE2 3.54Å; I33-F39 HydrophobicContact CG2-CZ 4.13Å |
| 34 | G | 89.6 | Confident | 95.1 | Very high | 56 Ų | 56 | 27.8 Ų | 27.8 | 58% | 0.577 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -148.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P345 | G34-P345 WeakPolarHBondContact O-CG 3.26Š|
| 35 | E | 89.3 | Confident | 94.9 | Very high | 81 Ų | 81 | 29.8 Ų | 29.8 | 38% | 0.379 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -6.7 | -173.7 | -49.1 | -179 | 174.9 | 0 | 0 | 114.1 | H344 C346 | E35-H344 PolarHBondContact O-NE2 3.06Å; E35-H344 VanDerWaalsContact O-NE2 3.09Å; E35-C346 VanDerWaalsContact CD-SG 3.56Å; E35-C346 VanDerWaalsContact CG-SG 3.56Å; E35-C346 PolarHBondContact OE1-SG 3.09Å |
| 36 | K | 89.5 | Confident | 94.5 | Very high | 73 Ų | 73 | 34.5 Ų | 34.5 | 32% | 0.317 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -12.3 | -170.9 | -60.2 | -166.7 | -176.5 | -161.7 | 0 | 113.8 | I55 L56 E64 | K36-I55 WeakPolarHBondContact O-CA 3.46Å; K36-L56 VanDerWaalsContact O-CD1 3.27Å; K36-L56 WeakPolarHBondContact O-CD1 3.45Å; K36-L56 PolarHBondContact O-N 3.32Å; K36-E64 IonicContact NZ-OE1 2.97Å; K36-E64 PolarHBondContact NZ-OE1 3.49Å |
| 37 | G | 94.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | W32 I33 L54 | W32-G37 VanDerWaalsContact CE3-O 3.26Å; I33-G37 PolarHBondContact N-O 2.88Å; I33-G37 PolarHBondContact O-N 2.85Å; G37-L54 CarbonylContact C-O 3.58Å; G37-L54 VanDerWaalsContact CA-O 3.26Å; G37-L54 WeakPolarHBondContact CA-O 3.33Å |
| 38 | V | 97 | Very high | 94 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.1 | 172.7 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | L30 E31 W32 L54 L56 F74 L352 | L30-V38 HydrophobicContact CB-CG2 4.32Å; L30-V38 HydrophobicContact CD2-CG2 4.28Å; E31-V38 CarbonylContact O-C 3.53Å; E31-V38 WeakPolarHBondContact O-CA 3.14Å; W32-V38 HydrophobicContact CE3-CB 4.36Å; V38-L54 HydrophobicContact CG1-CB 3.99Å; V38-L54 PolarHBondContact N-O 2.86Å; V38-L54 PolarHBondContact O-N 3.39Å; V38-L56 HydrophobicContact CG1-CD1 4.29Å; V38-F74 HydrophobicContact CG1-CE1 4.12Å; V38-L352 HydrophobicContact CB-CD2 4.06Å; V38-L352 HydrophobicContact CG1-CD2 3.83Å; V38-L352 HydrophobicContact CG2-CD2 3.99Å |
| 39 | F | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.7 | 168.1 | -67.1 | -76.4 | 0 | 0 | 0 | 110.4 | E31 I33 L52 H53 L89 H91 L98 I113 I120 | E31-F39 HydrophobicContact CB-CB 4.3Å; E31-F39 PolarHBondContact N-O 3.27Å; E31-F39 VanDerWaalsContact N-O 3.09Å; E31-F39 PolarHBondContact O-N 3.39Å; I33-F39 HydrophobicContact CB-CD2 4.19Å; I33-F39 HydrophobicContact CB-CE2 3.66Å; I33-F39 HydrophobicContact CD1-CE2 3.66Å; I33-F39 HydrophobicContact CD1-CZ 3.9Å; I33-F39 HydrophobicContact CG1-CE2 4.24Å; I33-F39 HydrophobicContact CG2-CD2 3.96Å; I33-F39 HydrophobicContact CG2-CE2 3.54Å; I33-F39 HydrophobicContact CG2-CZ 4.13Å; F39-L52 VanDerWaalsContact CA-O 3.27Å; F39-L52 WeakPolarHBondContact CA-O 3.34Å; F39-H53 HydrophobicContact CD1-CB 3.82Å; F39-H53 HydrophobicContact CE1-CB 3.48Å; F39-H53 VanDerWaalsContact CE1-CB 3.48Å; F39-H53 AromaticContact CE1-CG 3.68Å; F39-H53 AromaticContact CE1-ND1 3.75Å; F39-H53 HydrophobicContact CZ-CB 4.3Å; F39-H53 AromaticContact CZ-ND1 3.7Å; F39-L89 HydrophobicContact CB-CD1 4.32Å; F39-L89 HydrophobicContact CB-CD2 3.74Å; F39-L89 HydrophobicContact CD2-CD2 4.44Å; F39-L89 HydrophobicContact CG-CD2 4.21Å; F39-H91 HydrophobicContact CE2-CB 4.34Å; F39-L98 HydrophobicContact CD1-CD1 3.95Å; F39-L98 HydrophobicContact CD1-CD2 4.49Å; F39-L98 HydrophobicContact CD2-CD2 3.97Å; F39-L98 HydrophobicContact CE1-CD1 3.76Å; F39-L98 HydrophobicContact CE1-CD2 4.22Å; F39-L98 HydrophobicContact CE2-CD2 3.67Å; F39-L98 HydrophobicContact CG-CD1 4.48Å; F39-L98 HydrophobicContact CG-CD2 4.38Å; F39-L98 HydrophobicContact CZ-CD1 4.18Å; F39-L98 HydrophobicContact CZ-CD2 3.83Å; F39-I113 HydrophobicContact CE1-CD1 4.18Å; F39-I113 HydrophobicContact CE2-CD1 4.39Å; F39-I113 HydrophobicContact CZ-CD1 3.54Å; F39-I113 HydrophobicContact CZ-CG1 4.33Å; F39-I120 HydrophobicContact CD1-CD1 4.42Å; F39-I120 HydrophobicContact CE1-CD1 4.13Å |
| 40 | V | 98.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.2 | 171.4 | -57.9 | 0 | 0 | 0 | 0 | 109.3 | L23 T27 L30 I51 L52 L54 | L23-V40 HydrophobicContact CD1-CG2 4.47Å; L23-V40 HydrophobicContact CD2-CG2 4.4Å; T27-V40 HydrophobicContact CG2-CB 4.36Å; T27-V40 HydrophobicContact CG2-CG1 4.46Å; L30-V40 HydrophobicContact CD2-CG1 3.9Å; V40-I51 WeakPolarHBondContact O-CA 3.45Å; V40-L52 HydrophobicContact CG2-CB 3.8Å; V40-L52 HydrophobicContact CG2-CD1 4.35Å; V40-L52 HydrophobicContact CG2-CG 4.41Å; V40-L52 PolarHBondContact N-O 2.89Å; V40-L52 PolarHBondContact O-N 2.93Å; V40-L54 HydrophobicContact CG1-CD1 4.03Å; V40-L54 HydrophobicContact CG2-CD1 3.72Å; V40-L54 HydrophobicContact CG2-CG 4.04Å |
| 41 | A | 98.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 137.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T27 V29 E50 I51 V86 L89 | T27-A41 WeakPolarHBondContact CA-O 3.18Å; T27-A41 VanDerWaalsContact CB-O 3.31Å; T27-A41 WeakPolarHBondContact CB-O 3.38Å; T27-A41 PolarHBondContact OG1-N 3.23Å; T27-A41 PolarHBondContact OG1-O 2.79Å; V29-A41 HydrophobicContact CB-CB 4.47Å; A41-E50 CarbonylContact C-O 3.56Å; A41-E50 VanDerWaalsContact CA-O 3.26Å; A41-E50 WeakPolarHBondContact CA-O 3.42Å; A41-I51 HydrophobicContact CB-CG1 4.15Å; A41-V86 HydrophobicContact CB-CB 3.61Å; A41-V86 HydrophobicContact CB-CG1 3.49Å; A41-V86 VanDerWaalsContact CB-CG1 3.49Å; A41-V86 HydrophobicContact CB-CG2 4.14Å; A41-L89 HydrophobicContact CB-CD1 4.09Å |
| 42 | G | 97.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -71.4 | 156.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N49 E50 V86 | G42-N49 VanDerWaalsContact C-CG 3.41Å; G42-N49 VanDerWaalsContact O-CB 3.3Å; G42-N49 WeakPolarHBondContact O-CB 3.34Å; G42-N49 VanDerWaalsContact O-CG 3.32Å; G42-N49 PolarHBondContact O-OD1 2.75Å; G42-E50 PolarHBondContact N-O 2.88Å; G42-V86 WeakPolarHBondContact O-CB 3.39Å; G42-V86 PolarHBondContact O-N 2.83Å |
| 43 | Y | 96.1 | Very high | 94.2 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | trans | -132.4 | 16.7 | -179.1 | 69 | -93.5 | 0 | 0 | 0 | 115.7 | A26 R28 N49 S85 V86 F87 | A26-Y43 HydrophobicContact CB-CE1 3.58Å; A26-Y43 WeakPolarHBondContact CB-OH 3.38Å; A26-Y43 WeakPolarHBondContact O-CD1 3.42Å; A26-Y43 VanDerWaalsContact O-CE1 3.22Å; A26-Y43 WeakPolarHBondContact O-CE1 3.5Å; R28-Y43 HydrophobicContact CB-CD1 4.16Å; R28-Y43 HydrophobicContact CB-CE1 4.44Å; R28-Y43 HydrophobicContact CG-CD1 3.6Å; R28-Y43 HydrophobicContact CG-CE1 3.55Å; R28-Y43 HydrophobicContact CG-CE2 4.5Å; R28-Y43 HydrophobicContact CG-CG 4.1Å; R28-Y43 VanDerWaalsContact NE-CE2 3.26Å; Y43-N49 PolarHBondContact N-OD1 3.13Å; Y43-S85 WeakPolarHBondContact O-CB 3.45Å; Y43-S85 PolarHBondContact O-OG 2.98Å; Y43-V86 WeakPolarHBondContact CB-O 3.45Å; Y43-F87 HydrophobicContact CD2-CE1 4.04Å; Y43-F87 HydrophobicContact CG-CD1 4.35Å; Y43-F87 HydrophobicContact CG-CE1 4.2Å | ||
| 44 | E | 92.9 | Very high | 94.3 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | trans | -68.7 | 145.9 | 178.8 | -67.5 | -176.6 | -146.6 | 0 | 0 | 112.2 | K47 N49 S85 | E44-K47 HydrophobicContact CB-CG 4.01Å; E44-K47 VanDerWaalsContact OE1-CE 3.23Å; E44-K47 WeakPolarHBondContact OE1-CE 3.35Å; E44-K47 IonicContact OE1-NZ 3.61Å; E44-K47 PolarHBondContact OE1-NZ 3.46Å; E44-K47 WeakPolarHBondContact OE2-CD 3.44Å; E44-K47 WeakPolarHBondContact OE2-CE 3.44Å; E44-K47 WeakPolarHBondContact OE2-CG 3.36Å; E44-K47 IonicContact OE2-NZ 2.89Å; E44-K47 PolarHBondContact OE2-NZ 2.85Å; E44-N49 PolarHBondContact N-OD1 2.84Å; E44-N49 PolarHBondContact O-ND2 2.85Å; E44-S85 PolarHBondContact O-OG 3.28Å | ||
| 45 | S | 87.8 | Confident | 94.5 | Very high | 117 Ų | 117 | 40 Ų | 40 | 82% | 0.818 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -91.8 | -18.8 | -177.8 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 46 | S | 85.1 | Confident | 94.5 | Very high | 108 Ų | 108 | 36.3 Ų | 36.3 | 76% | 0.755 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -100.7 | -12.2 | -171.4 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 47 | K | 89.6 | Confident | 94.1 | Very high | 91 Ų | 91 | 33 Ų | 33 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -137.3 | 169 | -178.7 | 73.4 | -178.5 | -161.7 | -151.3 | 0 | 111.3 | S24 E44 | S24-K47 PolarHBondContact O-NZ 2.79Å; S24-K47 VanDerWaalsContact O-NZ 3.07Å; E44-K47 HydrophobicContact CB-CG 4.01Å; E44-K47 VanDerWaalsContact OE1-CE 3.23Å; E44-K47 WeakPolarHBondContact OE1-CE 3.35Å; E44-K47 IonicContact OE1-NZ 3.61Å; E44-K47 PolarHBondContact OE1-NZ 3.46Å; E44-K47 WeakPolarHBondContact OE2-CD 3.44Å; E44-K47 WeakPolarHBondContact OE2-CE 3.44Å; E44-K47 WeakPolarHBondContact OE2-CG 3.36Å; E44-K47 IonicContact OE2-NZ 2.89Å; E44-K47 PolarHBondContact OE2-NZ 2.85Å |
| 48 | K | 93.9 | Very high | 93 | Very high | 120 Ų | 120 | 35.3 Ų | 35.3 | 52% | 0.522 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 138.8 | 170.8 | -63.1 | -164.7 | 178.1 | -125.4 | 0 | 109.8 | F81 D83 | K48-F81 HydrophobicContact CB-CD1 4.25Å; K48-F81 HydrophobicContact CD-CB 4.44Å; K48-D83 WeakPolarHBondContact CD-OD1 3.42Å; K48-D83 WeakPolarHBondContact CE-OD1 3.07Å; K48-D83 WeakPolarHBondContact CG-OD1 3.48Å; K48-D83 IonicContact NZ-OD1 2.64Å; K48-D83 PolarHBondContact NZ-OD1 3.4Å; K48-D83 IonicContact NZ-OD2 3.97Å |
| 49 | N | 96.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.011 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.9 | 179 | -68.2 | -68.6 | 0 | 0 | 0 | 110.1 | G42 Y43 E44 F81 S82 R84 S85 | G42-N49 VanDerWaalsContact C-CG 3.41Å; G42-N49 VanDerWaalsContact O-CB 3.3Å; G42-N49 WeakPolarHBondContact O-CB 3.34Å; G42-N49 VanDerWaalsContact O-CG 3.32Å; G42-N49 PolarHBondContact O-OD1 2.75Å; Y43-N49 PolarHBondContact N-OD1 3.13Å; E44-N49 PolarHBondContact N-OD1 2.84Å; E44-N49 PolarHBondContact O-ND2 2.85Å; N49-F81 CarbonylContact O-C 3.53Å; N49-F81 WeakPolarHBondContact O-CA 3.28Å; N49-S82 PolarHBondContact N-O 2.98Å; N49-S82 PolarHBondContact O-N 3.17Å; N49-R84 VanDerWaalsContact ND2-C 3.29Å; N49-R84 PolarHBondContact ND2-O 3.18Å; N49-S85 PolarHBondContact ND2-N 2.94Å |
| 50 | E | 97.3 | Very high | 90.2 | Very high | 59 Ų | 59 | 39.2 Ų | 39.2 | 28% | 0.276 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 140.6 | 172.9 | -67.1 | 179.6 | 161.4 | 0 | 0 | 109.8 | S24 A41 G42 L52 G80 F81 | S24-E50 WeakPolarHBondContact CB-OE2 3.47Å; S24-E50 VanDerWaalsContact OG-CD 3.23Å; S24-E50 PolarHBondContact OG-OE2 2.83Å; A41-E50 CarbonylContact C-O 3.56Å; A41-E50 VanDerWaalsContact CA-O 3.26Å; A41-E50 WeakPolarHBondContact CA-O 3.42Å; G42-E50 PolarHBondContact N-O 2.88Å; E50-L52 HydrophobicContact CB-CD1 4.35Å; E50-L52 HydrophobicContact CB-CD2 4.07Å; E50-L52 HydrophobicContact CB-CG 3.97Å; E50-G80 WeakPolarHBondContact CA-O 3.27Å; E50-F81 HydrophobicContact CG-CD1 4.03Å; E50-F81 HydrophobicContact CG-CE1 3.56Å; E50-F81 HydrophobicContact CG-CZ 4.34Å |
| 51 | I | 98.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.7 | 163.8 | -59 | 173.9 | 0 | 0 | 0 | 105.3 | V40 A41 G79 G80 V86 L89 L98 T100 W111 I120 | V40-I51 WeakPolarHBondContact O-CA 3.45Å; A41-I51 HydrophobicContact CB-CG1 4.15Å; I51-G79 CarbonylContact O-C 3.54Å; I51-G79 WeakPolarHBondContact O-CA 3.4Å; I51-G80 PolarHBondContact N-O 2.97Å; I51-G80 PolarHBondContact O-N 2.89Å; I51-V86 HydrophobicContact CD1-CG2 4.42Å; I51-V86 HydrophobicContact CG1-CG2 4.46Å; I51-L89 HydrophobicContact CG2-CD1 3.85Å; I51-L98 HydrophobicContact CG2-CD1 4.48Å; I51-T100 HydrophobicContact CD1-CG2 4.2Å; I51-W111 HydrophobicContact CD1-CD2 3.92Å; I51-W111 VanDerWaalsContact CD1-CE2 3.47Å; I51-W111 HydrophobicContact CD1-CE3 4.2Å; I51-W111 HydrophobicContact CD1-CH2 3.75Å; I51-W111 HydrophobicContact CD1-CZ2 3.38Å; I51-W111 HydrophobicContact CD1-CZ3 4.12Å; I51-I120 HydrophobicContact CG2-CD1 4.04Å |
| 52 | L | 98.1 | Very high | 86.7 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 12% | 0.12 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.8 | -172.9 | -55.3 | 176.6 | 0 | 0 | 0 | 110.5 | F39 V40 E50 L54 V76 | F39-L52 VanDerWaalsContact CA-O 3.27Å; F39-L52 WeakPolarHBondContact CA-O 3.34Å; V40-L52 HydrophobicContact CG2-CB 3.8Å; V40-L52 HydrophobicContact CG2-CD1 4.35Å; V40-L52 HydrophobicContact CG2-CG 4.41Å; V40-L52 PolarHBondContact N-O 2.89Å; V40-L52 PolarHBondContact O-N 2.93Å; E50-L52 HydrophobicContact CB-CD1 4.35Å; E50-L52 HydrophobicContact CB-CD2 4.07Å; E50-L52 HydrophobicContact CB-CG 3.97Å; L52-L54 HydrophobicContact CB-CD2 3.88Å; L52-L54 HydrophobicContact CB-CG 4.21Å; L52-L54 HydrophobicContact CD1-CD2 4.16Å; L52-V76 HydrophobicContact CD2-CG1 4.17Å |
| 53 | H | 97.7 | Very high | 84.6 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.023 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 105.3 | 161.3 | -175.3 | 162.4 | 0 | 0 | 0 | 107.7 | F39 I55 R77 H78 | F39-H53 HydrophobicContact CD1-CB 3.82Å; F39-H53 HydrophobicContact CE1-CB 3.48Å; F39-H53 VanDerWaalsContact CE1-CB 3.48Å; F39-H53 AromaticContact CE1-CG 3.68Å; F39-H53 AromaticContact CE1-ND1 3.75Å; F39-H53 HydrophobicContact CZ-CB 4.3Å; F39-H53 AromaticContact CZ-ND1 3.7Å; H53-I55 VanDerWaalsContact NE2-CD1 3.32Å; H53-I55 WeakPolarHBondContact NE2-CD1 2.92Å; H53-R77 HydrophobicContact CB-CB 4.45Å; H53-R77 PolarHBondContact O-N 2.78Å; H53-H78 HydrophobicContact CB-CB 4Å; H53-H78 AromaticContact CE1-ND1 3.94Å; H53-H78 AromaticContact CG-ND1 3.66Å; H53-H78 PolarHBondContact N-O 3.02Å; H53-H78 AromaticContact ND1-CE1 3.62Å; H53-H78 AromaticContact ND1-ND1 3.05Å; H53-H78 PolarHBondContact ND1-ND1 3.33Å |
| 54 | L | 95.9 | Very high | 82.6 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.2 | 177.3 | -55.8 | -177.9 | 0 | 0 | 0 | 110.6 | L23 G37 V38 V40 L52 F74 K75 V76 L360 | L23-L54 HydrophobicContact CD2-CD1 3.97Å; G37-L54 CarbonylContact C-O 3.58Å; G37-L54 VanDerWaalsContact CA-O 3.26Å; G37-L54 WeakPolarHBondContact CA-O 3.33Å; V38-L54 HydrophobicContact CG1-CB 3.99Å; V38-L54 PolarHBondContact N-O 2.86Å; V38-L54 PolarHBondContact O-N 3.39Å; V40-L54 HydrophobicContact CG1-CD1 4.03Å; V40-L54 HydrophobicContact CG2-CD1 3.72Å; V40-L54 HydrophobicContact CG2-CG 4.04Å; L52-L54 HydrophobicContact CB-CD2 3.88Å; L52-L54 HydrophobicContact CB-CG 4.21Å; L52-L54 HydrophobicContact CD1-CD2 4.16Å; L54-F74 HydrophobicContact CB-CB 4.38Å; L54-F74 HydrophobicContact CB-CD1 3.73Å; L54-F74 HydrophobicContact CB-CE1 4.33Å; L54-F74 HydrophobicContact CB-CG 4.32Å; L54-F74 HydrophobicContact CD1-CD1 4.38Å; L54-F74 HydrophobicContact CD1-CG 4.38Å; L54-K75 CarbonylContact C-O 3.59Å; L54-V76 HydrophobicContact CD2-CB 4.49Å; L54-V76 HydrophobicContact CD2-CG2 3.77Å; L54-L360 HydrophobicContact CD1-CD2 3.99Å |
| 55 | I | 93.4 | Very high | 80.5 | Confident | 38 Ų | 38 | 54 Ų | 54 | 20% | 0.195 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.7 | 173.1 | -56.5 | -61.2 | 0 | 0 | 0 | 108.3 | K36 H53 F74 K75 R77 | K36-I55 WeakPolarHBondContact O-CA 3.46Å; H53-I55 VanDerWaalsContact NE2-CD1 3.32Å; H53-I55 WeakPolarHBondContact NE2-CD1 2.92Å; I55-F74 WeakPolarHBondContact O-CA 3.2Å; I55-F74 WeakPolarHBondContact O-CD1 3.04Å; I55-K75 HydrophobicContact CB-CB 4.32Å; I55-K75 PolarHBondContact N-O 2.7Å; I55-K75 PolarHBondContact O-N 2.82Å; I55-R77 HydrophobicContact CD1-CB 4.24Å; I55-R77 HydrophobicContact CG1-CB 3.83Å |
| 56 | L | 88.5 | Confident | 78.6 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | trans | -60.7 | 144.6 | 179.4 | -83.6 | 75.7 | 0 | 0 | 0 | 110.8 | W32 K36 V38 L60 F74 L352 V362 | W32-L56 HydrophobicContact CH2-CD1 3.98Å; W32-L56 HydrophobicContact CH2-CD2 3.88Å; W32-L56 HydrophobicContact CZ3-CD1 3.54Å; W32-L56 HydrophobicContact CZ3-CD2 4.09Å; W32-L56 HydrophobicContact CZ3-CG 4.49Å; K36-L56 VanDerWaalsContact O-CD1 3.27Å; K36-L56 WeakPolarHBondContact O-CD1 3.45Å; K36-L56 PolarHBondContact O-N 3.32Å; V38-L56 HydrophobicContact CG1-CD1 4.29Å; L56-L60 HydrophobicContact CD2-CB 4.26Å; L56-F74 HydrophobicContact CB-CE1 4.44Å; L56-F74 HydrophobicContact CD1-CE1 3.89Å; L56-F74 HydrophobicContact CG-CE1 3.79Å; L56-F74 HydrophobicContact CG-CZ 4.43Å; L56-L352 HydrophobicContact CD2-CD1 4.45Å; L56-V362 HydrophobicContact CD2-CG1 4.47Å | ||
| 57 | P | 80.9 | Confident | 77.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | trans | -49.9 | 141.6 | 169.5 | -24.6 | 29.7 | 0 | 0 | 0 | 112.2 | F21 R59 L60 S61 R72 | F21-P57 HydrophobicContact CE2-CG 4.42Å; F21-P57 HydrophobicContact CZ-CG 3.8Å; P57-R59 PolarHBondContact O-N 2.82Å; P57-R59 VanDerWaalsContact O-N 3.13Å; P57-L60 HydrophobicContact CB-CD1 4.22Å; P57-L60 HydrophobicContact CG-CD1 3.94Å; P57-L60 WeakPolarHBondContact O-CA 3.35Å; P57-L60 WeakPolarHBondContact O-CB 3.43Å; P57-L60 PolarHBondContact O-N 2.81Å; P57-S61 PolarHBondContact O-N 2.88Å; P57-R72 VanDerWaalsContact CG-O 3.23Å; P57-R72 WeakPolarHBondContact CG-O 3.44Å | ||
| 58 | L | 72.1 | Confident | 75.5 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -57.3 | -34.2 | -173.3 | -70.1 | 172.2 | 0 | 0 | 0 | 113.9 | L60 S61 F69 | L58-L60 PolarHBondContact O-N 2.96Å; L58-S61 WeakPolarHBondContact O-CB 3.32Å; L58-S61 PolarHBondContact O-N 3.46Å; L58-S61 PolarHBondContact O-OG 2.82Å; L58-F69 HydrophobicContact CB-CB 4.48Å; L58-F69 HydrophobicContact CB-CD1 3.78Å; L58-F69 HydrophobicContact CB-CE1 4.24Å; L58-F69 HydrophobicContact CB-CG 4.07Å; L58-F69 HydrophobicContact CD1-CD1 3.67Å; L58-F69 HydrophobicContact CD1-CE1 4.13Å; L58-F69 HydrophobicContact CG-CD1 4.39Å |
| 59 | R | 67.6 | Low | 73.8 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -58.9 | -32.6 | 174.2 | -68.2 | -171.3 | -179.7 | -156.3 | -4.4 | 113 | P57 S61 N65 F69 | P57-R59 PolarHBondContact O-N 2.82Å; P57-R59 VanDerWaalsContact O-N 3.13Å; R59-S61 VanDerWaalsContact C-N 3.28Å; R59-N65 PolarHBondContact O-OD1 3.38Å; R59-F69 HydrophobicContact CG-CB 4.07Å; R59-F69 HydrophobicContact CG-CD2 4.04Å; R59-F69 HydrophobicContact CG-CG 4.42Å |
| 60 | L | 68.3 | Low | 71.9 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -86.6 | -1.4 | 179.1 | -60.4 | 168.3 | 0 | 0 | 0 | 112.1 | D17 H19 L56 P57 L58 K347 V362 | D17-L60 HydrophobicContact CB-CD2 3.77Å; H19-L60 HydrophobicContact CB-CD1 4.22Å; L56-L60 HydrophobicContact CD2-CB 4.26Å; P57-L60 HydrophobicContact CB-CD1 4.22Å; P57-L60 HydrophobicContact CG-CD1 3.94Å; P57-L60 WeakPolarHBondContact O-CA 3.35Å; P57-L60 WeakPolarHBondContact O-CB 3.43Å; P57-L60 PolarHBondContact O-N 2.81Å; L58-L60 PolarHBondContact O-N 2.96Å; L60-K347 WeakPolarHBondContact O-CE 3.45Å; L60-K347 PolarHBondContact O-NZ 3.41Å; L60-V362 HydrophobicContact CD1-CB 3.84Å; L60-V362 HydrophobicContact CD1-CG1 3.67Å; L60-V362 HydrophobicContact CD1-CG2 4.21Å; L60-V362 HydrophobicContact CD2-CG1 4.21Å; L60-V362 HydrophobicContact CG-CG1 4.41Å |
| 61 | S | 63.3 | Low | 70.4 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -86.3 | 143.2 | 176.3 | 83.1 | 0 | 0 | 0 | 0 | 112.3 | P57 L58 R59 K63 | P57-S61 PolarHBondContact O-N 2.88Å; L58-S61 WeakPolarHBondContact O-CB 3.32Å; L58-S61 PolarHBondContact O-N 3.46Å; L58-S61 PolarHBondContact O-OG 2.82Å; R59-S61 VanDerWaalsContact C-N 3.28Å; S61-K63 PolarHBondContact O-N 2.84Å |
| 62 | V | 59 | Low | 69 | Low | 57 Ų | 57 | 70.1 Ų | 70.1 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21 | -164.3 | -177.8 | 0 | 0 | 0 | 0 | 115.3 | C346 K347 | V62-C346 HydrophobicContact CG2-CB 4.14Å; V62-K347 HydrophobicContact CG2-CD 4.44Å; V62-K347 HydrophobicContact CG2-CG 3.94Å |
| 63 | K | 54.4 | Low | 68.2 | Low | 171 Ų | 171 | 74.3 Ų | 74.3 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | 0.8 | -163.6 | -72.8 | -173.5 | -176.6 | 176.1 | 0 | 116.8 | S61 | S61-K63 PolarHBondContact O-N 2.84Š|
| 64 | E | 54 | Low | 67.8 | Low | 73 Ų | 73 | 75.5 Ų | 75.5 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | trans | -125.5 | 26.7 | -161 | -72.8 | 169.7 | -137.7 | 0 | 0 | 115 | K36 Q66 F69 | K36-E64 IonicContact NZ-OE1 2.97Å; K36-E64 PolarHBondContact NZ-OE1 3.49Å; E64-Q66 PolarHBondContact O-N 3.45Å; E64-F69 HydrophobicContact CB-CZ 4Å; E64-F69 WeakPolarHBondContact O-CE2 3.35Å; E64-F69 WeakPolarHBondContact O-CZ 3.41Å | ||
| 65 | N | 48.8 | Very low | 67.5 | Low | 120 Ų | 120 | 81.5 Ų | 81.5 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | trans | -72.9 | 31.5 | -179.1 | -79.9 | -7.7 | 0 | 0 | 0 | 116.5 | R59 | R59-N65 PolarHBondContact O-OD1 3.38Š| ||
| 66 | Q | 47.7 | Very low | 67.6 | Low | 202 Ų | 202 | 83.5 Ų | 83.5 | 94% | 0.944 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -119.8 | 36.2 | 179.3 | -63.6 | -163.3 | 3.7 | 0 | 0 | 114.6 | E64 | E64-Q66 PolarHBondContact O-N 3.45Š|
| 67 | G | 54.6 | Low | 67.9 | Low | 46 Ų | 46 | 89.4 Ų | 89.4 | 47% | 0.474 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -164.1 | 163.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | F69 | G67-F69 WeakPolarHBondContact O-CD2 3.26Å; G67-F69 WeakPolarHBondContact O-CE2 3.27Å; G67-F69 PolarHBondContact O-N 2.86Å |
| 68 | L | 54.9 | Low | 68.7 | Low | 167 Ų | 167 | 89.8 Ų | 89.8 | 87% | 0.874 | 44% | 0.443 | S | S | * | . | trans | -76.6 | 97.5 | 166.1 | -72.5 | 169.5 | 0 | 0 | 0 | 108.6 | P70 | L68-P70 WeakPolarHBondContact O-CD 3.39Š| ||
| 69 | F | 58.6 | Low | 70 | Confident | 39 Ų | 39 | 88.4 Ų | 88.4 | 17% | 0.171 | 44% | 0.442 | C | S | . | . | trans | -83.3 | 123.5 | 172.3 | -60.7 | -83 | 0 | 0 | 0 | 110.1 | L58 R59 E64 G67 | L58-F69 HydrophobicContact CB-CB 4.48Å; L58-F69 HydrophobicContact CB-CD1 3.78Å; L58-F69 HydrophobicContact CB-CE1 4.24Å; L58-F69 HydrophobicContact CB-CG 4.07Å; L58-F69 HydrophobicContact CD1-CD1 3.67Å; L58-F69 HydrophobicContact CD1-CE1 4.13Å; L58-F69 HydrophobicContact CG-CD1 4.39Å; R59-F69 HydrophobicContact CG-CB 4.07Å; R59-F69 HydrophobicContact CG-CD2 4.04Å; R59-F69 HydrophobicContact CG-CG 4.42Å; E64-F69 HydrophobicContact CB-CZ 4Å; E64-F69 WeakPolarHBondContact O-CE2 3.35Å; E64-F69 WeakPolarHBondContact O-CZ 3.41Å; G67-F69 WeakPolarHBondContact O-CD2 3.26Å; G67-F69 WeakPolarHBondContact O-CE2 3.27Å; G67-F69 PolarHBondContact O-N 2.86Å | ||
| 70 | P | 57 | Low | 71.4 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | trans | -76.4 | -27.1 | 176.2 | 30 | -32.9 | 0 | 0 | 0 | 112 | L68 R72 | L68-P70 WeakPolarHBondContact O-CD 3.39Å; P70-R72 PolarHBondContact O-N 2.83Å | ||
| 71 | E | 65.1 | Low | 72.8 | Confident | 109 Ų | 109 | 90.6 Ų | 90.6 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | trans | -76.3 | 117.1 | 178.9 | -67.9 | -178.6 | -178.5 | 0 | 0 | 110.5 | ||||
| 72 | R | 69.6 | Low | 74.3 | Confident | 154 Ų | 154 | 90.9 Ų | 90.9 | 58% | 0.581 | 46% | 0.457 | S | S | * | . | trans | -112.7 | -13.2 | -179.2 | -65.2 | -176.5 | 176.5 | -167.3 | -1.6 | 113.1 | F21 P57 P70 | F21-R72 WeakPolarHBondContact CE1-O 3.46Å; F21-R72 VanDerWaalsContact CZ-O 3.24Å; F21-R72 WeakPolarHBondContact CZ-O 3.42Å; P57-R72 VanDerWaalsContact CG-O 3.23Å; P57-R72 WeakPolarHBondContact CG-O 3.44Å; P70-R72 PolarHBondContact O-N 2.83Å | ||
| 73 | D | 80.9 | Confident | 76 | Confident | 112 Ų | 112 | 94 Ų | 94 | 60% | 0.599 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -107.1 | 156.5 | -171.7 | -56.6 | -31.5 | 0 | 0 | 0 | 113.5 | F21 K75 | F21-D73 HydrophobicContact CD1-CB 4.48Å; F21-D73 VanDerWaalsContact CE1-CA 3.48Å; F21-D73 HydrophobicContact CE1-CB 4.04Å; F21-D73 WeakPolarHBondContact CE1-OD1 3.47Å; D73-K75 PolarHBondContact O-N 2.8Å |
| 74 | F | 88.1 | Confident | 77.9 | Confident | 30 Ų | 30 | 87.3 Ų | 87.3 | 13% | 0.132 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 134.4 | 169 | -80.5 | -81.1 | 0 | 0 | 0 | 110.1 | F21 V38 L54 I55 L56 L360 V362 | F21-F74 HydrophobicContact CB-CD2 4.08Å; F21-F74 HydrophobicContact CB-CE2 4.37Å; F21-F74 AromaticContact CD1-CD2 4Å; F21-F74 HydrophobicContact CD1-CD2 4Å; F21-F74 AromaticContact CD2-CD2 3.25Å; F21-F74 HydrophobicContact CD2-CD2 3.25Å; F21-F74 AromaticContact CD2-CE2 3.13Å; F21-F74 HydrophobicContact CD2-CE2 3.13Å; F21-F74 HydrophobicContact CD2-CZ 4.39Å; F21-F74 HydrophobicContact CE1-CD2 4.28Å; F21-F74 AromaticContact CE2-CD2 3.45Å; F21-F74 HydrophobicContact CE2-CD2 3.45Å; F21-F74 VanDerWaalsContact CE2-CD2 3.45Å; F21-F74 AromaticContact CE2-CE2 3.34Å; F21-F74 HydrophobicContact CE2-CE2 3.34Å; F21-F74 HydrophobicContact CE2-CZ 4.38Å; F21-F74 AromaticContact CG-CD2 3.47Å; F21-F74 HydrophobicContact CG-CD2 3.47Å; F21-F74 VanDerWaalsContact CG-CD2 3.47Å; F21-F74 AromaticContact CG-CE2 3.82Å; F21-F74 HydrophobicContact CG-CE2 3.82Å; F21-F74 AromaticContact CZ-CD2 3.98Å; F21-F74 HydrophobicContact CZ-CD2 3.98Å; F21-F74 HydrophobicContact CZ-CE2 4.28Å; V38-F74 HydrophobicContact CG1-CE1 4.12Å; L54-F74 HydrophobicContact CB-CB 4.38Å; L54-F74 HydrophobicContact CB-CD1 3.73Å; L54-F74 HydrophobicContact CB-CE1 4.33Å; L54-F74 HydrophobicContact CB-CG 4.32Å; L54-F74 HydrophobicContact CD1-CD1 4.38Å; L54-F74 HydrophobicContact CD1-CG 4.38Å; I55-F74 WeakPolarHBondContact O-CA 3.2Å; I55-F74 WeakPolarHBondContact O-CD1 3.04Å; L56-F74 HydrophobicContact CB-CE1 4.44Å; L56-F74 HydrophobicContact CD1-CE1 3.89Å; L56-F74 HydrophobicContact CG-CE1 3.79Å; L56-F74 HydrophobicContact CG-CZ 4.43Å; F74-L360 HydrophobicContact CD2-CD2 4.18Å; F74-L360 HydrophobicContact CE2-CD2 3.6Å; F74-L360 HydrophobicContact CE2-CG 4.12Å; F74-L360 HydrophobicContact CZ-CD2 3.88Å; F74-L360 HydrophobicContact CZ-CG 4.46Å; F74-V362 HydrophobicContact CE1-CG2 4.37Å; F74-V362 HydrophobicContact CE2-CG2 3.75Å; F74-V362 HydrophobicContact CZ-CG2 3.32Å |
| 75 | K | 91.6 | Very high | 79.8 | Confident | 132 Ų | 132 | 84.4 Ų | 84.4 | 57% | 0.574 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.8 | 171.4 | 178.8 | 177.2 | 178.2 | 177.4 | 0 | 109.9 | L54 I55 D73 R77 | L54-K75 CarbonylContact C-O 3.59Å; I55-K75 HydrophobicContact CB-CB 4.32Å; I55-K75 PolarHBondContact N-O 2.7Å; I55-K75 PolarHBondContact O-N 2.82Å; D73-K75 PolarHBondContact O-N 2.8Å; K75-R77 PolarHBondContact O-N 2.84Å |
| 76 | V | 94.2 | Very high | 82.1 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 49% | 0.485 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 121.9 | 168.8 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | L52 L54 | L52-V76 HydrophobicContact CD2-CG1 4.17Å; L54-V76 HydrophobicContact CD2-CB 4.49Å; L54-V76 HydrophobicContact CD2-CG2 3.77Å |
| 77 | R | 95.5 | Very high | 84.5 | Confident | 129 Ų | 129 | 70.3 Ų | 70.3 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -40.7 | 176.5 | -172.2 | -177.2 | 173.5 | 173.3 | 0.8 | 112.4 | H53 I55 K75 D118 | H53-R77 HydrophobicContact CB-CB 4.45Å; H53-R77 PolarHBondContact O-N 2.78Å; I55-R77 HydrophobicContact CD1-CB 4.24Å; I55-R77 HydrophobicContact CG1-CB 3.83Å; K75-R77 PolarHBondContact O-N 2.84Å; R77-D118 WeakPolarHBondContact O-CB 3.37Å |
| 78 | H | 98.1 | Very high | 86.5 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.046 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.3 | 174.2 | -46.5 | 87.9 | 0 | 0 | 0 | 109.4 | H53 I113 N117 D118 I120 | H53-H78 HydrophobicContact CB-CB 4Å; H53-H78 AromaticContact CE1-ND1 3.94Å; H53-H78 AromaticContact CG-ND1 3.66Å; H53-H78 PolarHBondContact N-O 3.02Å; H53-H78 AromaticContact ND1-CE1 3.62Å; H53-H78 AromaticContact ND1-ND1 3.05Å; H53-H78 PolarHBondContact ND1-ND1 3.33Å; H78-I113 HydrophobicContact CB-CG2 4.5Å; H78-N117 PolarHBondContact CD2-O 2.81Å; H78-D118 CarbonylContact C-O 3.55Å; H78-D118 WeakPolarHBondContact CA-O 3.37Å; H78-I120 HydrophobicContact CB-CD1 3.99Å; H78-I120 HydrophobicContact CB-CG1 3.69Å |
| 79 | G | 97.9 | Very high | 88.5 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I51 D118 V119 I120 | I51-G79 CarbonylContact O-C 3.54Å; I51-G79 WeakPolarHBondContact O-CA 3.4Å; G79-D118 PolarHBondContact N-O 2.8Å; G79-V119 CarbonylContact O-C 3.58Å; G79-V119 WeakPolarHBondContact O-CA 3.24Å; G79-I120 PolarHBondContact O-N 3.38Å |
| 80 | G | 97.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 168.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E50 I51 I120 | E50-G80 WeakPolarHBondContact CA-O 3.27Å; I51-G80 PolarHBondContact N-O 2.97Å; I51-G80 PolarHBondContact O-N 2.89Å; G80-I120 WeakPolarHBondContact CA-O 3.47Å |
| 81 | F | 97.1 | Very high | 92.3 | Very high | 123 Ų | 123 | 58.1 Ų | 58.1 | 54% | 0.539 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.1 | 176.2 | -67.9 | -84.1 | 0 | 0 | 0 | 110.5 | K48 N49 E50 | K48-F81 HydrophobicContact CB-CD1 4.25Å; K48-F81 HydrophobicContact CD-CB 4.44Å; N49-F81 CarbonylContact O-C 3.53Å; N49-F81 WeakPolarHBondContact O-CA 3.28Å; E50-F81 HydrophobicContact CG-CD1 4.03Å; E50-F81 HydrophobicContact CG-CE1 3.56Å; E50-F81 HydrophobicContact CG-CZ 4.34Å |
| 82 | S | 96.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 53 Ų | 53 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.6 | 170.8 | 173.2 | 0 | 0 | 0 | 0 | 109.6 | N49 R84 | N49-S82 PolarHBondContact N-O 2.98Å; N49-S82 PolarHBondContact O-N 3.17Å; S82-R84 PolarHBondContact O-N 3.26Å; S82-R84 PolarHBondContact OG-N 3.45Å; S82-R84 PolarHBondContact OG-O 3.09Å |
| 83 | D | 94.4 | Very high | 94.7 | Very high | 123 Ų | 123 | 47.4 Ų | 47.4 | 66% | 0.658 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -75.6 | 3.2 | 170.3 | -62.1 | -39.7 | 0 | 0 | 0 | 112.4 | K48 | K48-D83 WeakPolarHBondContact CD-OD1 3.42Å; K48-D83 WeakPolarHBondContact CE-OD1 3.07Å; K48-D83 WeakPolarHBondContact CG-OD1 3.48Å; K48-D83 IonicContact NZ-OD1 2.64Å; K48-D83 PolarHBondContact NZ-OD1 3.4Å; K48-D83 IonicContact NZ-OD2 3.97Å |
| 84 | R | 93.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -123.3 | 152.7 | -177.8 | -70 | -179.3 | 53.7 | -151.7 | -5.4 | 111.8 | N49 S82 V86 G102 L103 P104 Y107 | N49-R84 VanDerWaalsContact ND2-C 3.29Å; N49-R84 PolarHBondContact ND2-O 3.18Å; S82-R84 PolarHBondContact O-N 3.26Å; S82-R84 PolarHBondContact OG-N 3.45Å; S82-R84 PolarHBondContact OG-O 3.09Å; R84-V86 PolarHBondContact O-N 2.88Å; R84-G102 PolarHBondContact NH2-O 2.9Å; R84-L103 WeakPolarHBondContact CB-O 3.38Å; R84-L103 PolarHBondContact NE-O 2.87Å; R84-P104 VanDerWaalsContact CZ-O 3.26Å; R84-P104 PolarHBondContact NH2-O 3.44Å; R84-Y107 WeakPolarHBondContact CD-OH 3.23Å; R84-Y107 PolarHBondContact NH1-O 2.57Å |
| 85 | S | 95.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128.7 | 167.8 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | Y43 E44 N49 G102 L103 | Y43-S85 WeakPolarHBondContact O-CB 3.45Å; Y43-S85 PolarHBondContact O-OG 2.98Å; E44-S85 PolarHBondContact O-OG 3.28Å; N49-S85 PolarHBondContact ND2-N 2.94Å; S85-G102 WeakPolarHBondContact O-CA 3.47Å; S85-L103 PolarHBondContact O-N 2.81Å |
| 86 | V | 97.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.9 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | V29 A41 G42 Y43 I51 R84 D88 L89 T100 | V29-V86 HydrophobicContact CG2-CG1 4.34Å; A41-V86 HydrophobicContact CB-CB 3.61Å; A41-V86 HydrophobicContact CB-CG1 3.49Å; A41-V86 VanDerWaalsContact CB-CG1 3.49Å; A41-V86 HydrophobicContact CB-CG2 4.14Å; G42-V86 WeakPolarHBondContact O-CB 3.39Å; G42-V86 PolarHBondContact O-N 2.83Å; Y43-V86 WeakPolarHBondContact CB-O 3.45Å; I51-V86 HydrophobicContact CD1-CG2 4.42Å; I51-V86 HydrophobicContact CG1-CG2 4.46Å; R84-V86 PolarHBondContact O-N 2.88Å; V86-D88 WeakPolarHBondContact CG1-O 3.43Å; V86-L89 HydrophobicContact CG1-CB 4.44Å; V86-T100 HydrophobicContact CG1-CG2 3.9Å |
| 87 | F | 96.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 10% | 0.101 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -22 | -178.3 | -64.7 | -26.8 | 0 | 0 | 0 | 113.5 | Y43 T101 L103 W136 | Y43-F87 HydrophobicContact CD2-CE1 4.04Å; Y43-F87 HydrophobicContact CG-CD1 4.35Å; Y43-F87 HydrophobicContact CG-CE1 4.2Å; F87-T101 PolarHBondContact N-O 2.71Å; F87-L103 HydrophobicContact CD2-CG 4.25Å; F87-L103 HydrophobicContact CE2-CB 4.24Å; F87-L103 HydrophobicContact CE2-CD1 3.51Å; F87-L103 HydrophobicContact CE2-CG 3.49Å; F87-L103 VanDerWaalsContact CE2-CG 3.49Å; F87-L103 HydrophobicContact CZ-CD1 3.91Å; F87-L103 HydrophobicContact CZ-CG 4.22Å; F87-W136 HydrophobicContact CB-CD2 4.33Å; F87-W136 HydrophobicContact CB-CG 4.29Å; F87-W136 HydrophobicContact CB-CZ2 4.33Å; F87-W136 HydrophobicContact CD2-CB 4.32Å; F87-W136 AromaticContact CD2-CD2 3.34Å; F87-W136 HydrophobicContact CD2-CD2 3.34Å; F87-W136 AromaticContact CD2-CE2 3.53Å; F87-W136 AromaticContact CD2-CE3 3.58Å; F87-W136 HydrophobicContact CD2-CE3 3.58Å; F87-W136 AromaticContact CD2-CG 3.68Å; F87-W136 HydrophobicContact CD2-CG 3.68Å; F87-W136 HydrophobicContact CD2-CH2 4.16Å; F87-W136 AromaticContact CD2-CZ2 3.97Å; F87-W136 HydrophobicContact CD2-CZ2 3.97Å; F87-W136 AromaticContact CD2-CZ3 3.99Å; F87-W136 HydrophobicContact CD2-CZ3 3.99Å; F87-W136 AromaticContact CD2-NE1 3.95Å; F87-W136 AromaticContact CE2-CD2 3.97Å; F87-W136 HydrophobicContact CE2-CD2 3.97Å; F87-W136 AromaticContact CE2-CE3 3.69Å; F87-W136 HydrophobicContact CE2-CE3 3.69Å; F87-W136 HydrophobicContact CE2-CH2 4.27Å; F87-W136 AromaticContact CE2-CZ3 3.86Å; F87-W136 HydrophobicContact CE2-CZ3 3.86Å; F87-W136 HydrophobicContact CG-CD2 4.29Å; F87-W136 HydrophobicContact CG-CZ2 4.4Å |
| 88 | D | 96.8 | Very high | 95.7 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.16 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 146 | 173.8 | -155.8 | -6.2 | 0 | 0 | 0 | 108.8 | V86 T100 T101 V139 | V86-D88 WeakPolarHBondContact CG1-O 3.43Å; D88-T100 CarbonylContact O-C 3.57Å; D88-T100 VanDerWaalsContact O-CA 3.27Å; D88-T100 WeakPolarHBondContact O-CA 3.32Å; D88-T101 WeakPolarHBondContact CB-OG1 3.23Å; D88-T101 PolarHBondContact N-O 2.76Å; D88-T101 PolarHBondContact O-N 3.25Å; D88-V139 HydrophobicContact CB-CG1 3.92Å; D88-V139 VanDerWaalsContact OD2-CG1 3.3Å; D88-V139 WeakPolarHBondContact OD2-CG1 3.15Å; D88-V139 PolarHBondContact OD2-N 3.08Å |
| 89 | L | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 129.9 | 178.7 | -175.5 | 158.3 | 0 | 0 | 0 | 107.8 | V29 E31 F39 A41 I51 V86 L98 V99 T100 | V29-L89 HydrophobicContact CB-CB 4.44Å; V29-L89 HydrophobicContact CG1-CB 3.45Å; V29-L89 VanDerWaalsContact CG1-CB 3.45Å; V29-L89 HydrophobicContact CG1-CD1 4.32Å; V29-L89 HydrophobicContact CG1-CG 4.31Å; V29-L89 HydrophobicContact CG2-CB 4.16Å; E31-L89 HydrophobicContact CB-CD2 3.92Å; E31-L89 HydrophobicContact CG-CD2 4.07Å; F39-L89 HydrophobicContact CB-CD1 4.32Å; F39-L89 HydrophobicContact CB-CD2 3.74Å; F39-L89 HydrophobicContact CD2-CD2 4.44Å; F39-L89 HydrophobicContact CG-CD2 4.21Å; A41-L89 HydrophobicContact CB-CD1 4.09Å; I51-L89 HydrophobicContact CG2-CD1 3.85Å; V86-L89 HydrophobicContact CG1-CB 4.44Å; L89-L98 HydrophobicContact CD2-CD2 4.17Å; L89-V99 CarbonylContact C-O 3.6Å; L89-V99 VanDerWaalsContact CA-O 3.3Å; L89-V99 WeakPolarHBondContact CA-O 3.2Å; L89-T100 HydrophobicContact CB-CG2 4.13Å; L89-T100 HydrophobicContact CD1-CG2 3.79Å; L89-T100 HydrophobicContact CG-CG2 3.8Å |
| 90 | K | 97.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 24% | 0.235 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.1 | 174.9 | -65.9 | -71.7 | 153.9 | -160.3 | 0 | 110.6 | E31 L98 V99 V139 V141 | E31-K90 IonicContact OE1-NZ 2.64Å; E31-K90 IonicContact OE2-NZ 3.75Å; E31-K90 PolarHBondContact OE2-NZ 3.45Å; K90-L98 WeakPolarHBondContact O-CA 3.33Å; K90-V99 PolarHBondContact N-O 2.99Å; K90-V99 PolarHBondContact O-N 2.9Å; K90-V139 HydrophobicContact CG-CG1 3.88Å; K90-V141 HydrophobicContact CB-CG2 3.58Å; K90-V141 HydrophobicContact CG-CG2 4.3Å |
| 91 | H | 96.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 39 Ų | 39 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 138.7 | 166.7 | 174.4 | -110.4 | 0 | 0 | 0 | 108.9 | E31 F39 P93 T95 L97 L98 | E31-H91 HydrophobicContact CG-CB 4.29Å; E31-H91 PolarHBondContact OE1-N 2.92Å; F39-H91 HydrophobicContact CE2-CB 4.34Å; H91-P93 WeakPolarHBondContact O-CD 3.42Å; H91-T95 PolarHBondContact NE2-O 2.88Å; H91-L97 PolarHBondContact CD2-O 3.37Å; H91-L98 HydrophobicContact CB-CD2 3.86Å |
| 92 | V | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -89 | 112.3 | 175.8 | 180 | 0 | 0 | 0 | 0 | 107.9 | T95 L97 V99 V141 P147 I149 I163 | V92-T95 VanDerWaalsContact CB-OG1 3.27Å; V92-T95 WeakPolarHBondContact CB-OG1 3.49Å; V92-T95 HydrophobicContact CG1-CG2 3.97Å; V92-T95 WeakPolarHBondContact CG1-OG1 3.31Å; V92-T95 PolarHBondContact O-N 2.88Å; V92-T95 PolarHBondContact O-OG1 2.89Å; V92-L97 HydrophobicContact CB-CB 4.03Å; V92-L97 HydrophobicContact CG2-CB 4.02Å; V92-L97 PolarHBondContact N-O 2.77Å; V92-V99 HydrophobicContact CG2-CG2 3.96Å; V92-V141 HydrophobicContact CG1-CG1 4.28Å; V92-V141 HydrophobicContact CG2-CG1 4.43Å; V92-P147 HydrophobicContact CG1-CB 3.55Å; V92-P147 HydrophobicContact CG1-CG 3.69Å; V92-I149 HydrophobicContact CG2-CD1 4.05Å; V92-I163 HydrophobicContact CG2-CD1 3.82Å | ||
| 93 | P | 91.2 | Very high | 95.3 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 24% | 0.24 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 144.8 | -173.4 | -28.1 | 37.1 | 0 | 0 | 0 | 112.8 | H91 T95 S143 | H91-P93 WeakPolarHBondContact O-CD 3.42Å; P93-T95 WeakPolarHBondContact O-CG2 3.45Å; P93-T95 PolarHBondContact O-N 3.09Å; P93-S143 WeakPolarHBondContact CG-OG 3.32Å |
| 94 | D | 89.7 | Confident | 95.1 | Very high | 172 Ų | 172 | 32.2 Ų | 32.2 | 92% | 0.92 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 13.4 | -179.7 | -55.4 | -44 | 0 | 0 | 0 | 115.5 | ||
| 95 | T | 92.5 | Very high | 94.8 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 29% | 0.288 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -126.8 | 176.2 | 174.7 | 79.2 | 0 | 0 | 0 | 0 | 111.3 | H91 V92 P93 L97 P147 | H91-T95 PolarHBondContact NE2-O 2.88Å; V92-T95 VanDerWaalsContact CB-OG1 3.27Å; V92-T95 WeakPolarHBondContact CB-OG1 3.49Å; V92-T95 HydrophobicContact CG1-CG2 3.97Å; V92-T95 WeakPolarHBondContact CG1-OG1 3.31Å; V92-T95 PolarHBondContact O-N 2.88Å; V92-T95 PolarHBondContact O-OG1 2.89Å; P93-T95 WeakPolarHBondContact O-CG2 3.45Å; P93-T95 PolarHBondContact O-N 3.09Å; T95-L97 PolarHBondContact OG1-N 3.47Å; T95-L97 VanDerWaalsContact OG1-N 3.1Å; T95-P147 HydrophobicContact CG2-CG 4.42Å |
| 96 | R | 94.3 | Very high | 94.5 | Very high | 88 Ų | 88 | 32.2 Ų | 32.2 | 33% | 0.332 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -101.3 | 23.3 | 170.9 | -70.6 | -178.9 | -177.3 | -95.9 | 7.7 | 111.9 | I113 G114 E115 | R96-I113 HydrophobicContact CB-CB 4.23Å; R96-I113 WeakPolarHBondContact O-CB 3.48Å; R96-I113 WeakPolarHBondContact O-CG1 3.27Å; R96-I113 PolarHBondContact O-N 2.88Å; R96-G114 PolarHBondContact NH1-O 3.19Å; R96-G114 VanDerWaalsContact NH1-O 3.17Å; R96-E115 IonicContact CZ-OE1 3.12Å; R96-E115 IonicContact NE-OE1 3.54Å; R96-E115 IonicContact NH2-OE1 3.52Å; R96-E115 PolarHBondContact NH2-OE1 2.74Å |
| 97 | L | 96.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.2 | -178.6 | -62 | 173.4 | 0 | 0 | 0 | 111.7 | H91 V92 T95 V110 W111 Q112 V123 I163 | H91-L97 PolarHBondContact CD2-O 3.37Å; V92-L97 HydrophobicContact CB-CB 4.03Å; V92-L97 HydrophobicContact CG2-CB 4.02Å; V92-L97 PolarHBondContact N-O 2.77Å; T95-L97 PolarHBondContact OG1-N 3.47Å; T95-L97 VanDerWaalsContact OG1-N 3.1Å; L97-V110 HydrophobicContact CD2-CG1 4.13Å; L97-W111 CarbonylContact C-O 3.56Å; L97-W111 VanDerWaalsContact CA-O 3.26Å; L97-W111 WeakPolarHBondContact CA-O 3.23Å; L97-W111 WeakPolarHBondContact CD2-O 3.47Å; L97-Q112 HydrophobicContact CD2-CB 4.42Å; L97-V123 HydrophobicContact CD2-CG2 4.38Å; L97-I163 HydrophobicContact CB-CD1 4.25Å; L97-I163 HydrophobicContact CD1-CD1 3.7Å; L97-I163 HydrophobicContact CD1-CG1 4.31Å |
| 98 | L | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.6 | 167.7 | -54.4 | 173.1 | 0 | 0 | 0 | 109.1 | F39 I51 L89 K90 H91 V110 W111 I113 I120 | F39-L98 HydrophobicContact CD1-CD1 3.95Å; F39-L98 HydrophobicContact CD1-CD2 4.49Å; F39-L98 HydrophobicContact CD2-CD2 3.97Å; F39-L98 HydrophobicContact CE1-CD1 3.76Å; F39-L98 HydrophobicContact CE1-CD2 4.22Å; F39-L98 HydrophobicContact CE2-CD2 3.67Å; F39-L98 HydrophobicContact CG-CD1 4.48Å; F39-L98 HydrophobicContact CG-CD2 4.38Å; F39-L98 HydrophobicContact CZ-CD1 4.18Å; F39-L98 HydrophobicContact CZ-CD2 3.83Å; I51-L98 HydrophobicContact CG2-CD1 4.48Å; L89-L98 HydrophobicContact CD2-CD2 4.17Å; K90-L98 WeakPolarHBondContact O-CA 3.33Å; H91-L98 HydrophobicContact CB-CD2 3.86Å; L98-V110 CarbonylContact O-C 3.47Å; L98-V110 WeakPolarHBondContact O-CA 3.33Å; L98-W111 HydrophobicContact CB-CB 4.15Å; L98-W111 PolarHBondContact N-O 3.49Å; L98-W111 PolarHBondContact O-N 2.89Å; L98-I113 HydrophobicContact CD1-CD1 4.32Å; L98-I113 HydrophobicContact CD1-CG1 4.08Å; L98-I113 HydrophobicContact CD2-CD1 4.01Å; L98-I113 HydrophobicContact CG-CD1 3.98Å; L98-I113 HydrophobicContact CG-CG1 4.05Å; L98-I120 HydrophobicContact CD1-CD1 4.27Å; L98-I120 HydrophobicContact CD1-CG2 4.09Å |
| 99 | V | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127 | 170.7 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | L89 K90 V92 L108 Q109 V110 V139 I149 I163 | L89-V99 CarbonylContact C-O 3.6Å; L89-V99 VanDerWaalsContact CA-O 3.3Å; L89-V99 WeakPolarHBondContact CA-O 3.2Å; K90-V99 PolarHBondContact N-O 2.99Å; K90-V99 PolarHBondContact O-N 2.9Å; V92-V99 HydrophobicContact CG2-CG2 3.96Å; V99-L108 HydrophobicContact CG1-CB 3.85Å; V99-L108 HydrophobicContact CG1-CD2 3.66Å; V99-L108 HydrophobicContact CG1-CG 4.38Å; V99-Q109 WeakPolarHBondContact CA-O 3.22Å; V99-V110 HydrophobicContact CG2-CG2 4.42Å; V99-V139 HydrophobicContact CG1-CG2 4.28Å; V99-I149 HydrophobicContact CG1-CG2 4.26Å; V99-I149 HydrophobicContact CG2-CD1 3.74Å; V99-I149 HydrophobicContact CG2-CG1 4.19Å; V99-I163 HydrophobicContact CG2-CD1 4.08Å |
| 100 | T | 98.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.7 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 111.8 | I51 V86 D88 L89 L108 Q109 W111 | I51-T100 HydrophobicContact CD1-CG2 4.2Å; V86-T100 HydrophobicContact CG1-CG2 3.9Å; D88-T100 CarbonylContact O-C 3.57Å; D88-T100 VanDerWaalsContact O-CA 3.27Å; D88-T100 WeakPolarHBondContact O-CA 3.32Å; L89-T100 HydrophobicContact CB-CG2 4.13Å; L89-T100 HydrophobicContact CD1-CG2 3.79Å; L89-T100 HydrophobicContact CG-CG2 3.8Å; T100-L108 WeakPolarHBondContact O-CA 3.29Å; T100-Q109 PolarHBondContact N-O 3.25Å; T100-Q109 PolarHBondContact O-N 2.8Å; T100-Q109 PolarHBondContact OG1-O 3.22Å; T100-W111 VanDerWaalsContact CG2-NE1 3.28Å; T100-W111 PolarHBondContact OG1-NE1 2.91Å |
| 101 | T | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 162.3 | 169.5 | 81.2 | 0 | 0 | 0 | 0 | 110.8 | F87 D88 L108 P137 V139 | F87-T101 PolarHBondContact N-O 2.71Å; D88-T101 WeakPolarHBondContact CB-OG1 3.23Å; D88-T101 PolarHBondContact N-O 2.76Å; D88-T101 PolarHBondContact O-N 3.25Å; T101-L108 HydrophobicContact CG2-CB 4.35Å; T101-L108 HydrophobicContact CG2-CD2 3.6Å; T101-L108 HydrophobicContact CG2-CG 3.69Å; T101-P137 WeakPolarHBondContact CB-O 3.32Å; T101-P137 HydrophobicContact CG2-CB 4.44Å; T101-P137 PolarHBondContact OG1-O 2.95Å; T101-V139 HydrophobicContact CG2-CB 3.84Å; T101-V139 HydrophobicContact CG2-CG1 3.71Å |
| 102 | G | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | -154.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R84 S85 P104 G105 W136 | R84-G102 PolarHBondContact NH2-O 2.9Å; S85-G102 WeakPolarHBondContact O-CA 3.47Å; G102-P104 CarbonylContact O-C 3.51Å; G102-G105 VanDerWaalsContact O-CA 3.32Å; G102-G105 WeakPolarHBondContact O-CA 3.3Å; G102-G105 PolarHBondContact O-N 2.97Å; G102-W136 WeakPolarHBondContact O-CB 3.41Å |
| 103 | L | 92.3 | Very high | 94.4 | Very high | 52 Ų | 52 | 33.6 Ų | 33.6 | 27% | 0.272 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 144.1 | -177.4 | -70 | 173.7 | 0 | 0 | 0 | 112.9 | R84 S85 F87 K133 W136 | R84-L103 WeakPolarHBondContact CB-O 3.38Å; R84-L103 PolarHBondContact NE-O 2.87Å; S85-L103 PolarHBondContact O-N 2.81Å; F87-L103 HydrophobicContact CD2-CG 4.25Å; F87-L103 HydrophobicContact CE2-CB 4.24Å; F87-L103 HydrophobicContact CE2-CD1 3.51Å; F87-L103 HydrophobicContact CE2-CG 3.49Å; F87-L103 VanDerWaalsContact CE2-CG 3.49Å; F87-L103 HydrophobicContact CZ-CD1 3.91Å; F87-L103 HydrophobicContact CZ-CG 4.22Å; L103-K133 VanDerWaalsContact CD2-O 3.27Å; L103-K133 WeakPolarHBondContact CD2-O 3.26Å; L103-W136 HydrophobicContact CD2-CB 4.5Å |
| 104 | P | 89.1 | Confident | 94.6 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 38% | 0.383 | 17% | 0.167 | S | C | . | . | S | Bend | cis | -68.3 | 138.2 | -10.2 | 29.1 | -36.4 | 0 | 0 | 0 | 112.7 | R84 G102 C106 | R84-P104 VanDerWaalsContact CZ-O 3.26Å; R84-P104 PolarHBondContact NH2-O 3.44Å; G102-P104 CarbonylContact O-C 3.51Å; P104-C106 PolarHBondContact O-N 2.96Å |
| 105 | G | 87.3 | Confident | 94.7 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 24.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | G102 K133 L135 | G102-G105 VanDerWaalsContact O-CA 3.32Å; G102-G105 WeakPolarHBondContact O-CA 3.3Å; G102-G105 PolarHBondContact O-N 2.97Å; G105-K133 PolarHBondContact N-O 3.05Å; G105-L135 VanDerWaalsContact CA-O 3.31Å; G105-L135 WeakPolarHBondContact CA-O 3.36Å |
| 106 | C | 88.7 | Confident | 94.6 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 28% | 0.277 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13.2 | -173.3 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | P104 V128 | P104-C106 PolarHBondContact O-N 2.96Å; C106-V128 WeakPolarHBondContact O-CA 3.19Å; C106-V128 PolarHBondContact O-N 3.04Å |
| 107 | Y | 92.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 35.1 Ų | 35.1 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 156.7 | 174 | 63.1 | -90.2 | 0 | 0 | 0 | 111.5 | R84 Q109 T125 I126 | R84-Y107 WeakPolarHBondContact CD-OH 3.23Å; R84-Y107 PolarHBondContact NH1-O 2.57Å; Y107-Q109 HydrophobicContact CE2-CB 4.24Å; Y107-T125 HydrophobicContact CD2-CG2 3.61Å; Y107-T125 HydrophobicContact CE2-CG2 3.83Å; Y107-T125 HydrophobicContact CG-CG2 4.35Å; Y107-I126 CarbonylContact C-O 3.52Å; Y107-I126 VanDerWaalsContact CA-O 3.23Å; Y107-I126 WeakPolarHBondContact CA-O 3.48Å; Y107-I126 WeakPolarHBondContact CB-O 3.37Å |
| 108 | L | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 139.7 | 163.5 | -55.8 | 85.3 | 0 | 0 | 0 | 108.3 | V99 T100 T101 T125 I126 V128 V139 I149 H151 | V99-L108 HydrophobicContact CG1-CB 3.85Å; V99-L108 HydrophobicContact CG1-CD2 3.66Å; V99-L108 HydrophobicContact CG1-CG 4.38Å; T100-L108 WeakPolarHBondContact O-CA 3.29Å; T101-L108 HydrophobicContact CG2-CB 4.35Å; T101-L108 HydrophobicContact CG2-CD2 3.6Å; T101-L108 HydrophobicContact CG2-CG 3.69Å; L108-T125 CarbonylContact O-C 3.56Å; L108-T125 VanDerWaalsContact O-CA 3.28Å; L108-T125 WeakPolarHBondContact O-CA 3.44Å; L108-I126 HydrophobicContact CB-CB 4.25Å; L108-I126 HydrophobicContact CD1-CB 4.18Å; L108-I126 HydrophobicContact CD1-CG2 4.24Å; L108-I126 PolarHBondContact N-O 3.05Å; L108-I126 PolarHBondContact O-N 3.45Å; L108-V128 HydrophobicContact CD1-CG2 3.24Å; L108-V128 HydrophobicContact CG-CG2 4.36Å; L108-V139 HydrophobicContact CD2-CB 4.2Å; L108-V139 HydrophobicContact CD2-CG2 3.84Å; L108-I149 HydrophobicContact CD2-CG2 3.93Å; L108-H151 HydrophobicContact CD1-CB 4.29Å; L108-H151 WeakPolarHBondContact CD1-ND1 3.48Å; L108-H151 HydrophobicContact CD2-CB 3.8Å |
| 109 | Q | 97.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.5 | 175.7 | -177.3 | 67.5 | 60.8 | 0 | 0 | 108.8 | V99 T100 Y107 W111 A122 S124 | V99-Q109 WeakPolarHBondContact CA-O 3.22Å; T100-Q109 PolarHBondContact N-O 3.25Å; T100-Q109 PolarHBondContact O-N 2.8Å; T100-Q109 PolarHBondContact OG1-O 3.22Å; Y107-Q109 HydrophobicContact CE2-CB 4.24Å; Q109-W111 HydrophobicContact CB-CZ2 4.2Å; Q109-W111 HydrophobicContact CG-CD2 4.08Å; Q109-W111 HydrophobicContact CG-CH2 4.2Å; Q109-W111 HydrophobicContact CG-CZ2 3.42Å; Q109-W111 VanDerWaalsContact CG-CZ2 3.42Å; Q109-W111 PolarHBondContact O-NE1 2.72Å; Q109-A122 HydrophobicContact CG-CB 4.33Å; Q109-S124 PolarHBondContact NE2-O 2.72Å |
| 110 | V | 97.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.9 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | L97 L98 V99 V123 S124 I126 I163 | L97-V110 HydrophobicContact CD2-CG1 4.13Å; L98-V110 CarbonylContact O-C 3.47Å; L98-V110 WeakPolarHBondContact O-CA 3.33Å; V99-V110 HydrophobicContact CG2-CG2 4.42Å; V110-V123 HydrophobicContact CB-CG2 4.26Å; V110-V123 HydrophobicContact CG1-CG2 3.9Å; V110-V123 PolarHBondContact O-N 3.01Å; V110-S124 WeakPolarHBondContact CB-O 3.49Å; V110-S124 WeakPolarHBondContact CB-OG 3.43Å; V110-S124 WeakPolarHBondContact CG2-OG 3.42Å; V110-S124 PolarHBondContact N-O 3.47Å; V110-S124 PolarHBondContact O-N 3.24Å; V110-I126 HydrophobicContact CG2-CD1 4.04Å; V110-I126 HydrophobicContact CG2-CG1 4.11Å; V110-I163 HydrophobicContact CG1-CD1 4.08Å |
| 111 | W | 98.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.2 | -179.7 | -47.8 | 78.2 | 0 | 0 | 0 | 110.7 | I51 L97 L98 T100 Q109 I120 E121 A122 | I51-W111 HydrophobicContact CD1-CD2 3.92Å; I51-W111 VanDerWaalsContact CD1-CE2 3.47Å; I51-W111 HydrophobicContact CD1-CE3 4.2Å; I51-W111 HydrophobicContact CD1-CH2 3.75Å; I51-W111 HydrophobicContact CD1-CZ2 3.38Å; I51-W111 HydrophobicContact CD1-CZ3 4.12Å; L97-W111 CarbonylContact C-O 3.56Å; L97-W111 VanDerWaalsContact CA-O 3.26Å; L97-W111 WeakPolarHBondContact CA-O 3.23Å; L97-W111 WeakPolarHBondContact CD2-O 3.47Å; L98-W111 HydrophobicContact CB-CB 4.15Å; L98-W111 PolarHBondContact N-O 3.49Å; L98-W111 PolarHBondContact O-N 2.89Å; T100-W111 VanDerWaalsContact CG2-NE1 3.28Å; T100-W111 PolarHBondContact OG1-NE1 2.91Å; Q109-W111 HydrophobicContact CB-CZ2 4.2Å; Q109-W111 HydrophobicContact CG-CD2 4.08Å; Q109-W111 HydrophobicContact CG-CH2 4.2Å; Q109-W111 HydrophobicContact CG-CZ2 3.42Å; Q109-W111 VanDerWaalsContact CG-CZ2 3.42Å; Q109-W111 PolarHBondContact O-NE1 2.72Å; W111-I120 HydrophobicContact CB-CG2 3.76Å; W111-I120 HydrophobicContact CD2-CG2 4.42Å; W111-I120 HydrophobicContact CE3-CG2 4.18Å; W111-I120 HydrophobicContact CG-CG2 4.29Å; W111-E121 CarbonylContact C-O 3.45Å; W111-E121 WeakPolarHBondContact CA-O 3.08Å; W111-A122 HydrophobicContact CD2-CB 4.42Å; W111-A122 HydrophobicContact CE3-CB 3.83Å; W111-A122 HydrophobicContact CH2-CB 4.24Å; W111-A122 HydrophobicContact CZ3-CB 3.73Å |
| 112 | Q | 97.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128 | 173.4 | 177.9 | 65.5 | 52.2 | 0 | 0 | 108.9 | L97 I120 E121 V123 | L97-Q112 HydrophobicContact CD2-CB 4.42Å; Q112-I120 WeakPolarHBondContact O-CA 3.45Å; Q112-E121 HydrophobicContact CB-CG 4.21Å; Q112-E121 PolarHBondContact N-O 2.89Å; Q112-E121 PolarHBondContact O-N 2.83Å; Q112-V123 HydrophobicContact CB-CB 4.47Å; Q112-V123 HydrophobicContact CB-CG1 3.43Å; Q112-V123 VanDerWaalsContact CB-CG1 3.43Å; Q112-V123 HydrophobicContact CB-CG2 4.22Å; Q112-V123 HydrophobicContact CG-CG1 4.45Å |
| 113 | I | 97.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.3 | 170.5 | -55 | 158.1 | 0 | 0 | 0 | 107.5 | F39 H78 R96 L98 | F39-I113 HydrophobicContact CE1-CD1 4.18Å; F39-I113 HydrophobicContact CE2-CD1 4.39Å; F39-I113 HydrophobicContact CZ-CD1 3.54Å; F39-I113 HydrophobicContact CZ-CG1 4.33Å; H78-I113 HydrophobicContact CB-CG2 4.5Å; R96-I113 HydrophobicContact CB-CB 4.23Å; R96-I113 WeakPolarHBondContact O-CB 3.48Å; R96-I113 WeakPolarHBondContact O-CG1 3.27Å; R96-I113 PolarHBondContact O-N 2.88Å; L98-I113 HydrophobicContact CD1-CD1 4.32Å; L98-I113 HydrophobicContact CD1-CG1 4.08Å; L98-I113 HydrophobicContact CD2-CD1 4.01Å; L98-I113 HydrophobicContact CG-CD1 3.98Å; L98-I113 HydrophobicContact CG-CG1 4.05Å |
| 114 | G | 94.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | trans | -53.2 | 142.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R96 N117 V119 | R96-G114 PolarHBondContact NH1-O 3.19Å; R96-G114 VanDerWaalsContact NH1-O 3.17Å; G114-N117 VanDerWaalsContact CA-OD1 3.31Å; G114-N117 WeakPolarHBondContact CA-OD1 3.47Å; G114-V119 PolarHBondContact N-O 2.84Å | ||
| 115 | E | 91 | Very high | 95.1 | Very high | 133 Ų | 133 | 53 Ų | 53 | 62% | 0.621 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -87.2 | -51 | 171 | 176.9 | 144.7 | -123.5 | 0 | 0 | 111.4 | R96 | R96-E115 IonicContact CZ-OE1 3.12Å; R96-E115 IonicContact NE-OE1 3.54Å; R96-E115 IonicContact NH2-OE1 3.52Å; R96-E115 PolarHBondContact NH2-OE1 2.74Å |
| 116 | D | 91.4 | Very high | 95.4 | Very high | 162 Ų | 162 | 53.2 Ų | 53.2 | 87% | 0.866 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -110.8 | 13.9 | -176.8 | -60.1 | -44.9 | 0 | 0 | 0 | 112.8 | ||
| 117 | N | 92.4 | Very high | 95.6 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -141.4 | 162.6 | 177.2 | 69.1 | 50 | 0 | 0 | 0 | 110.6 | H78 G114 V119 | H78-N117 PolarHBondContact CD2-O 2.81Å; G114-N117 VanDerWaalsContact CA-OD1 3.31Å; G114-N117 WeakPolarHBondContact CA-OD1 3.47Å; N117-V119 PolarHBondContact O-N 3.01Å; N117-V119 WeakPolarHBondContact OD1-CA 3.41Å; N117-V119 VanDerWaalsContact OD1-CB 3.31Å; N117-V119 WeakPolarHBondContact OD1-CB 3.26Å; N117-V119 PolarHBondContact OD1-N 3.15Å; N117-V119 PolarHBondContact OD1-O 2.74Å |
| 118 | D | 94.8 | Very high | 95.5 | Very high | 121 Ų | 121 | 54.4 Ų | 54.4 | 65% | 0.647 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -90.3 | 23.8 | -177.9 | -56.4 | -27.9 | 0 | 0 | 0 | 111.9 | R77 H78 G79 | R77-D118 WeakPolarHBondContact O-CB 3.37Å; H78-D118 CarbonylContact C-O 3.55Å; H78-D118 WeakPolarHBondContact CA-O 3.37Å; G79-D118 PolarHBondContact N-O 2.8Å |
| 119 | V | 97.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -104.5 | 139.4 | -171.9 | -175 | 0 | 0 | 0 | 0 | 111.2 | G79 G114 N117 E121 | G79-V119 CarbonylContact O-C 3.58Å; G79-V119 WeakPolarHBondContact O-CA 3.24Å; G114-V119 PolarHBondContact N-O 2.84Å; N117-V119 PolarHBondContact O-N 3.01Å; N117-V119 WeakPolarHBondContact OD1-CA 3.41Å; N117-V119 VanDerWaalsContact OD1-CB 3.31Å; N117-V119 WeakPolarHBondContact OD1-CB 3.26Å; N117-V119 PolarHBondContact OD1-N 3.15Å; N117-V119 PolarHBondContact OD1-O 2.74Å; V119-E121 HydrophobicContact CG1-CB 4.35Å |
| 120 | I | 98.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.9 | 164.2 | -57.5 | 174.5 | 0 | 0 | 0 | 107 | F39 I51 H78 G79 G80 L98 W111 Q112 | F39-I120 HydrophobicContact CD1-CD1 4.42Å; F39-I120 HydrophobicContact CE1-CD1 4.13Å; I51-I120 HydrophobicContact CG2-CD1 4.04Å; H78-I120 HydrophobicContact CB-CD1 3.99Å; H78-I120 HydrophobicContact CB-CG1 3.69Å; G79-I120 PolarHBondContact O-N 3.38Å; G80-I120 WeakPolarHBondContact CA-O 3.47Å; L98-I120 HydrophobicContact CD1-CD1 4.27Å; L98-I120 HydrophobicContact CD1-CG2 4.09Å; W111-I120 HydrophobicContact CB-CG2 3.76Å; W111-I120 HydrophobicContact CD2-CG2 4.42Å; W111-I120 HydrophobicContact CE3-CG2 4.18Å; W111-I120 HydrophobicContact CG-CG2 4.29Å; Q112-I120 WeakPolarHBondContact O-CA 3.45Å |
| 121 | E | 97.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 74.7 Ų | 74.7 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 145.2 | -174.9 | 67.1 | -179.1 | 167.6 | 0 | 0 | 112.6 | W111 Q112 V119 V123 | W111-E121 CarbonylContact C-O 3.45Å; W111-E121 WeakPolarHBondContact CA-O 3.08Å; Q112-E121 HydrophobicContact CB-CG 4.21Å; Q112-E121 PolarHBondContact N-O 2.89Å; Q112-E121 PolarHBondContact O-N 2.83Å; V119-E121 HydrophobicContact CG1-CB 4.35Å; E121-V123 HydrophobicContact CG-CG1 4.14Å |
| 122 | A | 97.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 77.6 Ų | 77.6 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q109 W111 | Q109-A122 HydrophobicContact CG-CB 4.33Å; W111-A122 HydrophobicContact CD2-CB 4.42Å; W111-A122 HydrophobicContact CE3-CB 3.83Å; W111-A122 HydrophobicContact CH2-CB 4.24Å; W111-A122 HydrophobicContact CZ3-CB 3.73Å |
| 123 | V | 96.7 | Very high | 90.2 | Very high | 74 Ų | 74 | 81.6 Ų | 81.6 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -31.3 | -174.7 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | L97 V110 Q112 E121 | L97-V123 HydrophobicContact CD2-CG2 4.38Å; V110-V123 HydrophobicContact CB-CG2 4.26Å; V110-V123 HydrophobicContact CG1-CG2 3.9Å; V110-V123 PolarHBondContact O-N 3.01Å; Q112-V123 HydrophobicContact CB-CB 4.47Å; Q112-V123 HydrophobicContact CB-CG1 3.43Å; Q112-V123 VanDerWaalsContact CB-CG1 3.43Å; Q112-V123 HydrophobicContact CB-CG2 4.22Å; Q112-V123 HydrophobicContact CG-CG1 4.45Å; E121-V123 HydrophobicContact CG-CG1 4.14Å |
| 124 | S | 95.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 84.9 Ų | 84.9 | 25% | 0.252 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 169.9 | 178.4 | 70.5 | 0 | 0 | 0 | 0 | 112 | Q109 V110 | Q109-S124 PolarHBondContact NE2-O 2.72Å; V110-S124 WeakPolarHBondContact CB-O 3.49Å; V110-S124 WeakPolarHBondContact CB-OG 3.43Å; V110-S124 WeakPolarHBondContact CG2-OG 3.42Å; V110-S124 PolarHBondContact N-O 3.47Å; V110-S124 PolarHBondContact O-N 3.24Å |
| 125 | T | 95.9 | Very high | 89.2 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 36% | 0.356 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.2 | 177.3 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | Y107 L108 | Y107-T125 HydrophobicContact CD2-CG2 3.61Å; Y107-T125 HydrophobicContact CE2-CG2 3.83Å; Y107-T125 HydrophobicContact CG-CG2 4.35Å; L108-T125 CarbonylContact O-C 3.56Å; L108-T125 VanDerWaalsContact O-CA 3.28Å; L108-T125 WeakPolarHBondContact O-CA 3.44Å |
| 126 | I | 95.3 | Very high | 89.4 | Confident | 6 Ų | 6 | 81 Ų | 81 | 3% | 0.031 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.6 | 173.1 | -57.7 | 170.8 | 0 | 0 | 0 | 108.4 | Y107 L108 V110 V128 I149 V161 | Y107-I126 CarbonylContact C-O 3.52Å; Y107-I126 VanDerWaalsContact CA-O 3.23Å; Y107-I126 WeakPolarHBondContact CA-O 3.48Å; Y107-I126 WeakPolarHBondContact CB-O 3.37Å; L108-I126 HydrophobicContact CB-CB 4.25Å; L108-I126 HydrophobicContact CD1-CB 4.18Å; L108-I126 HydrophobicContact CD1-CG2 4.24Å; L108-I126 PolarHBondContact N-O 3.05Å; L108-I126 PolarHBondContact O-N 3.45Å; V110-I126 HydrophobicContact CG2-CD1 4.04Å; V110-I126 HydrophobicContact CG2-CG1 4.11Å; I126-V128 PolarHBondContact O-N 3.45Å; I126-I149 HydrophobicContact CD1-CB 4.39Å; I126-I149 HydrophobicContact CD1-CG1 4.18Å; I126-V161 HydrophobicContact CG2-CB 4.31Å; I126-V161 HydrophobicContact CG2-CG1 4.14Å; I126-V161 HydrophobicContact CG2-CG2 4.22Å |
| 127 | D | 92.2 | Very high | 89.5 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.3 | -176.1 | -78.4 | -26.7 | 0 | 0 | 0 | 112.9 | ||
| 128 | V | 89.8 | Confident | 89.7 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | trans | -99.8 | 105.9 | 168.3 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | C106 L108 I126 D130 P137 | C106-V128 WeakPolarHBondContact O-CA 3.19Å; C106-V128 PolarHBondContact O-N 3.04Å; L108-V128 HydrophobicContact CD1-CG2 3.24Å; L108-V128 HydrophobicContact CG-CG2 4.36Å; I126-V128 PolarHBondContact O-N 3.45Å; V128-D130 HydrophobicContact CG1-CB 3.95Å; V128-D130 PolarHBondContact O-N 2.9Å; V128-P137 HydrophobicContact CB-CG 4.22Å; V128-P137 HydrophobicContact CG1-CG 4Å; V128-P137 HydrophobicContact CG2-CB 4.42Å; V128-P137 HydrophobicContact CG2-CG 3.54Å | ||
| 129 | Q | 77.5 | Confident | 89.9 | Confident | 166 Ų | 166 | 65.2 Ų | 65.2 | 78% | 0.776 | 33% | 0.332 | S | S | * | . | trans | -74.4 | 65.6 | 172.4 | -63.2 | -176.4 | -0.1 | 0 | 0 | 110.8 | ||||
| 130 | D | 74.1 | Confident | 89.8 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | trans | -117.2 | 146 | 170.2 | -157.8 | -22.1 | 0 | 0 | 0 | 109.9 | V128 E132 T153 | V128-D130 HydrophobicContact CG1-CB 3.95Å; V128-D130 PolarHBondContact O-N 2.9Å; D130-E132 PolarHBondContact OD1-N 3Å; D130-T153 WeakPolarHBondContact OD2-CB 3.27Å; D130-T153 WeakPolarHBondContact OD2-CG2 3.36Å; D130-T153 PolarHBondContact OD2-OG1 2.83Å | ||
| 131 | R | 68.7 | Low | 89.7 | Confident | 248 Ų | 248 | 63 Ų | 63 | 94% | 0.936 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -81.4 | -26.1 | -178.2 | -63.1 | -174.6 | 179.8 | -138.2 | 0.5 | 111.8 | ||
| 132 | E | 78.2 | Confident | 89.5 | Confident | 73 Ų | 73 | 58.3 Ų | 58.3 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | trans | -100.3 | 110.4 | -172.6 | -172.8 | 170.3 | -179.3 | 0 | 0 | 112.2 | D130 S134 L135 R154 | D130-E132 PolarHBondContact OD1-N 3Å; E132-S134 VanDerWaalsContact C-N 3.34Å; E132-S134 WeakPolarHBondContact CG-OG 3.37Å; E132-S134 PolarHBondContact OE1-OG 3.44Å; E132-L135 HydrophobicContact CG-CD1 4.46Å; E132-L135 HydrophobicContact CG-CG 4.28Å; E132-R154 IonicContact OE2-CZ 3.73Å; E132-R154 IonicContact OE2-NH2 3.74Å; E132-R154 PolarHBondContact OE2-NH2 2.86Å | ||
| 133 | K | 76.6 | Confident | 88.8 | Confident | 143 Ų | 143 | 59.3 Ų | 59.3 | 62% | 0.622 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12.1 | -177.9 | -64.4 | -176.2 | 178.3 | -177.2 | 0 | 114.4 | L103 G105 L135 | L103-K133 VanDerWaalsContact CD2-O 3.27Å; L103-K133 WeakPolarHBondContact CD2-O 3.26Å; G105-K133 PolarHBondContact N-O 3.05Å; K133-L135 VanDerWaalsContact C-N 3.32Å |
| 134 | S | 83.4 | Confident | 88 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -14.1 | 179.1 | 33.5 | 0 | 0 | 0 | 0 | 113.7 | E132 | E132-S134 VanDerWaalsContact C-N 3.34Å; E132-S134 WeakPolarHBondContact CG-OG 3.37Å; E132-S134 PolarHBondContact OE1-OG 3.44Å |
| 135 | L | 89.3 | Confident | 86.8 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 17% | 0.173 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -104.5 | 163.5 | 173.2 | -59.9 | 176.8 | 0 | 0 | 0 | 109.6 | G105 E132 K133 T153 | G105-L135 VanDerWaalsContact CA-O 3.31Å; G105-L135 WeakPolarHBondContact CA-O 3.36Å; E132-L135 HydrophobicContact CG-CD1 4.46Å; E132-L135 HydrophobicContact CG-CG 4.28Å; K133-L135 VanDerWaalsContact C-N 3.32Å; L135-T153 HydrophobicContact CB-CG2 3.3Å; L135-T153 HydrophobicContact CD1-CG2 3.81Å; L135-T153 HydrophobicContact CG-CG2 4.2Å |
| 136 | W | 93.5 | Very high | 86.2 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 10% | 0.098 | 34% | 0.336 | C | S | . | . | trans | -127.2 | 151.9 | 174.3 | 68.7 | 101.6 | 0 | 0 | 0 | 111 | F87 G102 L103 R138 E277 | F87-W136 HydrophobicContact CB-CD2 4.33Å; F87-W136 HydrophobicContact CB-CG 4.29Å; F87-W136 HydrophobicContact CB-CZ2 4.33Å; F87-W136 HydrophobicContact CD2-CB 4.32Å; F87-W136 AromaticContact CD2-CD2 3.34Å; F87-W136 HydrophobicContact CD2-CD2 3.34Å; F87-W136 AromaticContact CD2-CE2 3.53Å; F87-W136 AromaticContact CD2-CE3 3.58Å; F87-W136 HydrophobicContact CD2-CE3 3.58Å; F87-W136 AromaticContact CD2-CG 3.68Å; F87-W136 HydrophobicContact CD2-CG 3.68Å; F87-W136 HydrophobicContact CD2-CH2 4.16Å; F87-W136 AromaticContact CD2-CZ2 3.97Å; F87-W136 HydrophobicContact CD2-CZ2 3.97Å; F87-W136 AromaticContact CD2-CZ3 3.99Å; F87-W136 HydrophobicContact CD2-CZ3 3.99Å; F87-W136 AromaticContact CD2-NE1 3.95Å; F87-W136 AromaticContact CE2-CD2 3.97Å; F87-W136 HydrophobicContact CE2-CD2 3.97Å; F87-W136 AromaticContact CE2-CE3 3.69Å; F87-W136 HydrophobicContact CE2-CE3 3.69Å; F87-W136 HydrophobicContact CE2-CH2 4.27Å; F87-W136 AromaticContact CE2-CZ3 3.86Å; F87-W136 HydrophobicContact CE2-CZ3 3.86Å; F87-W136 HydrophobicContact CG-CD2 4.29Å; F87-W136 HydrophobicContact CG-CZ2 4.4Å; G102-W136 WeakPolarHBondContact O-CB 3.41Å; L103-W136 HydrophobicContact CD2-CB 4.5Å; W136-R138 VanDerWaalsContact CZ2-NH1 3.34Å; W136-E277 HydrophobicContact CH2-CB 3.86Å; W136-E277 HydrophobicContact CH2-CG 3.66Å; W136-E277 WeakPolarHBondContact CH2-OE2 3.28Å; W136-E277 HydrophobicContact CZ2-CB 4.27Å; W136-E277 HydrophobicContact CZ2-CG 4.43Å; W136-E277 WeakPolarHBondContact CZ2-OE2 3.17Å | ||
| 137 | P | 95.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -68.5 | 138.6 | 177.2 | -12.1 | 25.2 | 0 | 0 | 0 | 111.4 | T101 V128 H151 G152 | T101-P137 WeakPolarHBondContact CB-O 3.32Å; T101-P137 HydrophobicContact CG2-CB 4.44Å; T101-P137 PolarHBondContact OG1-O 2.95Å; V128-P137 HydrophobicContact CB-CG 4.22Å; V128-P137 HydrophobicContact CG1-CG 4Å; V128-P137 HydrophobicContact CG2-CB 4.42Å; V128-P137 HydrophobicContact CG2-CG 3.54Å; P137-H151 HydrophobicContact CB-CB 4.49Å; P137-G152 WeakPolarHBondContact CA-O 3.48Å | ||
| 138 | R | 96.6 | Very high | 85.8 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 9% | 0.087 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 145.4 | 157.7 | -59.6 | -52.9 | -170.8 | -103.2 | 4.4 | 109.2 | W136 H151 G152 L180 S181 L183 E277 | W136-R138 VanDerWaalsContact CZ2-NH1 3.34Å; R138-H151 WeakPolarHBondContact O-CA 3.28Å; R138-H151 WeakPolarHBondContact O-CB 3.34Å; R138-G152 PolarHBondContact N-O 2.85Å; R138-G152 PolarHBondContact O-N 3.4Å; R138-G152 VanDerWaalsContact O-N 3.11Å; R138-L180 HydrophobicContact CG-CB 4.04Å; R138-S181 PolarHBondContact NE-O 2.68Å; R138-S181 PolarHBondContact NH2-O 2.66Å; R138-L183 HydrophobicContact CB-CB 3.78Å; R138-L183 HydrophobicContact CB-CD2 4.11Å; R138-E277 IonicContact CZ-OE2 3.68Å; R138-E277 IonicContact NH1-OE2 3.15Å; R138-E277 IonicContact NH2-OE2 3.79Å; R138-E277 PolarHBondContact NH2-OE2 2.86Å |
| 139 | V | 97.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.9 | -179.9 | 63.8 | 0 | 0 | 0 | 0 | 112 | D88 K90 V99 T101 L108 I149 L150 H151 | D88-V139 HydrophobicContact CB-CG1 3.92Å; D88-V139 VanDerWaalsContact OD2-CG1 3.3Å; D88-V139 WeakPolarHBondContact OD2-CG1 3.15Å; D88-V139 PolarHBondContact OD2-N 3.08Å; K90-V139 HydrophobicContact CG-CG1 3.88Å; V99-V139 HydrophobicContact CG1-CG2 4.28Å; T101-V139 HydrophobicContact CG2-CB 3.84Å; T101-V139 HydrophobicContact CG2-CG1 3.71Å; L108-V139 HydrophobicContact CD2-CB 4.2Å; L108-V139 HydrophobicContact CD2-CG2 3.84Å; V139-I149 HydrophobicContact CG2-CG2 3.63Å; V139-L150 CarbonylContact C-O 3.59Å; V139-L150 WeakPolarHBondContact CA-O 3.19Å; V139-H151 HydrophobicContact CG2-CB 4.49Å |
| 140 | S | 96.9 | Very high | 87.1 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 162.3 | 169.2 | -162.1 | 0 | 0 | 0 | 0 | 109 | L150 V185 | S140-L150 PolarHBondContact N-O 2.74Å; S140-L150 PolarHBondContact O-N 2.9Å; S140-V185 PolarHBondContact OG-N 3.3Å |
| 141 | V | 96 | Very high | 88.2 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.9 | -171.4 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | K90 V92 I149 | K90-V141 HydrophobicContact CB-CG2 3.58Å; K90-V141 HydrophobicContact CG-CG2 4.3Å; V92-V141 HydrophobicContact CG1-CG1 4.28Å; V92-V141 HydrophobicContact CG2-CG1 4.43Å; V141-I149 HydrophobicContact CB-CD1 4.47Å; V141-I149 HydrophobicContact CG1-CD1 4.05Å; V141-I149 HydrophobicContact CG2-CD1 3.8Å |
| 142 | F | 93.6 | Very high | 89.5 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | trans | -75 | 124.6 | 170.2 | -75.2 | -79 | 0 | 0 | 0 | 110.6 | T144 G148 L150 T160 V185 D187 S188 F191 T205 | F142-T144 HydrophobicContact CB-CG2 4.37Å; F142-T144 PolarHBondContact O-N 3.03Å; F142-G148 PolarHBondContact N-O 3.11Å; F142-L150 HydrophobicContact CD2-CB 4.27Å; F142-L150 HydrophobicContact CE2-CB 3.86Å; F142-L150 HydrophobicContact CE2-CD2 4.25Å; F142-L150 HydrophobicContact CE2-CG 4.44Å; F142-L150 HydrophobicContact CZ-CD2 4.42Å; F142-T160 HydrophobicContact CD2-CG2 3.84Å; F142-T160 HydrophobicContact CE2-CG2 3.93Å; F142-V185 HydrophobicContact CD1-CB 4.35Å; F142-V185 HydrophobicContact CD1-CG1 3.44Å; F142-V185 VanDerWaalsContact CD1-CG1 3.44Å; F142-V185 HydrophobicContact CD1-CG2 3.91Å; F142-V185 HydrophobicContact CD2-CG2 4Å; F142-V185 HydrophobicContact CE1-CB 4.37Å; F142-V185 HydrophobicContact CE1-CG1 3.67Å; F142-V185 HydrophobicContact CE1-CG2 3.86Å; F142-V185 HydrophobicContact CE2-CG2 3.97Å; F142-V185 HydrophobicContact CG-CG1 4.13Å; F142-V185 HydrophobicContact CG-CG2 3.98Å; F142-V185 HydrophobicContact CZ-CG2 3.89Å; F142-D187 WeakPolarHBondContact CD1-O 3Å; F142-D187 WeakPolarHBondContact CE1-O 3.43Å; F142-S188 WeakPolarHBondContact CD1-O 3.36Å; F142-F191 HydrophobicContact CZ-CB 4.29Å; F142-F191 AromaticContact CZ-CD1 3.97Å; F142-F191 HydrophobicContact CZ-CD1 3.97Å; F142-T205 HydrophobicContact CE2-CG2 4.44Å; F142-T205 HydrophobicContact CZ-CG2 3.82Å | ||
| 143 | S | 82.1 | Confident | 90.3 | Very high | 76 Ų | 76 | 31.7 Ų | 31.7 | 53% | 0.531 | 20% | 0.2 | S | C | . | . | trans | -83.9 | 85 | 172.1 | -57 | 0 | 0 | 0 | 0 | 109.2 | P93 | P93-S143 WeakPolarHBondContact CG-OG 3.32Š| ||
| 144 | T | 79.1 | Confident | 91.1 | Very high | 57 Ų | 57 | 27.3 Ų | 27.3 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -135.4 | 167.3 | 179 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | F142 A146 | F142-T144 HydrophobicContact CB-CG2 4.37Å; F142-T144 PolarHBondContact O-N 3.03Å; T144-A146 PolarHBondContact O-N 2.77Å; T144-A146 VanDerWaalsContact O-N 3.09Å; T144-A146 PolarHBondContact OG1-O 3.19Å |
| 145 | A | 72.6 | Confident | 91.6 | Very high | 117 Ų | 117 | 23.8 Ų | 23.8 | 97% | 0.967 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -59.3 | -21.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 146 | A | 81.6 | Confident | 91.8 | Very high | 57 Ų | 57 | 24.6 Ų | 24.6 | 47% | 0.471 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -125.4 | 92.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | T144 G148 | T144-A146 PolarHBondContact O-N 2.77Å; T144-A146 VanDerWaalsContact O-N 3.09Å; T144-A146 PolarHBondContact OG1-O 3.19Å; A146-G148 PolarHBondContact O-N 3.2Å |
| 147 | P | 86.1 | Confident | 91.8 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | trans | -64.1 | 123 | -168 | 19.4 | -28.4 | 0 | 0 | 0 | 112 | V92 T95 I163 | V92-P147 HydrophobicContact CG1-CB 3.55Å; V92-P147 HydrophobicContact CG1-CG 3.69Å; T95-P147 HydrophobicContact CG2-CG 4.42Å; P147-I163 HydrophobicContact CG-CG2 3.84Å; P147-I163 PolarHBondContact O-N 2.87Å | ||
| 148 | G | 93.7 | Very high | 91.8 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F142 A146 | F142-G148 PolarHBondContact N-O 3.11Å; A146-G148 PolarHBondContact O-N 3.2Å |
| 149 | I | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 107.9 | 174.5 | -53.1 | -54.6 | 0 | 0 | 0 | 108.8 | V92 V99 L108 I126 V139 V141 T160 V161 I163 | V92-I149 HydrophobicContact CG2-CD1 4.05Å; V99-I149 HydrophobicContact CG1-CG2 4.26Å; V99-I149 HydrophobicContact CG2-CD1 3.74Å; V99-I149 HydrophobicContact CG2-CG1 4.19Å; L108-I149 HydrophobicContact CD2-CG2 3.93Å; I126-I149 HydrophobicContact CD1-CB 4.39Å; I126-I149 HydrophobicContact CD1-CG1 4.18Å; V139-I149 HydrophobicContact CG2-CG2 3.63Å; V141-I149 HydrophobicContact CB-CD1 4.47Å; V141-I149 HydrophobicContact CG1-CD1 4.05Å; V141-I149 HydrophobicContact CG2-CD1 3.8Å; I149-T160 VanDerWaalsContact O-CA 3.31Å; I149-T160 WeakPolarHBondContact O-CA 3.34Å; I149-V161 PolarHBondContact N-O 3.02Å; I149-V161 PolarHBondContact O-N 3.04Å; I149-I163 HydrophobicContact CD1-CD1 4.18Å; I149-I163 HydrophobicContact CG1-CB 4.16Å; I149-I163 HydrophobicContact CG1-CD1 4.28Å; I149-I163 HydrophobicContact CG1-CG1 4.37Å |
| 150 | L | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.9 | 173.1 | 176.4 | 63.2 | 0 | 0 | 0 | 108.6 | V139 S140 F142 L158 K159 L183 V185 F191 | V139-L150 CarbonylContact C-O 3.59Å; V139-L150 WeakPolarHBondContact CA-O 3.19Å; S140-L150 PolarHBondContact N-O 2.74Å; S140-L150 PolarHBondContact O-N 2.9Å; F142-L150 HydrophobicContact CD2-CB 4.27Å; F142-L150 HydrophobicContact CE2-CB 3.86Å; F142-L150 HydrophobicContact CE2-CD2 4.25Å; F142-L150 HydrophobicContact CE2-CG 4.44Å; F142-L150 HydrophobicContact CZ-CD2 4.42Å; L150-L158 HydrophobicContact CD1-CD1 3.95Å; L150-L158 HydrophobicContact CD1-CG 4.24Å; L150-K159 WeakPolarHBondContact CA-O 3.48Å; L150-L183 HydrophobicContact CD2-CD1 3.81Å; L150-L183 HydrophobicContact CD2-CD2 4.22Å; L150-L183 HydrophobicContact CD2-CG 3.85Å; L150-L183 HydrophobicContact CG-CD1 4.18Å; L150-L183 HydrophobicContact CG-CD2 3.82Å; L150-L183 HydrophobicContact CG-CG 4.04Å; L150-V185 HydrophobicContact CB-CG2 4.37Å; L150-V185 HydrophobicContact CD2-CG2 3.93Å; L150-F191 HydrophobicContact CD1-CD1 4.4Å; L150-F191 HydrophobicContact CD1-CE1 4.2Å; L150-F191 HydrophobicContact CD1-CE2 4.49Å; L150-F191 HydrophobicContact CD1-CZ 4.23Å; L150-F191 HydrophobicContact CD2-CB 3.55Å; L150-F191 HydrophobicContact CD2-CD1 3.92Å; L150-F191 HydrophobicContact CD2-CD2 3.69Å; L150-F191 HydrophobicContact CD2-CE1 4.48Å; L150-F191 HydrophobicContact CD2-CE2 4.33Å; L150-F191 HydrophobicContact CD2-CG 3.45Å; L150-F191 VanDerWaalsContact CD2-CG 3.45Å |
| 151 | H | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 154.7 | -180 | 72.6 | 95.6 | 0 | 0 | 0 | 113.6 | L108 P137 R138 V139 L158 K159 | L108-H151 HydrophobicContact CD1-CB 4.29Å; L108-H151 WeakPolarHBondContact CD1-ND1 3.48Å; L108-H151 HydrophobicContact CD2-CB 3.8Å; P137-H151 HydrophobicContact CB-CB 4.49Å; R138-H151 WeakPolarHBondContact O-CA 3.28Å; R138-H151 WeakPolarHBondContact O-CB 3.34Å; V139-H151 HydrophobicContact CG2-CB 4.49Å; H151-L158 WeakPolarHBondContact O-CA 3.48Å; H151-K159 PolarHBondContact N-O 2.74Å; H151-K159 PolarHBondContact O-N 2.9Å |
| 152 | G | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 145.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | P137 R138 L180 | P137-G152 WeakPolarHBondContact CA-O 3.48Å; R138-G152 PolarHBondContact N-O 2.85Å; R138-G152 PolarHBondContact O-N 3.4Å; R138-G152 VanDerWaalsContact O-N 3.11Å; G152-L180 WeakPolarHBondContact O-CD1 3.33Å |
| 153 | T | 94.9 | Very high | 91.5 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -87.6 | -35.9 | 168.9 | -47.9 | 0 | 0 | 0 | 0 | 111 | D130 L135 L180 | D130-T153 WeakPolarHBondContact OD2-CB 3.27Å; D130-T153 WeakPolarHBondContact OD2-CG2 3.36Å; D130-T153 PolarHBondContact OD2-OG1 2.83Å; L135-T153 HydrophobicContact CB-CG2 3.3Å; L135-T153 HydrophobicContact CD1-CG2 3.81Å; L135-T153 HydrophobicContact CG-CG2 4.2Å; T153-L180 PolarHBondContact O-N 2.99Å |
| 154 | R | 94.6 | Very high | 91.8 | Very high | 51 Ų | 51 | 28.9 Ų | 28.9 | 19% | 0.192 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -133.4 | 162.5 | -178.8 | -61.2 | 176.5 | -179.3 | -77.7 | -2.1 | 109.6 | E132 S156 G157 L158 S177 E178 S179 | E132-R154 IonicContact OE2-CZ 3.73Å; E132-R154 IonicContact OE2-NH2 3.74Å; E132-R154 PolarHBondContact OE2-NH2 2.86Å; R154-S156 VanDerWaalsContact C-N 3.31Å; R154-S156 PolarHBondContact O-N 2.64Å; R154-G157 PolarHBondContact O-N 3.4Å; R154-L158 PolarHBondContact O-N 3.49Å; R154-S177 WeakPolarHBondContact CD-O 3.48Å; R154-S177 PolarHBondContact NH1-O 3.47Å; R154-E178 CarbonylContact C-O 3.59Å; R154-E178 WeakPolarHBondContact CA-O 3.3Å; R154-E178 WeakPolarHBondContact CB-O 3.39Å; R154-S179 PolarHBondContact NH1-OG 2.79Å; R154-S179 VanDerWaalsContact NH1-OG 3.07Å |
| 155 | L | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57.1 | -42.3 | 177.1 | -72 | 178.2 | 0 | 0 | 0 | 112.9 | G157 L158 S172 T174 D176 E178 L180 F193 W209 | L155-G157 PolarHBondContact O-N 3.17Å; L155-L158 VanDerWaalsContact O-CB 3.28Å; L155-L158 WeakPolarHBondContact O-CB 3.3Å; L155-L158 PolarHBondContact O-N 3.16Å; L155-S172 WeakPolarHBondContact O-CB 3.23Å; L155-S172 PolarHBondContact O-OG 3.42Å; L155-T174 HydrophobicContact CB-CG2 4.12Å; L155-D176 HydrophobicContact CB-CB 4.02Å; L155-D176 HydrophobicContact CD1-CB 4.33Å; L155-E178 HydrophobicContact CD1-CB 3.97Å; L155-E178 HydrophobicContact CG-CB 4.37Å; L155-E178 PolarHBondContact N-O 2.95Å; L155-L180 HydrophobicContact CD2-CD2 3.68Å; L155-L180 HydrophobicContact CG-CD2 4.24Å; L155-F193 HydrophobicContact CD1-CE2 4.06Å; L155-F193 HydrophobicContact CD1-CZ 4.35Å; L155-F193 HydrophobicContact CD2-CD1 4.15Å; L155-F193 HydrophobicContact CD2-CD2 3.6Å; L155-F193 HydrophobicContact CD2-CE1 4.06Å; L155-F193 HydrophobicContact CD2-CE2 3.53Å; L155-F193 HydrophobicContact CD2-CG 3.92Å; L155-F193 HydrophobicContact CD2-CZ 3.75Å; L155-F193 HydrophobicContact CG-CE2 4.42Å; L155-W209 HydrophobicContact CD2-CH2 4.27Å; L155-W209 HydrophobicContact CD2-CZ2 4.36Å |
| 156 | S | 93.4 | Very high | 93.2 | Very high | 51 Ų | 51 | 28.3 Ų | 28.3 | 36% | 0.357 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -62.9 | -26 | 175.5 | 43.8 | 0 | 0 | 0 | 0 | 114.5 | R154 T174 D176 | R154-S156 VanDerWaalsContact C-N 3.31Å; R154-S156 PolarHBondContact O-N 2.64Å; S156-T174 VanDerWaalsContact CA-O 3.26Å; S156-T174 WeakPolarHBondContact CA-O 2.96Å; S156-T174 WeakPolarHBondContact CB-O 3.01Å; S156-D176 WeakPolarHBondContact CA-O 3.33Å; S156-D176 WeakPolarHBondContact CB-O 3.37Å; S156-D176 PolarHBondContact N-O 3.23Å; S156-D176 PolarHBondContact OG-O 2.81Å |
| 157 | G | 93.2 | Very high | 93.8 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 24% | 0.237 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -93.1 | -2.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R154 L155 K159 | R154-G157 PolarHBondContact O-N 3.4Å; L155-G157 PolarHBondContact O-N 3.17Å; G157-K159 PolarHBondContact O-N 2.88Å |
| 158 | L | 95.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -70.8 | 124.9 | -173.2 | -171.9 | 72.2 | 0 | 0 | 0 | 111.6 | L150 H151 R154 L155 S172 L180 L183 F191 W209 | L150-L158 HydrophobicContact CD1-CD1 3.95Å; L150-L158 HydrophobicContact CD1-CG 4.24Å; H151-L158 WeakPolarHBondContact O-CA 3.48Å; R154-L158 PolarHBondContact O-N 3.49Å; L155-L158 VanDerWaalsContact O-CB 3.28Å; L155-L158 WeakPolarHBondContact O-CB 3.3Å; L155-L158 PolarHBondContact O-N 3.16Å; L158-S172 PolarHBondContact O-N 2.96Å; L158-S172 PolarHBondContact O-OG 2.79Å; L158-L180 HydrophobicContact CD1-CD1 3.84Å; L158-L183 HydrophobicContact CD1-CD1 3.8Å; L158-L183 HydrophobicContact CD1-CD2 3.83Å; L158-L183 HydrophobicContact CD1-CG 4.49Å; L158-F191 HydrophobicContact CD2-CE2 3.56Å; L158-F191 HydrophobicContact CD2-CZ 3.65Å; L158-W209 HydrophobicContact CD2-CH2 3.74Å; L158-W209 HydrophobicContact CD2-CZ3 3.76Å | ||
| 159 | K | 95.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 160.8 | -177.8 | 62.5 | -178.2 | 122.3 | 171.5 | 0 | 111.9 | L150 H151 G157 V161 I168 Y170 | L150-K159 WeakPolarHBondContact CA-O 3.48Å; H151-K159 PolarHBondContact N-O 2.74Å; H151-K159 PolarHBondContact O-N 2.9Å; G157-K159 PolarHBondContact O-N 2.88Å; K159-V161 HydrophobicContact CD-CG2 4.14Å; K159-V161 HydrophobicContact CG-CG2 4.32Å; K159-I168 HydrophobicContact CB-CG2 4.44Å; K159-I168 HydrophobicContact CD-CD1 4.4Å; K159-I168 HydrophobicContact CD-CG1 4.49Å; K159-Y170 CarbonylContact C-O 3.53Å; K159-Y170 WeakPolarHBondContact CA-O 3.3Å; K159-Y170 WeakPolarHBondContact CB-O 3.19Å |
| 160 | T | 96.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.4 | 167.4 | -52.3 | 0 | 0 | 0 | 0 | 109.1 | F142 I149 I168 T169 Y170 | F142-T160 HydrophobicContact CD2-CG2 3.84Å; F142-T160 HydrophobicContact CE2-CG2 3.93Å; I149-T160 VanDerWaalsContact O-CA 3.31Å; I149-T160 WeakPolarHBondContact O-CA 3.34Å; T160-I168 CarbonylContact O-C 3.58Å; T160-I168 WeakPolarHBondContact O-CA 3.22Å; T160-T169 WeakPolarHBondContact CB-OG1 3.1Å; T160-T169 WeakPolarHBondContact CG2-OG1 3.34Å; T160-T169 PolarHBondContact O-N 3.22Å; T160-T169 PolarHBondContact O-OG1 3.07Å; T160-Y170 PolarHBondContact N-O 3.05Å; T160-Y170 PolarHBondContact O-N 3.03Å |
| 161 | V | 95.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.7 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | I126 I149 K159 I163 K167 I168 | I126-V161 HydrophobicContact CG2-CB 4.31Å; I126-V161 HydrophobicContact CG2-CG1 4.14Å; I126-V161 HydrophobicContact CG2-CG2 4.22Å; I149-V161 PolarHBondContact N-O 3.02Å; I149-V161 PolarHBondContact O-N 3.04Å; K159-V161 HydrophobicContact CD-CG2 4.14Å; K159-V161 HydrophobicContact CG-CG2 4.32Å; V161-I163 PolarHBondContact O-N 3.4Å; V161-K167 WeakPolarHBondContact CA-O 3.32Å; V161-I168 HydrophobicContact CG2-CG1 4.26Å |
| 162 | D | 93.6 | Very high | 94 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 125.4 | 170.4 | 174.6 | -103.5 | 0 | 0 | 0 | 109.7 | E164 S165 Q166 K167 T169 | D162-E164 VanDerWaalsContact C-N 3.32Å; D162-E164 PolarHBondContact O-N 3.21Å; D162-E164 PolarHBondContact OD1-N 3.5Å; D162-S165 WeakPolarHBondContact CB-OG 3.31Å; D162-S165 WeakPolarHBondContact OD1-CA 3.31Å; D162-S165 WeakPolarHBondContact OD1-CB 3.4Å; D162-S165 PolarHBondContact OD1-N 2.75Å; D162-S165 PolarHBondContact OD1-OG 2.91Å; D162-Q166 WeakPolarHBondContact O-CA 3.41Å; D162-Q166 PolarHBondContact O-N 2.81Å; D162-K167 PolarHBondContact N-O 3.44Å; D162-T169 HydrophobicContact CB-CG2 3.91Å |
| 163 | I | 91.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -33.7 | -170 | -166.8 | 166 | 0 | 0 | 0 | 113.1 | V92 L97 V99 V110 P147 I149 V161 | V92-I163 HydrophobicContact CG2-CD1 3.82Å; L97-I163 HydrophobicContact CB-CD1 4.25Å; L97-I163 HydrophobicContact CD1-CD1 3.7Å; L97-I163 HydrophobicContact CD1-CG1 4.31Å; V99-I163 HydrophobicContact CG2-CD1 4.08Å; V110-I163 HydrophobicContact CG1-CD1 4.08Å; P147-I163 HydrophobicContact CG-CG2 3.84Å; P147-I163 PolarHBondContact O-N 2.87Å; I149-I163 HydrophobicContact CD1-CD1 4.18Å; I149-I163 HydrophobicContact CG1-CB 4.16Å; I149-I163 HydrophobicContact CG1-CD1 4.28Å; I149-I163 HydrophobicContact CG1-CG1 4.37Å; V161-I163 PolarHBondContact O-N 3.4Å |
| 164 | E | 88.4 | Confident | 93.7 | Very high | 164 Ų | 164 | 50.3 Ų | 50.3 | 77% | 0.766 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -52 | -175.9 | -64.7 | -172.3 | 172 | 0 | 0 | 111.8 | D162 | D162-E164 VanDerWaalsContact C-N 3.32Å; D162-E164 PolarHBondContact O-N 3.21Å; D162-E164 PolarHBondContact OD1-N 3.5Å |
| 165 | S | 90.6 | Very high | 93.5 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13.1 | -177.1 | 71.5 | 0 | 0 | 0 | 0 | 113.7 | D162 K167 | D162-S165 WeakPolarHBondContact CB-OG 3.31Å; D162-S165 WeakPolarHBondContact OD1-CA 3.31Å; D162-S165 WeakPolarHBondContact OD1-CB 3.4Å; D162-S165 PolarHBondContact OD1-N 2.75Å; D162-S165 PolarHBondContact OD1-OG 2.91Å; S165-K167 PolarHBondContact O-N 2.7Å; S165-K167 VanDerWaalsContact O-N 3.09Å; S165-K167 PolarHBondContact OG-N 2.78Å |
| 166 | Q | 91.1 | Very high | 93.4 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | trans | 55.5 | 18.8 | -172.6 | -57 | -172.6 | 10.3 | 0 | 0 | 114.1 | D162 | D162-Q166 WeakPolarHBondContact O-CA 3.41Å; D162-Q166 PolarHBondContact O-N 2.81Å | ||
| 167 | K | 94.1 | Very high | 93.3 | Very high | 147 Ų | 147 | 56.9 Ų | 56.9 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | trans | -82.4 | 140.1 | 177.6 | -68.7 | -177.9 | -178.5 | 175 | 0 | 110.3 | V161 D162 S165 T169 | V161-K167 WeakPolarHBondContact CA-O 3.32Å; D162-K167 PolarHBondContact N-O 3.44Å; S165-K167 PolarHBondContact O-N 2.7Å; S165-K167 VanDerWaalsContact O-N 3.09Å; S165-K167 PolarHBondContact OG-N 2.78Å; K167-T169 PolarHBondContact O-N 2.83Å | ||
| 168 | I | 95 | Very high | 93.3 | Very high | 99 Ų | 99 | 57 Ų | 57 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 119.5 | 171.6 | -59.6 | 171.8 | 0 | 0 | 0 | 108 | K159 T160 V161 Y170 | K159-I168 HydrophobicContact CB-CG2 4.44Å; K159-I168 HydrophobicContact CD-CD1 4.4Å; K159-I168 HydrophobicContact CD-CG1 4.49Å; T160-I168 CarbonylContact O-C 3.58Å; T160-I168 WeakPolarHBondContact O-CA 3.22Å; V161-I168 HydrophobicContact CG2-CG1 4.26Å; I168-Y170 WeakPolarHBondContact CG2-O 3.44Å |
| 169 | T | 94.4 | Very high | 93.2 | Very high | 89 Ų | 89 | 58.1 Ų | 58.1 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -26.2 | 177.7 | 54.6 | 0 | 0 | 0 | 0 | 112 | T160 D162 K167 | T160-T169 WeakPolarHBondContact CB-OG1 3.1Å; T160-T169 WeakPolarHBondContact CG2-OG1 3.34Å; T160-T169 PolarHBondContact O-N 3.22Å; T160-T169 PolarHBondContact O-OG1 3.07Å; D162-T169 HydrophobicContact CB-CG2 3.91Å; K167-T169 PolarHBondContact O-N 2.83Å |
| 170 | Y | 95.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 8% | 0.082 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 148.3 | 177.1 | -173.4 | -98 | 0 | 0 | 0 | 111.3 | K159 T160 I168 F191 V203 T205 Q207 W209 | K159-Y170 CarbonylContact C-O 3.53Å; K159-Y170 WeakPolarHBondContact CA-O 3.3Å; K159-Y170 WeakPolarHBondContact CB-O 3.19Å; T160-Y170 PolarHBondContact N-O 3.05Å; T160-Y170 PolarHBondContact O-N 3.03Å; I168-Y170 WeakPolarHBondContact CG2-O 3.44Å; Y170-F191 HydrophobicContact CD1-CE1 4.4Å; Y170-F191 HydrophobicContact CE1-CE1 4.09Å; Y170-F191 HydrophobicContact CE1-CZ 4.28Å; Y170-V203 HydrophobicContact CE1-CG1 4.14Å; Y170-V203 VanDerWaalsContact OH-CG1 3.28Å; Y170-V203 WeakPolarHBondContact OH-CG1 3.31Å; Y170-T205 HydrophobicContact CD1-CG2 4.32Å; Y170-T205 HydrophobicContact CD2-CG2 4.3Å; Y170-T205 WeakPolarHBondContact CD2-O 3.42Å; Y170-T205 WeakPolarHBondContact CE2-O 3.04Å; Y170-T205 HydrophobicContact CG-CG2 4.16Å; Y170-Q207 WeakPolarHBondContact CE2-O 3.46Å; Y170-W209 HydrophobicContact CE1-CE3 4.11Å; Y170-W209 HydrophobicContact CE1-CZ3 4.41Å |
| 171 | S | 95.6 | Very high | 93.1 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 48% | 0.483 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 143.1 | 173.4 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | G173 | S171-G173 VanDerWaalsContact C-N 3.33Å; S171-G173 PolarHBondContact O-N 2.93Å |
| 172 | S | 94.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | trans | -63.8 | -37.4 | 176.4 | 63.5 | 0 | 0 | 0 | 0 | 113 | L155 L158 T174 W209 | L155-S172 WeakPolarHBondContact O-CB 3.23Å; L155-S172 PolarHBondContact O-OG 3.42Å; L158-S172 PolarHBondContact O-N 2.96Å; L158-S172 PolarHBondContact O-OG 2.79Å; S172-T174 PolarHBondContact O-N 2.88Å; S172-W209 VanDerWaalsContact CB-CZ3 3.47Å; S172-W209 WeakPolarHBondContact O-CB 3.39Å | ||
| 173 | G | 91.5 | Very high | 93.3 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | trans | 61.6 | 9.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S171 | S171-G173 VanDerWaalsContact C-N 3.33Å; S171-G173 PolarHBondContact O-N 2.93Å | ||
| 174 | T | 92.6 | Very high | 93.5 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 23% | 0.233 | 35% | 0.353 | C | S | . | . | trans | -82.7 | 152.6 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | L155 S156 S172 D176 W209 | L155-T174 HydrophobicContact CB-CG2 4.12Å; S156-T174 VanDerWaalsContact CA-O 3.26Å; S156-T174 WeakPolarHBondContact CA-O 2.96Å; S156-T174 WeakPolarHBondContact CB-O 3.01Å; S172-T174 PolarHBondContact O-N 2.88Å; T174-D176 VanDerWaalsContact C-N 3.27Å; T174-D176 HydrophobicContact CG2-CB 3.86Å; T174-D176 WeakPolarHBondContact OG1-CB 3.32Å; T174-D176 PolarHBondContact OG1-N 2.95Å; T174-W209 HydrophobicContact CG2-CZ2 4.37Å | ||
| 175 | S | 91.9 | Very high | 93.9 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 83% | 0.832 | 32% | 0.323 | S | S | * | . | trans | -88.5 | 5.4 | 169.9 | 60.8 | 0 | 0 | 0 | 0 | 113 | S177 | S175-S177 PolarHBondContact O-N 3.44Š| ||
| 176 | D | 91.2 | Very high | 94 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | trans | -66.4 | 121.4 | -176.7 | -161.3 | -38.4 | 0 | 0 | 0 | 112 | L155 S156 T174 E178 R199 | L155-D176 HydrophobicContact CB-CB 4.02Å; L155-D176 HydrophobicContact CD1-CB 4.33Å; S156-D176 WeakPolarHBondContact CA-O 3.33Å; S156-D176 WeakPolarHBondContact CB-O 3.37Å; S156-D176 PolarHBondContact N-O 3.23Å; S156-D176 PolarHBondContact OG-O 2.81Å; T174-D176 VanDerWaalsContact C-N 3.27Å; T174-D176 HydrophobicContact CG2-CB 3.86Å; T174-D176 WeakPolarHBondContact OG1-CB 3.32Å; T174-D176 PolarHBondContact OG1-N 2.95Å; D176-E178 VanDerWaalsContact OD1-CB 3.3Å; D176-E178 WeakPolarHBondContact OD1-CB 3.25Å; D176-E178 PolarHBondContact OD1-N 2.89Å; D176-R199 IonicContact OD1-NH1 3.02Å; D176-R199 IonicContact OD2-CZ 3.91Å; D176-R199 IonicContact OD2-NH1 2.94Å; D176-R199 PolarHBondContact OD2-NH1 2.9Å; D176-R199 IonicContact OD2-NH2 3.85Å; D176-R199 PolarHBondContact OD2-NH2 2.86Å | ||
| 177 | S | 91.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 49.6 Ų | 49.6 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | trans | -92.1 | 5.1 | -176.7 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | R154 S175 S179 | R154-S177 WeakPolarHBondContact CD-O 3.48Å; R154-S177 PolarHBondContact NH1-O 3.47Å; S175-S177 PolarHBondContact O-N 3.44Å; S177-S179 PolarHBondContact O-N 2.91Å | ||
| 178 | E | 92.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 128 | 177.9 | -177.7 | 169.2 | -164.1 | 0 | 0 | 111.9 | R154 L155 D176 G195 S197 R199 | R154-E178 CarbonylContact C-O 3.59Å; R154-E178 WeakPolarHBondContact CA-O 3.3Å; R154-E178 WeakPolarHBondContact CB-O 3.39Å; L155-E178 HydrophobicContact CD1-CB 3.97Å; L155-E178 HydrophobicContact CG-CB 4.37Å; L155-E178 PolarHBondContact N-O 2.95Å; D176-E178 VanDerWaalsContact OD1-CB 3.3Å; D176-E178 WeakPolarHBondContact OD1-CB 3.25Å; D176-E178 PolarHBondContact OD1-N 2.89Å; E178-G195 WeakPolarHBondContact OE1-CA 3.27Å; E178-S197 WeakPolarHBondContact OE1-CB 3.5Å; E178-S197 PolarHBondContact OE1-OG 2.78Å; E178-R199 WeakPolarHBondContact OE2-CD 3.46Å; E178-R199 IonicContact OE2-CZ 3.28Å; E178-R199 IonicContact OE2-NE 2.65Å; E178-R199 IonicContact OE2-NH1 2.65Å; E178-R199 PolarHBondContact OE2-NH1 2.85Å; E178-R199 VanDerWaalsContact OE2-NH1 3.1Å |
| 179 | S | 94.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -72.9 | 141.5 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 111 | R154 S177 G195 T196 | R154-S179 PolarHBondContact NH1-OG 2.79Å; R154-S179 VanDerWaalsContact NH1-OG 3.07Å; S177-S179 PolarHBondContact O-N 2.91Å; S179-G195 CarbonylContact O-C 3.57Å; S179-G195 VanDerWaalsContact O-CA 3.28Å; S179-G195 WeakPolarHBondContact O-CA 3.45Å; S179-T196 PolarHBondContact O-N 2.88Å |
| 180 | L | 95.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 134.6 | 178.6 | -68.6 | 171.8 | 0 | 0 | 0 | 110.9 | R138 G152 T153 L155 L158 F193 | R138-L180 HydrophobicContact CG-CB 4.04Å; G152-L180 WeakPolarHBondContact O-CD1 3.33Å; T153-L180 PolarHBondContact O-N 2.99Å; L155-L180 HydrophobicContact CD2-CD2 3.68Å; L155-L180 HydrophobicContact CG-CD2 4.24Å; L158-L180 HydrophobicContact CD1-CD1 3.84Å; L180-F193 HydrophobicContact CD2-CB 3.95Å; L180-F193 HydrophobicContact CD2-CD2 4.23Å; L180-F193 HydrophobicContact CD2-CG 4.36Å |
| 181 | S | 95.6 | Very high | 93.7 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -36 | 172.6 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | R138 C194 G195 W226 | R138-S181 PolarHBondContact NE-O 2.68Å; R138-S181 PolarHBondContact NH2-O 2.66Å; S181-C194 PolarHBondContact N-O 2.78Å; S181-C194 WeakPolarHBondContact OG-CB 3.46Å; S181-C194 PolarHBondContact OG-O 3.35Å; S181-C194 VanDerWaalsContact OG-O 3.09Å; S181-G195 PolarHBondContact OG-O 2.89Å; S181-W226 WeakPolarHBondContact CB-O 3.28Å; S181-W226 PolarHBondContact OG-O 2.84Å |
| 182 | S | 95.8 | Very high | 93.7 | Very high | 25 Ų | 25 | 36 Ų | 36 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.2 | 177.4 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | C194 A228 | S182-C194 PolarHBondContact N-O 2.82Å; S182-C194 PolarHBondContact O-N 3.02Å; S182-C194 WeakPolarHBondContact OG-CB 3.01Å; S182-A228 PolarHBondContact OG-N 2.93Å; S182-A228 VanDerWaalsContact OG-N 3.15Å; S182-A228 PolarHBondContact OG-O 3.06Å |
| 183 | L | 97 | Very high | 93.8 | Very high | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 124.6 | -175.4 | -171.1 | 62.1 | 0 | 0 | 0 | 108.5 | R138 L150 L158 F191 F193 | R138-L183 HydrophobicContact CB-CB 3.78Å; R138-L183 HydrophobicContact CB-CD2 4.11Å; L150-L183 HydrophobicContact CD2-CD1 3.81Å; L150-L183 HydrophobicContact CD2-CD2 4.22Å; L150-L183 HydrophobicContact CD2-CG 3.85Å; L150-L183 HydrophobicContact CG-CD1 4.18Å; L150-L183 HydrophobicContact CG-CD2 3.82Å; L150-L183 HydrophobicContact CG-CG 4.04Å; L158-L183 HydrophobicContact CD1-CD1 3.8Å; L158-L183 HydrophobicContact CD1-CD2 3.83Å; L158-L183 HydrophobicContact CD1-CG 4.49Å; L183-F191 HydrophobicContact CD1-CD2 4.09Å; L183-F191 HydrophobicContact CD1-CE2 4.34Å; L183-F193 HydrophobicContact CD1-CB 4.07Å |
| 184 | Q | 95.8 | Very high | 94 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 121.3 | -172.6 | -172.5 | -176.2 | 11.7 | 0 | 0 | 110.9 | L186 F191 A192 D229 V230 | Q184-L186 HydrophobicContact CG-CD2 4.18Å; Q184-F191 CarbonylContact O-C 3.53Å; Q184-F191 VanDerWaalsContact O-CA 3.26Å; Q184-F191 WeakPolarHBondContact O-CA 3.28Å; Q184-F191 WeakPolarHBondContact O-CB 3.36Å; Q184-A192 PolarHBondContact N-O 3.36Å; Q184-A192 PolarHBondContact O-N 3.21Å; Q184-D229 PolarHBondContact NE2-OD1 2.93Å; Q184-D229 PolarHBondContact OE1-OD1 2.97Å; Q184-V230 PolarHBondContact NE2-O 2.88Å |
| 185 | V | 95.3 | Very high | 94.1 | Very high | 23 Ų | 23 | 30.7 Ų | 30.7 | 14% | 0.139 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 134.1 | 166.6 | 171 | 0 | 0 | 0 | 0 | 109.6 | S140 F142 L150 D187 F191 | S140-V185 PolarHBondContact OG-N 3.3Å; F142-V185 HydrophobicContact CD1-CB 4.35Å; F142-V185 HydrophobicContact CD1-CG1 3.44Å; F142-V185 VanDerWaalsContact CD1-CG1 3.44Å; F142-V185 HydrophobicContact CD1-CG2 3.91Å; F142-V185 HydrophobicContact CD2-CG2 4Å; F142-V185 HydrophobicContact CE1-CB 4.37Å; F142-V185 HydrophobicContact CE1-CG1 3.67Å; F142-V185 HydrophobicContact CE1-CG2 3.86Å; F142-V185 HydrophobicContact CE2-CG2 3.97Å; F142-V185 HydrophobicContact CG-CG1 4.13Å; F142-V185 HydrophobicContact CG-CG2 3.98Å; F142-V185 HydrophobicContact CZ-CG2 3.89Å; L150-V185 HydrophobicContact CB-CG2 4.37Å; L150-V185 HydrophobicContact CD2-CG2 3.93Å; V185-D187 WeakPolarHBondContact CG1-O 3.22Å; V185-F191 HydrophobicContact CG2-CB 4.44Å |
| 186 | L | 92.7 | Very high | 94.2 | Very high | 33 Ų | 33 | 26.6 Ų | 26.6 | 17% | 0.173 | 16% | 0.16 | C | C | . | . | trans | -104.8 | -33.9 | -177 | -53.8 | -178 | 0 | 0 | 0 | 112.7 | Q184 T190 A192 L202 V230 | Q184-L186 HydrophobicContact CG-CD2 4.18Å; L186-T190 PolarHBondContact N-O 2.97Å; L186-A192 HydrophobicContact CD1-CB 4.24Å; L186-A192 HydrophobicContact CD2-CB 4.23Å; L186-A192 HydrophobicContact CG-CB 4.41Å; L186-L202 HydrophobicContact CD1-CD2 3.7Å; L186-V230 HydrophobicContact CD1-CG1 4.32Å; L186-V230 HydrophobicContact CD2-CB 3.58Å; L186-V230 HydrophobicContact CD2-CG1 3.65Å; L186-V230 HydrophobicContact CD2-CG2 3.99Å | ||
| 187 | D | 90.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 29% | 0.289 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -159.5 | -167.2 | 173.4 | 56.6 | 44.6 | 0 | 0 | 0 | 109.5 | F142 V185 D189 T190 R233 | F142-D187 WeakPolarHBondContact CD1-O 3Å; F142-D187 WeakPolarHBondContact CE1-O 3.43Å; V185-D187 WeakPolarHBondContact CG1-O 3.22Å; D187-D189 PolarHBondContact O-N 3.3Å; D187-D189 VanDerWaalsContact O-N 3.17Å; D187-D189 PolarHBondContact OD1-N 3.4Å; D187-T190 PolarHBondContact N-O 2.65Å; D187-T190 WeakPolarHBondContact OD1-CB 3.4Å; D187-T190 PolarHBondContact OD1-N 3.19Å; D187-T190 PolarHBondContact OD1-OG1 3.25Å; D187-T190 PolarHBondContact OD2-OG1 2.88Å; D187-R233 IonicContact OD2-CZ 2.84Å; D187-R233 IonicContact OD2-NE 3.59Å; D187-R233 PolarHBondContact OD2-NE 2.95Å; D187-R233 IonicContact OD2-NH2 3.33Å; D187-R233 PolarHBondContact OD2-NH2 3.29Å |
| 188 | S | 91.3 | Very high | 94.3 | Very high | 62 Ų | 62 | 23.6 Ų | 23.6 | 43% | 0.434 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -60.2 | -24.3 | -176.9 | -55.4 | 0 | 0 | 0 | 0 | 114.8 | F142 | F142-S188 WeakPolarHBondContact CD1-O 3.36Š|
| 189 | D | 92.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 23.8 Ų | 23.8 | 28% | 0.283 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -126.7 | -7.5 | -172.2 | -64.1 | -47.1 | 0 | 0 | 0 | 113.4 | D187 D204 T205 R206 | D187-D189 PolarHBondContact O-N 3.3Å; D187-D189 VanDerWaalsContact O-N 3.17Å; D187-D189 PolarHBondContact OD1-N 3.4Å; D189-D204 CarbonylContact O-C 3.57Å; D189-D204 WeakPolarHBondContact O-CA 3.37Å; D189-T205 PolarHBondContact O-N 2.97Å; D189-T205 PolarHBondContact O-OG1 2.78Å; D189-R206 HydrophobicContact CB-CG 4.09Å; D189-R206 WeakPolarHBondContact OD2-CD 3.46Å; D189-R206 IonicContact OD2-CZ 2.81Å; D189-R206 IonicContact OD2-NE 2.7Å; D189-R206 IonicContact OD2-NH1 2.91Å; D189-R206 PolarHBondContact OD2-NH1 3.27Å |
| 190 | T | 93.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 23.1 Ų | 23.1 | 10% | 0.104 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.3 | -173.2 | 67.1 | 0 | 0 | 0 | 0 | 113 | L186 D187 V203 D204 R233 | L186-T190 PolarHBondContact N-O 2.97Å; D187-T190 PolarHBondContact N-O 2.65Å; D187-T190 WeakPolarHBondContact OD1-CB 3.4Å; D187-T190 PolarHBondContact OD1-N 3.19Å; D187-T190 PolarHBondContact OD1-OG1 3.25Å; D187-T190 PolarHBondContact OD2-OG1 2.88Å; T190-V203 WeakPolarHBondContact CA-O 3.18Å; T190-V203 WeakPolarHBondContact CB-O 3.31Å; T190-D204 HydrophobicContact CG2-CB 4.26Å; T190-R233 PolarHBondContact OG1-NH2 3.01Å |
| 191 | F | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 160.4 | 176.1 | 70.4 | -94.4 | 0 | 0 | 0 | 111.2 | F142 L150 L158 Y170 L183 Q184 V185 F193 V203 T205 W209 | F142-F191 HydrophobicContact CZ-CB 4.29Å; F142-F191 AromaticContact CZ-CD1 3.97Å; F142-F191 HydrophobicContact CZ-CD1 3.97Å; L150-F191 HydrophobicContact CD1-CD1 4.4Å; L150-F191 HydrophobicContact CD1-CE1 4.2Å; L150-F191 HydrophobicContact CD1-CE2 4.49Å; L150-F191 HydrophobicContact CD1-CZ 4.23Å; L150-F191 HydrophobicContact CD2-CB 3.55Å; L150-F191 HydrophobicContact CD2-CD1 3.92Å; L150-F191 HydrophobicContact CD2-CD2 3.69Å; L150-F191 HydrophobicContact CD2-CE1 4.48Å; L150-F191 HydrophobicContact CD2-CE2 4.33Å; L150-F191 HydrophobicContact CD2-CG 3.45Å; L150-F191 VanDerWaalsContact CD2-CG 3.45Å; L158-F191 HydrophobicContact CD2-CE2 3.56Å; L158-F191 HydrophobicContact CD2-CZ 3.65Å; Y170-F191 HydrophobicContact CD1-CE1 4.4Å; Y170-F191 HydrophobicContact CE1-CE1 4.09Å; Y170-F191 HydrophobicContact CE1-CZ 4.28Å; L183-F191 HydrophobicContact CD1-CD2 4.09Å; L183-F191 HydrophobicContact CD1-CE2 4.34Å; Q184-F191 CarbonylContact O-C 3.53Å; Q184-F191 VanDerWaalsContact O-CA 3.26Å; Q184-F191 WeakPolarHBondContact O-CA 3.28Å; Q184-F191 WeakPolarHBondContact O-CB 3.36Å; V185-F191 HydrophobicContact CG2-CB 4.44Å; F191-F193 HydrophobicContact CE2-CD1 4.27Å; F191-V203 HydrophobicContact CD1-CB 3.93Å; F191-V203 HydrophobicContact CD1-CG1 4.17Å; F191-V203 HydrophobicContact CD2-CB 4.16Å; F191-V203 HydrophobicContact CD2-CG2 4.37Å; F191-V203 HydrophobicContact CE1-CB 3.49Å; F191-V203 VanDerWaalsContact CE1-CB 3.49Å; F191-V203 HydrophobicContact CE1-CG1 3.37Å; F191-V203 HydrophobicContact CE1-CG2 4.23Å; F191-V203 HydrophobicContact CE2-CB 3.69Å; F191-V203 HydrophobicContact CE2-CG1 4.29Å; F191-V203 HydrophobicContact CE2-CG2 3.62Å; F191-V203 HydrophobicContact CG-CB 4.28Å; F191-V203 HydrophobicContact CZ-CB 3.37Å; F191-V203 HydrophobicContact CZ-CG1 3.46Å; F191-V203 VanDerWaalsContact CZ-CG1 3.46Å; F191-V203 HydrophobicContact CZ-CG2 3.57Å; F191-V203 PolarHBondContact N-O 3.47Å; F191-V203 PolarHBondContact O-N 3.45Å; F191-T205 HydrophobicContact CD1-CG2 3.83Å; F191-T205 HydrophobicContact CE1-CG2 3.81Å; F191-W209 HydrophobicContact CZ-CZ3 4.12Å |
| 192 | A | 96.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 7% | 0.066 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 149.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q184 L186 G201 L202 V230 | Q184-A192 PolarHBondContact N-O 3.36Å; Q184-A192 PolarHBondContact O-N 3.21Å; L186-A192 HydrophobicContact CD1-CB 4.24Å; L186-A192 HydrophobicContact CD2-CB 4.23Å; L186-A192 HydrophobicContact CG-CB 4.41Å; A192-G201 CarbonylContact C-O 3.56Å; A192-G201 VanDerWaalsContact CA-O 3.28Å; A192-G201 WeakPolarHBondContact CA-O 3.13Å; A192-L202 HydrophobicContact CB-CD2 3.71Å; A192-V230 HydrophobicContact CB-CG2 3.57Å |
| 193 | F | 96.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.4 | 168 | 69.1 | -101.1 | 0 | 0 | 0 | 110.9 | L155 L180 L183 F191 L200 G201 V203 W209 P211 E213 | L155-F193 HydrophobicContact CD1-CE2 4.06Å; L155-F193 HydrophobicContact CD1-CZ 4.35Å; L155-F193 HydrophobicContact CD2-CD1 4.15Å; L155-F193 HydrophobicContact CD2-CD2 3.6Å; L155-F193 HydrophobicContact CD2-CE1 4.06Å; L155-F193 HydrophobicContact CD2-CE2 3.53Å; L155-F193 HydrophobicContact CD2-CG 3.92Å; L155-F193 HydrophobicContact CD2-CZ 3.75Å; L155-F193 HydrophobicContact CG-CE2 4.42Å; L180-F193 HydrophobicContact CD2-CB 3.95Å; L180-F193 HydrophobicContact CD2-CD2 4.23Å; L180-F193 HydrophobicContact CD2-CG 4.36Å; L183-F193 HydrophobicContact CD1-CB 4.07Å; F191-F193 HydrophobicContact CE2-CD1 4.27Å; F193-L200 WeakPolarHBondContact O-CA 3.05Å; F193-G201 PolarHBondContact N-O 2.79Å; F193-G201 PolarHBondContact O-N 3.35Å; F193-V203 HydrophobicContact CD1-CG2 4.09Å; F193-V203 HydrophobicContact CE1-CG2 3.96Å; F193-W209 HydrophobicContact CD1-CH2 4.32Å; F193-W209 AromaticContact CE1-CH2 3.86Å; F193-W209 HydrophobicContact CE1-CH2 3.86Å; F193-W209 HydrophobicContact CE1-CZ2 4.17Å; F193-P211 HydrophobicContact CE1-CB 4.01Å; F193-P211 HydrophobicContact CE1-CG 4.48Å; F193-P211 HydrophobicContact CZ-CB 4.39Å; F193-E213 HydrophobicContact CZ-CG 4.42Å |
| 194 | C | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.7 | 162.6 | -167.9 | 0 | 0 | 0 | 0 | 109 | S181 S182 R199 L200 A228 | S181-C194 PolarHBondContact N-O 2.78Å; S181-C194 WeakPolarHBondContact OG-CB 3.46Å; S181-C194 PolarHBondContact OG-O 3.35Å; S181-C194 VanDerWaalsContact OG-O 3.09Å; S182-C194 PolarHBondContact N-O 2.82Å; S182-C194 PolarHBondContact O-N 3.02Å; S182-C194 WeakPolarHBondContact OG-CB 3.01Å; C194-R199 CarbonylContact C-O 3.51Å; C194-R199 WeakPolarHBondContact CA-O 3.26Å; C194-L200 HydrophobicContact CB-CD2 3.74Å; C194-A228 HydrophobicContact CB-CB 3.91Å |
| 195 | G | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 158.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E178 S179 S181 S197 G198 R199 | E178-G195 WeakPolarHBondContact OE1-CA 3.27Å; S179-G195 CarbonylContact O-C 3.57Å; S179-G195 VanDerWaalsContact O-CA 3.28Å; S179-G195 WeakPolarHBondContact O-CA 3.45Å; S181-G195 PolarHBondContact OG-O 2.89Å; G195-S197 PolarHBondContact O-N 2.95Å; G195-G198 PolarHBondContact O-N 3.32Å; G195-R199 PolarHBondContact N-O 3.07Å |
| 196 | T | 93.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 30.4 Ų | 30.4 | 21% | 0.209 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.7 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | S179 G198 R225 W226 | S179-T196 PolarHBondContact O-N 2.88Å; T196-G198 VanDerWaalsContact C-N 3.29Å; T196-R225 VanDerWaalsContact O-CA 3.32Å; T196-R225 WeakPolarHBondContact O-CA 3.15Å; T196-W226 PolarHBondContact O-N 2.98Å |
| 197 | S | 91.9 | Very high | 94 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 39% | 0.385 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.9 | 176.7 | 78 | 0 | 0 | 0 | 0 | 114.5 | E178 G195 R199 S216 W226 | E178-S197 WeakPolarHBondContact OE1-CB 3.5Å; E178-S197 PolarHBondContact OE1-OG 2.78Å; G195-S197 PolarHBondContact O-N 2.95Å; S197-R199 PolarHBondContact OG-N 2.79Å; S197-S216 VanDerWaalsContact O-CB 3.27Å; S197-S216 WeakPolarHBondContact O-CB 3.28Å; S197-S216 PolarHBondContact O-OG 2.65Å; S197-S216 VanDerWaalsContact O-OG 3.11Å; S197-W226 VanDerWaalsContact C-CD1 3.48Å |
| 198 | G | 91.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 91.1 | 4.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G195 T196 L200 | G195-G198 PolarHBondContact O-N 3.32Å; T196-G198 VanDerWaalsContact C-N 3.29Å; G198-L200 PolarHBondContact O-N 2.85Å |
| 199 | R | 92.5 | Very high | 94.3 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | trans | -63.8 | 130.3 | 169.7 | -172.1 | -170.7 | -176.1 | 178.7 | -3 | 110.1 | D176 E178 C194 G195 S197 E213 A214 F215 | D176-R199 IonicContact OD1-NH1 3.02Å; D176-R199 IonicContact OD2-CZ 3.91Å; D176-R199 IonicContact OD2-NH1 2.94Å; D176-R199 PolarHBondContact OD2-NH1 2.9Å; D176-R199 IonicContact OD2-NH2 3.85Å; D176-R199 PolarHBondContact OD2-NH2 2.86Å; E178-R199 WeakPolarHBondContact OE2-CD 3.46Å; E178-R199 IonicContact OE2-CZ 3.28Å; E178-R199 IonicContact OE2-NE 2.65Å; E178-R199 IonicContact OE2-NH1 2.65Å; E178-R199 PolarHBondContact OE2-NH1 2.85Å; E178-R199 VanDerWaalsContact OE2-NH1 3.1Å; C194-R199 CarbonylContact C-O 3.51Å; C194-R199 WeakPolarHBondContact CA-O 3.26Å; G195-R199 PolarHBondContact N-O 3.07Å; S197-R199 PolarHBondContact OG-N 2.79Å; R199-E213 IonicContact CZ-OE1 2.63Å; R199-E213 IonicContact CZ-OE2 3.52Å; R199-E213 VanDerWaalsContact CZ-OE2 3.25Å; R199-E213 IonicContact NE-OE1 2.9Å; R199-E213 IonicContact NE-OE2 3.95Å; R199-E213 PolarHBondContact NE-OE2 3.16Å; R199-E213 IonicContact NH2-OE1 3.25Å; R199-E213 PolarHBondContact NH2-OE1 2.96Å; R199-E213 IonicContact NH2-OE2 3.1Å; R199-E213 PolarHBondContact NH2-OE2 3.3Å; R199-A214 WeakPolarHBondContact CA-O 3.15Å; R199-A214 VanDerWaalsContact CG-O 3.3Å; R199-A214 WeakPolarHBondContact CG-O 3.47Å; R199-F215 HydrophobicContact CG-CD1 4.34Å | ||
| 200 | L | 94.2 | Very high | 94.2 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.8 | 178.8 | -65.7 | 168.1 | 0 | 0 | 0 | 109.5 | F193 C194 G198 E213 A214 A228 V241 L253 | F193-L200 WeakPolarHBondContact O-CA 3.05Å; C194-L200 HydrophobicContact CB-CD2 3.74Å; G198-L200 PolarHBondContact O-N 2.85Å; L200-E213 CarbonylContact O-C 3.57Å; L200-E213 WeakPolarHBondContact O-CA 3.29Å; L200-A214 PolarHBondContact N-O 2.93Å; L200-A214 PolarHBondContact O-N 3.23Å; L200-A228 HydrophobicContact CD2-CB 3.49Å; L200-A228 VanDerWaalsContact CD2-CB 3.49Å; L200-V241 HydrophobicContact CD1-CG1 4.11Å; L200-V241 HydrophobicContact CD2-CG1 4.49Å; L200-L253 HydrophobicContact CD1-CD1 3.73Å; L200-L253 HydrophobicContact CD1-CD2 4Å; L200-L253 HydrophobicContact CD1-CG 4.47Å |
| 201 | G | 94.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 143.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A192 F193 L212 | A192-G201 CarbonylContact C-O 3.56Å; A192-G201 VanDerWaalsContact CA-O 3.28Å; A192-G201 WeakPolarHBondContact CA-O 3.13Å; F193-G201 PolarHBondContact N-O 2.79Å; F193-G201 PolarHBondContact O-N 3.35Å; G201-L212 CarbonylContact C-O 3.59Å; G201-L212 VanDerWaalsContact CA-O 3.29Å; G201-L212 WeakPolarHBondContact CA-O 3.3Å |
| 202 | L | 94.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130 | 171.4 | -65 | 172.2 | 0 | 0 | 0 | 109.3 | L186 A192 P211 L212 P255 L258 | L186-L202 HydrophobicContact CD1-CD2 3.7Å; A192-L202 HydrophobicContact CB-CD2 3.71Å; L202-P211 CarbonylContact O-C 3.57Å; L202-P211 VanDerWaalsContact O-CA 3.25Å; L202-P211 WeakPolarHBondContact O-CA 3.32Å; L202-L212 HydrophobicContact CB-CB 4.44Å; L202-L212 PolarHBondContact N-O 3.24Å; L202-L212 PolarHBondContact O-N 2.88Å; L202-P255 HydrophobicContact CD1-CB 3.68Å; L202-L258 HydrophobicContact CD1-CD1 4.13Å; L202-L258 HydrophobicContact CG-CD1 4.1Å |
| 203 | V | 95.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137 | -173.8 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | Y170 T190 F191 F193 W209 P211 | Y170-V203 HydrophobicContact CE1-CG1 4.14Å; Y170-V203 VanDerWaalsContact OH-CG1 3.28Å; Y170-V203 WeakPolarHBondContact OH-CG1 3.31Å; T190-V203 WeakPolarHBondContact CA-O 3.18Å; T190-V203 WeakPolarHBondContact CB-O 3.31Å; F191-V203 HydrophobicContact CD1-CB 3.93Å; F191-V203 HydrophobicContact CD1-CG1 4.17Å; F191-V203 HydrophobicContact CD2-CB 4.16Å; F191-V203 HydrophobicContact CD2-CG2 4.37Å; F191-V203 HydrophobicContact CE1-CB 3.49Å; F191-V203 VanDerWaalsContact CE1-CB 3.49Å; F191-V203 HydrophobicContact CE1-CG1 3.37Å; F191-V203 HydrophobicContact CE1-CG2 4.23Å; F191-V203 HydrophobicContact CE2-CB 3.69Å; F191-V203 HydrophobicContact CE2-CG1 4.29Å; F191-V203 HydrophobicContact CE2-CG2 3.62Å; F191-V203 HydrophobicContact CG-CB 4.28Å; F191-V203 HydrophobicContact CZ-CB 3.37Å; F191-V203 HydrophobicContact CZ-CG1 3.46Å; F191-V203 VanDerWaalsContact CZ-CG1 3.46Å; F191-V203 HydrophobicContact CZ-CG2 3.57Å; F191-V203 PolarHBondContact N-O 3.47Å; F191-V203 PolarHBondContact O-N 3.45Å; F193-V203 HydrophobicContact CD1-CG2 4.09Å; F193-V203 HydrophobicContact CE1-CG2 3.96Å; V203-W209 HydrophobicContact CG1-CE3 4.32Å; V203-W209 HydrophobicContact CG1-CZ3 4.26Å; V203-W209 HydrophobicContact CG2-CE3 4.4Å; V203-W209 HydrophobicContact CG2-CH2 4.1Å; V203-W209 HydrophobicContact CG2-CZ3 3.81Å; V203-P211 HydrophobicContact CG2-CB 3.84Å |
| 204 | D | 94.9 | Very high | 92.7 | Very high | 34 Ų | 34 | 47.7 Ų | 47.7 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.2 | 168.3 | -175.4 | -27.5 | 0 | 0 | 0 | 108.7 | D189 T190 R206 Q207 | D189-D204 CarbonylContact O-C 3.57Å; D189-D204 WeakPolarHBondContact O-CA 3.37Å; T190-D204 HydrophobicContact CG2-CB 4.26Å; D204-R206 PolarHBondContact O-N 2.86Å; D204-R206 VanDerWaalsContact OD1-CB 3.23Å; D204-R206 WeakPolarHBondContact OD1-CB 3.5Å; D204-R206 WeakPolarHBondContact OD1-CG 3.5Å; D204-R206 IonicContact OD1-CZ 3.62Å; D204-R206 PolarHBondContact OD1-N 2.98Å; D204-R206 IonicContact OD1-NE 3.45Å; D204-R206 PolarHBondContact OD1-NE 2.6Å; D204-R206 IonicContact OD1-NH2 3.68Å; D204-R206 IonicContact OD2-CZ 3.57Å; D204-R206 IonicContact OD2-NE 3.8Å; D204-R206 PolarHBondContact OD2-NE 3.42Å; D204-R206 IonicContact OD2-NH2 3.45Å; D204-R206 PolarHBondContact OD2-NH2 3.28Å; D204-Q207 HydrophobicContact CB-CG 4.41Å; D204-Q207 PolarHBondContact O-N 3.42Å; D204-Q207 VanDerWaalsContact O-N 3.15Å |
| 205 | T | 94.4 | Very high | 91.7 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -14.9 | -174.7 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | F142 Y170 D189 F191 Q207 | F142-T205 HydrophobicContact CE2-CG2 4.44Å; F142-T205 HydrophobicContact CZ-CG2 3.82Å; Y170-T205 HydrophobicContact CD1-CG2 4.32Å; Y170-T205 HydrophobicContact CD2-CG2 4.3Å; Y170-T205 WeakPolarHBondContact CD2-O 3.42Å; Y170-T205 WeakPolarHBondContact CE2-O 3.04Å; Y170-T205 HydrophobicContact CG-CG2 4.16Å; D189-T205 PolarHBondContact O-N 2.97Å; D189-T205 PolarHBondContact O-OG1 2.78Å; F191-T205 HydrophobicContact CD1-CG2 3.83Å; F191-T205 HydrophobicContact CE1-CG2 3.81Å; T205-Q207 PolarHBondContact O-N 3.05Å |
| 206 | R | 93.8 | Very high | 90.3 | Very high | 167 Ų | 167 | 56.1 Ų | 56.1 | 63% | 0.63 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16 | 174.8 | -56.4 | 170.1 | -66.8 | -161.2 | 9.9 | 112.1 | D189 D204 | D189-R206 HydrophobicContact CB-CG 4.09Å; D189-R206 WeakPolarHBondContact OD2-CD 3.46Å; D189-R206 IonicContact OD2-CZ 2.81Å; D189-R206 IonicContact OD2-NE 2.7Å; D189-R206 IonicContact OD2-NH1 2.91Å; D189-R206 PolarHBondContact OD2-NH1 3.27Å; D204-R206 PolarHBondContact O-N 2.86Å; D204-R206 VanDerWaalsContact OD1-CB 3.23Å; D204-R206 WeakPolarHBondContact OD1-CB 3.5Å; D204-R206 WeakPolarHBondContact OD1-CG 3.5Å; D204-R206 IonicContact OD1-CZ 3.62Å; D204-R206 PolarHBondContact OD1-N 2.98Å; D204-R206 IonicContact OD1-NE 3.45Å; D204-R206 PolarHBondContact OD1-NE 2.6Å; D204-R206 IonicContact OD1-NH2 3.68Å; D204-R206 IonicContact OD2-CZ 3.57Å; D204-R206 IonicContact OD2-NE 3.8Å; D204-R206 PolarHBondContact OD2-NE 3.42Å; D204-R206 IonicContact OD2-NH2 3.45Å; D204-R206 PolarHBondContact OD2-NH2 3.28Å |
| 207 | Q | 94.6 | Very high | 88.7 | Confident | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -105.8 | 158.3 | 179.1 | -56.2 | -169.9 | 18.4 | 0 | 0 | 110.9 | Y170 D204 T205 | Y170-Q207 WeakPolarHBondContact CE2-O 3.46Å; D204-Q207 HydrophobicContact CB-CG 4.41Å; D204-Q207 PolarHBondContact O-N 3.42Å; D204-Q207 VanDerWaalsContact O-N 3.15Å; T205-Q207 PolarHBondContact O-N 3.05Å |
| 208 | K | 93.8 | Very high | 87.2 | Confident | 192 Ų | 192 | 55.3 Ų | 55.3 | 84% | 0.835 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -61.9 | 154.9 | 166 | -69.1 | -174.7 | 179.1 | -179.2 | 0 | 109.4 | A210 | K208-A210 PolarHBondContact O-N 2.83Š|
| 209 | W | 94.1 | Very high | 85.3 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -49 | 105.7 | 178.9 | -176.1 | -95.8 | 0 | 0 | 0 | 112.4 | L155 L158 Y170 S172 T174 F191 F193 V203 P211 | L155-W209 HydrophobicContact CD2-CH2 4.27Å; L155-W209 HydrophobicContact CD2-CZ2 4.36Å; L158-W209 HydrophobicContact CD2-CH2 3.74Å; L158-W209 HydrophobicContact CD2-CZ3 3.76Å; Y170-W209 HydrophobicContact CE1-CE3 4.11Å; Y170-W209 HydrophobicContact CE1-CZ3 4.41Å; S172-W209 VanDerWaalsContact CB-CZ3 3.47Å; S172-W209 WeakPolarHBondContact O-CB 3.39Å; T174-W209 HydrophobicContact CG2-CZ2 4.37Å; F191-W209 HydrophobicContact CZ-CZ3 4.12Å; F193-W209 HydrophobicContact CD1-CH2 4.32Å; F193-W209 AromaticContact CE1-CH2 3.86Å; F193-W209 HydrophobicContact CE1-CH2 3.86Å; F193-W209 HydrophobicContact CE1-CZ2 4.17Å; V203-W209 HydrophobicContact CG1-CE3 4.32Å; V203-W209 HydrophobicContact CG1-CZ3 4.26Å; V203-W209 HydrophobicContact CG2-CE3 4.4Å; V203-W209 HydrophobicContact CG2-CH2 4.1Å; V203-W209 HydrophobicContact CG2-CZ3 3.81Å; W209-P211 HydrophobicContact CZ2-CG 3.98Å |
| 210 | A | 91.4 | Very high | 83.3 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 60% | 0.595 | 35% | 0.346 | S | S | * | . | trans | -155.1 | 63.8 | 178 | 0 | 0 | 0 | 0 | 0 | 108.4 | K208 | K208-A210 PolarHBondContact O-N 2.83Š| ||
| 211 | P | 90.2 | Very high | 81.4 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 16% | 0.156 | 35% | 0.352 | C | S | . | . | trans | -58.5 | 143.7 | -178.8 | 23.9 | -34.5 | 0 | 0 | 0 | 111.9 | F193 L202 V203 W209 E213 | F193-P211 HydrophobicContact CE1-CB 4.01Å; F193-P211 HydrophobicContact CE1-CG 4.48Å; F193-P211 HydrophobicContact CZ-CB 4.39Å; L202-P211 CarbonylContact O-C 3.57Å; L202-P211 VanDerWaalsContact O-CA 3.25Å; L202-P211 WeakPolarHBondContact O-CA 3.32Å; V203-P211 HydrophobicContact CG2-CB 3.84Å; W209-P211 HydrophobicContact CZ2-CG 3.98Å; P211-E213 HydrophobicContact CB-CG 3.62Å; P211-E213 HydrophobicContact CG-CG 3.64Å; P211-E213 WeakPolarHBondContact CG-OE1 3.33Å; P211-E213 PolarHBondContact O-N 2.63Å | ||
| 212 | L | 88.8 | Confident | 79.6 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 113.1 | 160.1 | 175.3 | 65.4 | 0 | 0 | 0 | 107.2 | G201 L202 P255 L258 | G201-L212 CarbonylContact C-O 3.59Å; G201-L212 VanDerWaalsContact CA-O 3.29Å; G201-L212 WeakPolarHBondContact CA-O 3.3Å; L202-L212 HydrophobicContact CB-CB 4.44Å; L202-L212 PolarHBondContact N-O 3.24Å; L202-L212 PolarHBondContact O-N 2.88Å; L212-P255 VanDerWaalsContact CD2-O 3.24Å; L212-P255 WeakPolarHBondContact CD2-O 3.45Å; L212-L258 HydrophobicContact CG-CD1 4.35Å; L212-L258 WeakPolarHBondContact O-CD1 3.25Å |
| 213 | E | 87.9 | Confident | 78.5 | Confident | 39 Ų | 39 | 75.5 Ų | 75.5 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 156.3 | -170.2 | -63.2 | -175.7 | 164.1 | 0 | 0 | 113.5 | F193 R199 L200 P211 | F193-E213 HydrophobicContact CZ-CG 4.42Å; R199-E213 IonicContact CZ-OE1 2.63Å; R199-E213 IonicContact CZ-OE2 3.52Å; R199-E213 VanDerWaalsContact CZ-OE2 3.25Å; R199-E213 IonicContact NE-OE1 2.9Å; R199-E213 IonicContact NE-OE2 3.95Å; R199-E213 PolarHBondContact NE-OE2 3.16Å; R199-E213 IonicContact NH2-OE1 3.25Å; R199-E213 PolarHBondContact NH2-OE1 2.96Å; R199-E213 IonicContact NH2-OE2 3.1Å; R199-E213 PolarHBondContact NH2-OE2 3.3Å; L200-E213 CarbonylContact O-C 3.57Å; L200-E213 WeakPolarHBondContact O-CA 3.29Å; P211-E213 HydrophobicContact CB-CG 3.62Å; P211-E213 HydrophobicContact CG-CG 3.64Å; P211-E213 WeakPolarHBondContact CG-OE1 3.33Å; P211-E213 PolarHBondContact O-N 2.63Å |
| 214 | A | 82.4 | Confident | 77.9 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R199 L200 L258 | R199-A214 WeakPolarHBondContact CA-O 3.15Å; R199-A214 VanDerWaalsContact CG-O 3.3Å; R199-A214 WeakPolarHBondContact CG-O 3.47Å; L200-A214 PolarHBondContact N-O 2.93Å; L200-A214 PolarHBondContact O-N 3.23Å; A214-L258 HydrophobicContact CB-CB 3.37Å; A214-L258 WeakPolarHBondContact CB-O 3.48Å |
| 215 | F | 75.5 | Confident | 77.8 | Confident | 151 Ų | 151 | 80.5 Ų | 80.5 | 66% | 0.662 | 44% | 0.439 | S | S | * | . | trans | -88.4 | 160.6 | 174.7 | -61.5 | -81 | 0 | 0 | 0 | 110.3 | R199 | R199-F215 HydrophobicContact CG-CD1 4.34Š| ||
| 216 | S | 67.1 | Low | 77.8 | Confident | 27 Ų | 27 | 79 Ų | 79 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | trans | -44.7 | 135.5 | -175 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | S197 S218 | S197-S216 VanDerWaalsContact O-CB 3.27Å; S197-S216 WeakPolarHBondContact O-CB 3.28Å; S197-S216 PolarHBondContact O-OG 2.65Å; S197-S216 VanDerWaalsContact O-OG 3.11Å; S216-S218 PolarHBondContact O-N 3.44Å; S216-S218 VanDerWaalsContact O-N 3.11Å | ||
| 217 | P | 59.4 | Low | 77.9 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -65.1 | -12.2 | 178.5 | 25.6 | -32.6 | 0 | 0 | 0 | 113.4 | W226 P261 | P217-W226 HydrophobicContact CG-CH2 3.63Å; P217-W226 HydrophobicContact CG-CZ2 4.09Å; P217-W226 HydrophobicContact CG-CZ3 4.02Å; P217-P261 HydrophobicContact CB-CG 4.27Å |
| 218 | S | 59.7 | Low | 78 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 15% | 0.154 | 38% | 0.382 | C | S | . | . | trans | -135.7 | 90.2 | 176.9 | 50 | 0 | 0 | 0 | 0 | 111.5 | S216 D220 S221 | S216-S218 PolarHBondContact O-N 3.44Å; S216-S218 VanDerWaalsContact O-N 3.11Å; S218-D220 PolarHBondContact O-N 3.47Å; S218-D220 VanDerWaalsContact O-N 3.11Å; S218-S221 PolarHBondContact O-N 2.94Å; S218-S221 PolarHBondContact O-OG 3.12Å; S218-S221 PolarHBondContact OG-OG 2.84Å | ||
| 219 | P | 51.2 | Low | 78.2 | Confident | 118 Ų | 118 | 59 Ų | 59 | 77% | 0.766 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.8 | 178 | 21.7 | -30.8 | 0 | 0 | 0 | 113.9 | ||
| 220 | D | 50.6 | Low | 78.2 | Confident | 156 Ų | 156 | 56.8 Ų | 56.8 | 83% | 0.834 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -7.5 | -179 | -62.8 | -32.7 | 0 | 0 | 0 | 114.1 | S218 S222 | S218-D220 PolarHBondContact O-N 3.47Å; S218-D220 VanDerWaalsContact O-N 3.11Å; D220-S222 VanDerWaalsContact C-N 3.31Å; D220-S222 PolarHBondContact O-N 2.93Å |
| 221 | S | 55.7 | Low | 78.1 | Confident | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | trans | -88.2 | 61 | -174.1 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | S218 G223 Q224 | S218-S221 PolarHBondContact O-N 2.94Å; S218-S221 PolarHBondContact O-OG 3.12Å; S218-S221 PolarHBondContact OG-OG 2.84Å; S221-G223 PolarHBondContact O-N 3.08Å; S221-G223 VanDerWaalsContact O-N 3.16Å; S221-Q224 PolarHBondContact O-N 3.36Å; S221-Q224 PolarHBondContact OG-OE1 3.07Å | ||
| 222 | S | 56.2 | Low | 77.4 | Confident | 122 Ų | 122 | 57.1 Ų | 57.1 | 85% | 0.853 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 121 | 174.5 | 62.8 | 0 | 0 | 0 | 0 | 111 | D220 | D220-S222 VanDerWaalsContact C-N 3.31Å; D220-S222 PolarHBondContact O-N 2.93Å |
| 223 | G | 70.2 | Confident | 76.3 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 79% | 0.794 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.7 | -7.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S221 | S221-G223 PolarHBondContact O-N 3.08Å; S221-G223 VanDerWaalsContact O-N 3.16Å |
| 224 | Q | 84.4 | Confident | 75 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | trans | -70.9 | 143.8 | 172.1 | -71.4 | -175 | -6.2 | 0 | 0 | 111.5 | S221 D247 | S221-Q224 PolarHBondContact O-N 3.36Å; S221-Q224 PolarHBondContact OG-OE1 3.07Å; Q224-D247 PolarHBondContact NE2-OD2 3.15Å | ||
| 225 | R | 92.4 | Very high | 74 | Confident | 98 Ų | 98 | 64.8 Ų | 64.8 | 37% | 0.37 | 38% | 0.382 | S | S | . | . | trans | -114.1 | 143.8 | 175.1 | -77.1 | -178.6 | 173.5 | -160.8 | -2.7 | 110.6 | T196 G245 S246 P276 E277 | T196-R225 VanDerWaalsContact O-CA 3.32Å; T196-R225 WeakPolarHBondContact O-CA 3.15Å; R225-G245 CarbonylContact O-C 3.54Å; R225-S246 PolarHBondContact N-OG 2.95Å; R225-S246 VanDerWaalsContact N-OG 3.07Å; R225-S246 WeakPolarHBondContact O-CB 3.48Å; R225-S246 PolarHBondContact O-N 2.91Å; R225-S246 PolarHBondContact O-OG 3.44Å; R225-P276 HydrophobicContact CB-CB 3.56Å; R225-P276 HydrophobicContact CB-CG 4.27Å; R225-P276 HydrophobicContact CG-CB 4.14Å; R225-E277 IonicContact CZ-OE1 2.7Å; R225-E277 IonicContact NH1-OE1 3.5Å; R225-E277 PolarHBondContact NH1-OE1 2.84Å | ||
| 226 | W | 94.9 | Very high | 73.2 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.8 | -172.6 | -65.9 | 77.8 | 0 | 0 | 0 | 111.5 | S181 T196 S197 P217 L244 Q249 | S181-W226 WeakPolarHBondContact CB-O 3.28Å; S181-W226 PolarHBondContact OG-O 2.84Å; T196-W226 PolarHBondContact O-N 2.98Å; S197-W226 VanDerWaalsContact C-CD1 3.48Å; P217-W226 HydrophobicContact CG-CH2 3.63Å; P217-W226 HydrophobicContact CG-CZ2 4.09Å; P217-W226 HydrophobicContact CG-CZ3 4.02Å; W226-L244 CarbonylContact C-O 3.48Å; W226-L244 VanDerWaalsContact CA-O 3.23Å; W226-L244 WeakPolarHBondContact CA-O 3.5Å; W226-L244 VanDerWaalsContact CE3-C 3.5Å; W226-Q249 HydrophobicContact CH2-CB 4.09Å; W226-Q249 HydrophobicContact CH2-CG 4.02Å |
| 227 | C | 96.2 | Very high | 72.9 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.068 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 162.4 | 163.6 | 71.3 | 0 | 0 | 0 | 0 | 109.8 | S243 L244 L279 | C227-S243 WeakPolarHBondContact O-CA 3.29Å; C227-L244 PolarHBondContact N-O 3.45Å; C227-L244 PolarHBondContact O-N 2.87Å; C227-L279 VanDerWaalsContact SG-C 3.59Å; C227-L279 PolarHBondContact SG-O 2.88Å |
| 228 | A | 96.9 | Very high | 73.3 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S182 C194 L200 V241 A242 | S182-A228 PolarHBondContact OG-N 2.93Å; S182-A228 VanDerWaalsContact OG-N 3.15Å; S182-A228 PolarHBondContact OG-O 3.06Å; C194-A228 HydrophobicContact CB-CB 3.91Å; L200-A228 HydrophobicContact CD2-CB 3.49Å; L200-A228 VanDerWaalsContact CD2-CB 3.49Å; A228-V241 HydrophobicContact CB-CG1 4.39Å; A228-A242 CarbonylContact C-O 3.4Å; A228-A242 WeakPolarHBondContact CA-O 3.24Å; A228-A242 VanDerWaalsContact CB-O 3.26Å; A228-A242 WeakPolarHBondContact CB-O 3.38Å |
| 229 | D | 96.4 | Very high | 73.8 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 17% | 0.166 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 138.8 | 172.9 | -173.8 | 51.2 | 0 | 0 | 0 | 110.1 | Q184 V241 A242 V281 S282 W283 | Q184-D229 PolarHBondContact NE2-OD1 2.93Å; Q184-D229 PolarHBondContact OE1-OD1 2.97Å; D229-V241 WeakPolarHBondContact O-CA 3.19Å; D229-A242 PolarHBondContact N-O 3.11Å; D229-A242 PolarHBondContact O-N 3.21Å; D229-V281 HydrophobicContact CB-CG1 4.06Å; D229-V281 VanDerWaalsContact CB-O 3.31Å; D229-V281 WeakPolarHBondContact CB-O 3.25Å; D229-S282 VanDerWaalsContact OD2-CA 3.31Å; D229-S282 WeakPolarHBondContact OD2-CA 3.47Å; D229-W283 PolarHBondContact O-NE1 3.4Å; D229-W283 VanDerWaalsContact OD2-CD1 3.29Å; D229-W283 PolarHBondContact OD2-N 2.87Å |
| 230 | V | 93.9 | Very high | 75.4 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.2 | 179.6 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | Q184 L186 A192 C240 V241 | Q184-V230 PolarHBondContact NE2-O 2.88Å; L186-V230 HydrophobicContact CD1-CG1 4.32Å; L186-V230 HydrophobicContact CD2-CB 3.58Å; L186-V230 HydrophobicContact CD2-CG1 3.65Å; L186-V230 HydrophobicContact CD2-CG2 3.99Å; A192-V230 HydrophobicContact CB-CG2 3.57Å; V230-C240 CarbonylContact C-O 3.51Å; V230-C240 WeakPolarHBondContact CA-O 3.27Å; V230-C240 WeakPolarHBondContact CG1-O 3.28Å; V230-V241 HydrophobicContact CG1-CG2 4.3Å; V230-V241 HydrophobicContact CG2-CG1 4.32Å; V230-V241 HydrophobicContact CG2-CG2 4.09Å |
| 231 | R | 89.5 | Confident | 77.5 | Confident | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.045 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 136.1 | 176.5 | -170.5 | 171.4 | 68.6 | -172.8 | 8.5 | 110.1 | R233 Q235 G236 G238 C240 W283 N289 | R231-R233 PolarHBondContact O-N 3.38Å; R231-Q235 HydrophobicContact CG-CB 4.19Å; R231-Q235 PolarHBondContact NE-O 3.09Å; R231-Q235 PolarHBondContact NH2-O 2.93Å; R231-G236 PolarHBondContact NH2-O 2.86Å; R231-G238 PolarHBondContact NH2-O 3.3Å; R231-C240 PolarHBondContact N-O 3.13Å; R231-C240 PolarHBondContact O-SG 2.91Å; R231-C240 VanDerWaalsContact O-SG 3.42Å; R231-W283 HydrophobicContact CB-CB 4.23Å; R231-W283 HydrophobicContact CB-CD2 4.03Å; R231-W283 HydrophobicContact CB-CG 3.75Å; R231-W283 HydrophobicContact CG-CB 4.2Å; R231-W283 HydrophobicContact CG-CD2 4.37Å; R231-W283 HydrophobicContact CG-CG 4.14Å; R231-N289 PolarHBondContact NH1-OD1 3.49Å |
| 232 | N | 76.8 | Confident | 79.3 | Confident | 91 Ų | 91 | 50.8 Ų | 50.8 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 138.4 | 178.1 | -75.5 | -34.6 | 0 | 0 | 0 | 111.5 | G234 | N232-G234 PolarHBondContact O-N 3.2Š|
| 233 | R | 65.6 | Low | 81.2 | Confident | 162 Ų | 162 | 45 Ų | 45 | 61% | 0.611 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 124.8 | 177.7 | -68.4 | -171.1 | -156.1 | -84 | 0.3 | 109.6 | D187 T190 R231 | D187-R233 IonicContact OD2-CZ 2.84Å; D187-R233 IonicContact OD2-NE 3.59Å; D187-R233 PolarHBondContact OD2-NE 2.95Å; D187-R233 IonicContact OD2-NH2 3.33Å; D187-R233 PolarHBondContact OD2-NH2 3.29Å; T190-R233 PolarHBondContact OG1-NH2 3.01Å; R231-R233 PolarHBondContact O-N 3.38Å |
| 234 | G | 60.1 | Low | 82.4 | Confident | 83 Ų | 83 | 41.3 Ų | 41.3 | 86% | 0.856 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 118.5 | -13.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N232 G236 | N232-G234 PolarHBondContact O-N 3.2Å; G234-G236 PolarHBondContact O-N 2.88Å |
| 235 | Q | 60.6 | Low | 83 | Confident | 45 Ų | 45 | 39 Ų | 39 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -91 | 99.8 | 174.5 | -71.3 | 167 | 2.7 | 0 | 0 | 110.3 | R231 P285 | R231-Q235 HydrophobicContact CG-CB 4.19Å; R231-Q235 PolarHBondContact NE-O 3.09Å; R231-Q235 PolarHBondContact NH2-O 2.93Å; Q235-P285 PolarHBondContact NE2-O 3.15Å |
| 236 | G | 59.9 | Low | 83.1 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | trans | 64.9 | 163.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | R231 G234 | R231-G236 PolarHBondContact NH2-O 2.86Å; G234-G236 PolarHBondContact O-N 2.88Å | ||
| 237 | P | 60.1 | Low | 83 | Confident | 132 Ų | 132 | 36.3 Ų | 36.3 | 86% | 0.857 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -86.4 | 107.8 | 170.7 | 32.5 | -27.9 | 0 | 0 | 0 | 109.9 | ||
| 238 | G | 67.3 | Low | 82.8 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -177 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R231 | R231-G238 PolarHBondContact NH2-O 3.3Š|
| 239 | P | 70.8 | Confident | 82.7 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 16% | 0.156 | 22% | 0.224 | C | C | . | . | trans | -57.5 | 143.3 | 172.5 | 25.2 | -32.2 | 0 | 0 | 0 | 110.2 | L252 V262 | P239-L252 HydrophobicContact CB-CB 3.88Å; P239-L252 HydrophobicContact CG-CB 3.84Å; P239-L252 HydrophobicContact CG-CD1 4.06Å; P239-V262 HydrophobicContact CB-CB 4.11Å; P239-V262 HydrophobicContact CB-CG1 4.39Å; P239-V262 HydrophobicContact CB-CG2 4.12Å; P239-V262 HydrophobicContact CG-CG1 4.42Å | ||
| 240 | C | 85.5 | Confident | 82.5 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | trans | -115.8 | -6.8 | -164.3 | -156.8 | 0 | 0 | 0 | 0 | 113.4 | V230 R231 L253 P255 | V230-C240 CarbonylContact C-O 3.51Å; V230-C240 WeakPolarHBondContact CA-O 3.27Å; V230-C240 WeakPolarHBondContact CG1-O 3.28Å; R231-C240 PolarHBondContact N-O 3.13Å; R231-C240 PolarHBondContact O-SG 2.91Å; R231-C240 VanDerWaalsContact O-SG 3.42Å; C240-L253 PolarHBondContact N-O 2.99Å; C240-P255 VanDerWaalsContact CB-CD 3.45Å; C240-P255 HydrophobicContact CB-CG 3.7Å | ||
| 241 | V | 93.3 | Very high | 82.4 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.4 | 175.6 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | L200 A228 D229 V230 L252 L253 L258 | L200-V241 HydrophobicContact CD1-CG1 4.11Å; L200-V241 HydrophobicContact CD2-CG1 4.49Å; A228-V241 HydrophobicContact CB-CG1 4.39Å; D229-V241 WeakPolarHBondContact O-CA 3.19Å; V230-V241 HydrophobicContact CG1-CG2 4.3Å; V230-V241 HydrophobicContact CG2-CG1 4.32Å; V230-V241 HydrophobicContact CG2-CG2 4.09Å; V241-L252 CarbonylContact O-C 3.49Å; V241-L252 WeakPolarHBondContact O-CA 3.39Å; V241-L253 HydrophobicContact CB-CB 4.24Å; V241-L253 HydrophobicContact CB-CD1 4.32Å; V241-L253 HydrophobicContact CG1-CD1 4.26Å; V241-L253 PolarHBondContact N-O 3.36Å; V241-L253 VanDerWaalsContact N-O 3.08Å; V241-L253 PolarHBondContact O-N 2.7Å; V241-L258 HydrophobicContact CG2-CD2 4.16Å |
| 242 | A | 94.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | A228 D229 L250 C251 L252 V281 W283 L291 | A228-A242 CarbonylContact C-O 3.4Å; A228-A242 WeakPolarHBondContact CA-O 3.24Å; A228-A242 VanDerWaalsContact CB-O 3.26Å; A228-A242 WeakPolarHBondContact CB-O 3.38Å; D229-A242 PolarHBondContact N-O 3.11Å; D229-A242 PolarHBondContact O-N 3.21Å; A242-L250 HydrophobicContact CB-CD1 4.26Å; A242-C251 WeakPolarHBondContact CA-O 3.24Å; A242-L252 HydrophobicContact CB-CD2 4.07Å; A242-V281 HydrophobicContact CB-CG2 3.69Å; A242-W283 HydrophobicContact CB-CZ2 3.76Å; A242-L291 HydrophobicContact CB-CD2 4.02Å |
| 243 | S | 95.3 | Very high | 83.3 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.9 | 178.7 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | C227 L250 C251 | C227-S243 WeakPolarHBondContact O-CA 3.29Å; S243-L250 WeakPolarHBondContact O-CA 3.24Å; S243-L250 WeakPolarHBondContact O-CD1 3.23Å; S243-C251 PolarHBondContact N-O 2.89Å; S243-C251 PolarHBondContact O-N 2.93Å |
| 244 | L | 96.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.3 | -173.2 | 179.6 | 65.5 | 0 | 0 | 0 | 109.9 | W226 C227 Q249 L250 L279 R280 V281 I293 F296 | W226-L244 CarbonylContact C-O 3.48Å; W226-L244 VanDerWaalsContact CA-O 3.23Å; W226-L244 WeakPolarHBondContact CA-O 3.5Å; W226-L244 VanDerWaalsContact CE3-C 3.5Å; C227-L244 PolarHBondContact N-O 3.45Å; C227-L244 PolarHBondContact O-N 2.87Å; L244-Q249 WeakPolarHBondContact CA-O 3.32Å; L244-L250 HydrophobicContact CB-CD1 4.26Å; L244-L250 HydrophobicContact CD1-CB 4.2Å; L244-L250 HydrophobicContact CD1-CD1 4.4Å; L244-L279 HydrophobicContact CD2-CD1 3.62Å; L244-L279 HydrophobicContact CD2-CD2 4.43Å; L244-L279 HydrophobicContact CD2-CG 3.81Å; L244-L279 HydrophobicContact CG-CD1 3.96Å; L244-L279 HydrophobicContact CG-CD2 4.15Å; L244-L279 HydrophobicContact CG-CG 4.07Å; L244-L279 VanDerWaalsContact O-CD2 3.23Å; L244-L279 WeakPolarHBondContact O-CD2 3.21Å; L244-R280 VanDerWaalsContact CD2-O 3.3Å; L244-R280 WeakPolarHBondContact CD2-O 2.99Å; L244-V281 HydrophobicContact CB-CB 3.99Å; L244-V281 HydrophobicContact CB-CG1 4.06Å; L244-V281 HydrophobicContact CD2-CB 4.1Å; L244-I293 HydrophobicContact CD1-CD1 4.39Å; L244-I293 HydrophobicContact CD1-CG2 4.22Å; L244-I293 HydrophobicContact CD2-CB 3.82Å; L244-I293 HydrophobicContact CD2-CG2 3.84Å; L244-F296 HydrophobicContact CD1-CE2 4.33Å; L244-F296 HydrophobicContact CD1-CZ 4.02Å; L244-F296 HydrophobicContact CD2-CE2 4.02Å; L244-F296 HydrophobicContact CD2-CZ 4.19Å; L244-F296 HydrophobicContact CG-CE2 4.5Å; L244-F296 HydrophobicContact CG-CZ 4.21Å |
| 245 | G | 95.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 152.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R225 D247 G248 Q249 | R225-G245 CarbonylContact O-C 3.54Å; G245-D247 PolarHBondContact O-N 3.31Å; G245-G248 PolarHBondContact O-N 3.36Å; G245-Q249 PolarHBondContact N-O 2.68Å |
| 246 | S | 95.2 | Very high | 86.9 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.8 | 178.6 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | R225 S272 S273 F296 | R225-S246 PolarHBondContact N-OG 2.95Å; R225-S246 VanDerWaalsContact N-OG 3.07Å; R225-S246 WeakPolarHBondContact O-CB 3.48Å; R225-S246 PolarHBondContact O-N 2.91Å; R225-S246 PolarHBondContact O-OG 3.44Å; S246-S272 CarbonylContact O-C 3.58Å; S246-S272 WeakPolarHBondContact O-CA 3.33Å; S246-S272 WeakPolarHBondContact O-CB 3.42Å; S246-S273 PolarHBondContact O-N 2.85Å; S246-F296 WeakPolarHBondContact O-CE1 3.42Å |
| 247 | D | 92.9 | Very high | 88.2 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 3.9 | 174.2 | 69.1 | -19.9 | 0 | 0 | 0 | 113.3 | Q224 G245 Q249 Q266 V269 | Q224-D247 PolarHBondContact NE2-OD2 3.15Å; G245-D247 PolarHBondContact O-N 3.31Å; D247-Q249 VanDerWaalsContact OD1-CB 3.3Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.48Å; D247-Q249 PolarHBondContact OD1-N 3.44Å; D247-Q266 PolarHBondContact O-NE2 2.64Å; D247-V269 VanDerWaalsContact O-CG2 3.31Å; D247-V269 WeakPolarHBondContact O-CG2 3.4Å |
| 248 | G | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 86.1 | 6.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G245 L250 Q266 C267 | G245-G248 PolarHBondContact O-N 3.36Å; G248-L250 PolarHBondContact O-N 3.09Å; G248-Q266 PolarHBondContact O-NE2 2.86Å; G248-C267 WeakPolarHBondContact O-CB 3.3Å; G248-C267 PolarHBondContact O-N 3.42Å |
| 249 | Q | 93.3 | Very high | 90.3 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 123.7 | 169.9 | -172.1 | 177.3 | 10.8 | 0 | 0 | 109.7 | W226 L244 G245 D247 | W226-Q249 HydrophobicContact CH2-CB 4.09Å; W226-Q249 HydrophobicContact CH2-CG 4.02Å; L244-Q249 WeakPolarHBondContact CA-O 3.32Å; G245-Q249 PolarHBondContact N-O 2.68Å; D247-Q249 VanDerWaalsContact OD1-CB 3.3Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.48Å; D247-Q249 PolarHBondContact OD1-N 3.44Å |
| 250 | L | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.5 | 178.1 | 179.6 | 51.3 | 0 | 0 | 0 | 110.1 | A242 S243 L244 G248 S264 A265 V281 L291 I293 W308 | A242-L250 HydrophobicContact CB-CD1 4.26Å; S243-L250 WeakPolarHBondContact O-CA 3.24Å; S243-L250 WeakPolarHBondContact O-CD1 3.23Å; L244-L250 HydrophobicContact CB-CD1 4.26Å; L244-L250 HydrophobicContact CD1-CB 4.2Å; L244-L250 HydrophobicContact CD1-CD1 4.4Å; G248-L250 PolarHBondContact O-N 3.09Å; L250-S264 CarbonylContact O-C 3.48Å; L250-S264 VanDerWaalsContact O-CA 3.31Å; L250-S264 WeakPolarHBondContact O-CA 3.33Å; L250-A265 PolarHBondContact N-O 3.07Å; L250-A265 PolarHBondContact O-N 2.64Å; L250-V281 HydrophobicContact CD1-CG2 4.34Å; L250-L291 HydrophobicContact CD2-CD1 3.6Å; L250-L291 HydrophobicContact CD2-CD2 4.13Å; L250-I293 HydrophobicContact CD2-CG2 4.09Å; L250-W308 HydrophobicContact CB-CH2 4.43Å; L250-W308 HydrophobicContact CD2-CH2 3.55Å; L250-W308 HydrophobicContact CD2-CZ3 4.14Å; L250-W308 HydrophobicContact CG-CH2 3.93Å; L250-W308 HydrophobicContact CG-CZ3 4.02Å |
| 251 | C | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.6 | -178.4 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | A242 S243 L253 P261 | A242-C251 WeakPolarHBondContact CA-O 3.24Å; S243-C251 PolarHBondContact N-O 2.89Å; S243-C251 PolarHBondContact O-N 2.93Å; C251-L253 HydrophobicContact CB-CD1 4.3Å; C251-P261 HydrophobicContact CB-CB 4.46Å |
| 252 | L | 92.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.1 | 174.9 | -55.3 | -178.4 | 0 | 0 | 0 | 109.1 | P239 V241 A242 P261 V262 S263 W283 L291 V305 W308 | P239-L252 HydrophobicContact CB-CB 3.88Å; P239-L252 HydrophobicContact CG-CB 3.84Å; P239-L252 HydrophobicContact CG-CD1 4.06Å; V241-L252 CarbonylContact O-C 3.49Å; V241-L252 WeakPolarHBondContact O-CA 3.39Å; A242-L252 HydrophobicContact CB-CD2 4.07Å; L252-P261 CarbonylContact O-C 3.45Å; L252-P261 WeakPolarHBondContact O-CA 3.26Å; L252-V262 PolarHBondContact O-N 2.84Å; L252-S263 PolarHBondContact N-O 2.86Å; L252-S263 PolarHBondContact O-N 3.29Å; L252-W283 HydrophobicContact CD2-CH2 3.96Å; L252-W283 HydrophobicContact CD2-CZ2 3.97Å; L252-L291 HydrophobicContact CD2-CD2 3.9Å; L252-V305 HydrophobicContact CD1-CB 3.56Å; L252-V305 HydrophobicContact CD1-CG1 3.77Å; L252-V305 HydrophobicContact CD1-CG2 3.79Å; L252-V305 HydrophobicContact CD2-CG1 4.46Å; L252-W308 HydrophobicContact CD1-CD2 4.41Å; L252-W308 HydrophobicContact CD1-CE3 3.57Å; L252-W308 HydrophobicContact CD1-CZ3 3.84Å; L252-W308 HydrophobicContact CD2-CZ3 4.3Å; L252-W308 HydrophobicContact CG-CE3 4.05Å; L252-W308 HydrophobicContact CG-CZ3 3.93Å |
| 253 | L | 91.1 | Very high | 90.6 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150 | -174.1 | -47.6 | 96.7 | 0 | 0 | 0 | 111.9 | L200 C240 V241 C251 L258 P261 | L200-L253 HydrophobicContact CD1-CD1 3.73Å; L200-L253 HydrophobicContact CD1-CD2 4Å; L200-L253 HydrophobicContact CD1-CG 4.47Å; C240-L253 PolarHBondContact N-O 2.99Å; V241-L253 HydrophobicContact CB-CB 4.24Å; V241-L253 HydrophobicContact CB-CD1 4.32Å; V241-L253 HydrophobicContact CG1-CD1 4.26Å; V241-L253 PolarHBondContact N-O 3.36Å; V241-L253 VanDerWaalsContact N-O 3.08Å; V241-L253 PolarHBondContact O-N 2.7Å; C251-L253 HydrophobicContact CB-CD1 4.3Å; L253-L258 HydrophobicContact CB-CD2 4.29Å; L253-L258 WeakPolarHBondContact CD2-O 3.05Å; L253-P261 HydrophobicContact CD2-CG 4.44Å |
| 254 | D | 88.9 | Confident | 90.3 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -90.7 | 127.5 | 171.6 | -169.5 | -44.8 | 0 | 0 | 0 | 108.9 | R256 N257 L258 V262 | D254-R256 PolarHBondContact O-N 3.18Å; D254-R256 VanDerWaalsContact O-N 3.07Å; D254-R256 WeakPolarHBondContact OD1-CB 3.1Å; D254-R256 VanDerWaalsContact OD1-CG 3.28Å; D254-R256 WeakPolarHBondContact OD1-CG 3.31Å; D254-R256 IonicContact OD1-CZ 2.7Å; D254-R256 PolarHBondContact OD1-N 2.98Å; D254-R256 IonicContact OD1-NE 3.97Å; D254-R256 PolarHBondContact OD1-NE 3.09Å; D254-R256 IonicContact OD1-NH2 3.38Å; D254-R256 IonicContact OD2-CZ 3.03Å; D254-R256 VanDerWaalsContact OD2-CZ 3.28Å; D254-R256 IonicContact OD2-NE 3.63Å; D254-R256 PolarHBondContact OD2-NE 2.81Å; D254-R256 VanDerWaalsContact OD2-NE 3.12Å; D254-R256 IonicContact OD2-NH2 2.66Å; D254-R256 PolarHBondContact OD2-NH2 2.83Å; D254-N257 CarbonylContact O-C 3.54Å; D254-N257 PolarHBondContact O-N 3Å; D254-N257 VanDerWaalsContact O-O 3.13Å; D254-L258 PolarHBondContact O-N 3.29Å; D254-V262 HydrophobicContact CB-CG2 3.81Å |
| 255 | P | 87.4 | Confident | 90 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.4 | -179.4 | 26.2 | -34.4 | 0 | 0 | 0 | 112.9 | L202 L212 C240 N257 | L202-P255 HydrophobicContact CD1-CB 3.68Å; L212-P255 VanDerWaalsContact CD2-O 3.24Å; L212-P255 WeakPolarHBondContact CD2-O 3.45Å; C240-P255 VanDerWaalsContact CB-CD 3.45Å; C240-P255 HydrophobicContact CB-CG 3.7Å; P255-N257 VanDerWaalsContact C-N 3.35Å |
| 256 | R | 86.1 | Confident | 89.9 | Confident | 207 Ų | 207 | 40.5 Ų | 40.5 | 78% | 0.781 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -20.2 | 173.7 | -56.5 | 171.5 | -69.4 | -177.1 | 0.6 | 112.5 | D254 | D254-R256 PolarHBondContact O-N 3.18Å; D254-R256 VanDerWaalsContact O-N 3.07Å; D254-R256 WeakPolarHBondContact OD1-CB 3.1Å; D254-R256 VanDerWaalsContact OD1-CG 3.28Å; D254-R256 WeakPolarHBondContact OD1-CG 3.31Å; D254-R256 IonicContact OD1-CZ 2.7Å; D254-R256 PolarHBondContact OD1-N 2.98Å; D254-R256 IonicContact OD1-NE 3.97Å; D254-R256 PolarHBondContact OD1-NE 3.09Å; D254-R256 IonicContact OD1-NH2 3.38Å; D254-R256 IonicContact OD2-CZ 3.03Å; D254-R256 VanDerWaalsContact OD2-CZ 3.28Å; D254-R256 IonicContact OD2-NE 3.63Å; D254-R256 PolarHBondContact OD2-NE 2.81Å; D254-R256 VanDerWaalsContact OD2-NE 3.12Å; D254-R256 IonicContact OD2-NH2 2.66Å; D254-R256 PolarHBondContact OD2-NH2 2.83Å |
| 257 | N | 86.9 | Confident | 89.7 | Confident | 75 Ų | 75 | 40.1 Ų | 40.1 | 40% | 0.401 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -151.3 | 82.8 | 179.3 | -175.8 | 5.9 | 0 | 0 | 0 | 110.3 | D254 P255 C259 | D254-N257 CarbonylContact O-C 3.54Å; D254-N257 PolarHBondContact O-N 3Å; D254-N257 VanDerWaalsContact O-O 3.13Å; P255-N257 VanDerWaalsContact C-N 3.35Å; N257-C259 PolarHBondContact O-N 2.99Å; N257-C259 PolarHBondContact OD1-N 3.1Å |
| 258 | L | 87.4 | Confident | 89.6 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.8 | 179.7 | -62.7 | 175.8 | 0 | 0 | 0 | 112.5 | L202 L212 A214 V241 L253 D254 H260 | L202-L258 HydrophobicContact CD1-CD1 4.13Å; L202-L258 HydrophobicContact CG-CD1 4.1Å; L212-L258 HydrophobicContact CG-CD1 4.35Å; L212-L258 WeakPolarHBondContact O-CD1 3.25Å; A214-L258 HydrophobicContact CB-CB 3.37Å; A214-L258 WeakPolarHBondContact CB-O 3.48Å; V241-L258 HydrophobicContact CG2-CD2 4.16Å; L253-L258 HydrophobicContact CB-CD2 4.29Å; L253-L258 WeakPolarHBondContact CD2-O 3.05Å; D254-L258 PolarHBondContact O-N 3.29Å; L258-H260 VanDerWaalsContact C-N 3.26Å; L258-H260 PolarHBondContact O-N 3.39Å |
| 259 | C | 84.9 | Confident | 89.4 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 53% | 0.534 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22 | -173.9 | -63.4 | 0 | 0 | 0 | 0 | 113.5 | N257 | N257-C259 PolarHBondContact O-N 2.99Å; N257-C259 PolarHBondContact OD1-N 3.1Å |
| 260 | H | 84.4 | Confident | 88.9 | Confident | 130 Ų | 130 | 47.5 Ų | 47.5 | 60% | 0.602 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -127.4 | 108.6 | -176.7 | -65.8 | -59.9 | 0 | 0 | 0 | 109.7 | L258 V262 | L258-H260 VanDerWaalsContact C-N 3.26Å; L258-H260 PolarHBondContact O-N 3.39Å; H260-V262 PolarHBondContact O-N 3.47Å |
| 261 | P | 88.1 | Confident | 88.6 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | trans | -54.6 | 132.9 | 172.8 | -24.2 | 33.6 | 0 | 0 | 0 | 110.6 | P217 C251 L252 L253 S263 | P217-P261 HydrophobicContact CB-CG 4.27Å; C251-P261 HydrophobicContact CB-CB 4.46Å; L252-P261 CarbonylContact O-C 3.45Å; L252-P261 WeakPolarHBondContact O-CA 3.26Å; L253-P261 HydrophobicContact CD2-CG 4.44Å; P261-S263 VanDerWaalsContact C-N 3.29Å | ||
| 262 | V | 88.8 | Confident | 88.6 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -66.7 | -38.8 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | P239 L252 D254 H260 | P239-V262 HydrophobicContact CB-CB 4.11Å; P239-V262 HydrophobicContact CB-CG1 4.39Å; P239-V262 HydrophobicContact CB-CG2 4.12Å; P239-V262 HydrophobicContact CG-CG1 4.42Å; L252-V262 PolarHBondContact O-N 2.84Å; D254-V262 HydrophobicContact CB-CG2 3.81Å; H260-V262 PolarHBondContact O-N 3.47Å |
| 263 | S | 89 | Confident | 88.5 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 159.1 | 176.1 | -165.4 | 0 | 0 | 0 | 0 | 111 | L252 P261 W308 | L252-S263 PolarHBondContact N-O 2.86Å; L252-S263 PolarHBondContact O-N 3.29Å; P261-S263 VanDerWaalsContact C-N 3.29Å; S263-W308 VanDerWaalsContact OG-CB 3.28Å; S263-W308 WeakPolarHBondContact OG-CB 3.4Å; S263-W308 PolarHBondContact OG-O 2.7Å |
| 264 | S | 89.4 | Confident | 88.6 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 134.8 | 177 | -59.8 | 0 | 0 | 0 | 0 | 110 | L250 | L250-S264 CarbonylContact O-C 3.48Å; L250-S264 VanDerWaalsContact O-CA 3.31Å; L250-S264 WeakPolarHBondContact O-CA 3.33Å |
| 265 | A | 90.7 | Very high | 88.8 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 154.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L250 W308 V315 | L250-A265 PolarHBondContact N-O 3.07Å; L250-A265 PolarHBondContact O-N 2.64Å; A265-W308 HydrophobicContact CB-CD2 4.12Å; A265-W308 HydrophobicContact CB-CE3 3.77Å; A265-W308 HydrophobicContact CB-CH2 3.78Å; A265-W308 HydrophobicContact CB-CZ2 4.12Å; A265-W308 HydrophobicContact CB-CZ3 3.6Å; A265-V315 HydrophobicContact CB-CB 4.25Å; A265-V315 HydrophobicContact CB-CG1 3.53Å; A265-V315 HydrophobicContact CB-CG2 3.67Å |
| 266 | Q | 92.3 | Very high | 89 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 110 | 168.4 | -178.2 | 62.9 | 53.6 | 0 | 0 | 108.4 | D247 G248 S313 V315 | D247-Q266 PolarHBondContact O-NE2 2.64Å; G248-Q266 PolarHBondContact O-NE2 2.86Å; Q266-S313 PolarHBondContact N-O 2.83Å; Q266-V315 PolarHBondContact O-N 3.1Å |
| 267 | C | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | trans | -70 | 138.5 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 109.6 | G248 V269 I293 | G248-C267 WeakPolarHBondContact O-CB 3.3Å; G248-C267 PolarHBondContact O-N 3.42Å; C267-V269 HydrophobicContact CB-CG1 4.33Å; C267-V269 PolarHBondContact O-N 3.5Å; C267-I293 HydrophobicContact CB-CD1 3.75Å | ||
| 268 | P | 90.4 | Very high | 89.8 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | trans | -69.9 | 77.8 | 175.8 | 29 | -38.2 | 0 | 0 | 0 | 111 | Y303 V315 | P268-Y303 WeakPolarHBondContact CD-OH 3.45Å; P268-V315 WeakPolarHBondContact CD-O 3.35Å | ||
| 269 | V | 88.5 | Confident | 90.2 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | trans | -99.3 | 133.3 | 170.7 | -59.2 | 0 | 0 | 0 | 0 | 109.2 | D247 C267 K271 F296 | D247-V269 VanDerWaalsContact O-CG2 3.31Å; D247-V269 WeakPolarHBondContact O-CG2 3.4Å; C267-V269 HydrophobicContact CB-CG1 4.33Å; C267-V269 PolarHBondContact O-N 3.5Å; V269-K271 VanDerWaalsContact C-N 3.31Å; V269-K271 PolarHBondContact O-N 3.13Å; V269-F296 HydrophobicContact CB-CB 4.38Å; V269-F296 HydrophobicContact CB-CD1 3.93Å; V269-F296 HydrophobicContact CB-CE1 4.37Å; V269-F296 HydrophobicContact CB-CG 4.09Å; V269-F296 HydrophobicContact CG1-CB 4.21Å; V269-F296 HydrophobicContact CG1-CD1 3.75Å; V269-F296 HydrophobicContact CG1-CD2 3.73Å; V269-F296 HydrophobicContact CG1-CE1 3.97Å; V269-F296 HydrophobicContact CG1-CE2 3.95Å; V269-F296 HydrophobicContact CG1-CG 3.62Å; V269-F296 HydrophobicContact CG1-CZ 4.06Å; V269-F296 HydrophobicContact CG2-CD1 4.12Å; V269-F296 HydrophobicContact CG2-CE1 4.21Å | ||
| 270 | S | 81.9 | Confident | 90.8 | Very high | 111 Ų | 111 | 51.5 Ų | 51.5 | 78% | 0.776 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -70.4 | -30.3 | -174.5 | -63.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 271 | K | 88 | Confident | 91.4 | Very high | 170 Ų | 170 | 45.9 Ų | 45.9 | 74% | 0.739 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -148.4 | 159.6 | 179.6 | -65.1 | -179.9 | -176.4 | 170.1 | 0 | 109 | V269 | V269-K271 VanDerWaalsContact C-N 3.31Å; V269-K271 PolarHBondContact O-N 3.13Å |
| 272 | S | 91.2 | Very high | 91.8 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 53% | 0.531 | 26% | 0.256 | S | S | . | . | trans | -59.8 | 150.3 | 167.1 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | S246 | S246-S272 CarbonylContact O-C 3.58Å; S246-S272 WeakPolarHBondContact O-CA 3.33Å; S246-S272 WeakPolarHBondContact O-CB 3.42Å | ||
| 273 | S | 91.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | trans | -51.2 | 120.1 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | S246 D275 P276 G295 | S246-S273 PolarHBondContact O-N 2.85Å; S273-D275 VanDerWaalsContact C-N 3.32Å; S273-D275 PolarHBondContact O-N 2.92Å; S273-D275 VanDerWaalsContact OG-C 3.29Å; S273-D275 PolarHBondContact OG-O 3.23Å; S273-P276 WeakPolarHBondContact OG-CA 3.38Å; S273-G295 PolarHBondContact OG-O 2.89Å | ||
| 274 | P | 92.4 | Very high | 92.4 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 61% | 0.61 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -69.6 | -29.4 | -179.7 | 28.4 | -35.3 | 0 | 0 | 0 | 112.6 | F296 L337 | P274-F296 WeakPolarHBondContact CD-O 3.5Å; P274-L337 HydrophobicContact CG-CD1 3.95Å; P274-L337 HydrophobicContact CG-CD2 3.74Å |
| 275 | D | 93.3 | Very high | 92.4 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -130.5 | 93.6 | 170.7 | -179.2 | 0.5 | 0 | 0 | 0 | 109.2 | R28 S273 E277 L278 L337 | R28-D275 IonicContact CZ-OD2 2.72Å; R28-D275 IonicContact NH1-OD2 2.83Å; R28-D275 IonicContact NH2-OD2 3.96Å; R28-D275 PolarHBondContact NH2-OD2 3.42Å; S273-D275 VanDerWaalsContact C-N 3.32Å; S273-D275 PolarHBondContact O-N 2.92Å; S273-D275 VanDerWaalsContact OG-C 3.29Å; S273-D275 PolarHBondContact OG-O 3.23Å; D275-E277 PolarHBondContact O-N 3.39Å; D275-E277 VanDerWaalsContact OD1-CB 3.3Å; D275-E277 WeakPolarHBondContact OD1-CB 3.27Å; D275-E277 PolarHBondContact OD1-N 2.74Å; D275-E277 VanDerWaalsContact OD1-N 3.12Å; D275-L278 HydrophobicContact CB-CD1 4Å; D275-L278 HydrophobicContact CB-CG 4.16Å; D275-L278 WeakPolarHBondContact O-CB 3.35Å; D275-L278 PolarHBondContact O-N 3.35Å; D275-L337 HydrophobicContact CB-CD2 4.34Å |
| 276 | P | 91.6 | Very high | 92.2 | Very high | 38 Ų | 38 | 44.1 Ų | 44.1 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -64.5 | -8.4 | -177.2 | -22.3 | 33.2 | 0 | 0 | 0 | 115.4 | R225 S273 L278 L279 | R225-P276 HydrophobicContact CB-CB 3.56Å; R225-P276 HydrophobicContact CB-CG 4.27Å; R225-P276 HydrophobicContact CG-CB 4.14Å; S273-P276 WeakPolarHBondContact OG-CA 3.38Å; P276-L278 PolarHBondContact O-N 2.65Å; P276-L279 VanDerWaalsContact O-CB 3.31Å; P276-L279 WeakPolarHBondContact O-CB 3.25Å; P276-L279 PolarHBondContact O-N 3.43Å |
| 277 | E | 93.4 | Very high | 92.1 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -71.5 | -19.5 | 171.5 | -60 | -70.4 | 157.2 | 0 | 0 | 112 | W136 R138 R225 D275 R280 | W136-E277 HydrophobicContact CH2-CB 3.86Å; W136-E277 HydrophobicContact CH2-CG 3.66Å; W136-E277 WeakPolarHBondContact CH2-OE2 3.28Å; W136-E277 HydrophobicContact CZ2-CB 4.27Å; W136-E277 HydrophobicContact CZ2-CG 4.43Å; W136-E277 WeakPolarHBondContact CZ2-OE2 3.17Å; R138-E277 IonicContact CZ-OE2 3.68Å; R138-E277 IonicContact NH1-OE2 3.15Å; R138-E277 IonicContact NH2-OE2 3.79Å; R138-E277 PolarHBondContact NH2-OE2 2.86Å; R225-E277 IonicContact CZ-OE1 2.7Å; R225-E277 IonicContact NH1-OE1 3.5Å; R225-E277 PolarHBondContact NH1-OE1 2.84Å; D275-E277 PolarHBondContact O-N 3.39Å; D275-E277 VanDerWaalsContact OD1-CB 3.3Å; D275-E277 WeakPolarHBondContact OD1-CB 3.27Å; D275-E277 PolarHBondContact OD1-N 2.74Å; D275-E277 VanDerWaalsContact OD1-N 3.12Å; E277-R280 PolarHBondContact O-NH1 3.15Å |
| 278 | L | 95.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -92.1 | -1.4 | 176.4 | -58.5 | -179.5 | 0 | 0 | 0 | 113.1 | R28 D275 P276 R280 L337 T339 | R28-L278 HydrophobicContact CG-CD2 3.7Å; D275-L278 HydrophobicContact CB-CD1 4Å; D275-L278 HydrophobicContact CB-CG 4.16Å; D275-L278 WeakPolarHBondContact O-CB 3.35Å; D275-L278 PolarHBondContact O-N 3.35Å; P276-L278 PolarHBondContact O-N 2.65Å; L278-R280 PolarHBondContact O-N 3.06Å; L278-L337 HydrophobicContact CD1-CD2 3.51Å; L278-L337 HydrophobicContact CD1-CG 4.06Å; L278-T339 HydrophobicContact CD1-CG2 4.13Å; L278-T339 HydrophobicContact CD2-CG2 4.36Å |
| 279 | L | 96.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -61.4 | 126.8 | 177 | -166.4 | 67.6 | 0 | 0 | 0 | 109.5 | C227 L244 P276 F296 | C227-L279 VanDerWaalsContact SG-C 3.59Å; C227-L279 PolarHBondContact SG-O 2.88Å; L244-L279 HydrophobicContact CD2-CD1 3.62Å; L244-L279 HydrophobicContact CD2-CD2 4.43Å; L244-L279 HydrophobicContact CD2-CG 3.81Å; L244-L279 HydrophobicContact CG-CD1 3.96Å; L244-L279 HydrophobicContact CG-CD2 4.15Å; L244-L279 HydrophobicContact CG-CG 4.07Å; L244-L279 VanDerWaalsContact O-CD2 3.23Å; L244-L279 WeakPolarHBondContact O-CD2 3.21Å; P276-L279 VanDerWaalsContact O-CB 3.31Å; P276-L279 WeakPolarHBondContact O-CB 3.25Å; P276-L279 PolarHBondContact O-N 3.43Å; L279-F296 HydrophobicContact CD1-CD2 4.45Å; L279-F296 HydrophobicContact CD1-CE1 3.9Å; L279-F296 HydrophobicContact CD1-CE2 3.69Å; L279-F296 HydrophobicContact CD1-CZ 3.37Å | ||
| 280 | R | 97.5 | Very high | 91.9 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 25% | 0.249 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.2 | 179.8 | -64.8 | -64.8 | 178.1 | -94.4 | -0.6 | 110.4 | L244 E277 L278 I293 S294 | L244-R280 VanDerWaalsContact CD2-O 3.3Å; L244-R280 WeakPolarHBondContact CD2-O 2.99Å; E277-R280 PolarHBondContact O-NH1 3.15Å; L278-R280 PolarHBondContact O-N 3.06Å; R280-I293 VanDerWaalsContact O-CA 3.25Å; R280-I293 WeakPolarHBondContact O-CA 3.48Å; R280-S294 PolarHBondContact N-O 3.13Å; R280-S294 VanDerWaalsContact N-O 3.1Å; R280-S294 PolarHBondContact O-N 3.36Å |
| 281 | V | 97.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.6 | 163.7 | 58.2 | 0 | 0 | 0 | 0 | 107.1 | D229 A242 L244 L250 L291 A292 I293 | D229-V281 HydrophobicContact CB-CG1 4.06Å; D229-V281 VanDerWaalsContact CB-O 3.31Å; D229-V281 WeakPolarHBondContact CB-O 3.25Å; A242-V281 HydrophobicContact CB-CG2 3.69Å; L244-V281 HydrophobicContact CB-CB 3.99Å; L244-V281 HydrophobicContact CB-CG1 4.06Å; L244-V281 HydrophobicContact CD2-CB 4.1Å; L250-V281 HydrophobicContact CD1-CG2 4.34Å; V281-L291 HydrophobicContact CG2-CD1 4.37Å; V281-A292 CarbonylContact C-O 3.58Å; V281-A292 VanDerWaalsContact CA-O 3.29Å; V281-A292 WeakPolarHBondContact CA-O 3.27Å; V281-I293 HydrophobicContact CB-CG2 4.31Å; V281-I293 HydrophobicContact CG2-CG2 4.1Å |
| 282 | S | 96.8 | Very high | 93 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 136.4 | 175.1 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | D229 L291 A292 H341 W343 | D229-S282 VanDerWaalsContact OD2-CA 3.31Å; D229-S282 WeakPolarHBondContact OD2-CA 3.47Å; S282-L291 CarbonylContact O-C 3.56Å; S282-L291 VanDerWaalsContact O-CA 3.23Å; S282-L291 WeakPolarHBondContact O-CA 3.44Å; S282-L291 WeakPolarHBondContact O-CB 3.49Å; S282-A292 PolarHBondContact N-O 2.93Å; S282-A292 PolarHBondContact O-N 2.98Å; S282-H341 PolarHBondContact OG-CD2 3.03Å; S282-H341 VanDerWaalsContact OG-CD2 3.25Å; S282-H341 PolarHBondContact OG-NE2 2.63Å; S282-W343 PolarHBondContact O-NE1 3.12Å; S282-W343 VanDerWaalsContact O-NE1 3.09Å; S282-W343 PolarHBondContact OG-NE1 3.3Å |
| 283 | W | 95.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 139.1 | 173.9 | -71.4 | 98.8 | 0 | 0 | 0 | 111.6 | D229 R231 A242 L252 L291 V305 W343 | D229-W283 PolarHBondContact O-NE1 3.4Å; D229-W283 VanDerWaalsContact OD2-CD1 3.29Å; D229-W283 PolarHBondContact OD2-N 2.87Å; R231-W283 HydrophobicContact CB-CB 4.23Å; R231-W283 HydrophobicContact CB-CD2 4.03Å; R231-W283 HydrophobicContact CB-CG 3.75Å; R231-W283 HydrophobicContact CG-CB 4.2Å; R231-W283 HydrophobicContact CG-CD2 4.37Å; R231-W283 HydrophobicContact CG-CG 4.14Å; A242-W283 HydrophobicContact CB-CZ2 3.76Å; L252-W283 HydrophobicContact CD2-CH2 3.96Å; L252-W283 HydrophobicContact CD2-CZ2 3.97Å; W283-L291 HydrophobicContact CD2-CB 4.37Å; W283-L291 HydrophobicContact CE3-CB 4.08Å; W283-L291 HydrophobicContact CE3-CD2 4.46Å; W283-L291 HydrophobicContact CH2-CD2 4Å; W283-L291 HydrophobicContact CZ2-CD2 4.25Å; W283-L291 HydrophobicContact CZ3-CB 4.42Å; W283-L291 HydrophobicContact CZ3-CD2 4.1Å; W283-V305 HydrophobicContact CH2-CG2 4.07Å; W283-V305 HydrophobicContact CZ3-CG2 4.03Å; W283-W343 VanDerWaalsContact O-CD1 3.3Å |
| 284 | A | 93.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | trans | -69.7 | 126.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G286 L287 C290 W343 | A284-G286 VanDerWaalsContact C-N 3.31Å; A284-G286 PolarHBondContact O-N 3.5Å; A284-L287 HydrophobicContact CB-CB 3.82Å; A284-C290 HydrophobicContact CB-CB 3.86Å; A284-C290 WeakPolarHBondContact CB-O 3.29Å; A284-C290 PolarHBondContact N-O 3.32Å; A284-W343 HydrophobicContact CB-CD2 3.87Å; A284-W343 HydrophobicContact CB-CE3 3.88Å; A284-W343 HydrophobicContact CB-CH2 3.69Å; A284-W343 HydrophobicContact CB-CZ2 3.67Å; A284-W343 HydrophobicContact CB-CZ3 3.77Å | ||
| 285 | P | 90.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 23.3 Ų | 23.3 | 24% | 0.24 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -75.2 | -20.9 | -179.4 | 29.1 | -34.5 | 0 | 0 | 0 | 113.2 | Q235 W343 | Q235-P285 PolarHBondContact NE2-O 3.15Å; P285-W343 HydrophobicContact CG-CB 3.84Å |
| 286 | G | 86.9 | Confident | 93.9 | Very high | 43 Ų | 43 | 21.9 Ų | 21.9 | 44% | 0.443 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -117.7 | -0.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A284 P348 | A284-G286 VanDerWaalsContact C-N 3.31Å; A284-G286 PolarHBondContact O-N 3.5Å; G286-P348 WeakPolarHBondContact O-CB 3.41Å |
| 287 | L | 88.3 | Confident | 94 | Very high | 27 Ų | 27 | 22.1 Ų | 22.1 | 14% | 0.141 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -126.6 | 117.6 | 179.3 | -64.3 | 175 | 0 | 0 | 0 | 109.3 | A284 N289 C290 W343 P348 R349 W365 | A284-L287 HydrophobicContact CB-CB 3.82Å; L287-N289 PolarHBondContact O-N 3.26Å; L287-C290 HydrophobicContact CB-CB 3.71Å; L287-C290 HydrophobicContact CD1-CB 4.28Å; L287-C290 PolarHBondContact O-N 2.96Å; L287-W343 HydrophobicContact CD1-CZ3 4.3Å; L287-P348 WeakPolarHBondContact CD1-O 3.3Å; L287-P348 HydrophobicContact CD2-CB 3.63Å; L287-P348 HydrophobicContact CG-CB 3.74Å; L287-P348 WeakPolarHBondContact CG-O 3.36Å; L287-R349 HydrophobicContact CD1-CG 3.98Å; L287-R349 HydrophobicContact CD2-CG 4.44Å; L287-W365 HydrophobicContact CD1-CH2 3.62Å; L287-W365 HydrophobicContact CD1-CZ2 3.75Å |
| 288 | D | 86.4 | Confident | 94 | Very high | 108 Ų | 108 | 20.9 Ų | 20.9 | 58% | 0.578 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 139.2 | 176.7 | -71.2 | -33.3 | 0 | 0 | 0 | 110.5 | C290 | D288-C290 PolarHBondContact O-N 3.36Š|
| 289 | N | 88.1 | Confident | 94 | Very high | 35 Ų | 35 | 21.1 Ų | 21.1 | 19% | 0.187 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 16.6 | 175.8 | -56.1 | -31.5 | 0 | 0 | 0 | 115.3 | R231 L287 V305 T306 | R231-N289 PolarHBondContact NH1-OD1 3.49Å; L287-N289 PolarHBondContact O-N 3.26Å; N289-V305 HydrophobicContact CB-CG2 3.88Å; N289-V305 VanDerWaalsContact O-CG2 3.24Å; N289-V305 WeakPolarHBondContact O-CG2 2.93Å; N289-V305 PolarHBondContact O-N 3.02Å; N289-T306 VanDerWaalsContact CB-OG1 3.32Å; N289-T306 WeakPolarHBondContact CB-OG1 3.28Å; N289-T306 PolarHBondContact ND2-OG1 3.24Å; N289-T306 VanDerWaalsContact ND2-OG1 3.08Å |
| 290 | C | 92.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 7% | 0.068 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 140 | 174.5 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | A284 L287 D288 Y303 | A284-C290 HydrophobicContact CB-CB 3.86Å; A284-C290 WeakPolarHBondContact CB-O 3.29Å; A284-C290 PolarHBondContact N-O 3.32Å; L287-C290 HydrophobicContact CB-CB 3.71Å; L287-C290 HydrophobicContact CD1-CB 4.28Å; L287-C290 PolarHBondContact O-N 2.96Å; D288-C290 PolarHBondContact O-N 3.36Å; C290-Y303 VanDerWaalsContact CA-O 3.24Å; C290-Y303 WeakPolarHBondContact CA-O 3.4Å |
| 291 | L | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159 | 171.3 | 62.1 | 81.3 | 0 | 0 | 0 | 110.5 | A242 L250 L252 V281 S282 W283 I293 I302 Y303 V305 | A242-L291 HydrophobicContact CB-CD2 4.02Å; L250-L291 HydrophobicContact CD2-CD1 3.6Å; L250-L291 HydrophobicContact CD2-CD2 4.13Å; L252-L291 HydrophobicContact CD2-CD2 3.9Å; V281-L291 HydrophobicContact CG2-CD1 4.37Å; S282-L291 CarbonylContact O-C 3.56Å; S282-L291 VanDerWaalsContact O-CA 3.23Å; S282-L291 WeakPolarHBondContact O-CA 3.44Å; S282-L291 WeakPolarHBondContact O-CB 3.49Å; W283-L291 HydrophobicContact CD2-CB 4.37Å; W283-L291 HydrophobicContact CE3-CB 4.08Å; W283-L291 HydrophobicContact CE3-CD2 4.46Å; W283-L291 HydrophobicContact CH2-CD2 4Å; W283-L291 HydrophobicContact CZ2-CD2 4.25Å; W283-L291 HydrophobicContact CZ3-CB 4.42Å; W283-L291 HydrophobicContact CZ3-CD2 4.1Å; L291-I293 HydrophobicContact CD1-CG2 3.86Å; L291-I302 CarbonylContact O-C 3.57Å; L291-I302 WeakPolarHBondContact O-CA 3.47Å; L291-Y303 HydrophobicContact CD1-CD2 4.11Å; L291-Y303 PolarHBondContact N-O 3.31Å; L291-Y303 PolarHBondContact O-N 3.28Å; L291-V305 HydrophobicContact CD2-CG1 3.77Å; L291-V305 HydrophobicContact CG-CG1 4.15Å |
| 292 | A | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V281 S282 V300 Q301 I302 H341 W343 L351 | V281-A292 CarbonylContact C-O 3.58Å; V281-A292 VanDerWaalsContact CA-O 3.29Å; V281-A292 WeakPolarHBondContact CA-O 3.27Å; S282-A292 PolarHBondContact N-O 2.93Å; S282-A292 PolarHBondContact O-N 2.98Å; A292-V300 HydrophobicContact CB-CG1 4.2Å; A292-Q301 CarbonylContact C-O 3.43Å; A292-Q301 VanDerWaalsContact CA-O 3.27Å; A292-Q301 WeakPolarHBondContact CA-O 3.44Å; A292-I302 HydrophobicContact CB-CG1 4.24Å; A292-H341 WeakPolarHBondContact CB-NE2 3.35Å; A292-H341 PolarHBondContact O-NE2 2.92Å; A292-W343 HydrophobicContact CB-CZ2 3.61Å; A292-L351 HydrophobicContact CB-CD2 3.9Å |
| 293 | I | 98.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.8 | 170.7 | 71.2 | 176.9 | 0 | 0 | 0 | 111.2 | L244 L250 C267 R280 V281 L291 F296 Q301 Y303 | L244-I293 HydrophobicContact CD1-CD1 4.39Å; L244-I293 HydrophobicContact CD1-CG2 4.22Å; L244-I293 HydrophobicContact CD2-CB 3.82Å; L244-I293 HydrophobicContact CD2-CG2 3.84Å; L250-I293 HydrophobicContact CD2-CG2 4.09Å; C267-I293 HydrophobicContact CB-CD1 3.75Å; R280-I293 VanDerWaalsContact O-CA 3.25Å; R280-I293 WeakPolarHBondContact O-CA 3.48Å; V281-I293 HydrophobicContact CB-CG2 4.31Å; V281-I293 HydrophobicContact CG2-CG2 4.1Å; L291-I293 HydrophobicContact CD1-CG2 3.86Å; I293-F296 HydrophobicContact CD1-CE2 4.14Å; I293-Q301 HydrophobicContact CD1-CB 4.48Å; I293-Q301 HydrophobicContact CG1-CB 3.92Å; I293-Q301 PolarHBondContact N-O 2.98Å; I293-Q301 PolarHBondContact O-N 2.9Å; I293-Y303 HydrophobicContact CD1-CD2 4.49Å; I293-Y303 HydrophobicContact CD1-CE2 3.61Å; I293-Y303 HydrophobicContact CG1-CD2 4.49Å; I293-Y303 HydrophobicContact CG1-CE2 3.84Å |
| 294 | S | 98 | Very high | 93.7 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 179.8 | 172.2 | 73.7 | 0 | 0 | 0 | 0 | 111.9 | R280 H341 | R280-S294 PolarHBondContact N-O 3.13Å; R280-S294 VanDerWaalsContact N-O 3.1Å; R280-S294 PolarHBondContact O-N 3.36Å; S294-H341 WeakPolarHBondContact CB-ND1 3.35Å; S294-H341 PolarHBondContact OG-ND1 3.16Å |
| 295 | G | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 101.5 | 7.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S273 | S273-G295 PolarHBondContact OG-O 2.89Š|
| 296 | F | 95.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 21.9 Ų | 21.9 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -96.6 | -38.7 | 177 | -60.3 | -85.7 | 0 | 0 | 0 | 112.7 | L244 S246 V269 P274 L279 I293 | L244-F296 HydrophobicContact CD1-CE2 4.33Å; L244-F296 HydrophobicContact CD1-CZ 4.02Å; L244-F296 HydrophobicContact CD2-CE2 4.02Å; L244-F296 HydrophobicContact CD2-CZ 4.19Å; L244-F296 HydrophobicContact CG-CE2 4.5Å; L244-F296 HydrophobicContact CG-CZ 4.21Å; S246-F296 WeakPolarHBondContact O-CE1 3.42Å; V269-F296 HydrophobicContact CB-CB 4.38Å; V269-F296 HydrophobicContact CB-CD1 3.93Å; V269-F296 HydrophobicContact CB-CE1 4.37Å; V269-F296 HydrophobicContact CB-CG 4.09Å; V269-F296 HydrophobicContact CG1-CB 4.21Å; V269-F296 HydrophobicContact CG1-CD1 3.75Å; V269-F296 HydrophobicContact CG1-CD2 3.73Å; V269-F296 HydrophobicContact CG1-CE1 3.97Å; V269-F296 HydrophobicContact CG1-CE2 3.95Å; V269-F296 HydrophobicContact CG1-CG 3.62Å; V269-F296 HydrophobicContact CG1-CZ 4.06Å; V269-F296 HydrophobicContact CG2-CD1 4.12Å; V269-F296 HydrophobicContact CG2-CE1 4.21Å; P274-F296 WeakPolarHBondContact CD-O 3.5Å; L279-F296 HydrophobicContact CD1-CD2 4.45Å; L279-F296 HydrophobicContact CD1-CE1 3.9Å; L279-F296 HydrophobicContact CD1-CE2 3.69Å; L279-F296 HydrophobicContact CD1-CZ 3.37Å; I293-F296 HydrophobicContact CD1-CE2 4.14Å |
| 297 | D | 93.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 24.4 Ų | 24.4 | 23% | 0.225 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -158.1 | -159 | -177.6 | 56.9 | 20.9 | 0 | 0 | 0 | 109.4 | T299 V338 | D297-T299 PolarHBondContact O-N 3.36Å; D297-T299 WeakPolarHBondContact OD1-CA 3.49Å; D297-T299 VanDerWaalsContact OD1-CB 3.27Å; D297-T299 WeakPolarHBondContact OD1-CB 3.44Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.38Å; D297-T299 PolarHBondContact OD1-N 3.37Å; D297-T299 PolarHBondContact OD1-OG1 3.45Å; D297-V338 PolarHBondContact O-N 3.08Å |
| 298 | G | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -75.8 | 15.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | H324 P336 | G298-H324 WeakPolarHBondContact O-CB 3.03Å; G298-P336 WeakPolarHBondContact CA-O 3.3Å; G298-P336 PolarHBondContact N-O 3.33Å; G298-P336 VanDerWaalsContact N-O 3.16Å |
| 299 | T | 95.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | trans | -108 | 151 | -179.1 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | D297 Q301 T320 H321 K322 I325 | D297-T299 PolarHBondContact O-N 3.36Å; D297-T299 WeakPolarHBondContact OD1-CA 3.49Å; D297-T299 VanDerWaalsContact OD1-CB 3.27Å; D297-T299 WeakPolarHBondContact OD1-CB 3.44Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.38Å; D297-T299 PolarHBondContact OD1-N 3.37Å; D297-T299 PolarHBondContact OD1-OG1 3.45Å; T299-Q301 PolarHBondContact OG1-NE2 2.87Å; T299-T320 HydrophobicContact CG2-CG2 4Å; T299-H321 WeakPolarHBondContact CA-O 3.44Å; T299-H321 WeakPolarHBondContact CB-O 3.39Å; T299-K322 HydrophobicContact CG2-CG 4.12Å; T299-I325 HydrophobicContact CG2-CD1 3.52Å | ||
| 300 | V | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.4 | 161.6 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | A292 T320 H321 V338 H341 L351 W363 | A292-V300 HydrophobicContact CB-CG1 4.2Å; V300-T320 CarbonylContact O-C 3.51Å; V300-T320 WeakPolarHBondContact O-CA 3.47Å; V300-H321 HydrophobicContact CB-CB 4.17Å; V300-H321 PolarHBondContact N-O 2.65Å; V300-H321 VanDerWaalsContact N-O 3.13Å; V300-H321 PolarHBondContact O-N 2.83Å; V300-V338 HydrophobicContact CG2-CG1 3.99Å; V300-V338 HydrophobicContact CG2-CG2 4.17Å; V300-H341 HydrophobicContact CG1-CB 4.34Å; V300-H341 HydrophobicContact CG2-CB 4.3Å; V300-L351 HydrophobicContact CG1-CD2 4.22Å; V300-W363 HydrophobicContact CB-CH2 4.42Å; V300-W363 HydrophobicContact CB-CZ2 3.86Å; V300-W363 HydrophobicContact CG1-CH2 4.27Å; V300-W363 HydrophobicContact CG1-CZ2 3.89Å; V300-W363 HydrophobicContact CG2-CZ2 4.4Å |
| 301 | Q | 96.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130 | -175.5 | -59 | 175.1 | 9.6 | 0 | 0 | 109.5 | A292 I293 T299 Y303 T320 | A292-Q301 CarbonylContact C-O 3.43Å; A292-Q301 VanDerWaalsContact CA-O 3.27Å; A292-Q301 WeakPolarHBondContact CA-O 3.44Å; I293-Q301 HydrophobicContact CD1-CB 4.48Å; I293-Q301 HydrophobicContact CG1-CB 3.92Å; I293-Q301 PolarHBondContact N-O 2.98Å; I293-Q301 PolarHBondContact O-N 2.9Å; T299-Q301 PolarHBondContact OG1-NE2 2.87Å; Q301-Y303 HydrophobicContact CB-CE2 3.64Å; Q301-Y303 PolarHBondContact OE1-OH 3.29Å; Q301-T320 HydrophobicContact CG-CG2 4.12Å |
| 302 | I | 96.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.4 | 178 | -62.3 | 163.2 | 0 | 0 | 0 | 108.7 | L291 A292 S317 L318 F319 W343 L351 W363 W365 | L291-I302 CarbonylContact O-C 3.57Å; L291-I302 WeakPolarHBondContact O-CA 3.47Å; A292-I302 HydrophobicContact CB-CG1 4.24Å; I302-S317 CarbonylContact O-C 3.57Å; I302-S317 WeakPolarHBondContact O-CA 2.94Å; I302-S317 WeakPolarHBondContact O-CB 3.18Å; I302-L318 HydrophobicContact CG2-CB 4.44Å; I302-L318 HydrophobicContact CG2-CD2 4.26Å; I302-L318 PolarHBondContact O-N 2.8Å; I302-F319 HydrophobicContact CB-CB 4.21Å; I302-F319 HydrophobicContact CD1-CB 4.13Å; I302-F319 HydrophobicContact CD1-CD1 4.05Å; I302-F319 HydrophobicContact CD1-CG 4.48Å; I302-F319 PolarHBondContact N-O 2.75Å; I302-F319 PolarHBondContact O-N 3.32Å; I302-W343 HydrophobicContact CD1-CH2 4.23Å; I302-W343 HydrophobicContact CG1-CH2 4.22Å; I302-W343 HydrophobicContact CG1-CZ2 4.48Å; I302-W343 HydrophobicContact CG2-CH2 4.14Å; I302-L351 HydrophobicContact CD1-CD1 4.03Å; I302-W363 HydrophobicContact CD1-CH2 3.52Å; I302-W363 HydrophobicContact CD1-CZ3 3.63Å; I302-W363 HydrophobicContact CG1-CH2 4.24Å; I302-W365 HydrophobicContact CD1-CD2 3.84Å; I302-W365 HydrophobicContact CD1-CE3 3.51Å; I302-W365 HydrophobicContact CD1-CH2 3.52Å; I302-W365 HydrophobicContact CD1-CZ2 3.81Å; I302-W365 HydrophobicContact CD1-CZ3 3.37Å; I302-W365 HydrophobicContact CG2-CH2 4.38Å; I302-W365 HydrophobicContact CG2-CZ2 4.22Å |
| 303 | Y | 94 | Very high | 85.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.8 | 179 | -66.4 | -87.3 | 0 | 0 | 0 | 110.6 | P268 C290 L291 I293 Q301 W308 V315 | P268-Y303 WeakPolarHBondContact CD-OH 3.45Å; C290-Y303 VanDerWaalsContact CA-O 3.24Å; C290-Y303 WeakPolarHBondContact CA-O 3.4Å; L291-Y303 HydrophobicContact CD1-CD2 4.11Å; L291-Y303 PolarHBondContact N-O 3.31Å; L291-Y303 PolarHBondContact O-N 3.28Å; I293-Y303 HydrophobicContact CD1-CD2 4.49Å; I293-Y303 HydrophobicContact CD1-CE2 3.61Å; I293-Y303 HydrophobicContact CG1-CD2 4.49Å; I293-Y303 HydrophobicContact CG1-CE2 3.84Å; Q301-Y303 HydrophobicContact CB-CE2 3.64Å; Q301-Y303 PolarHBondContact OE1-OH 3.29Å; Y303-W308 AromaticContact CD1-CZ2 3.98Å; Y303-W308 HydrophobicContact CD1-CZ2 3.98Å; Y303-W308 HydrophobicContact CG-CZ2 4.09Å; Y303-V315 HydrophobicContact CD1-CB 4.48Å; Y303-V315 HydrophobicContact CD1-CG2 3.99Å; Y303-V315 HydrophobicContact CE1-CB 4.37Å; Y303-V315 HydrophobicContact CE1-CG2 3.65Å |
| 304 | D | 91.3 | Very high | 84.9 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.6 | 158.3 | 177 | 1.9 | 0 | 0 | 0 | 108 | T306 W308 L318 | D304-T306 WeakPolarHBondContact OD1-CB 3.4Å; D304-T306 PolarHBondContact OD1-N 2.82Å; D304-T306 PolarHBondContact OD1-OG1 2.97Å; D304-W308 PolarHBondContact O-NE1 3.23Å; D304-L318 HydrophobicContact CB-CD2 4.41Å |
| 305 | V | 90.1 | Very high | 84.3 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | trans | -93.1 | 1.3 | -176.2 | -54.5 | 0 | 0 | 0 | 0 | 113.9 | L252 W283 N289 L291 S307 W308 | L252-V305 HydrophobicContact CD1-CB 3.56Å; L252-V305 HydrophobicContact CD1-CG1 3.77Å; L252-V305 HydrophobicContact CD1-CG2 3.79Å; L252-V305 HydrophobicContact CD2-CG1 4.46Å; W283-V305 HydrophobicContact CH2-CG2 4.07Å; W283-V305 HydrophobicContact CZ3-CG2 4.03Å; N289-V305 HydrophobicContact CB-CG2 3.88Å; N289-V305 VanDerWaalsContact O-CG2 3.24Å; N289-V305 WeakPolarHBondContact O-CG2 2.93Å; N289-V305 PolarHBondContact O-N 3.02Å; L291-V305 HydrophobicContact CD2-CG1 3.77Å; L291-V305 HydrophobicContact CG-CG1 4.15Å; V305-S307 PolarHBondContact O-N 3.31Å; V305-W308 HydrophobicContact CB-CD2 3.98Å; V305-W308 HydrophobicContact CB-CE3 4.25Å; V305-W308 HydrophobicContact CB-CG 4.31Å; V305-W308 HydrophobicContact CG1-CD2 4.03Å; V305-W308 HydrophobicContact CG1-CE3 4.1Å; V305-W308 HydrophobicContact CG1-CH2 3.83Å; V305-W308 HydrophobicContact CG1-CZ2 3.76Å; V305-W308 HydrophobicContact CG1-CZ3 4Å; V305-W308 PolarHBondContact O-N 2.88Å | ||
| 306 | T | 85.5 | Confident | 84 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -33.4 | -174.8 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | N289 D304 | N289-T306 VanDerWaalsContact CB-OG1 3.32Å; N289-T306 WeakPolarHBondContact CB-OG1 3.28Å; N289-T306 PolarHBondContact ND2-OG1 3.24Å; N289-T306 VanDerWaalsContact ND2-OG1 3.08Å; D304-T306 WeakPolarHBondContact OD1-CB 3.4Å; D304-T306 PolarHBondContact OD1-N 2.82Å; D304-T306 PolarHBondContact OD1-OG1 2.97Å |
| 307 | S | 72.8 | Confident | 83.8 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 3.8 | -174.9 | 60 | 0 | 0 | 0 | 0 | 114.6 | V305 D309 | V305-S307 PolarHBondContact O-N 3.31Å; S307-D309 PolarHBondContact O-N 3.02Å |
| 308 | W | 84.3 | Confident | 83.7 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | trans | -75.8 | 98 | -173.8 | -66 | 12.5 | 0 | 0 | 0 | 110.7 | L250 L252 S263 A265 Y303 D304 V305 G310 V315 | L250-W308 HydrophobicContact CB-CH2 4.43Å; L250-W308 HydrophobicContact CD2-CH2 3.55Å; L250-W308 HydrophobicContact CD2-CZ3 4.14Å; L250-W308 HydrophobicContact CG-CH2 3.93Å; L250-W308 HydrophobicContact CG-CZ3 4.02Å; L252-W308 HydrophobicContact CD1-CD2 4.41Å; L252-W308 HydrophobicContact CD1-CE3 3.57Å; L252-W308 HydrophobicContact CD1-CZ3 3.84Å; L252-W308 HydrophobicContact CD2-CZ3 4.3Å; L252-W308 HydrophobicContact CG-CE3 4.05Å; L252-W308 HydrophobicContact CG-CZ3 3.93Å; S263-W308 VanDerWaalsContact OG-CB 3.28Å; S263-W308 WeakPolarHBondContact OG-CB 3.4Å; S263-W308 PolarHBondContact OG-O 2.7Å; A265-W308 HydrophobicContact CB-CD2 4.12Å; A265-W308 HydrophobicContact CB-CE3 3.77Å; A265-W308 HydrophobicContact CB-CH2 3.78Å; A265-W308 HydrophobicContact CB-CZ2 4.12Å; A265-W308 HydrophobicContact CB-CZ3 3.6Å; Y303-W308 AromaticContact CD1-CZ2 3.98Å; Y303-W308 HydrophobicContact CD1-CZ2 3.98Å; Y303-W308 HydrophobicContact CG-CZ2 4.09Å; D304-W308 PolarHBondContact O-NE1 3.23Å; V305-W308 HydrophobicContact CB-CD2 3.98Å; V305-W308 HydrophobicContact CB-CE3 4.25Å; V305-W308 HydrophobicContact CB-CG 4.31Å; V305-W308 HydrophobicContact CG1-CD2 4.03Å; V305-W308 HydrophobicContact CG1-CE3 4.1Å; V305-W308 HydrophobicContact CG1-CH2 3.83Å; V305-W308 HydrophobicContact CG1-CZ2 3.76Å; V305-W308 HydrophobicContact CG1-CZ3 4Å; V305-W308 PolarHBondContact O-N 2.88Å; W308-G310 PolarHBondContact O-N 3.5Å; W308-V315 HydrophobicContact CD2-CG1 4.37Å; W308-V315 HydrophobicContact CZ2-CB 4.35Å; W308-V315 HydrophobicContact CZ2-CG1 4.27Å; W308-V315 HydrophobicContact CZ2-CG2 4.01Å | ||
| 309 | D | 67.1 | Low | 83.7 | Confident | 111 Ų | 111 | 62.3 Ų | 62.3 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | trans | -73.3 | 18 | -169.1 | 74.5 | -10.4 | 0 | 0 | 0 | 115.9 | S307 K311 | S307-D309 PolarHBondContact O-N 3.02Å; D309-K311 PolarHBondContact O-N 3.18Å; D309-K311 PolarHBondContact OD1-N 2.83Å | ||
| 310 | G | 61.6 | Low | 83.7 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 73.8 | 0.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | W308 | W308-G310 PolarHBondContact O-N 3.5Š|
| 311 | K | 60 | Low | 83.6 | Confident | 151 Ų | 151 | 63.4 Ų | 63.4 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -95 | 139.1 | 169.7 | -68.1 | 177.8 | -178.5 | 170.5 | 0 | 109.5 | D309 S313 | D309-K311 PolarHBondContact O-N 3.18Å; D309-K311 PolarHBondContact OD1-N 2.83Å; K311-S313 PolarHBondContact O-N 2.82Å; K311-S313 PolarHBondContact O-OG 3.42Å |
| 312 | K | 62.8 | Low | 83.4 | Confident | 166 Ų | 166 | 67.7 Ų | 67.7 | 72% | 0.722 | 36% | 0.358 | S | S | * | . | trans | -58.8 | 87.9 | 169.2 | -72.7 | -170.6 | 179.8 | -170.1 | 0 | 109.1 | ||||
| 313 | S | 69.1 | Low | 83 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 149.1 | 173.1 | 52.1 | 0 | 0 | 0 | 0 | 108.1 | Q266 K311 V315 | Q266-S313 PolarHBondContact N-O 2.83Å; K311-S313 PolarHBondContact O-N 2.82Å; K311-S313 PolarHBondContact O-OG 3.42Å; S313-V315 PolarHBondContact O-N 3.38Å |
| 314 | Q | 79.8 | Confident | 82.9 | Confident | 169 Ų | 169 | 67.8 Ų | 67.8 | 79% | 0.79 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 131.7 | 162.3 | -77.1 | -175.5 | -34.8 | 0 | 0 | 107.4 | ||
| 315 | V | 87 | Confident | 82.7 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | trans | -109.4 | 140.7 | -179.3 | -70.6 | 0 | 0 | 0 | 0 | 109.9 | A265 Q266 P268 Y303 W308 S313 | A265-V315 HydrophobicContact CB-CB 4.25Å; A265-V315 HydrophobicContact CB-CG1 3.53Å; A265-V315 HydrophobicContact CB-CG2 3.67Å; Q266-V315 PolarHBondContact O-N 3.1Å; P268-V315 WeakPolarHBondContact CD-O 3.35Å; Y303-V315 HydrophobicContact CD1-CB 4.48Å; Y303-V315 HydrophobicContact CD1-CG2 3.99Å; Y303-V315 HydrophobicContact CE1-CB 4.37Å; Y303-V315 HydrophobicContact CE1-CG2 3.65Å; W308-V315 HydrophobicContact CD2-CG1 4.37Å; W308-V315 HydrophobicContact CZ2-CB 4.35Å; W308-V315 HydrophobicContact CZ2-CG1 4.27Å; W308-V315 HydrophobicContact CZ2-CG2 4.01Å; S313-V315 PolarHBondContact O-N 3.38Å | ||
| 316 | E | 88.3 | Confident | 82 | Confident | 183 Ų | 183 | 69.3 Ų | 69.3 | 86% | 0.855 | 37% | 0.366 | S | S | * | . | trans | -87.6 | 140.3 | 172 | -67.1 | -174 | 169.1 | 0 | 0 | 109.7 | ||||
| 317 | S | 91.9 | Very high | 80.9 | Confident | 35 Ų | 35 | 69 Ų | 69 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | trans | -68.5 | 137.4 | 173.5 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | I302 F319 T320 | I302-S317 CarbonylContact O-C 3.57Å; I302-S317 WeakPolarHBondContact O-CA 2.94Å; I302-S317 WeakPolarHBondContact O-CB 3.18Å; S317-F319 PolarHBondContact O-N 3.4Å; S317-T320 PolarHBondContact OG-OG1 2.65Å | ||
| 318 | L | 92.4 | Very high | 80.1 | Confident | 63 Ų | 63 | 68.1 Ų | 68.1 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -58.5 | -38.7 | 166 | 177.7 | 65.5 | 0 | 0 | 0 | 110.9 | I302 D304 | I302-L318 HydrophobicContact CG2-CB 4.44Å; I302-L318 HydrophobicContact CG2-CD2 4.26Å; I302-L318 PolarHBondContact O-N 2.8Å; D304-L318 HydrophobicContact CB-CD2 4.41Å |
| 319 | F | 94.1 | Very high | 78.5 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 146.5 | 177.7 | -174.3 | -95 | 0 | 0 | 0 | 110.6 | L14 Y15 I302 S317 H321 W363 W365 | L14-F319 HydrophobicContact CB-CE2 4.07Å; L14-F319 HydrophobicContact CB-CZ 4.45Å; L14-F319 HydrophobicContact CD2-CE2 4.4Å; Y15-F319 HydrophobicContact CD1-CZ 4.11Å; Y15-F319 AromaticContact CE1-CE1 3.78Å; Y15-F319 HydrophobicContact CE1-CE1 3.78Å; Y15-F319 AromaticContact CE1-CZ 3.44Å; Y15-F319 HydrophobicContact CE1-CZ 3.44Å; Y15-F319 VanDerWaalsContact CE1-CZ 3.44Å; Y15-F319 HydrophobicContact CE2-CZ 4.36Å; Y15-F319 AromaticContact CZ-CZ 3.57Å; I302-F319 HydrophobicContact CB-CB 4.21Å; I302-F319 HydrophobicContact CD1-CB 4.13Å; I302-F319 HydrophobicContact CD1-CD1 4.05Å; I302-F319 HydrophobicContact CD1-CG 4.48Å; I302-F319 PolarHBondContact N-O 2.75Å; I302-F319 PolarHBondContact O-N 3.32Å; S317-F319 PolarHBondContact O-N 3.4Å; F319-H321 HydrophobicContact CE1-CB 4.06Å; F319-W363 HydrophobicContact CD1-CE3 4.47Å; F319-W363 HydrophobicContact CD1-CH2 4.17Å; F319-W363 AromaticContact CD1-CZ3 3.62Å; F319-W363 HydrophobicContact CD1-CZ3 3.62Å; F319-W363 AromaticContact CE1-CE3 3.9Å; F319-W363 HydrophobicContact CE1-CE3 3.9Å; F319-W363 HydrophobicContact CE1-CH2 4.22Å; F319-W363 AromaticContact CE1-CZ3 3.47Å; F319-W363 HydrophobicContact CE1-CZ3 3.47Å; F319-W363 VanDerWaalsContact CE1-CZ3 3.47Å; F319-W365 HydrophobicContact CB-CG 4.33Å; F319-W365 HydrophobicContact CD1-CB 4.12Å; F319-W365 HydrophobicContact CD1-CD2 4.49Å; F319-W365 HydrophobicContact CD1-CG 4.12Å; F319-W365 HydrophobicContact CD2-CB 3.8Å; F319-W365 AromaticContact CD2-CD1 3.67Å; F319-W365 AromaticContact CD2-CG 3.83Å; F319-W365 HydrophobicContact CD2-CG 3.83Å; F319-W365 HydrophobicContact CE1-CB 3.89Å; F319-W365 HydrophobicContact CE1-CG 4.39Å; F319-W365 HydrophobicContact CE2-CB 3.56Å; F319-W365 HydrophobicContact CE2-CG 4.13Å; F319-W365 HydrophobicContact CG-CB 4.07Å; F319-W365 AromaticContact CG-CD1 3.83Å; F319-W365 HydrophobicContact CG-CD2 4.39Å; F319-W365 AromaticContact CG-CG 3.82Å; F319-W365 HydrophobicContact CG-CG 3.82Å; F319-W365 HydrophobicContact CZ-CB 3.6Å; F319-W365 HydrophobicContact CZ-CG 4.39Å |
| 320 | T | 94.6 | Very high | 77.6 | Confident | 34 Ų | 34 | 70 Ų | 70 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 113.6 | 172 | -66.6 | 0 | 0 | 0 | 0 | 110 | T299 V300 Q301 S317 K322 | T299-T320 HydrophobicContact CG2-CG2 4Å; V300-T320 CarbonylContact O-C 3.51Å; V300-T320 WeakPolarHBondContact O-CA 3.47Å; Q301-T320 HydrophobicContact CG-CG2 4.12Å; S317-T320 PolarHBondContact OG-OG1 2.65Å; T320-K322 HydrophobicContact CG2-CG 3.85Å |
| 321 | H | 95 | Very high | 76.9 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.6 | 169 | 178.6 | 69.1 | 0 | 0 | 0 | 109.8 | Y15 F18 T299 V300 F319 G323 H324 H361 W363 | Y15-H321 AromaticContact CE1-ND1 3.63Å; Y15-H321 AromaticContact CZ-ND1 3.5Å; Y15-H321 WeakPolarHBondContact OH-CA 3.49Å; Y15-H321 PolarHBondContact OH-ND1 3.47Å; F18-H321 AromaticContact CE2-CE1 3.74Å; T299-H321 WeakPolarHBondContact CA-O 3.44Å; T299-H321 WeakPolarHBondContact CB-O 3.39Å; V300-H321 HydrophobicContact CB-CB 4.17Å; V300-H321 PolarHBondContact N-O 2.65Å; V300-H321 VanDerWaalsContact N-O 3.13Å; V300-H321 PolarHBondContact O-N 2.83Å; F319-H321 HydrophobicContact CE1-CB 4.06Å; H321-G323 PolarHBondContact CE1-N 2.95Å; H321-G323 PolarHBondContact NE2-N 3.04Å; H321-H324 AromaticContact CD2-CD2 3.84Å; H321-H324 AromaticContact NE2-CD2 3.74Å; H321-H324 AromaticContact NE2-NE2 3.94Å; H321-H361 AromaticContact CE1-ND1 3.65Å; H321-H361 AromaticContact NE2-CG 3.93Å; H321-H361 AromaticContact NE2-ND1 3.06Å; H321-H361 PolarHBondContact NE2-ND1 2.96Å; H321-W363 HydrophobicContact CB-CD2 4.19Å; H321-W363 HydrophobicContact CB-CE3 4.36Å; H321-W363 HydrophobicContact CB-CH2 3.74Å; H321-W363 HydrophobicContact CB-CZ2 3.56Å; H321-W363 HydrophobicContact CB-CZ3 4.15Å; H321-W363 AromaticContact CD2-NE1 3.8Å; H321-W363 AromaticContact CE1-CD1 3.86Å; H321-W363 AromaticContact CG-CE2 3.67Å; H321-W363 AromaticContact CG-CZ2 3.97Å; H321-W363 AromaticContact CG-NE1 3.8Å; H321-W363 AromaticContact ND1-CD1 3.96Å; H321-W363 AromaticContact ND1-CD2 3.89Å; H321-W363 AromaticContact ND1-CE2 4Å; H321-W363 AromaticContact ND1-CG 3.88Å |
| 322 | K | 92.4 | Very high | 76.6 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | trans | -118.3 | 11.6 | 179.1 | -59.7 | -177.6 | -179.7 | 172.5 | 0 | 113.3 | T299 T320 H324 I325 L326 | T299-K322 HydrophobicContact CG2-CG 4.12Å; T320-K322 HydrophobicContact CG2-CG 3.85Å; K322-H324 VanDerWaalsContact C-N 3.26Å; K322-H324 PolarHBondContact O-N 3.41Å; K322-I325 PolarHBondContact O-N 2.96Å; K322-L326 HydrophobicContact CB-CD1 3.66Å; K322-L326 HydrophobicContact CB-CG 4.48Å; K322-L326 HydrophobicContact CD-CD1 4.22Å; K322-L326 PolarHBondContact O-N 3.18Å | ||
| 323 | G | 89.1 | Confident | 76.2 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.8 | -36.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H321 I325 L326 L327 | H321-G323 PolarHBondContact CE1-N 2.95Å; H321-G323 PolarHBondContact NE2-N 3.04Å; G323-I325 VanDerWaalsContact C-N 3.26Å; G323-I325 PolarHBondContact O-N 3.2Å; G323-L326 PolarHBondContact O-N 2.53Å; G323-L327 WeakPolarHBondContact O-CB 3.13Å; G323-L327 WeakPolarHBondContact O-CG 3.3Å; G323-L327 PolarHBondContact O-N 3.47Å |
| 324 | H | 91.6 | Very high | 76.3 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.009 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.4 | -24.4 | 179 | -59.4 | -74.9 | 0 | 0 | 0 | 112.7 | G298 H321 K322 P336 S353 A355 S359 H361 | G298-H324 WeakPolarHBondContact O-CB 3.03Å; H321-H324 AromaticContact CD2-CD2 3.84Å; H321-H324 AromaticContact NE2-CD2 3.74Å; H321-H324 AromaticContact NE2-NE2 3.94Å; K322-H324 VanDerWaalsContact C-N 3.26Å; K322-H324 PolarHBondContact O-N 3.41Å; H324-P336 HydrophobicContact CB-CG 4.33Å; H324-P336 WeakPolarHBondContact O-CG 3.01Å; H324-S353 PolarHBondContact CE1-O 2.92Å; H324-S353 WeakPolarHBondContact NE2-CB 3.46Å; H324-S353 PolarHBondContact NE2-OG 2.87Å; H324-A355 HydrophobicContact CB-CB 4.17Å; H324-A355 WeakPolarHBondContact ND1-CB 3.33Å; H324-S359 PolarHBondContact ND1-OG 2.82Å; H324-H361 AromaticContact CD2-ND1 3.74Å; H324-H361 AromaticContact CE1-CD2 3.9Å; H324-H361 AromaticContact CE1-CE1 3.59Å; H324-H361 AromaticContact CE1-CG 3.47Å; H324-H361 VanDerWaalsContact CE1-CG 3.47Å; H324-H361 AromaticContact CE1-ND1 3.28Å; H324-H361 PolarHBondContact CE1-ND1 3.27Å; H324-H361 VanDerWaalsContact CE1-ND1 3.28Å; H324-H361 AromaticContact CE1-NE2 3.98Å; H324-H361 AromaticContact CG-CE1 3.67Å; H324-H361 AromaticContact CG-ND1 3.71Å; H324-H361 PolarHBondContact N-CE1 2.72Å; H324-H361 AromaticContact ND1-CE1 3.27Å; H324-H361 PolarHBondContact ND1-CE1 3.3Å; H324-H361 VanDerWaalsContact ND1-CE1 3.27Å; H324-H361 AromaticContact ND1-CG 3.97Å; H324-H361 AromaticContact ND1-ND1 3.42Å; H324-H361 PolarHBondContact ND1-ND1 3.21Å; H324-H361 AromaticContact ND1-NE2 3.77Å; H324-H361 AromaticContact NE2-CG 3.85Å; H324-H361 AromaticContact NE2-ND1 3.47Å; H324-H361 PolarHBondContact NE2-ND1 2.79Å |
| 325 | I | 86.3 | Confident | 76.3 | Confident | 54 Ų | 54 | 73.5 Ų | 73.5 | 28% | 0.277 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -83.7 | -37.2 | 179.5 | -58 | 179.2 | 0 | 0 | 0 | 111.5 | T299 K322 G323 T335 | T299-I325 HydrophobicContact CG2-CD1 3.52Å; K322-I325 PolarHBondContact O-N 2.96Å; G323-I325 VanDerWaalsContact C-N 3.26Å; G323-I325 PolarHBondContact O-N 3.2Å; I325-T335 HydrophobicContact CB-CG2 4.25Å; I325-T335 HydrophobicContact CD1-CG2 4.33Å; I325-T335 HydrophobicContact CG1-CG2 3.76Å; I325-T335 HydrophobicContact CG2-CG2 3.98Å |
| 326 | L | 75.4 | Confident | 76.5 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -103.5 | -10 | -160.4 | -66.5 | 165.4 | 0 | 0 | 0 | 114 | W7 K322 G323 | W7-L326 HydrophobicContact CB-CB 4.29Å; W7-L326 HydrophobicContact CB-CD1 3.78Å; W7-L326 HydrophobicContact CB-CG 4.45Å; W7-L326 HydrophobicContact CD2-CB 3.77Å; W7-L326 HydrophobicContact CD2-CD1 3.81Å; W7-L326 HydrophobicContact CD2-CG 4.42Å; W7-L326 HydrophobicContact CE3-CB 3.93Å; W7-L326 HydrophobicContact CG-CB 3.93Å; W7-L326 HydrophobicContact CG-CD1 3.27Å; W7-L326 HydrophobicContact CG-CG 4.15Å; K322-L326 HydrophobicContact CB-CD1 3.66Å; K322-L326 HydrophobicContact CB-CG 4.48Å; K322-L326 HydrophobicContact CD-CD1 4.22Å; K322-L326 PolarHBondContact O-N 3.18Å; G323-L326 PolarHBondContact O-N 2.53Å |
| 327 | L | 62.3 | Low | 76.8 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 45% | 0.45 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -84.1 | -20 | 173 | -72.6 | 175.8 | 0 | 0 | 0 | 113.1 | W7 F18 A20 G323 G329 | W7-L327 HydrophobicContact CH2-CG 4.42Å; W7-L327 HydrophobicContact CZ3-CD2 3.88Å; W7-L327 HydrophobicContact CZ3-CG 4.05Å; F18-L327 HydrophobicContact CE1-CD1 4Å; F18-L327 HydrophobicContact CZ-CD1 3.66Å; A20-L327 HydrophobicContact CB-CD1 3.82Å; G323-L327 WeakPolarHBondContact O-CB 3.13Å; G323-L327 WeakPolarHBondContact O-CG 3.3Å; G323-L327 PolarHBondContact O-N 3.47Å; L327-G329 PolarHBondContact O-N 2.61Å |
| 328 | D | 56.5 | Low | 77.1 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 42% | 0.422 | 36% | 0.362 | S | S | . | . | trans | -90.3 | 100.7 | -177.9 | -137.1 | -2.9 | 0 | 0 | 0 | 110.3 | N330 | D328-N330 PolarHBondContact O-N 2.87Š| ||
| 329 | G | 50.9 | Low | 77.4 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 76% | 0.763 | 35% | 0.346 | S | S | * | . | trans | -76.4 | 8.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L327 | L327-G329 PolarHBondContact O-N 2.61Š| ||
| 330 | N | 47.3 | Very low | 77.6 | Confident | 105 Ų | 105 | 60.6 Ų | 60.6 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | trans | -102.1 | 107.8 | -175.9 | -106.9 | -8.8 | 0 | 0 | 0 | 111.2 | D328 I332 | D328-N330 PolarHBondContact O-N 2.87Å; N330-I332 PolarHBondContact O-N 3.19Å | ||
| 331 | E | 48.6 | Very low | 77.7 | Confident | 194 Ų | 194 | 59.4 Ų | 59.4 | 91% | 0.907 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 0.6 | 175.8 | -67.1 | -176.2 | 161.2 | 0 | 0 | 114.4 | ||
| 332 | I | 52.1 | Low | 77.9 | Confident | 152 Ų | 152 | 60.7 Ų | 60.7 | 78% | 0.779 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -23.8 | -167.2 | -55.1 | 175.9 | 0 | 0 | 0 | 112.6 | N330 | N330-I332 PolarHBondContact O-N 3.19Š|
| 333 | D | 55.9 | Low | 78.1 | Confident | 126 Ų | 126 | 56.5 Ų | 56.5 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -97.9 | 147.1 | 177.2 | -93.3 | -36.5 | 0 | 0 | 0 | 112.3 | T335 | D333-T335 PolarHBondContact O-N 2.96Š|
| 334 | A | 69.8 | Low | 78.3 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 76% | 0.76 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 134 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 335 | T | 81.7 | Confident | 78.3 | Confident | 90 Ų | 90 | 59 Ų | 59 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -46.9 | 127.5 | 179 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | I325 D333 | I325-T335 HydrophobicContact CB-CG2 4.25Å; I325-T335 HydrophobicContact CD1-CG2 4.33Å; I325-T335 HydrophobicContact CG1-CG2 3.76Å; I325-T335 HydrophobicContact CG2-CG2 3.98Å; D333-T335 PolarHBondContact O-N 2.96Å |
| 336 | P | 90.8 | Very high | 78.4 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 5% | 0.045 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 142 | -175.3 | 26.4 | -35.6 | 0 | 0 | 0 | 110.4 | G298 H324 A355 D357 | G298-P336 WeakPolarHBondContact CA-O 3.3Å; G298-P336 PolarHBondContact N-O 3.33Å; G298-P336 VanDerWaalsContact N-O 3.16Å; H324-P336 HydrophobicContact CB-CG 4.33Å; H324-P336 WeakPolarHBondContact O-CG 3.01Å; P336-A355 HydrophobicContact CB-CB 4.19Å; P336-D357 HydrophobicContact CB-CB 3.92Å; P336-D357 WeakPolarHBondContact CB-OD2 3.31Å; P336-D357 WeakPolarHBondContact CG-OD2 3.27Å |
| 337 | L | 94.6 | Very high | 79.1 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -97.5 | 127.6 | -178.8 | 179.6 | 62.4 | 0 | 0 | 0 | 109 | P274 D275 L278 T339 A355 S356 | P274-L337 HydrophobicContact CG-CD1 3.95Å; P274-L337 HydrophobicContact CG-CD2 3.74Å; D275-L337 HydrophobicContact CB-CD2 4.34Å; L278-L337 HydrophobicContact CD1-CD2 3.51Å; L278-L337 HydrophobicContact CD1-CG 4.06Å; L337-T339 PolarHBondContact O-N 3.18Å; L337-T339 VanDerWaalsContact O-N 3.15Å; L337-A355 CarbonylContact O-C 3.56Å; L337-A355 VanDerWaalsContact O-CA 3.25Å; L337-A355 WeakPolarHBondContact O-CA 3.36Å; L337-A355 WeakPolarHBondContact O-CB 3.03Å; L337-S356 PolarHBondContact N-OG 2.96Å; L337-S356 PolarHBondContact O-N 3.48Å |
| 338 | V | 97.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 119.1 | 172.2 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | D297 V300 A354 | D297-V338 PolarHBondContact O-N 3.08Å; V300-V338 HydrophobicContact CG2-CG1 3.99Å; V300-V338 HydrophobicContact CG2-CG2 4.17Å; V338-A354 CarbonylContact C-O 3.56Å; V338-A354 WeakPolarHBondContact CA-O 3.36Å; V338-A354 WeakPolarHBondContact CG1-O 3.41Å |
| 339 | T | 97.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -30.6 | -177.3 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | T27 R28 L278 L337 A354 | T27-T339 VanDerWaalsContact O-CB 3.25Å; T27-T339 WeakPolarHBondContact O-CB 3.5Å; T27-T339 PolarHBondContact O-OG1 3.15Å; R28-T339 HydrophobicContact CG-CG2 4.48Å; L278-T339 HydrophobicContact CD1-CG2 4.13Å; L278-T339 HydrophobicContact CD2-CG2 4.36Å; L337-T339 PolarHBondContact O-N 3.18Å; L337-T339 VanDerWaalsContact O-N 3.15Å; T339-A354 PolarHBondContact N-O 3.11Å; T339-A354 PolarHBondContact OG1-O 2.87Å; T339-A354 VanDerWaalsContact OG1-O 3.05Å |
| 340 | T | 98.3 | Very high | 84.1 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 158.6 | 177.6 | -172 | 0 | 0 | 0 | 0 | 111.4 | R28 L30 S353 A354 | R28-T340 VanDerWaalsContact C-CG2 3.48Å; L30-T340 HydrophobicContact CB-CG2 4.42Å; L30-T340 HydrophobicContact CD1-CG2 3.67Å; L30-T340 HydrophobicContact CG-CG2 3.64Å; T340-S353 WeakPolarHBondContact O-CA 3.21Å; T340-A354 HydrophobicContact CG2-CB 4.13Å; T340-A354 PolarHBondContact O-N 3.11Å |
| 341 | H | 98.5 | Very high | 86.4 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159 | 168.1 | 69.7 | -90.1 | 0 | 0 | 0 | 110.3 | S282 A292 S294 V300 L352 | S282-H341 PolarHBondContact OG-CD2 3.03Å; S282-H341 VanDerWaalsContact OG-CD2 3.25Å; S282-H341 PolarHBondContact OG-NE2 2.63Å; A292-H341 WeakPolarHBondContact CB-NE2 3.35Å; A292-H341 PolarHBondContact O-NE2 2.92Å; S294-H341 WeakPolarHBondContact CB-ND1 3.35Å; S294-H341 PolarHBondContact OG-ND1 3.16Å; V300-H341 HydrophobicContact CG1-CB 4.34Å; V300-H341 HydrophobicContact CG2-CB 4.3Å; H341-L352 CarbonylContact C-O 3.57Å; H341-L352 WeakPolarHBondContact CA-O 3.39Å |
| 342 | T | 97.6 | Very high | 88.7 | Confident | 27 Ų | 27 | 39.2 Ų | 39.2 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 145 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 111 | L30 W32 L351 L352 | L30-T342 HydrophobicContact CB-CG2 3.51Å; L30-T342 HydrophobicContact CD1-CG2 4.04Å; L30-T342 HydrophobicContact CG-CG2 4.38Å; W32-T342 HydrophobicContact CZ2-CG2 4.28Å; W32-T342 PolarHBondContact NE1-OG1 3.29Å; T342-L351 WeakPolarHBondContact O-CA 3.44Å; T342-L352 HydrophobicContact CG2-CB 3.91Å; T342-L352 PolarHBondContact N-O 2.99Å; T342-L352 PolarHBondContact O-N 3.32Å |
| 343 | W | 96.5 | Very high | 90.9 | Very high | 11 Ų | 11 | 32 Ų | 32 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 140.1 | 175.2 | -68.5 | 94.3 | 0 | 0 | 0 | 111.1 | W32 S282 W283 A284 P285 L287 A292 I302 P348 L351 W365 | W32-W343 PolarHBondContact NE1-O 3.27Å; S282-W343 PolarHBondContact O-NE1 3.12Å; S282-W343 VanDerWaalsContact O-NE1 3.09Å; S282-W343 PolarHBondContact OG-NE1 3.3Å; W283-W343 VanDerWaalsContact O-CD1 3.3Å; A284-W343 HydrophobicContact CB-CD2 3.87Å; A284-W343 HydrophobicContact CB-CE3 3.88Å; A284-W343 HydrophobicContact CB-CH2 3.69Å; A284-W343 HydrophobicContact CB-CZ2 3.67Å; A284-W343 HydrophobicContact CB-CZ3 3.77Å; P285-W343 HydrophobicContact CG-CB 3.84Å; L287-W343 HydrophobicContact CD1-CZ3 4.3Å; A292-W343 HydrophobicContact CB-CZ2 3.61Å; I302-W343 HydrophobicContact CD1-CH2 4.23Å; I302-W343 HydrophobicContact CG1-CH2 4.22Å; I302-W343 HydrophobicContact CG1-CZ2 4.48Å; I302-W343 HydrophobicContact CG2-CH2 4.14Å; W343-P348 WeakPolarHBondContact CZ3-O 3.49Å; W343-L351 HydrophobicContact CD2-CD1 4.24Å; W343-L351 HydrophobicContact CD2-CD2 4.13Å; W343-L351 HydrophobicContact CD2-CG 4Å; W343-L351 HydrophobicContact CE3-CD1 3.64Å; W343-L351 HydrophobicContact CE3-CD2 4.35Å; W343-L351 HydrophobicContact CE3-CG 3.85Å; W343-L351 HydrophobicContact CH2-CD1 3.93Å; W343-L351 HydrophobicContact CH2-CD2 4.47Å; W343-L351 HydrophobicContact CZ2-CD1 4.49Å; W343-L351 HydrophobicContact CZ2-CD2 4.25Å; W343-L351 HydrophobicContact CZ3-CD1 3.48Å; W343-L351 VanDerWaalsContact CZ3-CD1 3.48Å; W343-L351 HydrophobicContact CZ3-CG 4.15Å; W343-W365 AromaticContact CH2-CH2 3.58Å; W343-W365 HydrophobicContact CH2-CH2 3.58Å; W343-W365 HydrophobicContact CH2-CZ3 4.04Å; W343-W365 AromaticContact CZ3-CH2 3.42Å; W343-W365 HydrophobicContact CZ3-CH2 3.42Å; W343-W365 VanDerWaalsContact CZ3-CH2 3.42Å; W343-W365 AromaticContact CZ3-CZ3 3.66Å; W343-W365 HydrophobicContact CZ3-CZ3 3.66Å |
| 344 | H | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -64.6 | 133.1 | 170 | -172.8 | -73.5 | 0 | 0 | 0 | 110.1 | W32 E35 C346 K347 T350 | W32-H344 HydrophobicContact CH2-CB 4.33Å; W32-H344 AromaticContact CH2-CD2 3.47Å; W32-H344 VanDerWaalsContact CH2-CD2 3.47Å; W32-H344 WeakPolarHBondContact CH2-CD2 3.46Å; W32-H344 HydrophobicContact CZ2-CB 4.05Å; W32-H344 AromaticContact CZ3-CD2 3.96Å; E35-H344 PolarHBondContact O-NE2 3.06Å; E35-H344 VanDerWaalsContact O-NE2 3.09Å; H344-C346 VanDerWaalsContact C-N 3.26Å; H344-C346 PolarHBondContact ND1-N 3.28Å; H344-C346 PolarHBondContact O-N 3.39Å; H344-K347 HydrophobicContact CB-CB 4.04Å; H344-K347 PolarHBondContact ND1-N 3.29Å; H344-T350 HydrophobicContact CB-CG2 3.99Å; H344-T350 WeakPolarHBondContact CB-O 3.36Å; H344-T350 PolarHBondContact N-O 2.74Å | ||
| 345 | P | 91 | Very high | 94.3 | Very high | 54 Ų | 54 | 21.6 Ų | 21.6 | 35% | 0.351 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -63.7 | -29.3 | -171.7 | 22 | -33.5 | 0 | 0 | 0 | 113.9 | W32 G34 | W32-P345 HydrophobicContact CD2-CG 4.3Å; W32-P345 HydrophobicContact CE3-CG 4.42Å; W32-P345 HydrophobicContact CG-CG 4.39Å; G34-P345 WeakPolarHBondContact O-CG 3.26Å |
| 346 | C | 88.4 | Confident | 94.9 | Very high | 59 Ų | 59 | 20 Ų | 20 | 40% | 0.399 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -122.9 | -0.6 | -175 | -56.2 | 0 | 0 | 0 | 0 | 115.6 | E35 V62 H344 | E35-C346 VanDerWaalsContact CD-SG 3.56Å; E35-C346 VanDerWaalsContact CG-SG 3.56Å; E35-C346 PolarHBondContact OE1-SG 3.09Å; V62-C346 HydrophobicContact CG2-CB 4.14Å; H344-C346 VanDerWaalsContact C-N 3.26Å; H344-C346 PolarHBondContact ND1-N 3.28Å; H344-C346 PolarHBondContact O-N 3.39Å |
| 347 | K | 89.9 | Confident | 95 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 12% | 0.117 | 13% | 0.128 | C | C | . | . | trans | -118.3 | 102.4 | -179.5 | -71.6 | -170.7 | 169.4 | -170.5 | 0 | 107.5 | L60 V62 H344 R349 T350 | L60-K347 WeakPolarHBondContact O-CE 3.45Å; L60-K347 PolarHBondContact O-NZ 3.41Å; V62-K347 HydrophobicContact CG2-CD 4.44Å; V62-K347 HydrophobicContact CG2-CG 3.94Å; H344-K347 HydrophobicContact CB-CB 4.04Å; H344-K347 PolarHBondContact ND1-N 3.29Å; K347-R349 PolarHBondContact O-N 3.2Å; K347-T350 WeakPolarHBondContact CB-OG1 3.41Å; K347-T350 VanDerWaalsContact CD-OG1 3.29Å; K347-T350 WeakPolarHBondContact CD-OG1 2.97Å; K347-T350 PolarHBondContact O-N 3.19Å; K347-T350 VanDerWaalsContact O-N 3.08Å | ||
| 348 | P | 89.9 | Confident | 95.1 | Very high | 52 Ų | 52 | 22 Ų | 22 | 34% | 0.338 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -31.7 | -168.8 | -30.8 | 36.2 | 0 | 0 | 0 | 114.9 | G286 L287 W343 | G286-P348 WeakPolarHBondContact O-CB 3.41Å; L287-P348 WeakPolarHBondContact CD1-O 3.3Å; L287-P348 HydrophobicContact CD2-CB 3.63Å; L287-P348 HydrophobicContact CG-CB 3.74Å; L287-P348 WeakPolarHBondContact CG-O 3.36Å; W343-P348 WeakPolarHBondContact CZ3-O 3.49Å |
| 349 | R | 92.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 22.2 Ų | 22.2 | 30% | 0.298 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 11.9 | -176.4 | -66.5 | -173.9 | -177.5 | 97.2 | 1.8 | 114.4 | L287 K347 D364 W365 D367 | L287-R349 HydrophobicContact CD1-CG 3.98Å; L287-R349 HydrophobicContact CD2-CG 4.44Å; K347-R349 PolarHBondContact O-N 3.2Å; R349-D364 VanDerWaalsContact O-CA 3.27Å; R349-D364 WeakPolarHBondContact O-CA 3.23Å; R349-W365 HydrophobicContact CB-CD2 4.1Å; R349-W365 HydrophobicContact CB-CE3 3.89Å; R349-W365 HydrophobicContact CB-CH2 3.95Å; R349-W365 HydrophobicContact CB-CZ2 4.19Å; R349-W365 HydrophobicContact CB-CZ3 3.78Å; R349-W365 WeakPolarHBondContact CD-O 3.23Å; R349-W365 HydrophobicContact CG-CD2 4.39Å; R349-W365 HydrophobicContact CG-CE3 4.5Å; R349-W365 HydrophobicContact CG-CH2 3.86Å; R349-W365 HydrophobicContact CG-CZ2 3.77Å; R349-W365 HydrophobicContact CG-CZ3 4.22Å; R349-W365 WeakPolarHBondContact O-CZ3 3.47Å; R349-W365 PolarHBondContact O-N 2.96Å; R349-D367 IonicContact CZ-OD2 2.76Å; R349-D367 IonicContact NE-OD2 2.72Å; R349-D367 IonicContact NH2-OD2 3.96Å; R349-D367 PolarHBondContact NH2-OD2 2.93Å |
| 350 | T | 93.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.8 | 177.8 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | H344 K347 V362 W363 D364 | H344-T350 HydrophobicContact CB-CG2 3.99Å; H344-T350 WeakPolarHBondContact CB-O 3.36Å; H344-T350 PolarHBondContact N-O 2.74Å; K347-T350 WeakPolarHBondContact CB-OG1 3.41Å; K347-T350 VanDerWaalsContact CD-OG1 3.29Å; K347-T350 WeakPolarHBondContact CD-OG1 2.97Å; K347-T350 PolarHBondContact O-N 3.19Å; K347-T350 VanDerWaalsContact O-N 3.08Å; T350-V362 HydrophobicContact CG2-CG1 3.92Å; T350-W363 CarbonylContact C-O 3.59Å; T350-W363 VanDerWaalsContact CA-O 3.28Å; T350-W363 WeakPolarHBondContact CA-O 3.32Å; T350-D364 PolarHBondContact OG1-OD2 3.4Å |
| 351 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155.5 | 170 | -70.6 | 85 | 0 | 0 | 0 | 111.2 | A292 V300 I302 T342 W343 V362 W363 W365 | A292-L351 HydrophobicContact CB-CD2 3.9Å; V300-L351 HydrophobicContact CG1-CD2 4.22Å; I302-L351 HydrophobicContact CD1-CD1 4.03Å; T342-L351 WeakPolarHBondContact O-CA 3.44Å; W343-L351 HydrophobicContact CD2-CD1 4.24Å; W343-L351 HydrophobicContact CD2-CD2 4.13Å; W343-L351 HydrophobicContact CD2-CG 4Å; W343-L351 HydrophobicContact CE3-CD1 3.64Å; W343-L351 HydrophobicContact CE3-CD2 4.35Å; W343-L351 HydrophobicContact CE3-CG 3.85Å; W343-L351 HydrophobicContact CH2-CD1 3.93Å; W343-L351 HydrophobicContact CH2-CD2 4.47Å; W343-L351 HydrophobicContact CZ2-CD1 4.49Å; W343-L351 HydrophobicContact CZ2-CD2 4.25Å; W343-L351 HydrophobicContact CZ3-CD1 3.48Å; W343-L351 VanDerWaalsContact CZ3-CD1 3.48Å; W343-L351 HydrophobicContact CZ3-CG 4.15Å; L351-V362 WeakPolarHBondContact O-CA 3.31Å; L351-W363 HydrophobicContact CB-CD2 4.33Å; L351-W363 HydrophobicContact CB-CH2 4.24Å; L351-W363 HydrophobicContact CB-CZ2 3.73Å; L351-W363 HydrophobicContact CD1-CE3 4.46Å; L351-W363 HydrophobicContact CD1-CH2 3.74Å; L351-W363 HydrophobicContact CD1-CZ2 4.12Å; L351-W363 HydrophobicContact CD1-CZ3 3.93Å; L351-W363 HydrophobicContact CD2-CH2 4.05Å; L351-W363 HydrophobicContact CD2-CZ2 3.93Å; L351-W363 HydrophobicContact CG-CH2 4.24Å; L351-W363 HydrophobicContact CG-CZ2 4.15Å; L351-W363 PolarHBondContact N-O 3.46Å; L351-W363 PolarHBondContact O-N 3.35Å; L351-W365 HydrophobicContact CD1-CE3 3.93Å; L351-W365 HydrophobicContact CD1-CH2 4.25Å; L351-W365 HydrophobicContact CD1-CZ3 3.29Å |
| 352 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.3 | 160.1 | -88.3 | 56.6 | 0 | 0 | 0 | 108.6 | L30 W32 V38 L56 H341 T342 H361 V362 | L30-L352 HydrophobicContact CD1-CB 4Å; W32-L352 HydrophobicContact CH2-CD1 3.54Å; W32-L352 HydrophobicContact CH2-CD2 3.78Å; W32-L352 HydrophobicContact CH2-CG 4.27Å; W32-L352 HydrophobicContact CZ2-CD1 3.59Å; W32-L352 HydrophobicContact CZ2-CD2 3.85Å; W32-L352 HydrophobicContact CZ2-CG 4.17Å; W32-L352 HydrophobicContact CZ3-CD2 4.5Å; V38-L352 HydrophobicContact CB-CD2 4.06Å; V38-L352 HydrophobicContact CG1-CD2 3.83Å; V38-L352 HydrophobicContact CG2-CD2 3.99Å; L56-L352 HydrophobicContact CD2-CD1 4.45Å; H341-L352 CarbonylContact C-O 3.57Å; H341-L352 WeakPolarHBondContact CA-O 3.39Å; T342-L352 HydrophobicContact CG2-CB 3.91Å; T342-L352 PolarHBondContact N-O 2.99Å; T342-L352 PolarHBondContact O-N 3.32Å; L352-H361 CarbonylContact C-O 3.01Å; L352-H361 VanDerWaalsContact CA-O 3.27Å; L352-H361 WeakPolarHBondContact CA-O 3.38Å; L352-V362 HydrophobicContact CD1-CB 4.1Å; L352-V362 HydrophobicContact CD1-CG1 3.66Å; L352-V362 HydrophobicContact CD1-CG2 3.72Å; L352-V362 HydrophobicContact CG-CG2 3.89Å |
| 353 | S | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.9 | 172.4 | 55.9 | 0 | 0 | 0 | 0 | 111 | H324 T340 L360 H361 W363 | H324-S353 PolarHBondContact CE1-O 2.92Å; H324-S353 WeakPolarHBondContact NE2-CB 3.46Å; H324-S353 PolarHBondContact NE2-OG 2.87Å; T340-S353 WeakPolarHBondContact O-CA 3.21Å; S353-L360 WeakPolarHBondContact O-CA 3.27Å; S353-H361 PolarHBondContact N-O 3.47Å; S353-H361 PolarHBondContact O-N 3.07Å; S353-W363 PolarHBondContact OG-NE1 3.11Å |
| 354 | A | 97.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 152.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T27 L30 V338 T339 T340 S359 L360 | T27-A354 HydrophobicContact CG2-CB 3.55Å; L30-A354 HydrophobicContact CD1-CB 4.44Å; V338-A354 CarbonylContact C-O 3.56Å; V338-A354 WeakPolarHBondContact CA-O 3.36Å; V338-A354 WeakPolarHBondContact CG1-O 3.41Å; T339-A354 PolarHBondContact N-O 3.11Å; T339-A354 PolarHBondContact OG1-O 2.87Å; T339-A354 VanDerWaalsContact OG1-O 3.05Å; T340-A354 HydrophobicContact CG2-CB 4.13Å; T340-A354 PolarHBondContact O-N 3.11Å; A354-S359 CarbonylContact C-O 3.56Å; A354-S359 VanDerWaalsContact CA-O 3.3Å; A354-S359 WeakPolarHBondContact CA-O 3.49Å; A354-L360 HydrophobicContact CB-CD1 4.17Å |
| 355 | A | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 171.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H324 P336 L337 D357 A358 S359 | H324-A355 HydrophobicContact CB-CB 4.17Å; H324-A355 WeakPolarHBondContact ND1-CB 3.33Å; P336-A355 HydrophobicContact CB-CB 4.19Å; L337-A355 CarbonylContact O-C 3.56Å; L337-A355 VanDerWaalsContact O-CA 3.25Å; L337-A355 WeakPolarHBondContact O-CA 3.36Å; L337-A355 WeakPolarHBondContact O-CB 3.03Å; A355-D357 WeakPolarHBondContact CB-OD1 3.28Å; A355-D357 PolarHBondContact O-N 2.59Å; A355-A358 PolarHBondContact O-N 2.92Å; A355-A358 VanDerWaalsContact O-N 3.16Å; A355-S359 PolarHBondContact N-O 3.41Å |
| 356 | S | 95.3 | Very high | 93.5 | Very high | 55 Ų | 55 | 20.3 Ų | 20.3 | 39% | 0.385 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.6 | -172.9 | 58.1 | 0 | 0 | 0 | 0 | 114.9 | L337 | L337-S356 PolarHBondContact N-OG 2.96Å; L337-S356 PolarHBondContact O-N 3.48Å |
| 357 | D | 93.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 19.4 Ų | 19.4 | 33% | 0.326 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 6 | 173.5 | 60.4 | -4.5 | 0 | 0 | 0 | 113 | P336 A355 S359 | P336-D357 HydrophobicContact CB-CB 3.92Å; P336-D357 WeakPolarHBondContact CB-OD2 3.31Å; P336-D357 WeakPolarHBondContact CG-OD2 3.27Å; A355-D357 WeakPolarHBondContact CB-OD1 3.28Å; A355-D357 PolarHBondContact O-N 2.59Å; D357-S359 VanDerWaalsContact C-N 3.25Å; D357-S359 VanDerWaalsContact CG-OG 3.3Å; D357-S359 PolarHBondContact O-N 2.79Å; D357-S359 VanDerWaalsContact OD1-CB 3.28Å; D357-S359 WeakPolarHBondContact OD1-CB 3.34Å; D357-S359 PolarHBondContact OD1-N 2.98Å; D357-S359 PolarHBondContact OD1-OG 2.96Å; D357-S359 PolarHBondContact OD2-OG 3.04Å |
| 358 | A | 95.1 | Very high | 92.2 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 10% | 0.099 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 71.3 | 9.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.8 | L23 G25 A26 A355 | L23-A358 HydrophobicContact CB-CB 4.31Å; L23-A358 PolarHBondContact N-O 3.37Å; L23-A358 WeakPolarHBondContact O-CB 3.09Å; G25-A358 VanDerWaalsContact C-CB 3.47Å; A26-A358 HydrophobicContact CB-CB 4.4Å; A355-A358 PolarHBondContact O-N 2.92Å; A355-A358 VanDerWaalsContact O-N 3.16Å |
| 359 | S | 94.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.8 | 170.2 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | F21 H324 A354 A355 D357 | F21-S359 CarbonylContact O-C 3.55Å; H324-S359 PolarHBondContact ND1-OG 2.82Å; A354-S359 CarbonylContact C-O 3.56Å; A354-S359 VanDerWaalsContact CA-O 3.3Å; A354-S359 WeakPolarHBondContact CA-O 3.49Å; A355-S359 PolarHBondContact N-O 3.41Å; D357-S359 VanDerWaalsContact C-N 3.25Å; D357-S359 VanDerWaalsContact CG-OG 3.3Å; D357-S359 PolarHBondContact O-N 2.79Å; D357-S359 VanDerWaalsContact OD1-CB 3.28Å; D357-S359 WeakPolarHBondContact OD1-CB 3.34Å; D357-S359 PolarHBondContact OD1-N 2.98Å; D357-S359 PolarHBondContact OD1-OG 2.96Å; D357-S359 PolarHBondContact OD2-OG 3.04Å |
| 360 | L | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 117.5 | 176.7 | 175.2 | 66.1 | 0 | 0 | 0 | 108.5 | F21 L23 L30 L54 F74 S353 A354 | F21-L360 HydrophobicContact CB-CB 4.49Å; F21-L360 PolarHBondContact N-O 3.2Å; F21-L360 PolarHBondContact O-N 2.8Å; L23-L360 HydrophobicContact CD1-CB 4.29Å; L23-L360 HydrophobicContact CD1-CD2 4.46Å; L23-L360 HydrophobicContact CD2-CD2 4.2Å; L23-L360 HydrophobicContact CG-CB 4.22Å; L23-L360 HydrophobicContact CG-CD2 4.5Å; L30-L360 HydrophobicContact CD2-CD1 3.68Å; L54-L360 HydrophobicContact CD1-CD2 3.99Å; F74-L360 HydrophobicContact CD2-CD2 4.18Å; F74-L360 HydrophobicContact CE2-CD2 3.6Å; F74-L360 HydrophobicContact CE2-CG 4.12Å; F74-L360 HydrophobicContact CZ-CD2 3.88Å; F74-L360 HydrophobicContact CZ-CG 4.46Å; S353-L360 WeakPolarHBondContact O-CA 3.27Å; A354-L360 HydrophobicContact CB-CD1 4.17Å |
| 361 | H | 94.3 | Very high | 87 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.6 | -178.6 | -65.9 | 172.8 | 0 | 0 | 0 | 110.9 | F18 H19 A20 H321 H324 L352 S353 | F18-H361 HydrophobicContact CE2-CB 4Å; F18-H361 AromaticContact CE2-CG 3.79Å; F18-H361 AromaticContact CE2-ND1 3.84Å; H19-H361 CarbonylContact O-C 3.56Å; H19-H361 VanDerWaalsContact O-CA 3.3Å; H19-H361 WeakPolarHBondContact O-CA 3.27Å; A20-H361 VanDerWaalsContact CB-CD2 3.47Å; A20-H361 WeakPolarHBondContact CB-CD2 3.34Å; H321-H361 AromaticContact CE1-ND1 3.65Å; H321-H361 AromaticContact NE2-CG 3.93Å; H321-H361 AromaticContact NE2-ND1 3.06Å; H321-H361 PolarHBondContact NE2-ND1 2.96Å; H324-H361 AromaticContact CD2-ND1 3.74Å; H324-H361 AromaticContact CE1-CD2 3.9Å; H324-H361 AromaticContact CE1-CE1 3.59Å; H324-H361 AromaticContact CE1-CG 3.47Å; H324-H361 VanDerWaalsContact CE1-CG 3.47Å; H324-H361 AromaticContact CE1-ND1 3.28Å; H324-H361 PolarHBondContact CE1-ND1 3.27Å; H324-H361 VanDerWaalsContact CE1-ND1 3.28Å; H324-H361 AromaticContact CE1-NE2 3.98Å; H324-H361 AromaticContact CG-CE1 3.67Å; H324-H361 AromaticContact CG-ND1 3.71Å; H324-H361 PolarHBondContact N-CE1 2.72Å; H324-H361 AromaticContact ND1-CE1 3.27Å; H324-H361 PolarHBondContact ND1-CE1 3.3Å; H324-H361 VanDerWaalsContact ND1-CE1 3.27Å; H324-H361 AromaticContact ND1-CG 3.97Å; H324-H361 AromaticContact ND1-ND1 3.42Å; H324-H361 PolarHBondContact ND1-ND1 3.21Å; H324-H361 AromaticContact ND1-NE2 3.77Å; H324-H361 AromaticContact NE2-CG 3.85Å; H324-H361 AromaticContact NE2-ND1 3.47Å; H324-H361 PolarHBondContact NE2-ND1 2.79Å; L352-H361 CarbonylContact C-O 3.01Å; L352-H361 VanDerWaalsContact CA-O 3.27Å; L352-H361 WeakPolarHBondContact CA-O 3.38Å; S353-H361 PolarHBondContact N-O 3.47Å; S353-H361 PolarHBondContact O-N 3.07Å |
| 362 | V | 93.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125 | 162.3 | -174.3 | 0 | 0 | 0 | 0 | 107.2 | H19 F21 L56 L60 F74 T350 L351 L352 | H19-V362 HydrophobicContact CB-CB 4.48Å; H19-V362 PolarHBondContact N-O 2.84Å; H19-V362 PolarHBondContact O-N 3.21Å; F21-V362 HydrophobicContact CE2-CG2 4.43Å; L56-V362 HydrophobicContact CD2-CG1 4.47Å; L60-V362 HydrophobicContact CD1-CB 3.84Å; L60-V362 HydrophobicContact CD1-CG1 3.67Å; L60-V362 HydrophobicContact CD1-CG2 4.21Å; L60-V362 HydrophobicContact CD2-CG1 4.21Å; L60-V362 HydrophobicContact CG-CG1 4.41Å; F74-V362 HydrophobicContact CE1-CG2 4.37Å; F74-V362 HydrophobicContact CE2-CG2 3.75Å; F74-V362 HydrophobicContact CZ-CG2 3.32Å; T350-V362 HydrophobicContact CG2-CG1 3.92Å; L351-V362 WeakPolarHBondContact O-CA 3.31Å; L352-V362 HydrophobicContact CD1-CB 4.1Å; L352-V362 HydrophobicContact CD1-CG1 3.66Å; L352-V362 HydrophobicContact CD1-CG2 3.72Å; L352-V362 HydrophobicContact CG-CG2 3.89Å |
| 363 | W | 93 | Very high | 83.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 141.8 | -176.5 | 49.9 | -82 | 0 | 0 | 0 | 111.6 | Y15 D17 F18 V300 I302 F319 H321 T350 L351 S353 W365 | Y15-W363 HydrophobicContact CD1-CB 3.86Å; Y15-W363 HydrophobicContact CD1-CE3 4.44Å; Y15-W363 HydrophobicContact CE1-CB 3.85Å; Y15-W363 HydrophobicContact CE1-CD2 4.23Å; Y15-W363 AromaticContact CE1-CE3 3.92Å; Y15-W363 HydrophobicContact CE1-CE3 3.92Å; Y15-W363 HydrophobicContact CE1-CG 4.26Å; D17-W363 CarbonylContact O-C 3.56Å; D17-W363 WeakPolarHBondContact O-CA 3.42Å; F18-W363 HydrophobicContact CD2-CB 3.94Å; V300-W363 HydrophobicContact CB-CH2 4.42Å; V300-W363 HydrophobicContact CB-CZ2 3.86Å; V300-W363 HydrophobicContact CG1-CH2 4.27Å; V300-W363 HydrophobicContact CG1-CZ2 3.89Å; V300-W363 HydrophobicContact CG2-CZ2 4.4Å; I302-W363 HydrophobicContact CD1-CH2 3.52Å; I302-W363 HydrophobicContact CD1-CZ3 3.63Å; I302-W363 HydrophobicContact CG1-CH2 4.24Å; F319-W363 HydrophobicContact CD1-CE3 4.47Å; F319-W363 HydrophobicContact CD1-CH2 4.17Å; F319-W363 AromaticContact CD1-CZ3 3.62Å; F319-W363 HydrophobicContact CD1-CZ3 3.62Å; F319-W363 AromaticContact CE1-CE3 3.9Å; F319-W363 HydrophobicContact CE1-CE3 3.9Å; F319-W363 HydrophobicContact CE1-CH2 4.22Å; F319-W363 AromaticContact CE1-CZ3 3.47Å; F319-W363 HydrophobicContact CE1-CZ3 3.47Å; F319-W363 VanDerWaalsContact CE1-CZ3 3.47Å; H321-W363 HydrophobicContact CB-CD2 4.19Å; H321-W363 HydrophobicContact CB-CE3 4.36Å; H321-W363 HydrophobicContact CB-CH2 3.74Å; H321-W363 HydrophobicContact CB-CZ2 3.56Å; H321-W363 HydrophobicContact CB-CZ3 4.15Å; H321-W363 AromaticContact CD2-NE1 3.8Å; H321-W363 AromaticContact CE1-CD1 3.86Å; H321-W363 AromaticContact CG-CE2 3.67Å; H321-W363 AromaticContact CG-CZ2 3.97Å; H321-W363 AromaticContact CG-NE1 3.8Å; H321-W363 AromaticContact ND1-CD1 3.96Å; H321-W363 AromaticContact ND1-CD2 3.89Å; H321-W363 AromaticContact ND1-CE2 4Å; H321-W363 AromaticContact ND1-CG 3.88Å; T350-W363 CarbonylContact C-O 3.59Å; T350-W363 VanDerWaalsContact CA-O 3.28Å; T350-W363 WeakPolarHBondContact CA-O 3.32Å; L351-W363 HydrophobicContact CB-CD2 4.33Å; L351-W363 HydrophobicContact CB-CH2 4.24Å; L351-W363 HydrophobicContact CB-CZ2 3.73Å; L351-W363 HydrophobicContact CD1-CE3 4.46Å; L351-W363 HydrophobicContact CD1-CH2 3.74Å; L351-W363 HydrophobicContact CD1-CZ2 4.12Å; L351-W363 HydrophobicContact CD1-CZ3 3.93Å; L351-W363 HydrophobicContact CD2-CH2 4.05Å; L351-W363 HydrophobicContact CD2-CZ2 3.93Å; L351-W363 HydrophobicContact CG-CH2 4.24Å; L351-W363 HydrophobicContact CG-CZ2 4.15Å; L351-W363 PolarHBondContact N-O 3.46Å; L351-W363 PolarHBondContact O-N 3.35Å; S353-W363 PolarHBondContact OG-NE1 3.11Å; W363-W365 HydrophobicContact CE3-CB 4.49Å; W363-W365 HydrophobicContact CE3-CE3 4.13Å; W363-W365 HydrophobicContact CZ3-CD2 4.32Å; W363-W365 AromaticContact CZ3-CE3 3.62Å; W363-W365 HydrophobicContact CZ3-CE3 3.62Å; W363-W365 HydrophobicContact CZ3-CZ3 4.34Å |
| 364 | D | 90.7 | Very high | 82.7 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.3 | 171.3 | -166.5 | -63.3 | 0 | 0 | 0 | 108.3 | Y15 Q16 D17 R349 T350 | Y15-D364 CarbonylContact C-O 3.6Å; Y15-D364 VanDerWaalsContact CA-O 3.29Å; Y15-D364 WeakPolarHBondContact CA-O 3.3Å; Q16-D364 HydrophobicContact CB-CB 4.26Å; Q16-D364 PolarHBondContact N-O 2.87Å; D17-D364 HydrophobicContact CB-CB 4.19Å; D17-D364 PolarHBondContact N-O 3.23Å; D17-D364 PolarHBondContact O-N 2.82Å; R349-D364 VanDerWaalsContact O-CA 3.27Å; R349-D364 WeakPolarHBondContact O-CA 3.23Å; T350-D364 PolarHBondContact OG1-OD2 3.4Å |
| 365 | W | 91.4 | Very high | 81.8 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 148.4 | -175.7 | 82 | 91.3 | 0 | 0 | 0 | 112.6 | L14 L287 I302 F319 W343 R349 L351 W363 | L14-W365 WeakPolarHBondContact O-CA 3.31Å; L287-W365 HydrophobicContact CD1-CH2 3.62Å; L287-W365 HydrophobicContact CD1-CZ2 3.75Å; I302-W365 HydrophobicContact CD1-CD2 3.84Å; I302-W365 HydrophobicContact CD1-CE3 3.51Å; I302-W365 HydrophobicContact CD1-CH2 3.52Å; I302-W365 HydrophobicContact CD1-CZ2 3.81Å; I302-W365 HydrophobicContact CD1-CZ3 3.37Å; I302-W365 HydrophobicContact CG2-CH2 4.38Å; I302-W365 HydrophobicContact CG2-CZ2 4.22Å; F319-W365 HydrophobicContact CB-CG 4.33Å; F319-W365 HydrophobicContact CD1-CB 4.12Å; F319-W365 HydrophobicContact CD1-CD2 4.49Å; F319-W365 HydrophobicContact CD1-CG 4.12Å; F319-W365 HydrophobicContact CD2-CB 3.8Å; F319-W365 AromaticContact CD2-CD1 3.67Å; F319-W365 AromaticContact CD2-CG 3.83Å; F319-W365 HydrophobicContact CD2-CG 3.83Å; F319-W365 HydrophobicContact CE1-CB 3.89Å; F319-W365 HydrophobicContact CE1-CG 4.39Å; F319-W365 HydrophobicContact CE2-CB 3.56Å; F319-W365 HydrophobicContact CE2-CG 4.13Å; F319-W365 HydrophobicContact CG-CB 4.07Å; F319-W365 AromaticContact CG-CD1 3.83Å; F319-W365 HydrophobicContact CG-CD2 4.39Å; F319-W365 AromaticContact CG-CG 3.82Å; F319-W365 HydrophobicContact CG-CG 3.82Å; F319-W365 HydrophobicContact CZ-CB 3.6Å; F319-W365 HydrophobicContact CZ-CG 4.39Å; W343-W365 AromaticContact CH2-CH2 3.58Å; W343-W365 HydrophobicContact CH2-CH2 3.58Å; W343-W365 HydrophobicContact CH2-CZ3 4.04Å; W343-W365 AromaticContact CZ3-CH2 3.42Å; W343-W365 HydrophobicContact CZ3-CH2 3.42Å; W343-W365 VanDerWaalsContact CZ3-CH2 3.42Å; W343-W365 AromaticContact CZ3-CZ3 3.66Å; W343-W365 HydrophobicContact CZ3-CZ3 3.66Å; R349-W365 HydrophobicContact CB-CD2 4.1Å; R349-W365 HydrophobicContact CB-CE3 3.89Å; R349-W365 HydrophobicContact CB-CH2 3.95Å; R349-W365 HydrophobicContact CB-CZ2 4.19Å; R349-W365 HydrophobicContact CB-CZ3 3.78Å; R349-W365 WeakPolarHBondContact CD-O 3.23Å; R349-W365 HydrophobicContact CG-CD2 4.39Å; R349-W365 HydrophobicContact CG-CE3 4.5Å; R349-W365 HydrophobicContact CG-CH2 3.86Å; R349-W365 HydrophobicContact CG-CZ2 3.77Å; R349-W365 HydrophobicContact CG-CZ3 4.22Å; R349-W365 WeakPolarHBondContact O-CZ3 3.47Å; R349-W365 PolarHBondContact O-N 2.96Å; L351-W365 HydrophobicContact CD1-CE3 3.93Å; L351-W365 HydrophobicContact CD1-CH2 4.25Å; L351-W365 HydrophobicContact CD1-CZ3 3.29Å; W363-W365 HydrophobicContact CE3-CB 4.49Å; W363-W365 HydrophobicContact CE3-CE3 4.13Å; W363-W365 HydrophobicContact CZ3-CD2 4.32Å; W363-W365 AromaticContact CZ3-CE3 3.62Å; W363-W365 HydrophobicContact CZ3-CE3 3.62Å; W363-W365 HydrophobicContact CZ3-CZ3 4.34Å |
| 366 | V | 86.9 | Confident | 80.9 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | trans | -73.6 | 134.5 | -179 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | L14 Q16 L368 | L14-V366 PolarHBondContact O-N 2.89Å; Q16-V366 HydrophobicContact CB-CG2 4.32Å; V366-L368 HydrophobicContact CG1-CD2 4.16Å; V366-L368 PolarHBondContact O-N 2.87Å; V366-L368 VanDerWaalsContact O-N 3.11Å | ||
| 367 | D | 80.6 | Confident | 80 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | trans | -77.3 | 92.7 | 167 | -170.4 | -8.4 | 0 | 0 | 0 | 110.6 | R349 Q369 A370 S371 | R349-D367 IonicContact CZ-OD2 2.76Å; R349-D367 IonicContact NE-OD2 2.72Å; R349-D367 IonicContact NH2-OD2 3.96Å; R349-D367 PolarHBondContact NH2-OD2 2.93Å; D367-Q369 PolarHBondContact O-N 2.69Å; D367-Q369 WeakPolarHBondContact OD1-CA 3.33Å; D367-Q369 WeakPolarHBondContact OD1-CB 3.15Å; D367-Q369 PolarHBondContact OD1-N 3.29Å; D367-A370 HydrophobicContact CB-CB 4.01Å; D367-A370 PolarHBondContact O-N 3.16Å; D367-A370 PolarHBondContact OD1-N 3.27Å; D367-A370 VanDerWaalsContact OD1-N 3.13Å; D367-A370 WeakPolarHBondContact OD2-CB 3.43Å; D367-S371 PolarHBondContact O-OG 3.44Å | ||
| 368 | L | 69.9 | Low | 79.1 | Confident | 108 Ų | 108 | 48.1 Ų | 48.1 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -66.6 | -19.4 | 177 | -64.2 | 174.5 | 0 | 0 | 0 | 112.5 | V366 | V366-L368 HydrophobicContact CG1-CD2 4.16Å; V366-L368 PolarHBondContact O-N 2.87Å; V366-L368 VanDerWaalsContact O-N 3.11Å |
| 369 | Q | 65.4 | Low | 78 | Confident | 141 Ų | 141 | 50.6 Ų | 50.6 | 66% | 0.659 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -82.2 | -30.4 | 178.3 | -63.2 | -173.5 | -3.3 | 0 | 0 | 112.5 | D367 S371 | D367-Q369 PolarHBondContact O-N 2.69Å; D367-Q369 WeakPolarHBondContact OD1-CA 3.33Å; D367-Q369 WeakPolarHBondContact OD1-CB 3.15Å; D367-Q369 PolarHBondContact OD1-N 3.29Å; Q369-S371 VanDerWaalsContact C-N 3.25Å; Q369-S371 PolarHBondContact O-N 3.04Å |
| 370 | A | 56.3 | Low | 76.7 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 63% | 0.628 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D367 | D367-A370 HydrophobicContact CB-CB 4.01Å; D367-A370 PolarHBondContact O-N 3.16Å; D367-A370 PolarHBondContact OD1-N 3.27Å; D367-A370 VanDerWaalsContact OD1-N 3.13Å; D367-A370 WeakPolarHBondContact OD2-CB 3.43Å |
| 371 | S | 45 | Very low | 75.1 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.3 | -176.4 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | D367 Q369 | D367-S371 PolarHBondContact O-OG 3.44Å; Q369-S371 VanDerWaalsContact C-N 3.25Å; Q369-S371 PolarHBondContact O-N 3.04Å |
| 372 | C | 34.1 | Very low | 73.4 | Confident | 179 Ų | 179 | 63.5 Ų | 63.5 | 100% | 1.209 | 39% | 0.387 | S | S | * | . | trans | -105.3 | 0 | -178.4 | -78.7 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 372 of 372 residues in 72.5 ms
(Link to these results)