| 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 | 37.9 | Very low | 59.7 | Low | 244 Ų | 244 | 127.4 Ų | 127.4 | 100% | 1.202 | 66% | 0.66 | S | S | * | * | 0 | 132.9 | 0 | -69.8 | 159.6 | 172.5 | 0 | 0 | 107.1 | |||||
| 2 | S | 40.1 | Very low | 61.6 | Low | 116 Ų | 116 | 122.2 Ų | 122.2 | 81% | 0.811 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 125.2 | 171.5 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 3 | V | 48.3 | Very low | 63.3 | Low | 125 Ų | 125 | 117.4 Ų | 117.4 | 76% | 0.758 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.2 | 167.3 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | K5 | V3-K5 PolarHBondContact O-N 3.06Š|
| 4 | P | 51 | Low | 64.8 | Low | 98 Ų | 98 | 116.7 Ų | 116.7 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136.2 | 174.4 | 26.9 | -33.5 | 0 | 0 | 0 | 108.9 | H6 | P4-H6 PolarHBondContact O-N 2.64Š|
| 5 | K | 53.2 | Low | 66.2 | Low | 197 Ų | 197 | 113 Ų | 113 | 86% | 0.857 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.2 | 168.1 | -72.2 | -176.2 | 175 | -176.1 | 0 | 107.3 | V3 E7 | V3-K5 PolarHBondContact O-N 3.06Å; K5-E7 PolarHBondContact O-N 3.33Å; K5-E7 VanDerWaalsContact O-N 3.11Å |
| 6 | H | 57.4 | Low | 67.4 | Low | 109 Ų | 109 | 107.3 Ų | 107.3 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 116.2 | 168.7 | -68.8 | -78.4 | 0 | 0 | 0 | 108.3 | P4 K8 | P4-H6 PolarHBondContact O-N 2.64Å; H6-K8 PolarHBondContact O-N 3.13Å |
| 7 | E | 62.2 | Low | 68.5 | Low | 108 Ų | 108 | 104.9 Ų | 104.9 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 123.8 | 173 | -68.4 | -170.5 | 132.6 | 0 | 0 | 108 | K5 Y318 E319 | K5-E7 PolarHBondContact O-N 3.33Å; K5-E7 VanDerWaalsContact O-N 3.11Å; E7-Y318 HydrophobicContact CB-CD1 3.65Å; E7-Y318 HydrophobicContact CB-CE1 3.39Å; E7-Y318 HydrophobicContact CG-CE1 4.24Å; E7-Y318 WeakPolarHBondContact O-CD1 3.41Å; E7-Y318 WeakPolarHBondContact OE2-CE1 3.27Å; E7-Y318 VanDerWaalsContact OE2-CZ 3.27Å; E7-Y318 PolarHBondContact OE2-OH 3.34Å; E7-E319 PolarHBondContact O-N 3.4Å; E7-E319 VanDerWaalsContact O-N 3.13Å |
| 8 | K | 70.2 | Confident | 69.6 | Low | 127 Ų | 127 | 102.6 Ų | 102.6 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129 | -179 | -51.9 | -149.3 | -174.3 | -152.4 | 0 | 110.4 | H6 E319 | H6-K8 PolarHBondContact O-N 3.13Å; K8-E319 CarbonylContact C-O 3.6Å; K8-E319 VanDerWaalsContact CA-O 3.24Å; K8-E319 WeakPolarHBondContact CA-O 3.37Å; K8-E319 HydrophobicContact CD-CB 4.46Å; K8-E319 HydrophobicContact CD-CG 4.49Å; K8-E319 WeakPolarHBondContact CD-OE2 3.49Å; K8-E319 WeakPolarHBondContact CE-OE2 3.49Å; K8-E319 HydrophobicContact CG-CB 4.19Å; K8-E319 IonicContact NZ-OE1 2.93Å; K8-E319 PolarHBondContact NZ-OE1 2.99Å; K8-E319 IonicContact NZ-OE2 2.63Å; K8-E319 PolarHBondContact NZ-OE2 3.41Å |
| 9 | V | 76.1 | Confident | 70.6 | Confident | 68 Ų | 68 | 98 Ų | 98 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.7 | 171.7 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | Y318 E319 L320 D321 | V9-Y318 HydrophobicContact CG2-CD1 3.85Å; V9-Y318 HydrophobicContact CG2-CG 4.36Å; V9-E319 PolarHBondContact N-O 3.18Å; V9-L320 HydrophobicContact CB-CD1 4.07Å; V9-L320 HydrophobicContact CG1-CD1 4Å; V9-L320 CarbonylContact O-C 3.56Å; V9-L320 WeakPolarHBondContact O-CA 3.45Å; V9-D321 PolarHBondContact O-N 3.21Å |
| 10 | Q | 78.5 | Confident | 71.5 | Confident | 127 Ų | 127 | 93.9 Ų | 93.9 | 59% | 0.593 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.7 | 174.2 | -86.4 | 174.6 | 0.9 | 0 | 0 | 110.6 | D321 | Q10-D321 WeakPolarHBondContact CA-O 3.39Å; Q10-D321 HydrophobicContact CG-CB 3.68Å; Q10-D321 WeakPolarHBondContact CG-OD2 3.27Å; Q10-D321 PolarHBondContact NE2-OD2 3.28Å |
| 11 | L | 81.6 | Confident | 72.3 | Confident | 82 Ų | 82 | 90.5 Ų | 90.5 | 43% | 0.429 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122 | 173.4 | -170.4 | 78.9 | 0 | 0 | 0 | 109.3 | I13 L320 D321 L322 K323 | L11-I13 HydrophobicContact CD2-CD1 4.18Å; L11-I13 HydrophobicContact CD2-CG1 4.18Å; L11-I13 HydrophobicContact CG-CG1 4.47Å; L11-L320 HydrophobicContact CB-CD1 4.16Å; L11-D321 PolarHBondContact N-O 3.14Å; L11-L322 HydrophobicContact CB-CD2 4.18Å; L11-L322 HydrophobicContact CD2-CD2 3.8Å; L11-L322 HydrophobicContact CG-CD2 4.45Å; L11-K323 PolarHBondContact O-N 3.22Å |
| 12 | T | 82.4 | Confident | 74.9 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.8 | 174.1 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | Y14 K323 Q325 | T12-Y14 HydrophobicContact CG2-CE2 4.08Å; T12-K323 CarbonylContact C-O 3.58Å; T12-K323 VanDerWaalsContact CA-O 3.3Å; T12-K323 WeakPolarHBondContact CA-O 3.39Å; T12-Q325 HydrophobicContact CG2-CG 3.91Å |
| 13 | I | 83.8 | Confident | 77.2 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 31% | 0.308 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.7 | 174.3 | -59.5 | 177.3 | 0 | 0 | 0 | 107.9 | L11 V18 L322 K323 V324 Q325 | L11-I13 HydrophobicContact CD2-CD1 4.18Å; L11-I13 HydrophobicContact CD2-CG1 4.18Å; L11-I13 HydrophobicContact CG-CG1 4.47Å; I13-V18 HydrophobicContact CG2-CG2 3.76Å; I13-L322 HydrophobicContact CD1-CD2 3.86Å; I13-K323 PolarHBondContact N-O 2.73Å; I13-V324 CarbonylContact O-C 3.58Å; I13-V324 VanDerWaalsContact O-CA 3.31Å; I13-V324 WeakPolarHBondContact O-CA 3.43Å; I13-Q325 PolarHBondContact O-N 3.42Å |
| 14 | Y | 85.3 | Confident | 79.2 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 42% | 0.424 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.1 | 172.8 | -62.7 | -93.8 | 0 | 0 | 0 | 109.4 | T12 A16 D17 V18 Q325 | T12-Y14 HydrophobicContact CG2-CE2 4.08Å; Y14-A16 PolarHBondContact O-N 3.32Å; Y14-D17 PolarHBondContact O-N 3.4Å; Y14-D17 VanDerWaalsContact O-N 3.09Å; Y14-V18 PolarHBondContact O-N 2.97Å; Y14-Q325 HydrophobicContact CD1-CB 3.91Å; Y14-Q325 HydrophobicContact CD1-CG 4.41Å; Y14-Q325 HydrophobicContact CE1-CB 4.24Å; Y14-Q325 VanDerWaalsContact CE1-CD 3.48Å; Y14-Q325 HydrophobicContact CE1-CG 4.28Å |
| 15 | E | 85.2 | Confident | 81 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 29% | 0.285 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.4 | -31.3 | 173.2 | -82.5 | -173.6 | 172.1 | 0 | 0 | 111.7 | D17 V18 V19 V324 Q325 P326 I327 | E15-D17 VanDerWaalsContact C-N 3.33Å; E15-D17 PolarHBondContact O-N 3.05Å; E15-V18 PolarHBondContact O-N 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.45Å; E15-V19 PolarHBondContact O-N 2.88Å; E15-V324 HydrophobicContact CG-CG1 3.76Å; E15-Q325 PolarHBondContact N-O 2.83Å; E15-P326 VanDerWaalsContact OE2-CA 3.32Å; E15-P326 WeakPolarHBondContact OE2-CA 3.45Å; E15-I327 HydrophobicContact CB-CB 4.45Å; E15-I327 HydrophobicContact CB-CD1 3.91Å; E15-I327 HydrophobicContact CB-CG1 3.71Å; E15-I327 PolarHBondContact OE2-N 2.97Å |
| 16 | A | 85.2 | Confident | 82.7 | Confident | 22 Ų | 22 | 60 Ų | 60 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y14 V19 K20 I327 | Y14-A16 PolarHBondContact O-N 3.32Å; A16-V19 PolarHBondContact O-N 3.09Å; A16-K20 VanDerWaalsContact O-CG 3.27Å; A16-K20 WeakPolarHBondContact O-CG 3.41Å; A16-K20 PolarHBondContact O-N 3.23Å; A16-I327 HydrophobicContact CB-CG1 4.17Å |
| 17 | D | 86.6 | Confident | 84 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.9 | -35.1 | 178.1 | -65.1 | -27.7 | 0 | 0 | 0 | 111.8 | Y14 E15 K20 L21 | Y14-D17 PolarHBondContact O-N 3.4Å; Y14-D17 VanDerWaalsContact O-N 3.09Å; E15-D17 VanDerWaalsContact C-N 3.33Å; E15-D17 PolarHBondContact O-N 3.05Å; D17-K20 PolarHBondContact O-N 3.39Å; D17-K20 IonicContact OD1-NZ 2.69Å; D17-L21 WeakPolarHBondContact O-CB 3.32Å; D17-L21 VanDerWaalsContact O-CG 3.24Å; D17-L21 WeakPolarHBondContact O-CG 3.14Å; D17-L21 PolarHBondContact O-N 3.46Å |
| 18 | V | 87.7 | Confident | 85.1 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 173.7 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | I13 Y14 E15 L21 I22 | I13-V18 HydrophobicContact CG2-CG2 3.76Å; Y14-V18 PolarHBondContact O-N 2.97Å; E15-V18 PolarHBondContact O-N 3.28Å; V18-L21 WeakPolarHBondContact O-CB 3.26Å; V18-L21 PolarHBondContact O-N 2.76Å; V18-I22 HydrophobicContact CG1-CD1 4.09Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 2.8Å |
| 19 | V | 88.8 | Confident | 85.9 | Confident | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | E15 A16 L21 I22 L23 L38 T42 Q44 I327 | E15-V19 WeakPolarHBondContact O-CG2 3.45Å; E15-V19 PolarHBondContact O-N 2.88Å; A16-V19 PolarHBondContact O-N 3.09Å; V19-L21 VanDerWaalsContact C-N 3.31Å; V19-L21 PolarHBondContact O-N 2.91Å; V19-I22 PolarHBondContact O-N 3.33Å; V19-I22 VanDerWaalsContact O-N 3.11Å; V19-L23 HydrophobicContact CG1-CD1 3.95Å; V19-L23 HydrophobicContact CG1-CG 4.25Å; V19-L23 WeakPolarHBondContact O-CG 3.42Å; V19-L23 PolarHBondContact O-N 3.31Å; V19-L38 HydrophobicContact CG1-CD1 4.46Å; V19-L38 HydrophobicContact CG1-CD2 4.28Å; V19-L38 HydrophobicContact CG1-CG 4.16Å; V19-T42 HydrophobicContact CG1-CG2 4.04Å; V19-T42 HydrophobicContact CG2-CG2 4.02Å; V19-Q44 HydrophobicContact CG1-CB 3.81Å; V19-Q44 HydrophobicContact CG1-CG 4.31Å; V19-I327 HydrophobicContact CB-CD1 4.25Å; V19-I327 HydrophobicContact CG2-CD1 3.61Å |
| 20 | K | 88.9 | Confident | 86.2 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 174.3 | -69.5 | 165.6 | -179.4 | 177.8 | 0 | 112.3 | A16 D17 L23 E24 E208 A210 | A16-K20 VanDerWaalsContact O-CG 3.27Å; A16-K20 WeakPolarHBondContact O-CG 3.41Å; A16-K20 PolarHBondContact O-N 3.23Å; D17-K20 PolarHBondContact O-N 3.39Å; D17-K20 IonicContact OD1-NZ 2.69Å; K20-L23 PolarHBondContact O-N 3.22Å; K20-E24 PolarHBondContact O-N 2.94Å; K20-E208 VanDerWaalsContact CD-O 3.28Å; K20-E208 WeakPolarHBondContact CD-O 3.29Å; K20-E208 WeakPolarHBondContact CE-O 3.18Å; K20-E208 PolarHBondContact NZ-O 3.1Å; K20-E208 IonicContact NZ-OE2 2.88Å; K20-E208 PolarHBondContact NZ-OE2 3.49Å; K20-A210 HydrophobicContact CB-CB 4.42Å; K20-A210 WeakPolarHBondContact O-CB 3.37Å |
| 21 | L | 88.7 | Confident | 86.5 | Confident | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 174.4 | -75.9 | 167.5 | 0 | 0 | 0 | 112.9 | D17 V18 V19 F25 A210 R214 L215 L218 | D17-L21 WeakPolarHBondContact O-CB 3.32Å; D17-L21 VanDerWaalsContact O-CG 3.24Å; D17-L21 WeakPolarHBondContact O-CG 3.14Å; D17-L21 PolarHBondContact O-N 3.46Å; V18-L21 WeakPolarHBondContact O-CB 3.26Å; V18-L21 PolarHBondContact O-N 2.76Å; V19-L21 VanDerWaalsContact C-N 3.31Å; V19-L21 PolarHBondContact O-N 2.91Å; L21-F25 PolarHBondContact O-N 3.06Å; L21-A210 HydrophobicContact CD2-CB 3.97Å; L21-A210 HydrophobicContact CG-CB 4.37Å; L21-R214 HydrophobicContact CD2-CB 3.6Å; L21-R214 HydrophobicContact CD2-CG 3.57Å; L21-L215 HydrophobicContact CB-CB 4.36Å; L21-L218 HydrophobicContact CD1-CD1 4.02Å; L21-L218 HydrophobicContact CD2-CD1 4.3Å |
| 22 | I | 91.3 | Very high | 86.5 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 31% | 0.308 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.3 | -42.8 | 175.8 | -64.5 | 162.4 | 0 | 0 | 0 | 110.6 | V18 V19 E24 F25 L26 L38 L215 | V18-I22 HydrophobicContact CG1-CD1 4.09Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 2.8Å; V19-I22 PolarHBondContact O-N 3.33Å; V19-I22 VanDerWaalsContact O-N 3.11Å; I22-E24 VanDerWaalsContact C-N 3.33Å; I22-E24 PolarHBondContact O-N 3.44Å; I22-F25 WeakPolarHBondContact O-CB 3.39Å; I22-F25 PolarHBondContact O-N 3.13Å; I22-F25 VanDerWaalsContact O-N 3.13Å; I22-L26 HydrophobicContact CG2-CD1 3.93Å; I22-L26 HydrophobicContact CG2-CG 4.29Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.38Å; I22-L26 PolarHBondContact O-N 2.96Å; I22-L38 HydrophobicContact CB-CD2 3.97Å; I22-L38 HydrophobicContact CG2-CD2 3.48Å; I22-L38 VanDerWaalsContact CG2-CD2 3.48Å; I22-L215 HydrophobicContact CG1-CD2 4.06Å |
| 23 | L | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 174.6 | -71.4 | 171.8 | 0 | 0 | 0 | 111.1 | V19 K20 F25 L26 E27 M35 L38 E39 Q44 N46 | V19-L23 HydrophobicContact CG1-CD1 3.95Å; V19-L23 HydrophobicContact CG1-CG 4.25Å; V19-L23 WeakPolarHBondContact O-CG 3.42Å; V19-L23 PolarHBondContact O-N 3.31Å; K20-L23 PolarHBondContact O-N 3.22Å; L23-F25 VanDerWaalsContact C-N 3.32Å; L23-F25 PolarHBondContact O-N 3.47Å; L23-L26 PolarHBondContact O-N 2.69Å; L23-E27 VanDerWaalsContact O-CB 3.26Å; L23-E27 WeakPolarHBondContact O-CB 3.37Å; L23-E27 PolarHBondContact O-N 3.27Å; L23-M35 HydrophobicContact CD2-CB 4.5Å; L23-M35 HydrophobicContact CD2-CG 3.66Å; L23-L38 HydrophobicContact CD2-CB 4Å; L23-L38 HydrophobicContact CD2-CD2 3.84Å; L23-L38 HydrophobicContact CD2-CG 4.02Å; L23-L38 HydrophobicContact CG-CD2 4Å; L23-L38 HydrophobicContact CG-CG 4.43Å; L23-E39 HydrophobicContact CD1-CG 4.13Å; L23-E39 HydrophobicContact CD2-CG 3.6Å; L23-Q44 WeakPolarHBondContact CD1-O 3.43Å; L23-N46 HydrophobicContact CB-CB 3.82Å; L23-N46 HydrophobicContact CD1-CB 4.34Å |
| 24 | E | 88.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 174.9 | -160 | -141.4 | 159.8 | 0 | 0 | 112.8 | K20 I22 L26 K28 A210 R211 G212 D213 R214 | K20-E24 PolarHBondContact O-N 2.94Å; I22-E24 VanDerWaalsContact C-N 3.33Å; I22-E24 PolarHBondContact O-N 3.44Å; E24-L26 VanDerWaalsContact C-N 3.35Å; E24-K28 HydrophobicContact CG-CD 4.07Å; E24-K28 VanDerWaalsContact O-CB 3.26Å; E24-K28 WeakPolarHBondContact O-CB 3.45Å; E24-K28 WeakPolarHBondContact O-CG 3.4Å; E24-K28 PolarHBondContact O-N 3.21Å; E24-K28 WeakPolarHBondContact OE1-CD 3.49Å; E24-K28 WeakPolarHBondContact OE1-CE 3.46Å; E24-A210 HydrophobicContact CB-CB 3.66Å; E24-A210 HydrophobicContact CG-CB 4.05Å; E24-A210 WeakPolarHBondContact CG-O 3.46Å; E24-R211 VanDerWaalsContact CD-CA 3.45Å; E24-R211 WeakPolarHBondContact OE1-CA 3.37Å; E24-R211 PolarHBondContact OE2-N 3.24Å; E24-G212 PolarHBondContact OE1-N 3.5Å; E24-D213 PolarHBondContact OE1-N 2.92Å; E24-R214 WeakPolarHBondContact OE2-CB 3.4Å; E24-R214 PolarHBondContact OE2-N 2.8Å |
| 25 | F | 89.4 | Confident | 86.2 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 178.5 | 171.3 | -84.2 | 0 | 0 | 0 | 112.5 | L21 I22 L23 R29 L215 | L21-F25 PolarHBondContact O-N 3.06Å; I22-F25 WeakPolarHBondContact O-CB 3.39Å; I22-F25 PolarHBondContact O-N 3.13Å; I22-F25 VanDerWaalsContact O-N 3.13Å; L23-F25 VanDerWaalsContact C-N 3.32Å; L23-F25 PolarHBondContact O-N 3.47Å; F25-R29 WeakPolarHBondContact O-CD 3.38Å; F25-R29 WeakPolarHBondContact O-CG 3.28Å; F25-R29 PolarHBondContact O-NH1 3.33Å; F25-R29 VanDerWaalsContact O-NH1 3.11Å; F25-L215 HydrophobicContact CB-CB 4.18Å; F25-L215 HydrophobicContact CB-CD2 3.77Å; F25-L215 HydrophobicContact CD2-CB 4.47Å; F25-L215 HydrophobicContact CD2-CD2 4.1Å; F25-L215 HydrophobicContact CD2-CG 4.49Å; F25-L215 HydrophobicContact CG-CD2 3.92Å |
| 26 | L | 89.4 | Confident | 86.1 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.9 | -45.5 | 177.8 | -66.3 | 171.4 | 0 | 0 | 0 | 111.6 | I22 L23 E24 K28 R29 D30 L31 M35 L38 | I22-L26 HydrophobicContact CG2-CD1 3.93Å; I22-L26 HydrophobicContact CG2-CG 4.29Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.38Å; I22-L26 PolarHBondContact O-N 2.96Å; L23-L26 PolarHBondContact O-N 2.69Å; E24-L26 VanDerWaalsContact C-N 3.35Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.49Å; L26-R29 CarbonylContact O-C 3.6Å; L26-R29 PolarHBondContact O-N 2.77Å; L26-R29 VanDerWaalsContact O-N 3.1Å; L26-D30 PolarHBondContact O-N 2.99Å; L26-L31 HydrophobicContact CB-CB 4.24Å; L26-L31 HydrophobicContact CD2-CB 3.97Å; L26-L31 HydrophobicContact CD2-CD1 3.68Å; L26-L31 HydrophobicContact CD2-CG 4.49Å; L26-L31 PolarHBondContact O-N 3.01Å; L26-M35 HydrophobicContact CB-CB 4.03Å; L26-M35 HydrophobicContact CB-CG 4.48Å; L26-M35 HydrophobicContact CD1-CB 4.44Å; L26-L38 HydrophobicContact CD1-CD2 4.14Å |
| 27 | E | 85.1 | Confident | 85.8 | Confident | 74 Ų | 74 | 44.4 Ų | 44.4 | 35% | 0.346 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -53.4 | -49 | 173.8 | -177.7 | -178.1 | -165.2 | 0 | 0 | 110.6 | L23 R29 D30 M35 | L23-E27 VanDerWaalsContact O-CB 3.26Å; L23-E27 WeakPolarHBondContact O-CB 3.37Å; L23-E27 PolarHBondContact O-N 3.27Å; E27-R29 PolarHBondContact O-N 3.46Å; E27-D30 PolarHBondContact O-N 3.1Å; E27-D30 VanDerWaalsContact O-N 3.16Å; E27-M35 HydrophobicContact CB-SD 3.83Å; E27-M35 HydrophobicContact CG-SD 4.31Å |
| 28 | K | 85.5 | Confident | 85.7 | Confident | 98 Ų | 98 | 43 Ų | 43 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -1 | 178.9 | -75.9 | 176.1 | 145.2 | -77 | 0 | 116 | E24 L26 D213 | E24-K28 HydrophobicContact CG-CD 4.07Å; E24-K28 VanDerWaalsContact O-CB 3.26Å; E24-K28 WeakPolarHBondContact O-CB 3.45Å; E24-K28 WeakPolarHBondContact O-CG 3.4Å; E24-K28 PolarHBondContact O-N 3.21Å; E24-K28 WeakPolarHBondContact OE1-CD 3.49Å; E24-K28 WeakPolarHBondContact OE1-CE 3.46Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.49Å; K28-D213 HydrophobicContact CD-CB 3.87Å |
| 29 | R | 85.6 | Confident | 85.6 | Confident | 86 Ų | 86 | 40.8 Ų | 40.8 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 13.5 | 179.6 | -69.8 | 172.4 | 175 | 68.7 | 9.3 | 111.7 | F25 L26 E27 L31 D213 | F25-R29 WeakPolarHBondContact O-CD 3.38Å; F25-R29 WeakPolarHBondContact O-CG 3.28Å; F25-R29 PolarHBondContact O-NH1 3.33Å; F25-R29 VanDerWaalsContact O-NH1 3.11Å; L26-R29 CarbonylContact O-C 3.6Å; L26-R29 PolarHBondContact O-N 2.77Å; L26-R29 VanDerWaalsContact O-N 3.1Å; E27-R29 PolarHBondContact O-N 3.46Å; R29-L31 HydrophobicContact CB-CD1 3.93Å; R29-L31 HydrophobicContact CB-CG 3.87Å; R29-L31 PolarHBondContact O-N 3.3Å; R29-L31 VanDerWaalsContact O-N 3.09Å; R29-D213 IonicContact CZ-OD2 2.77Å; R29-D213 IonicContact NH1-OD1 3.58Å; R29-D213 PolarHBondContact NH1-OD1 3.16Å; R29-D213 IonicContact NH1-OD2 3.28Å; R29-D213 PolarHBondContact NH1-OD2 3.13Å; R29-D213 IonicContact NH2-OD1 3.15Å; R29-D213 IonicContact NH2-OD2 3.63Å; R29-D213 PolarHBondContact NH2-OD2 2.84Å |
| 30 | D | 83 | Confident | 85.1 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 23.9 | -177.1 | -65.5 | -61.3 | 0 | 0 | 0 | 113.8 | L26 E27 A32 L176 | L26-D30 PolarHBondContact O-N 2.99Å; E27-D30 PolarHBondContact O-N 3.1Å; E27-D30 VanDerWaalsContact O-N 3.16Å; D30-A32 PolarHBondContact O-N 3Å; D30-L176 HydrophobicContact CB-CD1 3.83Å; D30-L176 HydrophobicContact CB-CD2 4.39Å |
| 31 | L | 83.9 | Confident | 84.5 | Confident | 52 Ų | 52 | 54 Ų | 54 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | trans | -80.6 | 48.7 | -177.6 | -63.2 | 176.4 | 0 | 0 | 0 | 111.8 | L26 R29 I33 S34 M35 | L26-L31 HydrophobicContact CB-CB 4.24Å; L26-L31 HydrophobicContact CD2-CB 3.97Å; L26-L31 HydrophobicContact CD2-CD1 3.68Å; L26-L31 HydrophobicContact CD2-CG 4.49Å; L26-L31 PolarHBondContact O-N 3.01Å; R29-L31 HydrophobicContact CB-CD1 3.93Å; R29-L31 HydrophobicContact CB-CG 3.87Å; R29-L31 PolarHBondContact O-N 3.3Å; R29-L31 VanDerWaalsContact O-N 3.09Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.07Å; L31-S34 PolarHBondContact O-N 2.77Å; L31-M35 PolarHBondContact O-N 3.21Å | ||
| 32 | A | 81.6 | Confident | 84.1 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -50.4 | -45.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | D30 S34 M35 L36 L179 | D30-A32 PolarHBondContact O-N 3Å; A32-S34 PolarHBondContact O-N 3.47Å; A32-M35 PolarHBondContact O-N 3.03Å; A32-L36 WeakPolarHBondContact O-CB 3.13Å; A32-L36 WeakPolarHBondContact O-CG 3.24Å; A32-L36 PolarHBondContact O-N 3.16Å; A32-L179 HydrophobicContact CB-CD2 3.79Å |
| 33 | I | 74.9 | Confident | 83.5 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 33% | 0.328 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 179.8 | -58.5 | 174.9 | 0 | 0 | 0 | 111.5 | L31 A37 A399 | L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.07Å; I33-A37 WeakPolarHBondContact O-CB 3.46Å; I33-A37 PolarHBondContact O-N 3.45Å; I33-A37 VanDerWaalsContact O-N 3.07Å; I33-A399 HydrophobicContact CD1-CB 4.36Å |
| 34 | S | 85.5 | Confident | 83.2 | Confident | 59 Ų | 59 | 56 Ų | 56 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.2 | -37.1 | 178.2 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | L31 A32 L38 | L31-S34 PolarHBondContact O-N 2.77Å; A32-S34 PolarHBondContact O-N 3.47Å; S34-L38 WeakPolarHBondContact O-CB 3.22Å; S34-L38 PolarHBondContact O-N 3.23Å |
| 35 | M | 85.2 | Confident | 82.9 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.5 | -53.2 | 175.6 | -171.9 | -167.5 | 76.4 | 0 | 0 | 110.6 | L23 L26 E27 L31 A32 A37 L38 E39 L179 | L23-M35 HydrophobicContact CD2-CB 4.5Å; L23-M35 HydrophobicContact CD2-CG 3.66Å; L26-M35 HydrophobicContact CB-CB 4.03Å; L26-M35 HydrophobicContact CB-CG 4.48Å; L26-M35 HydrophobicContact CD1-CB 4.44Å; E27-M35 HydrophobicContact CB-SD 3.83Å; E27-M35 HydrophobicContact CG-SD 4.31Å; L31-M35 PolarHBondContact O-N 3.21Å; A32-M35 PolarHBondContact O-N 3.03Å; M35-A37 VanDerWaalsContact C-N 3.31Å; M35-A37 PolarHBondContact O-N 2.89Å; M35-L38 PolarHBondContact O-N 3.49Å; M35-L38 VanDerWaalsContact O-N 3.09Å; M35-E39 WeakPolarHBondContact O-CG 3.45Å; M35-E39 PolarHBondContact O-N 3.23Å; M35-L179 HydrophobicContact CE-CD1 3.82Å; M35-L179 HydrophobicContact CE-CD2 3.64Å; M35-L179 HydrophobicContact CE-CG 4.39Å; M35-L179 HydrophobicContact SD-CD2 4.38Å |
| 36 | L | 82.9 | Confident | 82.6 | Confident | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -33.5 | -179.6 | -65.3 | 174 | 0 | 0 | 0 | 112.9 | A32 E39 R40 L61 | A32-L36 WeakPolarHBondContact O-CB 3.13Å; A32-L36 WeakPolarHBondContact O-CG 3.24Å; A32-L36 PolarHBondContact O-N 3.16Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.38Å; L36-R40 WeakPolarHBondContact O-CB 3.5Å; L36-R40 WeakPolarHBondContact O-CD 3.29Å; L36-R40 VanDerWaalsContact O-CG 3.22Å; L36-R40 WeakPolarHBondContact O-CG 3.35Å; L36-R40 PolarHBondContact O-N 2.68Å; L36-R40 VanDerWaalsContact O-N 3.1Å; L36-L61 HydrophobicContact CD1-CD2 3.87Å; L36-L61 HydrophobicContact CD2-CD1 3.53Å; L36-L61 HydrophobicContact CD2-CD2 3.91Å; L36-L61 HydrophobicContact CD2-CG 4.32Å |
| 37 | A | 80.1 | Confident | 82.1 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I33 M35 R40 E41 | I33-A37 WeakPolarHBondContact O-CB 3.46Å; I33-A37 PolarHBondContact O-N 3.45Å; I33-A37 VanDerWaalsContact O-N 3.07Å; M35-A37 VanDerWaalsContact C-N 3.31Å; M35-A37 PolarHBondContact O-N 2.89Å; A37-R40 PolarHBondContact O-N 2.93Å; A37-E41 PolarHBondContact O-N 3.02Å |
| 38 | L | 84.4 | Confident | 81.8 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 20% | 0.199 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 178.7 | -177 | 62.2 | 0 | 0 | 0 | 112.2 | V19 I22 L23 L26 S34 M35 E41 T42 | V19-L38 HydrophobicContact CG1-CD1 4.46Å; V19-L38 HydrophobicContact CG1-CD2 4.28Å; V19-L38 HydrophobicContact CG1-CG 4.16Å; I22-L38 HydrophobicContact CB-CD2 3.97Å; I22-L38 HydrophobicContact CG2-CD2 3.48Å; I22-L38 VanDerWaalsContact CG2-CD2 3.48Å; L23-L38 HydrophobicContact CD2-CB 4Å; L23-L38 HydrophobicContact CD2-CD2 3.84Å; L23-L38 HydrophobicContact CD2-CG 4.02Å; L23-L38 HydrophobicContact CG-CD2 4Å; L23-L38 HydrophobicContact CG-CG 4.43Å; L26-L38 HydrophobicContact CD1-CD2 4.14Å; S34-L38 WeakPolarHBondContact O-CB 3.22Å; S34-L38 PolarHBondContact O-N 3.23Å; M35-L38 PolarHBondContact O-N 3.49Å; M35-L38 VanDerWaalsContact O-N 3.09Å; L38-E41 PolarHBondContact O-N 3.3Å; L38-T42 HydrophobicContact CD1-CG2 3.71Å; L38-T42 HydrophobicContact CG-CG2 4.41Å; L38-T42 WeakPolarHBondContact O-CB 3.43Å; L38-T42 WeakPolarHBondContact O-CG2 3.4Å; L38-T42 PolarHBondContact O-N 3.42Å; L38-T42 PolarHBondContact O-OG1 3.17Å |
| 39 | E | 85 | Confident | 81.4 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 172.5 | -66.9 | 178.2 | 171.5 | 0 | 0 | 111.3 | L23 M35 L36 E41 T42 G43 Q44 V45 R57 | L23-E39 HydrophobicContact CD1-CG 4.13Å; L23-E39 HydrophobicContact CD2-CG 3.6Å; M35-E39 WeakPolarHBondContact O-CG 3.45Å; M35-E39 PolarHBondContact O-N 3.23Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.38Å; E39-E41 PolarHBondContact O-N 3.23Å; E39-T42 PolarHBondContact O-N 2.85Å; E39-G43 WeakPolarHBondContact O-CA 3.45Å; E39-G43 PolarHBondContact O-N 3.04Å; E39-Q44 WeakPolarHBondContact CA-O 3.42Å; E39-Q44 WeakPolarHBondContact CG-O 3.45Å; E39-V45 HydrophobicContact CB-CG2 4.36Å; E39-V45 HydrophobicContact CG-CG2 4.18Å; E39-R57 VanDerWaalsContact CD-NH2 3.29Å; E39-R57 IonicContact OE1-CZ 3.19Å; E39-R57 IonicContact OE1-NH1 2.73Å; E39-R57 IonicContact OE1-NH2 3.3Å; E39-R57 PolarHBondContact OE1-NH2 3.2Å; E39-R57 IonicContact OE2-CZ 2.93Å; E39-R57 VanDerWaalsContact OE2-CZ 3.32Å; E39-R57 IonicContact OE2-NH1 3.82Å; E39-R57 PolarHBondContact OE2-NH1 3.11Å; E39-R57 IonicContact OE2-NH2 3.6Å; E39-R57 PolarHBondContact OE2-NH2 3.43Å |
| 40 | R | 78.5 | Confident | 81.1 | Confident | 161 Ų | 161 | 49.5 Ų | 49.5 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66 | -35 | 179.5 | -74.1 | 171.4 | 175.2 | -167.5 | -4.6 | 113.5 | L36 A37 | L36-R40 WeakPolarHBondContact O-CB 3.5Å; L36-R40 WeakPolarHBondContact O-CD 3.29Å; L36-R40 VanDerWaalsContact O-CG 3.22Å; L36-R40 WeakPolarHBondContact O-CG 3.35Å; L36-R40 PolarHBondContact O-N 2.68Å; L36-R40 VanDerWaalsContact O-N 3.1Å; A37-R40 PolarHBondContact O-N 2.93Å |
| 41 | E | 75.5 | Confident | 80.7 | Confident | 148 Ų | 148 | 51.6 Ų | 51.6 | 69% | 0.692 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -80.5 | -24.3 | 178.7 | -73.1 | -170 | 173.7 | 0 | 0 | 114 | A37 L38 E39 | A37-E41 PolarHBondContact O-N 3.02Å; L38-E41 PolarHBondContact O-N 3.3Å; E39-E41 PolarHBondContact O-N 3.23Å |
| 42 | T | 80.8 | Confident | 80.6 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -108.9 | -21.2 | -174.7 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | V19 L38 E39 Q44 | V19-T42 HydrophobicContact CG1-CG2 4.04Å; V19-T42 HydrophobicContact CG2-CG2 4.02Å; L38-T42 HydrophobicContact CD1-CG2 3.71Å; L38-T42 HydrophobicContact CG-CG2 4.41Å; L38-T42 WeakPolarHBondContact O-CB 3.43Å; L38-T42 WeakPolarHBondContact O-CG2 3.4Å; L38-T42 PolarHBondContact O-N 3.42Å; L38-T42 PolarHBondContact O-OG1 3.17Å; E39-T42 PolarHBondContact O-N 2.85Å; T42-Q44 PolarHBondContact O-N 3.13Å; T42-Q44 PolarHBondContact OG1-N 2.98Å |
| 43 | G | 78.8 | Confident | 80.7 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | trans | 68.3 | 12.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | E39 | E39-G43 WeakPolarHBondContact O-CA 3.45Å; E39-G43 PolarHBondContact O-N 3.04Å | ||
| 44 | Q | 82.8 | Confident | 81.2 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | trans | -104.3 | 141.6 | 177.7 | -61.9 | -62 | -59.4 | 0 | 0 | 110.4 | V19 L23 E39 T42 I327 | V19-Q44 HydrophobicContact CG1-CB 3.81Å; V19-Q44 HydrophobicContact CG1-CG 4.31Å; L23-Q44 WeakPolarHBondContact CD1-O 3.43Å; E39-Q44 WeakPolarHBondContact CA-O 3.42Å; E39-Q44 WeakPolarHBondContact CG-O 3.45Å; T42-Q44 PolarHBondContact O-N 3.13Å; T42-Q44 PolarHBondContact OG1-N 2.98Å; Q44-I327 HydrophobicContact CG-CD1 4.11Å | ||
| 45 | V | 83.9 | Confident | 81.2 | Confident | 40 Ų | 40 | 56 Ų | 56 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | trans | -134 | 134.7 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | E39 G47 F49 L54 | E39-V45 HydrophobicContact CB-CG2 4.36Å; E39-V45 HydrophobicContact CG-CG2 4.18Å; V45-G47 VanDerWaalsContact C-N 3.27Å; V45-G47 PolarHBondContact O-N 2.96Å; V45-F49 HydrophobicContact CG1-CD2 3.7Å; V45-F49 HydrophobicContact CG1-CE2 3.69Å; V45-L54 HydrophobicContact CG1-CD2 4.44Å; V45-L54 HydrophobicContact CG2-CD2 4.34Å | ||
| 46 | N | 83.2 | Confident | 81.3 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -83.7 | 57.7 | -178.6 | -173.2 | 51 | 0 | 0 | 0 | 112.6 | L23 A210 | L23-N46 HydrophobicContact CB-CB 3.82Å; L23-N46 HydrophobicContact CD1-CB 4.34Å; N46-A210 PolarHBondContact ND2-O 2.7Å; N46-A210 PolarHBondContact OD1-N 3.46Å |
| 47 | G | 78.1 | Confident | 81.6 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -156.2 | 150.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V45 F49 N209 | V45-G47 VanDerWaalsContact C-N 3.27Å; V45-G47 PolarHBondContact O-N 2.96Å; G47-F49 PolarHBondContact O-N 3.17Å; G47-N209 VanDerWaalsContact C-ND2 3.29Å; G47-N209 VanDerWaalsContact CA-ND2 3.32Å; G47-N209 WeakPolarHBondContact CA-ND2 3.37Å |
| 48 | P | 77.7 | Confident | 81.8 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 37% | 0.37 | 29% | 0.289 | S | S | . | . | trans | -83 | 67.2 | 176.9 | 35.9 | -30.6 | 0 | 0 | 0 | 108.8 | Y186 L195 N209 | P48-Y186 PolarHBondContact O-OH 2.88Å; P48-L195 HydrophobicContact CB-CD2 4.45Å; P48-L195 WeakPolarHBondContact O-CD2 3.31Å; P48-N209 WeakPolarHBondContact CD-ND2 3.4Å | ||
| 49 | F | 77.9 | Confident | 82.1 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 20% | 0.202 | 28% | 0.283 | C | S | . | . | trans | -104.8 | 133.8 | -175.5 | -53.3 | -44.9 | 0 | 0 | 0 | 110.2 | V45 G47 I53 L54 F182 Y186 | V45-F49 HydrophobicContact CG1-CD2 3.7Å; V45-F49 HydrophobicContact CG1-CE2 3.69Å; G47-F49 PolarHBondContact O-N 3.17Å; F49-I53 HydrophobicContact CB-CB 4.34Å; F49-I53 HydrophobicContact CB-CG2 3.86Å; F49-I53 HydrophobicContact CD1-CG2 3.52Å; F49-I53 HydrophobicContact CE1-CG2 4.3Å; F49-I53 HydrophobicContact CG-CG2 3.87Å; F49-L54 HydrophobicContact CB-CD1 4.5Å; F49-L54 HydrophobicContact CB-CD2 3.7Å; F49-L54 HydrophobicContact CB-CG 3.73Å; F49-L54 HydrophobicContact CD2-CD2 3.83Å; F49-L54 HydrophobicContact CG-CD2 4.19Å; F49-F182 HydrophobicContact CD1-CZ 4.37Å; F49-F182 AromaticContact CE1-CE1 3.97Å; F49-F182 HydrophobicContact CE1-CE1 3.97Å; F49-F182 AromaticContact CE1-CZ 3.91Å; F49-F182 HydrophobicContact CE1-CZ 3.91Å; F49-F182 HydrophobicContact CE2-CE1 4.47Å; F49-F182 AromaticContact CZ-CE1 3.78Å; F49-F182 HydrophobicContact CZ-CE1 3.78Å; F49-F182 HydrophobicContact CZ-CZ 4.11Å; F49-Y186 HydrophobicContact CD1-CD2 4.24Å; F49-Y186 AromaticContact CD1-CE2 3.67Å; F49-Y186 HydrophobicContact CD1-CE2 3.67Å; F49-Y186 AromaticContact CD1-CZ 3.9Å; F49-Y186 HydrophobicContact CE1-CD1 4.34Å; F49-Y186 HydrophobicContact CE1-CD2 4.06Å; F49-Y186 HydrophobicContact CE1-CE1 4.07Å; F49-Y186 AromaticContact CE1-CE2 3.76Å; F49-Y186 HydrophobicContact CE1-CE2 3.76Å; F49-Y186 HydrophobicContact CE1-CG 4.34Å; F49-Y186 AromaticContact CE1-CZ 3.76Å | ||
| 50 | N | 79.9 | Confident | 82.3 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | trans | -84.3 | 171.9 | 166.4 | 66.6 | -31.7 | 0 | 0 | 0 | 110.4 | D52 I53 L54 I193 | N50-D52 PolarHBondContact ND2-OD2 3.37Å; N50-D52 PolarHBondContact O-N 2.8Å; N50-I53 PolarHBondContact O-N 3.37Å; N50-I53 VanDerWaalsContact OD1-CB 3.3Å; N50-I53 WeakPolarHBondContact OD1-CB 3.25Å; N50-I53 WeakPolarHBondContact OD1-CG1 3.36Å; N50-I53 PolarHBondContact OD1-N 2.75Å; N50-L54 WeakPolarHBondContact O-CG 3.5Å; N50-L54 PolarHBondContact O-N 3.04Å; N50-I193 WeakPolarHBondContact ND2-CG2 3.39Å | ||
| 51 | E | 75.1 | Confident | 82.7 | Confident | 146 Ų | 146 | 47.3 Ų | 47.3 | 68% | 0.682 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.2 | -39.3 | -179.4 | -62.3 | 179.9 | 165.2 | 0 | 0 | 112 | L54 F55 | E51-L54 PolarHBondContact O-N 2.73Å; E51-F55 WeakPolarHBondContact O-CB 2.95Å; E51-F55 PolarHBondContact O-N 3.29Å |
| 52 | D | 80.2 | Confident | 83.1 | Confident | 87 Ų | 87 | 43.8 Ų | 43.8 | 47% | 0.465 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -49.3 | 177.3 | -53 | -63 | 0 | 0 | 0 | 112.8 | N50 L54 F55 F56 Y71 | N50-D52 PolarHBondContact ND2-OD2 3.37Å; N50-D52 PolarHBondContact O-N 2.8Å; D52-L54 VanDerWaalsContact C-N 3.35Å; D52-L54 PolarHBondContact O-N 3.31Å; D52-F55 PolarHBondContact O-N 3.1Å; D52-F56 PolarHBondContact O-N 3.09Å; D52-Y71 WeakPolarHBondContact CB-OH 3.49Å; D52-Y71 PolarHBondContact O-OH 3.15Å |
| 53 | I | 85.3 | Confident | 83.3 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -37.5 | 175.8 | -73.6 | -66 | 0 | 0 | 0 | 111.4 | F49 N50 F55 F56 R57 F182 Y186 I193 | F49-I53 HydrophobicContact CB-CB 4.34Å; F49-I53 HydrophobicContact CB-CG2 3.86Å; F49-I53 HydrophobicContact CD1-CG2 3.52Å; F49-I53 HydrophobicContact CE1-CG2 4.3Å; F49-I53 HydrophobicContact CG-CG2 3.87Å; N50-I53 PolarHBondContact O-N 3.37Å; N50-I53 VanDerWaalsContact OD1-CB 3.3Å; N50-I53 WeakPolarHBondContact OD1-CB 3.25Å; N50-I53 WeakPolarHBondContact OD1-CG1 3.36Å; N50-I53 PolarHBondContact OD1-N 2.75Å; I53-F55 VanDerWaalsContact C-N 3.32Å; I53-F55 PolarHBondContact O-N 3.31Å; I53-F56 PolarHBondContact O-N 3.21Å; I53-R57 WeakPolarHBondContact O-CB 3.34Å; I53-R57 PolarHBondContact O-N 3.28Å; I53-F182 HydrophobicContact CG2-CE2 3.95Å; I53-F182 HydrophobicContact CG2-CZ 3.69Å; I53-Y186 HydrophobicContact CD1-CD2 3.97Å; I53-Y186 HydrophobicContact CD1-CE2 4.27Å; I53-Y186 HydrophobicContact CG1-CD2 4.34Å; I53-Y186 HydrophobicContact CG1-CE2 4.18Å; I53-Y186 HydrophobicContact CG2-CD2 3.83Å; I53-Y186 HydrophobicContact CG2-CE2 3.89Å; I53-I193 HydrophobicContact CD1-CD1 3.55Å; I53-I193 HydrophobicContact CG1-CD1 4.17Å; I53-I193 HydrophobicContact CG1-CG2 4.07Å |
| 54 | L | 83.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64 | -38.7 | 176.8 | -72.7 | 172.9 | 0 | 0 | 0 | 111.5 | V45 F49 N50 E51 D52 Q58 | V45-L54 HydrophobicContact CG1-CD2 4.44Å; V45-L54 HydrophobicContact CG2-CD2 4.34Å; F49-L54 HydrophobicContact CB-CD1 4.5Å; F49-L54 HydrophobicContact CB-CD2 3.7Å; F49-L54 HydrophobicContact CB-CG 3.73Å; F49-L54 HydrophobicContact CD2-CD2 3.83Å; F49-L54 HydrophobicContact CG-CD2 4.19Å; N50-L54 WeakPolarHBondContact O-CG 3.5Å; N50-L54 PolarHBondContact O-N 3.04Å; E51-L54 PolarHBondContact O-N 2.73Å; D52-L54 VanDerWaalsContact C-N 3.35Å; D52-L54 PolarHBondContact O-N 3.31Å; L54-Q58 WeakPolarHBondContact O-CB 3.48Å; L54-Q58 PolarHBondContact O-N 3.33Å |
| 55 | F | 85.6 | Confident | 84.3 | Confident | 116 Ų | 116 | 43 Ų | 43 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.4 | -48.7 | 174 | -176.9 | -100.2 | 0 | 0 | 0 | 111.9 | E51 D52 I53 R57 Q58 L59 Y71 | E51-F55 WeakPolarHBondContact O-CB 2.95Å; E51-F55 PolarHBondContact O-N 3.29Å; D52-F55 PolarHBondContact O-N 3.1Å; I53-F55 VanDerWaalsContact C-N 3.32Å; I53-F55 PolarHBondContact O-N 3.31Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.38Å; F55-Q58 PolarHBondContact O-N 3.16Å; F55-L59 HydrophobicContact CD1-CD1 4.22Å; F55-L59 HydrophobicContact CD1-CG 4.49Å; F55-L59 HydrophobicContact CE1-CD1 3.76Å; F55-L59 HydrophobicContact CE1-CD2 4.34Å; F55-L59 HydrophobicContact CE1-CG 4.14Å; F55-L59 HydrophobicContact CZ-CD1 4.37Å; F55-L59 HydrophobicContact CZ-CD2 4.12Å; F55-L59 HydrophobicContact CZ-CG 4.38Å; F55-L59 PolarHBondContact O-N 3.01Å; F55-Y71 AromaticContact CD1-CD2 3.95Å; F55-Y71 HydrophobicContact CD1-CD2 3.95Å; F55-Y71 AromaticContact CD1-CE2 3.6Å; F55-Y71 HydrophobicContact CD1-CE2 3.6Å; F55-Y71 AromaticContact CE1-CD2 3.95Å; F55-Y71 HydrophobicContact CE1-CD2 3.95Å; F55-Y71 HydrophobicContact CE1-CE2 4Å |
| 56 | F | 87.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 175.5 | -179.9 | -115.2 | 0 | 0 | 0 | 112.6 | D52 I53 Q58 L59 I60 A68 Y71 L72 F182 I185 L189 | D52-F56 PolarHBondContact O-N 3.09Å; I53-F56 PolarHBondContact O-N 3.21Å; F56-Q58 VanDerWaalsContact C-N 3.32Å; F56-Q58 PolarHBondContact O-N 3.48Å; F56-L59 PolarHBondContact O-N 2.85Å; F56-I60 HydrophobicContact CD1-CD1 4.24Å; F56-I60 HydrophobicContact CE1-CD1 3.65Å; F56-I60 HydrophobicContact CE2-CD1 4.21Å; F56-I60 HydrophobicContact CZ-CD1 3.65Å; F56-I60 HydrophobicContact CZ-CG1 4.47Å; F56-I60 PolarHBondContact O-N 2.83Å; F56-A68 HydrophobicContact CE2-CB 4.27Å; F56-Y71 HydrophobicContact CB-CD1 3.98Å; F56-Y71 HydrophobicContact CB-CE1 3.69Å; F56-Y71 AromaticContact CD2-CD1 3.33Å; F56-Y71 HydrophobicContact CD2-CD1 3.33Å; F56-Y71 AromaticContact CD2-CE1 3.92Å; F56-Y71 HydrophobicContact CD2-CE1 3.92Å; F56-Y71 AromaticContact CD2-CG 3.97Å; F56-Y71 HydrophobicContact CD2-CG 3.97Å; F56-Y71 HydrophobicContact CE2-CD1 4.08Å; F56-Y71 AromaticContact CG-CD1 3.91Å; F56-Y71 HydrophobicContact CG-CD1 3.91Å; F56-Y71 HydrophobicContact CG-CE1 4.02Å; F56-L72 HydrophobicContact CE2-CD1 4.37Å; F56-L72 HydrophobicContact CE2-CD2 3.96Å; F56-L72 HydrophobicContact CE2-CG 3.96Å; F56-L72 HydrophobicContact CZ-CD1 4.25Å; F56-L72 HydrophobicContact CZ-CD2 3.95Å; F56-L72 HydrophobicContact CZ-CG 4.2Å; F56-F182 HydrophobicContact CD1-CD2 4.38Å; F56-F182 HydrophobicContact CD1-CE2 4.35Å; F56-I185 HydrophobicContact CE1-CB 4.49Å; F56-I185 HydrophobicContact CE1-CG2 3.73Å; F56-I185 HydrophobicContact CZ-CG2 3.95Å; F56-L189 HydrophobicContact CD1-CD1 3.9Å; F56-L189 HydrophobicContact CE1-CD1 3.53Å; F56-L189 HydrophobicContact CZ-CD1 4.11Å |
| 57 | R | 88.9 | Confident | 85 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59 | -43.3 | 172.6 | -172.9 | 178.4 | 179.5 | -100.8 | 11.8 | 111.2 | E39 I53 F55 I60 L61 F182 | E39-R57 VanDerWaalsContact CD-NH2 3.29Å; E39-R57 IonicContact OE1-CZ 3.19Å; E39-R57 IonicContact OE1-NH1 2.73Å; E39-R57 IonicContact OE1-NH2 3.3Å; E39-R57 PolarHBondContact OE1-NH2 3.2Å; E39-R57 IonicContact OE2-CZ 2.93Å; E39-R57 VanDerWaalsContact OE2-CZ 3.32Å; E39-R57 IonicContact OE2-NH1 3.82Å; E39-R57 PolarHBondContact OE2-NH1 3.11Å; E39-R57 IonicContact OE2-NH2 3.6Å; E39-R57 PolarHBondContact OE2-NH2 3.43Å; I53-R57 WeakPolarHBondContact O-CB 3.34Å; I53-R57 PolarHBondContact O-N 3.28Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.31Å; R57-I60 PolarHBondContact O-N 2.84Å; R57-L61 HydrophobicContact CG-CD1 3.71Å; R57-L61 HydrophobicContact CG-CG 4.28Å; R57-L61 WeakPolarHBondContact O-CB 3.39Å; R57-L61 WeakPolarHBondContact O-CG 3.3Å; R57-L61 PolarHBondContact O-N 3.33Å; R57-F182 HydrophobicContact CB-CD2 3.72Å; R57-F182 HydrophobicContact CB-CE1 4.44Å; R57-F182 HydrophobicContact CB-CE2 3.47Å; R57-F182 VanDerWaalsContact CB-CE2 3.47Å; R57-F182 HydrophobicContact CB-CG 4.31Å; R57-F182 HydrophobicContact CB-CZ 3.87Å; R57-F182 HydrophobicContact CG-CD1 3.92Å; R57-F182 HydrophobicContact CG-CD2 3.79Å; R57-F182 HydrophobicContact CG-CE1 3.93Å; R57-F182 HydrophobicContact CG-CE2 3.81Å; R57-F182 HydrophobicContact CG-CG 3.85Å; R57-F182 HydrophobicContact CG-CZ 3.87Å |
| 58 | Q | 85.7 | Confident | 85.5 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.9 | -44 | 178.4 | -170.4 | 71.4 | 7.5 | 0 | 0 | 111.9 | L54 F55 F56 I60 L61 E62 | L54-Q58 WeakPolarHBondContact O-CB 3.48Å; L54-Q58 PolarHBondContact O-N 3.33Å; F55-Q58 WeakPolarHBondContact O-CB 3.38Å; F55-Q58 PolarHBondContact O-N 3.16Å; F56-Q58 VanDerWaalsContact C-N 3.32Å; F56-Q58 PolarHBondContact O-N 3.48Å; Q58-I60 VanDerWaalsContact C-N 3.34Å; Q58-I60 PolarHBondContact O-N 2.94Å; Q58-L61 PolarHBondContact O-N 2.97Å; Q58-L61 VanDerWaalsContact O-N 3.16Å; Q58-E62 HydrophobicContact CG-CG 4.19Å; Q58-E62 PolarHBondContact NE2-OE1 2.9Å; Q58-E62 WeakPolarHBondContact O-CB 3.17Å; Q58-E62 WeakPolarHBondContact O-CG 3.28Å; Q58-E62 PolarHBondContact O-N 3.03Å |
| 59 | L | 89.3 | Confident | 86.1 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 177 | -63.8 | 177.3 | 0 | 0 | 0 | 111.8 | F55 F56 E62 G63 H64 D67 A68 Y71 | F55-L59 HydrophobicContact CD1-CD1 4.22Å; F55-L59 HydrophobicContact CD1-CG 4.49Å; F55-L59 HydrophobicContact CE1-CD1 3.76Å; F55-L59 HydrophobicContact CE1-CD2 4.34Å; F55-L59 HydrophobicContact CE1-CG 4.14Å; F55-L59 HydrophobicContact CZ-CD1 4.37Å; F55-L59 HydrophobicContact CZ-CD2 4.12Å; F55-L59 HydrophobicContact CZ-CG 4.38Å; F55-L59 PolarHBondContact O-N 3.01Å; F56-L59 PolarHBondContact O-N 2.85Å; L59-E62 PolarHBondContact O-N 3.41Å; L59-G63 PolarHBondContact O-N 2.85Å; L59-G63 VanDerWaalsContact O-N 3.07Å; L59-H64 HydrophobicContact CD2-CB 4.31Å; L59-H64 PolarHBondContact O-N 2.81Å; L59-D67 HydrophobicContact CD1-CB 4.2Å; L59-D67 HydrophobicContact CD2-CB 3.98Å; L59-A68 HydrophobicContact CB-CB 4.09Å; L59-Y71 HydrophobicContact CD1-CD2 4.32Å; L59-Y71 HydrophobicContact CD1-CG 4.35Å |
| 60 | I | 89.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 176.2 | -64.5 | 176.1 | 0 | 0 | 0 | 111 | F56 R57 Q58 E62 G63 W65 A68 L91 R178 C181 F182 I185 | F56-I60 HydrophobicContact CD1-CD1 4.24Å; F56-I60 HydrophobicContact CE1-CD1 3.65Å; F56-I60 HydrophobicContact CE2-CD1 4.21Å; F56-I60 HydrophobicContact CZ-CD1 3.65Å; F56-I60 HydrophobicContact CZ-CG1 4.47Å; F56-I60 PolarHBondContact O-N 2.83Å; R57-I60 PolarHBondContact O-N 2.84Å; Q58-I60 VanDerWaalsContact C-N 3.34Å; Q58-I60 PolarHBondContact O-N 2.94Å; I60-E62 VanDerWaalsContact C-N 3.34Å; I60-E62 PolarHBondContact O-N 3.33Å; I60-G63 PolarHBondContact O-N 3.37Å; I60-W65 HydrophobicContact CG2-CH2 4.35Å; I60-W65 HydrophobicContact CG2-CZ3 4.13Å; I60-A68 HydrophobicContact CG1-CB 4.14Å; I60-L91 HydrophobicContact CD1-CD2 3.82Å; I60-L91 HydrophobicContact CG1-CD2 3.79Å; I60-R178 HydrophobicContact CG2-CB 4.18Å; I60-R178 WeakPolarHBondContact CG2-O 3.33Å; I60-R178 WeakPolarHBondContact O-CB 3.44Å; I60-R178 WeakPolarHBondContact O-CD 3.22Å; I60-R178 WeakPolarHBondContact O-CG 3.47Å; I60-C181 HydrophobicContact CG2-CB 4.14Å; I60-F182 HydrophobicContact CD1-CB 4.25Å; I60-F182 HydrophobicContact CD1-CD2 4.33Å; I60-F182 HydrophobicContact CG2-CB 4.31Å; I60-I185 HydrophobicContact CD1-CD1 4.23Å |
| 61 | L | 86.8 | Confident | 87 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.4 | -28.5 | -178.5 | -70 | 173.2 | 0 | 0 | 0 | 113.7 | L36 R57 Q58 R178 | L36-L61 HydrophobicContact CD1-CD2 3.87Å; L36-L61 HydrophobicContact CD2-CD1 3.53Å; L36-L61 HydrophobicContact CD2-CD2 3.91Å; L36-L61 HydrophobicContact CD2-CG 4.32Å; R57-L61 HydrophobicContact CG-CD1 3.71Å; R57-L61 HydrophobicContact CG-CG 4.28Å; R57-L61 WeakPolarHBondContact O-CB 3.39Å; R57-L61 WeakPolarHBondContact O-CG 3.3Å; R57-L61 PolarHBondContact O-N 3.33Å; Q58-L61 PolarHBondContact O-N 2.97Å; Q58-L61 VanDerWaalsContact O-N 3.16Å; L61-R178 HydrophobicContact CD2-CB 4.29Å; L61-R178 WeakPolarHBondContact O-CD 3.4Å; L61-R178 PolarHBondContact O-NH1 3.45Å |
| 62 | E | 84 | Confident | 87.6 | Confident | 73 Ų | 73 | 43.5 Ų | 43.5 | 34% | 0.341 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -78.6 | -22.6 | 172.4 | -71.4 | -179.3 | 166.5 | 0 | 0 | 112.4 | Q58 L59 I60 H64 R178 | Q58-E62 HydrophobicContact CG-CG 4.19Å; Q58-E62 PolarHBondContact NE2-OE1 2.9Å; Q58-E62 WeakPolarHBondContact O-CB 3.17Å; Q58-E62 WeakPolarHBondContact O-CG 3.28Å; Q58-E62 PolarHBondContact O-N 3.03Å; L59-E62 PolarHBondContact O-N 3.41Å; I60-E62 VanDerWaalsContact C-N 3.34Å; I60-E62 PolarHBondContact O-N 3.33Å; E62-H64 IonicContact OE2-CE1 3.34Å; E62-H64 PolarHBondContact OE2-CE1 2.96Å; E62-H64 IonicContact OE2-ND1 3.33Å; E62-H64 PolarHBondContact OE2-ND1 3.24Å; E62-R178 PolarHBondContact O-NH1 3.41Å; E62-R178 PolarHBondContact O-NH2 2.94Å |
| 63 | G | 86.3 | Confident | 87.7 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 20.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L59 I60 W65 R178 | L59-G63 PolarHBondContact O-N 2.85Å; L59-G63 VanDerWaalsContact O-N 3.07Å; I60-G63 PolarHBondContact O-N 3.37Å; G63-W65 PolarHBondContact O-N 2.89Å; G63-R178 VanDerWaalsContact CA-CZ 3.47Å |
| 64 | H | 90.3 | Very high | 87.4 | Confident | 82 Ų | 82 | 46.5 Ų | 46.5 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | trans | -79.5 | 64.8 | 173.3 | -59 | 150.2 | 0 | 0 | 0 | 108.9 | L59 E62 D66 D67 A68 | L59-H64 HydrophobicContact CD2-CB 4.31Å; L59-H64 PolarHBondContact O-N 2.81Å; E62-H64 IonicContact OE2-CE1 3.34Å; E62-H64 PolarHBondContact OE2-CE1 2.96Å; E62-H64 IonicContact OE2-ND1 3.33Å; E62-H64 PolarHBondContact OE2-ND1 3.24Å; H64-D66 VanDerWaalsContact C-N 3.26Å; H64-D66 PolarHBondContact O-N 3.02Å; H64-D67 HydrophobicContact CB-CB 4.05Å; H64-D67 IonicContact CG-OD2 3.64Å; H64-D67 PolarHBondContact O-N 3.21Å; H64-A68 WeakPolarHBondContact O-CB 3.17Å; H64-A68 PolarHBondContact O-N 2.93Å | ||
| 65 | W | 92.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 5% | 0.045 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -33.8 | -171.3 | -61.6 | 106.9 | 0 | 0 | 0 | 113.2 | I60 G63 L69 L91 H94 K95 E98 R178 C181 | I60-W65 HydrophobicContact CG2-CH2 4.35Å; I60-W65 HydrophobicContact CG2-CZ3 4.13Å; G63-W65 PolarHBondContact O-N 2.89Å; W65-L69 WeakPolarHBondContact O-CG 3.39Å; W65-L69 PolarHBondContact O-N 3.04Å; W65-L69 VanDerWaalsContact O-N 3.1Å; W65-L91 HydrophobicContact CE3-CD2 4.07Å; W65-L91 HydrophobicContact CZ3-CD2 4.17Å; W65-H94 HydrophobicContact CH2-CB 3.45Å; W65-H94 VanDerWaalsContact CH2-CB 3.45Å; W65-H94 HydrophobicContact CZ2-CB 4.2Å; W65-H94 HydrophobicContact CZ3-CB 3.73Å; W65-K95 HydrophobicContact CB-CB 4.03Å; W65-K95 HydrophobicContact CB-CD 3.72Å; W65-K95 HydrophobicContact CB-CG 3.82Å; W65-K95 HydrophobicContact CD2-CB 3.94Å; W65-K95 HydrophobicContact CD2-CG 4.44Å; W65-K95 HydrophobicContact CE3-CB 4.44Å; W65-K95 HydrophobicContact CG-CB 3.74Å; W65-K95 HydrophobicContact CG-CD 4.22Å; W65-K95 HydrophobicContact CG-CG 3.73Å; W65-E98 PolarHBondContact NE1-OE1 3.46Å; W65-R178 HydrophobicContact CH2-CB 4.48Å; W65-R178 HydrophobicContact CH2-CG 3.74Å; W65-R178 HydrophobicContact CZ2-CG 3.62Å; W65-C181 HydrophobicContact CH2-CB 4.47Å; W65-C181 HydrophobicContact CZ3-CB 4.39Å |
| 66 | D | 90.5 | Very high | 86.7 | Confident | 81 Ų | 81 | 46.6 Ų | 46.6 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -78.1 | -42.4 | 179.1 | -63.3 | -53.3 | 0 | 0 | 0 | 111.8 | H64 A68 L69 D70 K95 | H64-D66 VanDerWaalsContact C-N 3.26Å; H64-D66 PolarHBondContact O-N 3.02Å; D66-A68 PolarHBondContact O-N 3.13Å; D66-L69 WeakPolarHBondContact O-CB 3.45Å; D66-L69 PolarHBondContact O-N 2.99Å; D66-D70 PolarHBondContact O-N 3.44Å; D66-K95 IonicContact OD1-NZ 3Å; D66-K95 PolarHBondContact OD1-NZ 2.82Å; D66-K95 IonicContact OD2-NZ 2.73Å; D66-K95 PolarHBondContact OD2-NZ 2.65Å |
| 67 | D | 89.7 | Confident | 85.8 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.4 | -35.5 | 170 | -65.4 | -37.9 | 0 | 0 | 0 | 111.4 | L59 H64 Y71 | L59-D67 HydrophobicContact CD1-CB 4.2Å; L59-D67 HydrophobicContact CD2-CB 3.98Å; H64-D67 HydrophobicContact CB-CB 4.05Å; H64-D67 IonicContact CG-OD2 3.64Å; H64-D67 PolarHBondContact O-N 3.21Å; D67-Y71 VanDerWaalsContact O-CB 3.28Å; D67-Y71 WeakPolarHBondContact O-CB 3.43Å; D67-Y71 PolarHBondContact O-N 2.8Å |
| 68 | A | 89.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.7 | -28.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F56 L59 I60 H64 D66 L72 L91 | F56-A68 HydrophobicContact CE2-CB 4.27Å; L59-A68 HydrophobicContact CB-CB 4.09Å; I60-A68 HydrophobicContact CG1-CB 4.14Å; H64-A68 WeakPolarHBondContact O-CB 3.17Å; H64-A68 PolarHBondContact O-N 2.93Å; D66-A68 PolarHBondContact O-N 3.13Å; A68-L72 WeakPolarHBondContact O-CG 3.43Å; A68-L91 HydrophobicContact CB-CD1 4.19Å; A68-L91 HydrophobicContact CB-CD2 4.01Å |
| 69 | L | 90.4 | Very high | 83.4 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.4 | -46.9 | 171.1 | -75.9 | 163.5 | 0 | 0 | 0 | 110.7 | W65 D66 Y71 L72 E73 R88 L91 L92 | W65-L69 WeakPolarHBondContact O-CG 3.39Å; W65-L69 PolarHBondContact O-N 3.04Å; W65-L69 VanDerWaalsContact O-N 3.1Å; D66-L69 WeakPolarHBondContact O-CB 3.45Å; D66-L69 PolarHBondContact O-N 2.99Å; L69-Y71 VanDerWaalsContact C-N 3.27Å; L69-Y71 PolarHBondContact O-N 3.4Å; L69-L72 WeakPolarHBondContact O-CB 3.32Å; L69-L72 PolarHBondContact O-N 2.86Å; L69-E73 PolarHBondContact O-N 2.68Å; L69-R88 HydrophobicContact CD2-CB 4.09Å; L69-R88 HydrophobicContact CD2-CG 3.9Å; L69-L91 HydrophobicContact CD2-CB 4.05Å; L69-L91 HydrophobicContact CD2-CD1 3.76Å; L69-L91 HydrophobicContact CG-CB 4.33Å; L69-L91 HydrophobicContact CG-CD1 3.95Å; L69-L92 HydrophobicContact CD1-CD2 3.88Å; L69-L92 HydrophobicContact CD1-CG 4.21Å; L69-L92 HydrophobicContact CD2-CG 4.46Å |
| 70 | D | 89.2 | Confident | 82.3 | Confident | 118 Ų | 118 | 56.9 Ų | 56.9 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.2 | -33.5 | 177 | -84.4 | 2.1 | 0 | 0 | 0 | 112.2 | D66 L72 E73 P74 | D66-D70 PolarHBondContact O-N 3.44Å; D70-L72 PolarHBondContact O-N 2.83Å; D70-E73 PolarHBondContact O-N 2.95Å; D70-P74 VanDerWaalsContact O-CD 3.25Å; D70-P74 WeakPolarHBondContact O-CD 3.3Å |
| 71 | Y | 87.5 | Confident | 81.2 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.3 | 173 | -170.1 | -89.6 | 0 | 0 | 0 | 113.3 | D52 F55 F56 L59 D67 L69 | D52-Y71 WeakPolarHBondContact CB-OH 3.49Å; D52-Y71 PolarHBondContact O-OH 3.15Å; F55-Y71 AromaticContact CD1-CD2 3.95Å; F55-Y71 HydrophobicContact CD1-CD2 3.95Å; F55-Y71 AromaticContact CD1-CE2 3.6Å; F55-Y71 HydrophobicContact CD1-CE2 3.6Å; F55-Y71 AromaticContact CE1-CD2 3.95Å; F55-Y71 HydrophobicContact CE1-CD2 3.95Å; F55-Y71 HydrophobicContact CE1-CE2 4Å; F56-Y71 HydrophobicContact CB-CD1 3.98Å; F56-Y71 HydrophobicContact CB-CE1 3.69Å; F56-Y71 AromaticContact CD2-CD1 3.33Å; F56-Y71 HydrophobicContact CD2-CD1 3.33Å; F56-Y71 AromaticContact CD2-CE1 3.92Å; F56-Y71 HydrophobicContact CD2-CE1 3.92Å; F56-Y71 AromaticContact CD2-CG 3.97Å; F56-Y71 HydrophobicContact CD2-CG 3.97Å; F56-Y71 HydrophobicContact CE2-CD1 4.08Å; F56-Y71 AromaticContact CG-CD1 3.91Å; F56-Y71 HydrophobicContact CG-CD1 3.91Å; F56-Y71 HydrophobicContact CG-CE1 4.02Å; L59-Y71 HydrophobicContact CD1-CD2 4.32Å; L59-Y71 HydrophobicContact CD1-CG 4.35Å; D67-Y71 VanDerWaalsContact O-CB 3.28Å; D67-Y71 WeakPolarHBondContact O-CB 3.43Å; D67-Y71 PolarHBondContact O-N 2.8Å; L69-Y71 VanDerWaalsContact C-N 3.27Å; L69-Y71 PolarHBondContact O-N 3.4Å |
| 72 | L | 86.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -28.7 | -179.8 | -69.4 | 177.8 | 0 | 0 | 0 | 113.9 | F56 A68 L69 D70 P74 L75 L84 P87 L91 L189 | F56-L72 HydrophobicContact CE2-CD1 4.37Å; F56-L72 HydrophobicContact CE2-CD2 3.96Å; F56-L72 HydrophobicContact CE2-CG 3.96Å; F56-L72 HydrophobicContact CZ-CD1 4.25Å; F56-L72 HydrophobicContact CZ-CD2 3.95Å; F56-L72 HydrophobicContact CZ-CG 4.2Å; A68-L72 WeakPolarHBondContact O-CG 3.43Å; L69-L72 WeakPolarHBondContact O-CB 3.32Å; L69-L72 PolarHBondContact O-N 2.86Å; D70-L72 PolarHBondContact O-N 2.83Å; L72-P74 VanDerWaalsContact C-N 3.31Å; L72-L75 HydrophobicContact CD2-CD1 4.07Å; L72-L75 WeakPolarHBondContact O-CB 3.48Å; L72-L75 PolarHBondContact O-N 2.96Å; L72-L84 HydrophobicContact CB-CD1 4.45Å; L72-L84 HydrophobicContact CB-CD2 4.02Å; L72-L84 VanDerWaalsContact O-CD1 3.32Å; L72-L84 WeakPolarHBondContact O-CD1 3.1Å; L72-P87 HydrophobicContact CD1-CB 3.71Å; L72-L91 HydrophobicContact CD1-CD1 3.57Å; L72-L189 HydrophobicContact CD2-CD1 4.03Å; L72-L189 HydrophobicContact CD2-CD2 3.99Å |
| 73 | E | 83.4 | Confident | 80.7 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 27% | 0.271 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -55 | -32.9 | -178 | -70.2 | -64.1 | 144.7 | 0 | 0 | 114.8 | L69 D70 L75 R76 R88 | L69-E73 PolarHBondContact O-N 2.68Å; D70-E73 PolarHBondContact O-N 2.95Å; E73-L75 PolarHBondContact O-N 3.42Å; E73-R76 WeakPolarHBondContact O-CB 3.36Å; E73-R76 PolarHBondContact O-N 3.09Å; E73-R76 VanDerWaalsContact O-N 3.09Å; E73-R76 IonicContact OE1-NH1 2.95Å; E73-R76 PolarHBondContact OE1-NH1 3.11Å; E73-R76 WeakPolarHBondContact OE2-CD 3.36Å; E73-R76 IonicContact OE2-CZ 2.68Å; E73-R76 IonicContact OE2-NE 3.09Å; E73-R76 IonicContact OE2-NH1 2.82Å; E73-R76 PolarHBondContact OE2-NH1 3.17Å; E73-R88 IonicContact OE1-CZ 3.17Å; E73-R88 IonicContact OE1-NE 2.67Å; E73-R88 IonicContact OE1-NH1 3.87Å; E73-R88 PolarHBondContact OE1-NH1 3.36Å |
| 74 | P | 79.9 | Confident | 80.7 | Confident | 96 Ų | 96 | 66 Ų | 66 | 62% | 0.623 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -58.7 | -24.3 | 170.4 | -27.8 | 36.4 | 0 | 0 | 0 | 115.3 | D70 L72 R76 | D70-P74 VanDerWaalsContact O-CD 3.25Å; D70-P74 WeakPolarHBondContact O-CD 3.3Å; L72-P74 VanDerWaalsContact C-N 3.31Å; P74-R76 PolarHBondContact O-N 2.72Å |
| 75 | L | 79.4 | Confident | 80.5 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -85 | 7.6 | 177.6 | -55.1 | 176.8 | 0 | 0 | 0 | 113.2 | L72 E73 V80 L82 L84 L189 | L72-L75 HydrophobicContact CD2-CD1 4.07Å; L72-L75 WeakPolarHBondContact O-CB 3.48Å; L72-L75 PolarHBondContact O-N 2.96Å; E73-L75 PolarHBondContact O-N 3.42Å; L75-V80 CarbonylContact C-O 3.51Å; L75-V80 HydrophobicContact CD2-CG1 4.38Å; L75-L82 HydrophobicContact CB-CB 4.44Å; L75-L82 HydrophobicContact CD1-CD1 4.48Å; L75-L82 WeakPolarHBondContact O-CB 3.27Å; L75-L82 PolarHBondContact O-N 2.92Å; L75-L84 HydrophobicContact CB-CD2 4.28Å; L75-L189 HydrophobicContact CD1-CD2 4.01Å |
| 76 | R | 74.6 | Confident | 80.4 | Confident | 151 Ų | 151 | 72 Ų | 72 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -88 | -12.2 | 175.7 | -158.2 | 173.3 | -174 | 154.1 | 6 | 113.4 | E73 P74 L84 | E73-R76 WeakPolarHBondContact O-CB 3.36Å; E73-R76 PolarHBondContact O-N 3.09Å; E73-R76 VanDerWaalsContact O-N 3.09Å; E73-R76 IonicContact OE1-NH1 2.95Å; E73-R76 PolarHBondContact OE1-NH1 3.11Å; E73-R76 WeakPolarHBondContact OE2-CD 3.36Å; E73-R76 IonicContact OE2-CZ 2.68Å; E73-R76 IonicContact OE2-NE 3.09Å; E73-R76 IonicContact OE2-NH1 2.82Å; E73-R76 PolarHBondContact OE2-NH1 3.17Å; P74-R76 PolarHBondContact O-N 2.72Å; R76-L84 HydrophobicContact CB-CD1 3.69Å; R76-L84 HydrophobicContact CG-CD1 4.05Å |
| 77 | G | 68.4 | Low | 80.4 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -130.3 | 158.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | V80 | G77-V80 CarbonylContact C-O 3.46Å; G77-V80 PolarHBondContact N-O 2.85Å; G77-V80 CarbonylContact O-C 3.56Å; G77-V80 PolarHBondContact O-N 3.04Å; G77-V80 VanDerWaalsContact O-N 3.12Å |
| 78 | P | 62.5 | Low | 80.5 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 70% | 0.701 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 134.9 | -178.9 | 23.3 | -34.4 | 0 | 0 | 0 | 111.1 | ||
| 79 | P | 61.7 | Low | 80.7 | Confident | 137 Ų | 137 | 66.6 Ų | 66.6 | 89% | 0.89 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.4 | 3.3 | 22 | 36.3 | -37.9 | 0 | 0 | 0 | 116.5 | ||
| 80 | V | 65.1 | Low | 80.8 | Confident | 35 Ų | 35 | 66.9 Ų | 66.9 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | trans | -123.5 | 109.4 | -178.5 | 169.5 | 0 | 0 | 0 | 0 | 109.8 | L75 G77 L82 F192 | L75-V80 CarbonylContact C-O 3.51Å; L75-V80 HydrophobicContact CD2-CG1 4.38Å; G77-V80 CarbonylContact C-O 3.46Å; G77-V80 PolarHBondContact N-O 2.85Å; G77-V80 CarbonylContact O-C 3.56Å; G77-V80 PolarHBondContact O-N 3.04Å; G77-V80 VanDerWaalsContact O-N 3.12Å; V80-L82 HydrophobicContact CG1-CB 4.15Å; V80-L82 PolarHBondContact O-N 2.95Å; V80-F192 HydrophobicContact CG1-CB 4.15Å; V80-F192 HydrophobicContact CG1-CD1 3.56Å; V80-F192 HydrophobicContact CG1-CE1 4.21Å; V80-F192 HydrophobicContact CG1-CG 4.04Å; V80-F192 HydrophobicContact CG2-CD1 4.47Å | ||
| 81 | E | 68.2 | Low | 81 | Confident | 159 Ų | 159 | 61.2 Ų | 61.2 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | trans | -96.8 | 87.2 | 173.8 | -65.9 | -177.4 | 173.6 | 0 | 0 | 109.1 | ||||
| 82 | L | 77.2 | Confident | 81.3 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | trans | -97.2 | 133.6 | 177.8 | -152.8 | 157.2 | 0 | 0 | 0 | 109.8 | L75 V80 L84 P87 L189 F192 | L75-L82 HydrophobicContact CB-CB 4.44Å; L75-L82 HydrophobicContact CD1-CD1 4.48Å; L75-L82 WeakPolarHBondContact O-CB 3.27Å; L75-L82 PolarHBondContact O-N 2.92Å; V80-L82 HydrophobicContact CG1-CB 4.15Å; V80-L82 PolarHBondContact O-N 2.95Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 HydrophobicContact CD2-CD2 4.18Å; L82-L84 PolarHBondContact O-N 3.24Å; L82-P87 HydrophobicContact CD2-CG 4.2Å; L82-L189 HydrophobicContact CD1-CD2 3.82Å; L82-F192 HydrophobicContact CD1-CB 4.38Å; L82-F192 HydrophobicContact CD1-CD2 3.34Å; L82-F192 HydrophobicContact CD1-CE2 3.61Å; L82-F192 HydrophobicContact CD1-CG 3.84Å; L82-F192 HydrophobicContact CD1-CZ 4.29Å; L82-F192 HydrophobicContact CG-CD2 4.04Å; L82-F192 HydrophobicContact CG-CE2 3.76Å; L82-F192 HydrophobicContact CG-CZ 4.1Å | ||
| 83 | D | 82.8 | Confident | 81.6 | Confident | 106 Ų | 106 | 60.3 Ų | 60.3 | 57% | 0.567 | 31% | 0.31 | S | S | * | . | trans | -71.4 | 90.8 | 170 | -174.2 | 4.2 | 0 | 0 | 0 | 110.2 | R85 P87 | D83-R85 PolarHBondContact O-N 3.16Å; D83-R85 VanDerWaalsContact OD1-CB 3.27Å; D83-R85 WeakPolarHBondContact OD1-CB 3.24Å; D83-R85 PolarHBondContact OD1-N 3.09Å; D83-R85 VanDerWaalsContact OD1-N 3.1Å; D83-P87 WeakPolarHBondContact O-CD 3.2Å | ||
| 84 | L | 84.9 | Confident | 82.1 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.6 | -179.1 | -69.6 | -175.2 | 0 | 0 | 0 | 114.1 | L72 L75 R76 L82 K86 P87 R88 | L72-L84 HydrophobicContact CB-CD1 4.45Å; L72-L84 HydrophobicContact CB-CD2 4.02Å; L72-L84 VanDerWaalsContact O-CD1 3.32Å; L72-L84 WeakPolarHBondContact O-CD1 3.1Å; L75-L84 HydrophobicContact CB-CD2 4.28Å; R76-L84 HydrophobicContact CB-CD1 3.69Å; R76-L84 HydrophobicContact CG-CD1 4.05Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 HydrophobicContact CD2-CD2 4.18Å; L82-L84 PolarHBondContact O-N 3.24Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.28Å; L84-P87 WeakPolarHBondContact O-CD 3.49Å; L84-R88 HydrophobicContact CB-CG 4.15Å; L84-R88 VanDerWaalsContact O-CB 3.23Å; L84-R88 WeakPolarHBondContact O-CB 3.22Å; L84-R88 WeakPolarHBondContact O-CG 3.13Å; L84-R88 PolarHBondContact O-N 2.97Å |
| 85 | R | 87.4 | Confident | 82.7 | Confident | 131 Ų | 131 | 54.6 Ų | 54.6 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.7 | -47.2 | -177.2 | -167.2 | -175.2 | -48.7 | 163.6 | 14.1 | 112 | D83 R88 F89 E144 | D83-R85 PolarHBondContact O-N 3.16Å; D83-R85 VanDerWaalsContact OD1-CB 3.27Å; D83-R85 WeakPolarHBondContact OD1-CB 3.24Å; D83-R85 PolarHBondContact OD1-N 3.09Å; D83-R85 VanDerWaalsContact OD1-N 3.1Å; R85-R88 PolarHBondContact O-N 2.86Å; R85-F89 WeakPolarHBondContact O-CB 3.2Å; R85-F89 PolarHBondContact O-N 2.66Å; R85-E144 WeakPolarHBondContact CA-OE2 3.31Å; R85-E144 WeakPolarHBondContact CG-OE2 3.2Å |
| 86 | K | 89.5 | Confident | 83.4 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.9 | -47.6 | -178.7 | -162.2 | -177.5 | -165.3 | 80.2 | 0 | 112.5 | L84 L90 E146 L188 | L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.28Å; K86-L90 VanDerWaalsContact O-CG 3.26Å; K86-L90 WeakPolarHBondContact O-CG 3.39Å; K86-L90 PolarHBondContact O-N 2.72Å; K86-E146 IonicContact NZ-OE1 2.83Å; K86-E146 PolarHBondContact NZ-OE1 2.92Å; K86-E146 IonicContact NZ-OE2 3.13Å; K86-L188 HydrophobicContact CB-CD1 4.35Å; K86-L188 HydrophobicContact CD-CD1 4.04Å; K86-L188 HydrophobicContact CD-CD2 4.4Å; K86-L188 HydrophobicContact CG-CD1 4.13Å |
| 87 | P | 90.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.1 | -45.2 | 169.5 | -29.2 | 36.1 | 0 | 0 | 0 | 114.9 | L72 L82 D83 L84 L90 L91 I185 L188 | L72-P87 HydrophobicContact CD1-CB 3.71Å; L82-P87 HydrophobicContact CD2-CG 4.2Å; D83-P87 WeakPolarHBondContact O-CD 3.2Å; L84-P87 WeakPolarHBondContact O-CD 3.49Å; P87-L90 PolarHBondContact O-N 3.17Å; P87-L91 PolarHBondContact O-N 2.58Å; P87-I185 HydrophobicContact CB-CG2 4.3Å; P87-L188 HydrophobicContact CG-CD1 4.08Å |
| 88 | R | 92.1 | Very high | 85.2 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | -179.7 | -72.2 | 169.8 | 54 | 73.2 | 21.3 | 111.5 | L69 E73 L84 R85 L90 L91 L92 E144 | L69-R88 HydrophobicContact CD2-CB 4.09Å; L69-R88 HydrophobicContact CD2-CG 3.9Å; E73-R88 IonicContact OE1-CZ 3.17Å; E73-R88 IonicContact OE1-NE 2.67Å; E73-R88 IonicContact OE1-NH1 3.87Å; E73-R88 PolarHBondContact OE1-NH1 3.36Å; L84-R88 HydrophobicContact CB-CG 4.15Å; L84-R88 VanDerWaalsContact O-CB 3.23Å; L84-R88 WeakPolarHBondContact O-CB 3.22Å; L84-R88 WeakPolarHBondContact O-CG 3.13Å; L84-R88 PolarHBondContact O-N 2.97Å; R85-R88 PolarHBondContact O-N 2.86Å; R88-L90 VanDerWaalsContact C-N 3.33Å; R88-L90 PolarHBondContact O-N 2.9Å; R88-L91 PolarHBondContact O-N 3.11Å; R88-L92 WeakPolarHBondContact O-CB 3.36Å; R88-L92 WeakPolarHBondContact O-CG 3.38Å; R88-L92 PolarHBondContact O-N 2.67Å; R88-E144 IonicContact CZ-OE1 2.69Å; R88-E144 IonicContact NE-OE1 2.79Å; R88-E144 PolarHBondContact NE-OE1 2.97Å; R88-E144 IonicContact NE-OE2 3.7Å; R88-E144 IonicContact NH2-OE1 3.17Å; R88-E144 PolarHBondContact NH2-OE1 3.23Å |
| 89 | F | 93.3 | Very high | 86.4 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.1 | -46.5 | 171.3 | 176.1 | -110.4 | 0 | 0 | 0 | 111.9 | R85 L91 L92 K93 L141 E144 C145 E150 L154 | R85-F89 WeakPolarHBondContact O-CB 3.2Å; R85-F89 PolarHBondContact O-N 2.66Å; F89-L91 PolarHBondContact O-N 2.98Å; F89-L92 PolarHBondContact O-N 2.85Å; F89-K93 HydrophobicContact CE1-CD 3.82Å; F89-K93 HydrophobicContact CZ-CB 4.4Å; F89-K93 HydrophobicContact CZ-CD 3.69Å; F89-K93 HydrophobicContact CZ-CG 4.42Å; F89-K93 WeakPolarHBondContact O-CB 3.36Å; F89-K93 PolarHBondContact O-N 3.29Å; F89-L141 HydrophobicContact CD2-CD1 3.76Å; F89-L141 HydrophobicContact CD2-CG 4.48Å; F89-L141 HydrophobicContact CE2-CD1 3.78Å; F89-L141 HydrophobicContact CE2-CG 4.22Å; F89-E144 HydrophobicContact CB-CB 4Å; F89-E144 HydrophobicContact CD2-CB 4.35Å; F89-C145 HydrophobicContact CE2-CB 4.42Å; F89-C145 VanDerWaalsContact CE2-SG 3.59Å; F89-E150 WeakPolarHBondContact CE1-OE1 3.32Å; F89-E150 HydrophobicContact CZ-CG 3.9Å; F89-E150 WeakPolarHBondContact CZ-OE1 3.1Å; F89-L154 HydrophobicContact CE2-CD1 4.17Å; F89-L154 HydrophobicContact CZ-CD1 4.11Å |
| 90 | L | 93 | Very high | 87.5 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | -179.7 | -72 | 175.5 | 0 | 0 | 0 | 113.2 | K86 P87 R88 H94 C181 Q184 I185 L188 | K86-L90 VanDerWaalsContact O-CG 3.26Å; K86-L90 WeakPolarHBondContact O-CG 3.39Å; K86-L90 PolarHBondContact O-N 2.72Å; P87-L90 PolarHBondContact O-N 3.17Å; R88-L90 VanDerWaalsContact C-N 3.33Å; R88-L90 PolarHBondContact O-N 2.9Å; L90-H94 PolarHBondContact O-N 3.13Å; L90-H94 PolarHBondContact O-ND1 3.21Å; L90-C181 PolarHBondContact O-SG 2.72Å; L90-C181 VanDerWaalsContact O-SG 3.41Å; L90-Q184 HydrophobicContact CD1-CB 3.87Å; L90-Q184 VanDerWaalsContact CD2-OE1 3.32Å; L90-I185 HydrophobicContact CB-CD1 3.95Å; L90-I185 HydrophobicContact CB-CG1 3.81Å; L90-I185 HydrophobicContact CD1-CG1 3.78Å; L90-I185 HydrophobicContact CG-CG1 4.48Å; L90-L188 HydrophobicContact CD1-CD1 4.21Å |
| 91 | L | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.6 | -52.2 | 172.6 | -72.3 | 172 | 0 | 0 | 0 | 111.3 | I60 W65 A68 L69 L72 P87 R88 F89 K93 H94 K95 I185 | I60-L91 HydrophobicContact CD1-CD2 3.82Å; I60-L91 HydrophobicContact CG1-CD2 3.79Å; W65-L91 HydrophobicContact CE3-CD2 4.07Å; W65-L91 HydrophobicContact CZ3-CD2 4.17Å; A68-L91 HydrophobicContact CB-CD1 4.19Å; A68-L91 HydrophobicContact CB-CD2 4.01Å; L69-L91 HydrophobicContact CD2-CB 4.05Å; L69-L91 HydrophobicContact CD2-CD1 3.76Å; L69-L91 HydrophobicContact CG-CB 4.33Å; L69-L91 HydrophobicContact CG-CD1 3.95Å; L72-L91 HydrophobicContact CD1-CD1 3.57Å; P87-L91 PolarHBondContact O-N 2.58Å; R88-L91 PolarHBondContact O-N 3.11Å; F89-L91 PolarHBondContact O-N 2.98Å; L91-K93 VanDerWaalsContact C-N 3.33Å; L91-K93 PolarHBondContact O-N 3.08Å; L91-H94 PolarHBondContact O-N 3.44Å; L91-K95 WeakPolarHBondContact O-CB 3.37Å; L91-K95 PolarHBondContact O-N 3.5Å; L91-I185 HydrophobicContact CD2-CD1 3.79Å; L91-I185 HydrophobicContact CG-CD1 3.74Å |
| 92 | L | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -35.5 | -178.2 | -71.6 | 165.6 | 0 | 0 | 0 | 112.5 | L69 R88 F89 K95 Y96 Q140 L141 E144 | L69-L92 HydrophobicContact CD1-CD2 3.88Å; L69-L92 HydrophobicContact CD1-CG 4.21Å; L69-L92 HydrophobicContact CD2-CG 4.46Å; R88-L92 WeakPolarHBondContact O-CB 3.36Å; R88-L92 WeakPolarHBondContact O-CG 3.38Å; R88-L92 PolarHBondContact O-N 2.67Å; F89-L92 PolarHBondContact O-N 2.85Å; L92-K95 HydrophobicContact CD2-CD 4.44Å; L92-K95 PolarHBondContact O-N 3.19Å; L92-Y96 VanDerWaalsContact O-CB 3.27Å; L92-Y96 WeakPolarHBondContact O-CB 3.34Å; L92-Y96 PolarHBondContact O-N 3.3Å; L92-Q140 HydrophobicContact CD1-CB 4.28Å; L92-Q140 HydrophobicContact CD2-CB 4.05Å; L92-L141 HydrophobicContact CB-CD1 3.58Å; L92-E144 HydrophobicContact CD1-CG 4Å |
| 93 | K | 93.5 | Very high | 88.4 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 17% | 0.17 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.5 | -173.9 | 175.9 | -166.5 | 166.6 | 0 | 111.7 | F89 L91 L97 L141 E150 L154 | F89-K93 HydrophobicContact CE1-CD 3.82Å; F89-K93 HydrophobicContact CZ-CB 4.4Å; F89-K93 HydrophobicContact CZ-CD 3.69Å; F89-K93 HydrophobicContact CZ-CG 4.42Å; F89-K93 WeakPolarHBondContact O-CB 3.36Å; F89-K93 PolarHBondContact O-N 3.29Å; L91-K93 VanDerWaalsContact C-N 3.33Å; L91-K93 PolarHBondContact O-N 3.08Å; K93-L97 HydrophobicContact CG-CD1 4.38Å; K93-L97 VanDerWaalsContact O-CG 3.28Å; K93-L97 WeakPolarHBondContact O-CG 2.99Å; K93-L97 PolarHBondContact O-N 2.9Å; K93-L141 HydrophobicContact CB-CD1 4.33Å; K93-E150 IonicContact NZ-OE1 3.18Å; K93-E150 PolarHBondContact NZ-OE1 3.41Å; K93-L154 HydrophobicContact CG-CD1 4.47Å; K93-L154 HydrophobicContact CG-CD2 4.23Å |
| 94 | H | 93.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -77.5 | -34.4 | 179 | -69.6 | 86.4 | 0 | 0 | 0 | 112.5 | W65 L90 L91 Y96 L97 E98 G177 C181 | W65-H94 HydrophobicContact CH2-CB 3.45Å; W65-H94 VanDerWaalsContact CH2-CB 3.45Å; W65-H94 HydrophobicContact CZ2-CB 4.2Å; W65-H94 HydrophobicContact CZ3-CB 3.73Å; L90-H94 PolarHBondContact O-N 3.13Å; L90-H94 PolarHBondContact O-ND1 3.21Å; L91-H94 PolarHBondContact O-N 3.44Å; H94-Y96 VanDerWaalsContact C-N 3.34Å; H94-Y96 PolarHBondContact O-N 3.1Å; H94-L97 PolarHBondContact O-N 3.17Å; H94-E98 WeakPolarHBondContact O-CB 3.21Å; H94-E98 PolarHBondContact O-N 3.12Å; H94-G177 PolarHBondContact CD2-O 3.32Å; H94-C181 HydrophobicContact CB-CB 4.07Å |
| 95 | K | 93.6 | Very high | 85.5 | Confident | 28 Ų | 28 | 32 Ų | 32 | 12% | 0.122 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.5 | -47.9 | 167.3 | -172 | -177.9 | -168.4 | -177.2 | 0 | 111.3 | W65 D66 L91 L92 E98 L99 | W65-K95 HydrophobicContact CB-CB 4.03Å; W65-K95 HydrophobicContact CB-CD 3.72Å; W65-K95 HydrophobicContact CB-CG 3.82Å; W65-K95 HydrophobicContact CD2-CB 3.94Å; W65-K95 HydrophobicContact CD2-CG 4.44Å; W65-K95 HydrophobicContact CE3-CB 4.44Å; W65-K95 HydrophobicContact CG-CB 3.74Å; W65-K95 HydrophobicContact CG-CD 4.22Å; W65-K95 HydrophobicContact CG-CG 3.73Å; D66-K95 IonicContact OD1-NZ 3Å; D66-K95 PolarHBondContact OD1-NZ 2.82Å; D66-K95 IonicContact OD2-NZ 2.73Å; D66-K95 PolarHBondContact OD2-NZ 2.65Å; L91-K95 WeakPolarHBondContact O-CB 3.37Å; L91-K95 PolarHBondContact O-N 3.5Å; L92-K95 HydrophobicContact CD2-CD 4.44Å; L92-K95 PolarHBondContact O-N 3.19Å; K95-E98 PolarHBondContact O-N 3.47Å; K95-L99 HydrophobicContact CG-CD1 4.23Å; K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.33Å; K95-L99 PolarHBondContact O-N 3.49Å |
| 96 | Y | 92.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 177.9 | 175.8 | -111 | 0 | 0 | 0 | 112.7 | L92 H94 E98 L99 L100 V134 L138 L141 L154 L157 L158 | L92-Y96 VanDerWaalsContact O-CB 3.27Å; L92-Y96 WeakPolarHBondContact O-CB 3.34Å; L92-Y96 PolarHBondContact O-N 3.3Å; H94-Y96 VanDerWaalsContact C-N 3.34Å; H94-Y96 PolarHBondContact O-N 3.1Å; Y96-E98 VanDerWaalsContact C-N 3.3Å; Y96-E98 PolarHBondContact O-N 3.18Å; Y96-L99 PolarHBondContact O-N 2.91Å; Y96-L100 HydrophobicContact CD1-CD1 4.11Å; Y96-L100 HydrophobicContact CE1-CD1 3.63Å; Y96-L100 HydrophobicContact CE1-CG 4.43Å; Y96-L100 HydrophobicContact CE2-CD1 4.35Å; Y96-L100 HydrophobicContact CE2-CG 4.34Å; Y96-L100 WeakPolarHBondContact O-CG 3.31Å; Y96-L100 PolarHBondContact O-N 3.38Å; Y96-V134 HydrophobicContact CD2-CG1 4.3Å; Y96-V134 HydrophobicContact CE2-CG1 3.81Å; Y96-L138 HydrophobicContact CD2-CB 4.42Å; Y96-L138 HydrophobicContact CE2-CB 4.11Å; Y96-L138 HydrophobicContact CE2-CD1 4.09Å; Y96-L138 HydrophobicContact CE2-CG 4.48Å; Y96-L141 HydrophobicContact CD1-CD2 4.38Å; Y96-L141 HydrophobicContact CG-CD2 4.47Å; Y96-L154 HydrophobicContact CD1-CD2 4.31Å; Y96-L154 HydrophobicContact CE1-CB 4.17Å; Y96-L154 HydrophobicContact CE1-CD2 4.34Å; Y96-L154 VanDerWaalsContact CE1-O 3.3Å; Y96-L154 WeakPolarHBondContact CE1-O 3.24Å; Y96-L154 PolarHBondContact OH-O 3.11Å; Y96-L157 HydrophobicContact CE1-CD1 4.34Å; Y96-L158 HydrophobicContact CE2-CD2 4.35Å; Y96-L158 WeakPolarHBondContact OH-CG 3.44Å |
| 97 | L | 91.3 | Very high | 81.4 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.3 | -35.9 | 175.6 | -70.7 | 167.5 | 0 | 0 | 0 | 112.5 | K93 H94 C101 L157 L163 Y169 W172 | K93-L97 HydrophobicContact CG-CD1 4.38Å; K93-L97 VanDerWaalsContact O-CG 3.28Å; K93-L97 WeakPolarHBondContact O-CG 2.99Å; K93-L97 PolarHBondContact O-N 2.9Å; H94-L97 PolarHBondContact O-N 3.17Å; L97-C101 WeakPolarHBondContact O-CB 3.48Å; L97-C101 PolarHBondContact O-N 3.36Å; L97-L157 HydrophobicContact CD2-CD1 3.77Å; L97-L163 HydrophobicContact CD2-CD1 3.94Å; L97-L163 HydrophobicContact CD2-CD2 4.19Å; L97-Y169 HydrophobicContact CD1-CD1 4.25Å; L97-Y169 HydrophobicContact CD1-CE1 3.61Å; L97-Y169 HydrophobicContact CD2-CD1 4.01Å; L97-Y169 HydrophobicContact CD2-CD2 4.41Å; L97-Y169 HydrophobicContact CD2-CE1 3.71Å; L97-Y169 HydrophobicContact CD2-CE2 4.17Å; L97-Y169 HydrophobicContact CD2-CG 4.36Å; L97-Y169 HydrophobicContact CG-CE1 4.34Å; L97-W172 HydrophobicContact CB-CH2 3.9Å; L97-W172 HydrophobicContact CB-CZ2 3.69Å; L97-W172 HydrophobicContact CB-CZ3 4.41Å; L97-W172 HydrophobicContact CD1-CZ2 4.49Å |
| 98 | E | 89.7 | Confident | 79 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.6 | -43.9 | 175.6 | -170.4 | 165.1 | 107.8 | 0 | 0 | 112.2 | W65 H94 K95 Y96 L100 C101 L102 W172 P174 R178 | W65-E98 PolarHBondContact NE1-OE1 3.46Å; H94-E98 WeakPolarHBondContact O-CB 3.21Å; H94-E98 PolarHBondContact O-N 3.12Å; K95-E98 PolarHBondContact O-N 3.47Å; Y96-E98 VanDerWaalsContact C-N 3.3Å; Y96-E98 PolarHBondContact O-N 3.18Å; E98-L100 VanDerWaalsContact C-N 3.35Å; E98-L100 PolarHBondContact O-N 2.94Å; E98-C101 PolarHBondContact O-N 2.91Å; E98-L102 HydrophobicContact CG-CD1 4.15Å; E98-L102 VanDerWaalsContact O-CG 3.31Å; E98-L102 WeakPolarHBondContact O-CG 3.26Å; E98-L102 PolarHBondContact O-N 2.92Å; E98-W172 HydrophobicContact CB-CH2 4.03Å; E98-P174 HydrophobicContact CG-CB 4.31Å; E98-P174 HydrophobicContact CG-CG 4.28Å; E98-R178 IonicContact OE1-CZ 2.82Å; E98-R178 IonicContact OE1-NE 3.97Å; E98-R178 IonicContact OE1-NH2 2.65Å; E98-R178 PolarHBondContact OE1-NH2 3.19Å; E98-R178 IonicContact OE2-CZ 3.5Å; E98-R178 IonicContact OE2-NE 3.6Å; E98-R178 PolarHBondContact OE2-NE 2.83Å; E98-R178 IonicContact OE2-NH2 3.45Å; E98-R178 PolarHBondContact OE2-NH2 3.06Å; E98-R178 VanDerWaalsContact OE2-NH2 3.17Å |
| 99 | L | 88 | Confident | 76.4 | Confident | 32 Ų | 32 | 38.2 Ų | 38.2 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 174.9 | -69.3 | 167.9 | 0 | 0 | 0 | 112 | K95 Y96 L102 R103 Q133 V134 C137 | K95-L99 HydrophobicContact CG-CD1 4.23Å; K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.33Å; K95-L99 PolarHBondContact O-N 3.49Å; Y96-L99 PolarHBondContact O-N 2.91Å; L99-L102 PolarHBondContact O-N 3.31Å; L99-R103 WeakPolarHBondContact O-CB 3.4Å; L99-R103 PolarHBondContact O-N 2.94Å; L99-Q133 HydrophobicContact CD2-CB 4.49Å; L99-V134 HydrophobicContact CB-CG2 3.8Å; L99-C137 HydrophobicContact CD1-CB 3.79Å |
| 100 | L | 85.5 | Confident | 73.6 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 170.6 | -73.2 | 175.9 | 0 | 0 | 0 | 111.7 | Y96 E98 L102 R103 D104 V134 L157 L158 | Y96-L100 HydrophobicContact CD1-CD1 4.11Å; Y96-L100 HydrophobicContact CE1-CD1 3.63Å; Y96-L100 HydrophobicContact CE1-CG 4.43Å; Y96-L100 HydrophobicContact CE2-CD1 4.35Å; Y96-L100 HydrophobicContact CE2-CG 4.34Å; Y96-L100 WeakPolarHBondContact O-CG 3.31Å; Y96-L100 PolarHBondContact O-N 3.38Å; E98-L100 VanDerWaalsContact C-N 3.35Å; E98-L100 PolarHBondContact O-N 2.94Å; L100-L102 VanDerWaalsContact C-N 3.28Å; L100-L102 PolarHBondContact O-N 3.4Å; L100-R103 WeakPolarHBondContact O-CB 3.22Å; L100-R103 PolarHBondContact O-N 3.4Å; L100-D104 VanDerWaalsContact O-CG 3.27Å; L100-D104 PolarHBondContact O-N 3.21Å; L100-V134 HydrophobicContact CD2-CG1 4.15Å; L100-L157 HydrophobicContact CD1-CB 3.72Å; L100-L157 HydrophobicContact CD1-CD1 4.15Å; L100-L158 HydrophobicContact CD2-CD2 4.18Å |
| 101 | C | 83.1 | Confident | 70.7 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.8 | -32.7 | -179.8 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | L97 E98 L163 W172 | L97-C101 WeakPolarHBondContact O-CB 3.48Å; L97-C101 PolarHBondContact O-N 3.36Å; E98-C101 PolarHBondContact O-N 2.91Å; C101-L163 HydrophobicContact CB-CD2 4.35Å; C101-W172 HydrophobicContact CB-CE3 4.46Å; C101-W172 HydrophobicContact CB-CZ3 3.82Å |
| 102 | L | 76.6 | Confident | 67.7 | Low | 77 Ų | 77 | 53.5 Ų | 53.5 | 40% | 0.403 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -75.7 | -37.4 | 176.6 | -70.3 | 169.9 | 0 | 0 | 0 | 112.4 | E98 L99 L100 D104 V105 N106 | E98-L102 HydrophobicContact CG-CD1 4.15Å; E98-L102 VanDerWaalsContact O-CG 3.31Å; E98-L102 WeakPolarHBondContact O-CG 3.26Å; E98-L102 PolarHBondContact O-N 2.92Å; L99-L102 PolarHBondContact O-N 3.31Å; L100-L102 VanDerWaalsContact C-N 3.28Å; L100-L102 PolarHBondContact O-N 3.4Å; L102-D104 PolarHBondContact O-N 2.73Å; L102-V105 PolarHBondContact O-N 3Å; L102-V105 VanDerWaalsContact O-N 3.15Å; L102-N106 PolarHBondContact O-N 2.81Å |
| 103 | R | 68.4 | Low | 64.7 | Low | 37 Ų | 37 | 58.9 Ų | 58.9 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.3 | -39.3 | 172.3 | -175.3 | -156.3 | 67.7 | 163.5 | 1.4 | 111.5 | L99 L100 V105 N106 N107 L158 L160 | L99-R103 WeakPolarHBondContact O-CB 3.4Å; L99-R103 PolarHBondContact O-N 2.94Å; L100-R103 WeakPolarHBondContact O-CB 3.22Å; L100-R103 PolarHBondContact O-N 3.4Å; R103-V105 VanDerWaalsContact C-N 3.3Å; R103-V105 PolarHBondContact O-N 2.93Å; R103-N106 PolarHBondContact O-N 3.03Å; R103-N107 PolarHBondContact O-N 3.26Å; R103-N107 PolarHBondContact O-ND2 3.35Å; R103-L158 PolarHBondContact NH1-O 3.34Å; R103-L160 PolarHBondContact NH2-O 3.34Å |
| 104 | D | 57.4 | Low | 61.6 | Low | 18 Ų | 18 | 61.2 Ų | 61.2 | 10% | 0.096 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.2 | -26.3 | -178.7 | -61.1 | -16.1 | 0 | 0 | 0 | 113.2 | L100 L102 R162 L163 | L100-D104 VanDerWaalsContact O-CG 3.27Å; L100-D104 PolarHBondContact O-N 3.21Å; L102-D104 PolarHBondContact O-N 2.73Å; D104-R162 HydrophobicContact CB-CG 4.42Å; D104-R162 WeakPolarHBondContact OD2-CA 3.35Å; D104-L163 PolarHBondContact OD2-N 3.31Å |
| 105 | V | 50.3 | Low | 58.5 | Low | 92 Ų | 92 | 68.6 Ų | 68.6 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -75 | -49.3 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | L102 R103 N107 L108 | L102-V105 PolarHBondContact O-N 3Å; L102-V105 VanDerWaalsContact O-N 3.15Å; R103-V105 VanDerWaalsContact C-N 3.3Å; R103-V105 PolarHBondContact O-N 2.93Å; V105-N107 VanDerWaalsContact C-N 3.28Å; V105-N107 PolarHBondContact O-N 3.19Å; V105-L108 PolarHBondContact O-N 3.35Å; V105-L108 VanDerWaalsContact O-N 3.09Å |
| 106 | N | 47.5 | Very low | 55.3 | Low | 125 Ų | 125 | 71 Ų | 71 | 67% | 0.668 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.5 | -33.5 | -176.6 | -68 | -5.8 | 0 | 0 | 0 | 112.5 | L102 R103 L108 | L102-N106 PolarHBondContact O-N 2.81Å; R103-N106 PolarHBondContact O-N 3.03Å; N106-L108 VanDerWaalsContact C-N 3.27Å; N106-L108 PolarHBondContact O-N 3.46Å |
| 107 | N | 43.8 | Very low | 52.3 | Low | 82 Ų | 82 | 78.7 Ų | 78.7 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.4 | -11.3 | 177.3 | -77.7 | -36.5 | 0 | 0 | 0 | 114.5 | R103 V105 | R103-N107 PolarHBondContact O-N 3.26Å; R103-N107 PolarHBondContact O-ND2 3.35Å; V105-N107 VanDerWaalsContact C-N 3.28Å; V105-N107 PolarHBondContact O-N 3.19Å |
| 108 | L | 39.9 | Very low | 49.3 | Very low | 84 Ų | 84 | 85 Ų | 85 | 44% | 0.44 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -85.7 | -34.8 | -175 | -125.7 | 79.4 | 0 | 0 | 0 | 113.8 | V105 N106 G110 | V105-L108 PolarHBondContact O-N 3.35Å; V105-L108 VanDerWaalsContact O-N 3.09Å; N106-L108 VanDerWaalsContact C-N 3.27Å; N106-L108 PolarHBondContact O-N 3.46Å; L108-G110 VanDerWaalsContact C-N 3.3Å; L108-G110 PolarHBondContact O-N 2.95Å |
| 109 | D | 36.8 | Very low | 46.2 | Very low | 109 Ų | 109 | 88 Ų | 88 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71 | -23.3 | -177.2 | -86.8 | 5.8 | 0 | 0 | 0 | 112.8 | R394 | D109-R394 IonicContact OD2-CZ 3.6Å; D109-R394 IonicContact OD2-NH1 2.72Å; D109-R394 PolarHBondContact OD2-NH1 3.03Å |
| 110 | G | 34.3 | Very low | 43.4 | Very low | 54 Ų | 54 | 89.4 Ų | 89.4 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -69.2 | -34.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L108 N112 | L108-G110 VanDerWaalsContact C-N 3.3Å; L108-G110 PolarHBondContact O-N 2.95Å; G110-N112 VanDerWaalsContact C-N 3.35Å; G110-N112 PolarHBondContact O-N 3.33Å |
| 111 | N | 32.2 | Very low | 40.7 | Very low | 148 Ų | 148 | 95.5 Ų | 95.5 | 79% | 0.791 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -84.1 | 1.4 | -168 | -82.2 | -54.4 | 0 | 0 | 0 | 115.5 | ||
| 112 | N | 31.4 | Very low | 38.5 | Very low | 142 Ų | 142 | 99.2 Ų | 99.2 | 76% | 0.759 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -98 | 4.8 | 173.7 | -74.4 | -61.3 | 0 | 0 | 0 | 113.7 | G110 A114 | G110-N112 VanDerWaalsContact C-N 3.35Å; G110-N112 PolarHBondContact O-N 3.33Å; N112-A114 PolarHBondContact O-N 3.37Å |
| 113 | S | 29.2 | Very low | 36.5 | Very low | 113 Ų | 113 | 99.2 Ų | 99.2 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | trans | -78.7 | 53.5 | -176.4 | -160.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 114 | A | 28.5 | Very low | 35.2 | Very low | 89 Ų | 89 | 105.4 Ų | 105.4 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | trans | -107.9 | -2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N112 | N112-A114 PolarHBondContact O-N 3.37Š| ||
| 115 | N | 28.6 | Very low | 34.5 | Very low | 162 Ų | 162 | 110.1 Ų | 110.1 | 87% | 0.866 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -124 | 96.3 | 174.5 | -81 | -62.6 | 0 | 0 | 0 | 110 | I117 | N115-I117 PolarHBondContact O-N 3.18Š|
| 116 | G | 25.2 | Very low | 34.4 | Very low | 78 Ų | 78 | 110.5 Ų | 110.5 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -76.5 | 116.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 117 | I | 30.4 | Very low | 34.7 | Very low | 161 Ų | 161 | 108 Ų | 108 | 83% | 0.826 | 66% | 0.661 | S | S | * | * | trans | -128.5 | 86.5 | 150.6 | -56 | -177.3 | 0 | 0 | 0 | 108.8 | N115 | N115-I117 PolarHBondContact O-N 3.18Š| ||
| 118 | T | 28 | Very low | 35.3 | Very low | 136 Ų | 136 | 109.1 Ų | 109.1 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | trans | 11.4 | 120.3 | 157.8 | 57.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 119 | G | 24.9 | Very low | 36.3 | Very low | 77 Ų | 77 | 109.9 Ų | 109.9 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | 116.4 | 66.7 | 125 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 120 | A | 28.8 | Very low | 37.9 | Very low | 61 Ų | 61 | 106.1 Ų | 106.1 | 50% | 0.504 | 66% | 0.655 | S | S | . | * | trans | -141.3 | 136.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | V122 | A120-V122 PolarHBondContact O-N 3.03Š| ||
| 121 | N | 28.6 | Very low | 39.8 | Very low | 130 Ų | 130 | 105.8 Ų | 105.8 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | trans | -85.1 | 109.7 | 177 | -68.6 | 3.2 | 0 | 0 | 0 | 109 | ||||
| 122 | V | 37.2 | Very low | 42.1 | Very low | 108 Ų | 108 | 104 Ų | 104 | 66% | 0.655 | 63% | 0.629 | S | S | * | * | trans | -77.6 | 124.7 | 153 | -179.2 | 0 | 0 | 0 | 0 | 106 | A120 | A120-V122 PolarHBondContact O-N 3.03Š| ||
| 123 | N | 35.5 | Very low | 44.5 | Very low | 78 Ų | 78 | 101.4 Ų | 101.4 | 42% | 0.417 | 61% | 0.612 | S | S | . | * | trans | -79.6 | 139.4 | 176.9 | -48.9 | -68.4 | 0 | 0 | 0 | 109.3 | N125 D126 | N123-N125 HydrophobicContact CB-CB 4.12Å; N123-N125 PolarHBondContact O-N 2.94Å; N123-D126 WeakPolarHBondContact CB-OD2 3.27Å; N123-D126 PolarHBondContact ND2-OD2 3.35Å; N123-D126 PolarHBondContact O-N 3.09Å; N123-D126 VanDerWaalsContact O-N 3.12Å | ||
| 124 | E | 39.8 | Very low | 47.2 | Very low | 166 Ų | 166 | 96.2 Ų | 96.2 | 78% | 0.776 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -54.9 | -36.7 | 171.7 | -63.3 | 174.1 | 126.7 | 0 | 0 | 110.8 | D126 V127 D128 | E124-D126 VanDerWaalsContact C-N 3.27Å; E124-D126 PolarHBondContact O-N 3.41Å; E124-D126 VanDerWaalsContact O-N 3.16Å; E124-V127 PolarHBondContact O-N 2.91Å; E124-V127 VanDerWaalsContact O-N 3.11Å; E124-D128 PolarHBondContact O-N 3.03Å |
| 125 | N | 44.5 | Very low | 50 | Low | 117 Ų | 117 | 94.7 Ų | 94.7 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -48.3 | -39.1 | 174.7 | -53.5 | -9 | 0 | 0 | 0 | 114.8 | N123 V127 H129 | N123-N125 HydrophobicContact CB-CB 4.12Å; N123-N125 PolarHBondContact O-N 2.94Å; N125-V127 VanDerWaalsContact C-N 3.31Å; N125-V127 PolarHBondContact O-N 2.95Å; N125-H129 WeakPolarHBondContact O-CB 3.48Å; N125-H129 PolarHBondContact O-N 3.2Å |
| 126 | D | 47.4 | Very low | 52.8 | Low | 101 Ų | 101 | 90.5 Ų | 90.5 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.3 | -23.9 | -173.7 | -68 | -59.5 | 0 | 0 | 0 | 111.8 | N123 E124 | N123-D126 WeakPolarHBondContact CB-OD2 3.27Å; N123-D126 PolarHBondContact ND2-OD2 3.35Å; N123-D126 PolarHBondContact O-N 3.09Å; N123-D126 VanDerWaalsContact O-N 3.12Å; E124-D126 VanDerWaalsContact C-N 3.27Å; E124-D126 PolarHBondContact O-N 3.41Å; E124-D126 VanDerWaalsContact O-N 3.16Å |
| 127 | V | 53.7 | Low | 55.9 | Low | 73 Ų | 73 | 86.9 Ų | 86.9 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -81.7 | -45.4 | 173.6 | -177 | 0 | 0 | 0 | 0 | 110.4 | E124 N125 H129 G130 V131 | E124-V127 PolarHBondContact O-N 2.91Å; E124-V127 VanDerWaalsContact O-N 3.11Å; N125-V127 VanDerWaalsContact C-N 3.31Å; N125-V127 PolarHBondContact O-N 2.95Å; V127-H129 VanDerWaalsContact C-N 3.33Å; V127-H129 PolarHBondContact O-N 3.4Å; V127-G130 PolarHBondContact O-N 3.19Å; V127-V131 PolarHBondContact O-N 2.99Å |
| 128 | D | 55.9 | Low | 58.7 | Low | 105 Ų | 105 | 79.6 Ų | 79.6 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.9 | -44.8 | 177.6 | -80.1 | -24.3 | 0 | 0 | 0 | 111.5 | E124 G130 V131 E132 | E124-D128 PolarHBondContact O-N 3.03Å; D128-G130 VanDerWaalsContact C-N 3.28Å; D128-G130 PolarHBondContact O-N 3.3Å; D128-V131 WeakPolarHBondContact O-CA 3.28Å; D128-V131 WeakPolarHBondContact O-CB 3.21Å; D128-V131 PolarHBondContact O-N 3.21Å; D128-E132 PolarHBondContact O-N 3.47Å |
| 129 | H | 62.2 | Low | 61.6 | Low | 99 Ų | 99 | 78.7 Ų | 78.7 | 46% | 0.458 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.1 | -30.2 | -177.7 | -165.9 | 50.3 | 0 | 0 | 0 | 113.4 | N125 V127 V131 E132 Q133 | N125-H129 WeakPolarHBondContact O-CB 3.48Å; N125-H129 PolarHBondContact O-N 3.2Å; V127-H129 VanDerWaalsContact C-N 3.33Å; V127-H129 PolarHBondContact O-N 3.4Å; H129-V131 VanDerWaalsContact C-N 3.34Å; H129-E132 IonicContact CE1-OE2 2.73Å; H129-E132 IonicContact CG-OE2 3.57Å; H129-E132 IonicContact ND1-OE2 3.93Å; H129-E132 PolarHBondContact ND1-OE2 2.83Å; H129-Q133 PolarHBondContact CD2-NE2 3.21Å; H129-Q133 VanDerWaalsContact CD2-NE2 3.3Å; H129-Q133 PolarHBondContact NE2-NE2 2.93Å; H129-Q133 VanDerWaalsContact NE2-NE2 3.11Å; H129-Q133 WeakPolarHBondContact O-CG 3.33Å; H129-Q133 PolarHBondContact O-N 2.97Å |
| 130 | G | 69.6 | Low | 64.7 | Low | 31 Ų | 31 | 79.1 Ų | 79.1 | 32% | 0.32 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V127 D128 V134 | V127-G130 PolarHBondContact O-N 3.19Å; D128-G130 VanDerWaalsContact C-N 3.28Å; D128-G130 PolarHBondContact O-N 3.3Å; G130-V134 WeakPolarHBondContact O-CG2 3.2Å; G130-V134 PolarHBondContact O-N 3.25Å |
| 131 | V | 74.1 | Confident | 67.6 | Low | 46 Ų | 46 | 76.2 Ų | 76.2 | 28% | 0.279 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -74.4 | -37.9 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | V127 D128 H129 Q133 V134 I135 | V127-V131 PolarHBondContact O-N 2.99Å; D128-V131 WeakPolarHBondContact O-CA 3.28Å; D128-V131 WeakPolarHBondContact O-CB 3.21Å; D128-V131 PolarHBondContact O-N 3.21Å; H129-V131 VanDerWaalsContact C-N 3.34Å; V131-Q133 PolarHBondContact O-N 3.13Å; V131-V134 PolarHBondContact O-N 3.03Å; V131-I135 HydrophobicContact CG1-CD1 3.8Å; V131-I135 HydrophobicContact CG1-CG1 4.44Å; V131-I135 WeakPolarHBondContact O-CG1 3.19Å; V131-I135 PolarHBondContact O-N 3.47Å |
| 132 | E | 79.9 | Confident | 70.5 | Confident | 111 Ų | 111 | 73.3 Ų | 73.3 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.9 | -48.2 | 172.4 | -69.4 | -175.3 | 137.6 | 0 | 0 | 111.7 | D128 H129 V134 I135 D136 | D128-E132 PolarHBondContact O-N 3.47Å; H129-E132 IonicContact CE1-OE2 2.73Å; H129-E132 IonicContact CG-OE2 3.57Å; H129-E132 IonicContact ND1-OE2 3.93Å; H129-E132 PolarHBondContact ND1-OE2 2.83Å; E132-V134 PolarHBondContact O-N 3.32Å; E132-I135 PolarHBondContact O-N 3.42Å; E132-I135 VanDerWaalsContact O-N 3.17Å; E132-D136 PolarHBondContact O-N 2.83Å |
| 133 | Q | 82.2 | Confident | 72.9 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 41% | 0.407 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | -179.6 | -68.9 | 175.7 | 25.4 | 0 | 0 | 112.9 | L99 H129 V131 C137 | L99-Q133 HydrophobicContact CD2-CB 4.49Å; H129-Q133 PolarHBondContact CD2-NE2 3.21Å; H129-Q133 VanDerWaalsContact CD2-NE2 3.3Å; H129-Q133 PolarHBondContact NE2-NE2 2.93Å; H129-Q133 VanDerWaalsContact NE2-NE2 3.11Å; H129-Q133 WeakPolarHBondContact O-CG 3.33Å; H129-Q133 PolarHBondContact O-N 2.97Å; V131-Q133 PolarHBondContact O-N 3.13Å; Q133-C137 VanDerWaalsContact O-CB 3.32Å; Q133-C137 WeakPolarHBondContact O-CB 3.41Å; Q133-C137 PolarHBondContact O-N 3.19Å |
| 134 | V | 86.2 | Confident | 75.3 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 173.6 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | Y96 L99 L100 G130 V131 E132 C137 L138 L158 | Y96-V134 HydrophobicContact CD2-CG1 4.3Å; Y96-V134 HydrophobicContact CE2-CG1 3.81Å; L99-V134 HydrophobicContact CB-CG2 3.8Å; L100-V134 HydrophobicContact CD2-CG1 4.15Å; G130-V134 WeakPolarHBondContact O-CG2 3.2Å; G130-V134 PolarHBondContact O-N 3.25Å; V131-V134 PolarHBondContact O-N 3.03Å; E132-V134 PolarHBondContact O-N 3.32Å; V134-C137 PolarHBondContact O-N 2.85Å; V134-L138 PolarHBondContact O-N 3.2Å; V134-L158 HydrophobicContact CG1-CD2 3.63Å |
| 135 | I | 86.9 | Confident | 77.5 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | -178.6 | -71 | 171.4 | 0 | 0 | 0 | 111.4 | V131 E132 L138 K139 | V131-I135 HydrophobicContact CG1-CD1 3.8Å; V131-I135 HydrophobicContact CG1-CG1 4.44Å; V131-I135 WeakPolarHBondContact O-CG1 3.19Å; V131-I135 PolarHBondContact O-N 3.47Å; E132-I135 PolarHBondContact O-N 3.42Å; E132-I135 VanDerWaalsContact O-N 3.17Å; I135-L138 PolarHBondContact O-N 3.09Å; I135-K139 WeakPolarHBondContact O-CG 3.34Å; I135-K139 PolarHBondContact O-N 2.89Å |
| 136 | D | 88.2 | Confident | 79.3 | Confident | 74 Ų | 74 | 62.9 Ų | 62.9 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.4 | -32.4 | 178 | -79.3 | -6.7 | 0 | 0 | 0 | 112.6 | E132 L138 K139 Q140 | E132-D136 PolarHBondContact O-N 2.83Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-K139 PolarHBondContact O-N 3.18Å; D136-K139 WeakPolarHBondContact OD1-CD 3.35Å; D136-K139 WeakPolarHBondContact OD1-CE 3.3Å; D136-K139 IonicContact OD1-NZ 3.99Å; D136-K139 PolarHBondContact OD1-NZ 2.84Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.05Å; D136-Q140 PolarHBondContact O-NE2 3.34Å |
| 137 | C | 89.5 | Confident | 81.1 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 169 | -167.3 | 0 | 0 | 0 | 0 | 111.7 | L99 Q133 V134 Q140 L141 | L99-C137 HydrophobicContact CD1-CB 3.79Å; Q133-C137 VanDerWaalsContact O-CB 3.32Å; Q133-C137 WeakPolarHBondContact O-CB 3.41Å; Q133-C137 PolarHBondContact O-N 3.19Å; V134-C137 PolarHBondContact O-N 2.85Å; C137-Q140 PolarHBondContact O-N 2.89Å; C137-L141 PolarHBondContact O-N 2.88Å; C137-L141 VanDerWaalsContact O-N 3.13Å |
| 138 | L | 89.5 | Confident | 82.6 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 177.4 | -172.7 | 62.6 | 0 | 0 | 0 | 112.1 | Y96 V134 I135 D136 Q140 L141 E142 Y151 T155 L158 | Y96-L138 HydrophobicContact CD2-CB 4.42Å; Y96-L138 HydrophobicContact CE2-CB 4.11Å; Y96-L138 HydrophobicContact CE2-CD1 4.09Å; Y96-L138 HydrophobicContact CE2-CG 4.48Å; V134-L138 PolarHBondContact O-N 3.2Å; I135-L138 PolarHBondContact O-N 3.09Å; D136-L138 VanDerWaalsContact C-N 3.34Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 3.43Å; L138-L141 HydrophobicContact CD1-CD2 4.09Å; L138-L141 WeakPolarHBondContact O-CB 3.18Å; L138-L141 PolarHBondContact O-N 3.43Å; L138-L141 VanDerWaalsContact O-N 3.12Å; L138-E142 PolarHBondContact O-N 2.88Å; L138-Y151 HydrophobicContact CD1-CD2 4.17Å; L138-Y151 HydrophobicContact CD1-CE2 3.62Å; L138-Y151 HydrophobicContact CG-CE2 3.88Å; L138-T155 HydrophobicContact CD2-CG2 4.33Å; L138-L158 HydrophobicContact CD2-CD1 3.83Å |
| 139 | K | 89.5 | Confident | 83.9 | Confident | 117 Ų | 117 | 60.8 Ų | 60.8 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | 172.2 | -67.9 | 168.7 | -166.8 | 156.6 | 0 | 112.9 | I135 D136 L141 P143 | I135-K139 WeakPolarHBondContact O-CG 3.34Å; I135-K139 PolarHBondContact O-N 2.89Å; D136-K139 PolarHBondContact O-N 3.18Å; D136-K139 WeakPolarHBondContact OD1-CD 3.35Å; D136-K139 WeakPolarHBondContact OD1-CE 3.3Å; D136-K139 IonicContact OD1-NZ 3.99Å; D136-K139 PolarHBondContact OD1-NZ 2.84Å; K139-L141 VanDerWaalsContact C-N 3.31Å; K139-P143 WeakPolarHBondContact O-CD 3.44Å |
| 140 | Q | 89.6 | Confident | 85.1 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.6 | -26.2 | 176.1 | -69.9 | 173.3 | 45.4 | 0 | 0 | 112.6 | L92 D136 C137 L138 P143 | L92-Q140 HydrophobicContact CD1-CB 4.28Å; L92-Q140 HydrophobicContact CD2-CB 4.05Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.05Å; D136-Q140 PolarHBondContact O-NE2 3.34Å; C137-Q140 PolarHBondContact O-N 2.89Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 3.43Å; Q140-P143 WeakPolarHBondContact O-CD 3.49Å |
| 141 | L | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -76 | -34.8 | -179.7 | -162.8 | 65.4 | 0 | 0 | 0 | 112.4 | F89 L92 K93 Y96 C137 L138 K139 E144 C145 L154 | F89-L141 HydrophobicContact CD2-CD1 3.76Å; F89-L141 HydrophobicContact CD2-CG 4.48Å; F89-L141 HydrophobicContact CE2-CD1 3.78Å; F89-L141 HydrophobicContact CE2-CG 4.22Å; L92-L141 HydrophobicContact CB-CD1 3.58Å; K93-L141 HydrophobicContact CB-CD1 4.33Å; Y96-L141 HydrophobicContact CD1-CD2 4.38Å; Y96-L141 HydrophobicContact CG-CD2 4.47Å; C137-L141 PolarHBondContact O-N 2.88Å; C137-L141 VanDerWaalsContact O-N 3.13Å; L138-L141 HydrophobicContact CD1-CD2 4.09Å; L138-L141 WeakPolarHBondContact O-CB 3.18Å; L138-L141 PolarHBondContact O-N 3.43Å; L138-L141 VanDerWaalsContact O-N 3.12Å; K139-L141 VanDerWaalsContact C-N 3.31Å; L141-E144 PolarHBondContact O-N 3.11Å; L141-C145 PolarHBondContact O-N 3.13Å; L141-C145 PolarHBondContact O-SG 3.03Å; L141-L154 HydrophobicContact CD2-CB 4.33Å; L141-L154 HydrophobicContact CD2-CD1 3.89Å |
| 142 | E | 88.6 | Confident | 86.8 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -52 | -178.1 | -173.5 | 162.6 | -175.7 | 0 | 0 | 115.3 | L138 E144 Y151 H535 | L138-E142 PolarHBondContact O-N 2.88Å; E142-E144 VanDerWaalsContact C-N 3.28Å; E142-E144 PolarHBondContact O-N 3.11Å; E142-Y151 HydrophobicContact CB-CD2 4.25Å; E142-Y151 HydrophobicContact CB-CE1 4.03Å; E142-Y151 HydrophobicContact CB-CE2 3.7Å; E142-Y151 HydrophobicContact CG-CD1 4.08Å; E142-Y151 HydrophobicContact CG-CE1 3.59Å; E142-Y151 HydrophobicContact CG-CE2 4.2Å; E142-Y151 PolarHBondContact OE2-OH 3.25Å; E142-H535 IonicContact OE1-NE2 2.58Å |
| 143 | P | 88.6 | Confident | 87.1 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.6 | 179.8 | 30.1 | -37.1 | 0 | 0 | 0 | 114.9 | K139 Q140 | K139-P143 WeakPolarHBondContact O-CD 3.44Å; Q140-P143 WeakPolarHBondContact O-CD 3.49Å |
| 144 | E | 86.2 | Confident | 87.4 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -17.9 | -176.2 | -53.8 | -74.7 | -176 | 0 | 0 | 112.5 | R85 R88 F89 L92 L141 E142 | R85-E144 WeakPolarHBondContact CA-OE2 3.31Å; R85-E144 WeakPolarHBondContact CG-OE2 3.2Å; R88-E144 IonicContact CZ-OE1 2.69Å; R88-E144 IonicContact NE-OE1 2.79Å; R88-E144 PolarHBondContact NE-OE1 2.97Å; R88-E144 IonicContact NE-OE2 3.7Å; R88-E144 IonicContact NH2-OE1 3.17Å; R88-E144 PolarHBondContact NH2-OE1 3.23Å; F89-E144 HydrophobicContact CB-CB 4Å; F89-E144 HydrophobicContact CD2-CB 4.35Å; L92-E144 HydrophobicContact CD1-CG 4Å; L141-E144 PolarHBondContact O-N 3.11Å; E142-E144 VanDerWaalsContact C-N 3.28Å; E142-E144 PolarHBondContact O-N 3.11Å |
| 145 | C | 85.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | trans | -60.9 | 135.5 | 178.4 | -73 | 0 | 0 | 0 | 0 | 112.8 | F89 L141 T147 | F89-C145 HydrophobicContact CE2-CB 4.42Å; F89-C145 VanDerWaalsContact CE2-SG 3.59Å; L141-C145 PolarHBondContact O-N 3.13Å; L141-C145 PolarHBondContact O-SG 3.03Å; C145-T147 VanDerWaalsContact C-N 3.3Å; C145-T147 PolarHBondContact O-N 3.39Å | ||
| 146 | E | 81.3 | Confident | 87.6 | Confident | 111 Ų | 111 | 61.3 Ų | 61.3 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -71.2 | -24.5 | 176.8 | -70.5 | -177.9 | -159.7 | 0 | 0 | 112.8 | K86 | K86-E146 IonicContact NZ-OE1 2.83Å; K86-E146 PolarHBondContact NZ-OE1 2.92Å; K86-E146 IonicContact NZ-OE2 3.13Å |
| 147 | T | 85.8 | Confident | 87.5 | Confident | 76 Ų | 76 | 58 Ų | 58 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | trans | -144.7 | 153.1 | 177.9 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | C145 A149 E150 Y151 | C145-T147 VanDerWaalsContact C-N 3.3Å; C145-T147 PolarHBondContact O-N 3.39Å; T147-A149 PolarHBondContact O-N 3.44Å; T147-A149 PolarHBondContact OG1-N 3.43Å; T147-E150 PolarHBondContact O-N 3.16Å; T147-E150 PolarHBondContact OG1-N 3.1Å; T147-E150 VanDerWaalsContact OG1-N 3.13Å; T147-Y151 PolarHBondContact O-N 2.87Å | ||
| 148 | Q | 84.4 | Confident | 87.2 | Confident | 107 Ų | 107 | 59.5 Ų | 59.5 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.3 | -19.8 | 170.6 | -158.1 | 73.6 | 36.1 | 0 | 0 | 112.9 | R152 | Q148-R152 WeakPolarHBondContact O-CD 3.23Å; Q148-R152 WeakPolarHBondContact O-CG 3.21Å; Q148-R152 PolarHBondContact O-N 3.04Å |
| 149 | A | 84.9 | Confident | 86.8 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.4 | -52.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | T147 Y151 R152 D153 | T147-A149 PolarHBondContact O-N 3.44Å; T147-A149 PolarHBondContact OG1-N 3.43Å; A149-Y151 VanDerWaalsContact C-N 3.29Å; A149-Y151 PolarHBondContact O-N 2.87Å; A149-R152 CarbonylContact O-C 3.59Å; A149-R152 WeakPolarHBondContact O-CA 3.43Å; A149-R152 WeakPolarHBondContact O-CB 3.36Å; A149-R152 PolarHBondContact O-N 3.03Å; A149-D153 VanDerWaalsContact O-CG 3.25Å; A149-D153 PolarHBondContact O-N 3.34Å |
| 150 | E | 86.9 | Confident | 86.3 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 179.6 | -176.1 | 163.4 | -148.2 | 0 | 0 | 112.6 | F89 K93 T147 R152 D153 L154 | F89-E150 WeakPolarHBondContact CE1-OE1 3.32Å; F89-E150 HydrophobicContact CZ-CG 3.9Å; F89-E150 WeakPolarHBondContact CZ-OE1 3.1Å; K93-E150 IonicContact NZ-OE1 3.18Å; K93-E150 PolarHBondContact NZ-OE1 3.41Å; T147-E150 PolarHBondContact O-N 3.16Å; T147-E150 PolarHBondContact OG1-N 3.1Å; T147-E150 VanDerWaalsContact OG1-N 3.13Å; E150-R152 PolarHBondContact O-N 3.37Å; E150-D153 PolarHBondContact O-N 2.83Å; E150-L154 HydrophobicContact CG-CD1 3.8Å; E150-L154 WeakPolarHBondContact O-CB 3.4Å; E150-L154 WeakPolarHBondContact O-CD1 3.31Å; E150-L154 VanDerWaalsContact O-CG 3.28Å; E150-L154 WeakPolarHBondContact O-CG 3.44Å; E150-L154 PolarHBondContact O-N 3.42Å |
| 151 | Y | 90.6 | Very high | 85.4 | Confident | 22 Ų | 22 | 60.6 Ų | 60.6 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 173.1 | -176.8 | -127.8 | 0 | 0 | 0 | 113 | L138 E142 T147 A149 T155 | L138-Y151 HydrophobicContact CD1-CD2 4.17Å; L138-Y151 HydrophobicContact CD1-CE2 3.62Å; L138-Y151 HydrophobicContact CG-CE2 3.88Å; E142-Y151 HydrophobicContact CB-CD2 4.25Å; E142-Y151 HydrophobicContact CB-CE1 4.03Å; E142-Y151 HydrophobicContact CB-CE2 3.7Å; E142-Y151 HydrophobicContact CG-CD1 4.08Å; E142-Y151 HydrophobicContact CG-CE1 3.59Å; E142-Y151 HydrophobicContact CG-CE2 4.2Å; E142-Y151 PolarHBondContact OE2-OH 3.25Å; T147-Y151 PolarHBondContact O-N 2.87Å; A149-Y151 VanDerWaalsContact C-N 3.29Å; A149-Y151 PolarHBondContact O-N 2.87Å; Y151-T155 WeakPolarHBondContact O-CB 3.16Å; Y151-T155 PolarHBondContact O-N 2.83Å; Y151-T155 PolarHBondContact O-OG1 2.85Å |
| 152 | R | 88 | Confident | 84.6 | Confident | 150 Ų | 150 | 64.9 Ų | 64.9 | 57% | 0.566 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 175.1 | -73.8 | 166.3 | -178 | 174.3 | 2.3 | 111.5 | Q148 A149 E150 L154 T155 L156 | Q148-R152 WeakPolarHBondContact O-CD 3.23Å; Q148-R152 WeakPolarHBondContact O-CG 3.21Å; Q148-R152 PolarHBondContact O-N 3.04Å; A149-R152 CarbonylContact O-C 3.59Å; A149-R152 WeakPolarHBondContact O-CA 3.43Å; A149-R152 WeakPolarHBondContact O-CB 3.36Å; A149-R152 PolarHBondContact O-N 3.03Å; E150-R152 PolarHBondContact O-N 3.37Å; R152-L154 VanDerWaalsContact C-N 3.32Å; R152-L154 PolarHBondContact O-N 2.94Å; R152-T155 CarbonylContact O-C 3.48Å; R152-T155 WeakPolarHBondContact O-CB 3.41Å; R152-T155 PolarHBondContact O-N 2.75Å; R152-T155 VanDerWaalsContact O-N 3.16Å; R152-L156 WeakPolarHBondContact O-CG 3.44Å; R152-L156 PolarHBondContact O-N 3.01Å |
| 153 | D | 87 | Confident | 84.3 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | -180 | -60.2 | -26.8 | 0 | 0 | 0 | 110.9 | A149 E150 L156 L157 | A149-D153 VanDerWaalsContact O-CG 3.25Å; A149-D153 PolarHBondContact O-N 3.34Å; E150-D153 PolarHBondContact O-N 2.83Å; D153-L156 PolarHBondContact O-N 3.34Å; D153-L157 PolarHBondContact O-N 2.91Å |
| 154 | L | 89.1 | Confident | 83.8 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 173 | -69.9 | 161.2 | 0 | 0 | 0 | 112.2 | F89 K93 Y96 L141 E150 R152 L156 L157 | F89-L154 HydrophobicContact CE2-CD1 4.17Å; F89-L154 HydrophobicContact CZ-CD1 4.11Å; K93-L154 HydrophobicContact CG-CD1 4.47Å; K93-L154 HydrophobicContact CG-CD2 4.23Å; Y96-L154 HydrophobicContact CD1-CD2 4.31Å; Y96-L154 HydrophobicContact CE1-CB 4.17Å; Y96-L154 HydrophobicContact CE1-CD2 4.34Å; Y96-L154 VanDerWaalsContact CE1-O 3.3Å; Y96-L154 WeakPolarHBondContact CE1-O 3.24Å; Y96-L154 PolarHBondContact OH-O 3.11Å; L141-L154 HydrophobicContact CD2-CB 4.33Å; L141-L154 HydrophobicContact CD2-CD1 3.89Å; E150-L154 HydrophobicContact CG-CD1 3.8Å; E150-L154 WeakPolarHBondContact O-CB 3.4Å; E150-L154 WeakPolarHBondContact O-CD1 3.31Å; E150-L154 VanDerWaalsContact O-CG 3.28Å; E150-L154 WeakPolarHBondContact O-CG 3.44Å; E150-L154 PolarHBondContact O-N 3.42Å; R152-L154 VanDerWaalsContact C-N 3.32Å; R152-L154 PolarHBondContact O-N 2.94Å; L154-L156 VanDerWaalsContact C-N 3.34Å; L154-L157 HydrophobicContact CD2-CD1 4.09Å; L154-L157 WeakPolarHBondContact O-CB 3.42Å; L154-L157 PolarHBondContact O-N 3.42Å |
| 155 | T | 88.7 | Confident | 83.6 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 172.6 | -58 | 0 | 0 | 0 | 0 | 112 | L138 Y151 R152 L157 L158 | L138-T155 HydrophobicContact CD2-CG2 4.33Å; Y151-T155 WeakPolarHBondContact O-CB 3.16Å; Y151-T155 PolarHBondContact O-N 2.83Å; Y151-T155 PolarHBondContact O-OG1 2.85Å; R152-T155 CarbonylContact O-C 3.48Å; R152-T155 WeakPolarHBondContact O-CB 3.41Å; R152-T155 PolarHBondContact O-N 2.75Å; R152-T155 VanDerWaalsContact O-N 3.16Å; T155-L157 PolarHBondContact O-N 2.78Å; T155-L158 HydrophobicContact CG2-CD1 4.36Å; T155-L158 VanDerWaalsContact O-CB 3.32Å; T155-L158 WeakPolarHBondContact O-CB 3.44Å; T155-L158 WeakPolarHBondContact O-CG 3.28Å; T155-L158 PolarHBondContact O-N 3.33Å; T155-L158 VanDerWaalsContact O-N 3.12Å |
| 156 | L | 87 | Confident | 83.5 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.1 | -25.6 | 177.1 | -76.4 | 170.2 | 0 | 0 | 0 | 112.7 | R152 D153 L154 L158 T159 | R152-L156 WeakPolarHBondContact O-CG 3.44Å; R152-L156 PolarHBondContact O-N 3.01Å; D153-L156 PolarHBondContact O-N 3.34Å; L154-L156 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 3.42Å; L156-T159 WeakPolarHBondContact O-CB 3.32Å; L156-T159 PolarHBondContact O-N 3.05Å; L156-T159 PolarHBondContact O-OG1 3.41Å |
| 157 | L | 86.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -61.6 | -23.9 | 174.4 | -58.2 | 179.6 | 0 | 0 | 0 | 113.1 | Y96 L97 L100 D153 L154 T155 T159 L160 L163 H166 Y169 | Y96-L157 HydrophobicContact CE1-CD1 4.34Å; L97-L157 HydrophobicContact CD2-CD1 3.77Å; L100-L157 HydrophobicContact CD1-CB 3.72Å; L100-L157 HydrophobicContact CD1-CD1 4.15Å; D153-L157 PolarHBondContact O-N 2.91Å; L154-L157 HydrophobicContact CD2-CD1 4.09Å; L154-L157 WeakPolarHBondContact O-CB 3.42Å; L154-L157 PolarHBondContact O-N 3.42Å; T155-L157 PolarHBondContact O-N 2.78Å; L157-T159 PolarHBondContact O-N 2.67Å; L157-L160 HydrophobicContact CD2-CD1 3.79Å; L157-L160 PolarHBondContact O-N 3.26Å; L157-L163 HydrophobicContact CD1-CD1 4.38Å; L157-H166 HydrophobicContact CD2-CB 4.42Å; L157-Y169 HydrophobicContact CD1-CD2 4.26Å; L157-Y169 HydrophobicContact CD1-CE2 3.69Å; L157-Y169 HydrophobicContact CD2-CD2 4.12Å; L157-Y169 HydrophobicContact CD2-CE2 3.97Å; L157-Y169 HydrophobicContact CG-CE2 4.47Å |
| 158 | L | 83.9 | Confident | 83.4 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -59.7 | -29.9 | 172.3 | -65 | 176.5 | 0 | 0 | 0 | 112.6 | Y96 L100 R103 V134 L138 T155 L156 L160 | Y96-L158 HydrophobicContact CE2-CD2 4.35Å; Y96-L158 WeakPolarHBondContact OH-CG 3.44Å; L100-L158 HydrophobicContact CD2-CD2 4.18Å; R103-L158 PolarHBondContact NH1-O 3.34Å; V134-L158 HydrophobicContact CG1-CD2 3.63Å; L138-L158 HydrophobicContact CD2-CD1 3.83Å; T155-L158 HydrophobicContact CG2-CD1 4.36Å; T155-L158 VanDerWaalsContact O-CB 3.32Å; T155-L158 WeakPolarHBondContact O-CB 3.44Å; T155-L158 WeakPolarHBondContact O-CG 3.28Å; T155-L158 PolarHBondContact O-N 3.33Å; T155-L158 VanDerWaalsContact O-N 3.12Å; L156-L158 PolarHBondContact O-N 3.42Å; L158-L160 VanDerWaalsContact C-N 3.29Å |
| 159 | T | 81 | Confident | 83.5 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -76.6 | -16.6 | -178.3 | 72.3 | 0 | 0 | 0 | 0 | 113.1 | L156 L157 | L156-T159 WeakPolarHBondContact O-CB 3.32Å; L156-T159 PolarHBondContact O-N 3.05Å; L156-T159 PolarHBondContact O-OG1 3.41Å; L157-T159 PolarHBondContact O-N 2.67Å |
| 160 | L | 77.4 | Confident | 83.3 | Confident | 37 Ų | 37 | 69.4 Ų | 69.4 | 19% | 0.194 | 34% | 0.343 | C | S | . | . | trans | -76 | 138.5 | 176.4 | -59.6 | 178.4 | 0 | 0 | 0 | 110.2 | R103 L157 L158 R162 Q165 H166 | R103-L160 PolarHBondContact NH2-O 3.34Å; L157-L160 HydrophobicContact CD2-CD1 3.79Å; L157-L160 PolarHBondContact O-N 3.26Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L160-R162 VanDerWaalsContact C-N 3.27Å; L160-R162 WeakPolarHBondContact CB-O 3.26Å; L160-Q165 HydrophobicContact CD2-CB 4.31Å; L160-H166 HydrophobicContact CD1-CB 3.82Å | ||
| 161 | T | 72.1 | Confident | 82.9 | Confident | 104 Ų | 104 | 75.8 Ų | 75.8 | 64% | 0.638 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -78.3 | -17.4 | 173.4 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | Q165 | T161-Q165 PolarHBondContact OG1-NE2 3.24Å; T161-Q165 PolarHBondContact OG1-OE1 2.85Å |
| 162 | R | 72 | Confident | 82.7 | Confident | 91 Ų | 91 | 76.1 Ų | 76.1 | 34% | 0.343 | 37% | 0.368 | S | S | . | . | trans | -150.6 | 149.8 | 168 | -71.5 | -173.9 | 175.6 | -175.8 | -3.6 | 112 | D104 L160 D164 Q165 | D104-R162 HydrophobicContact CB-CG 4.42Å; D104-R162 WeakPolarHBondContact OD2-CA 3.35Å; L160-R162 VanDerWaalsContact C-N 3.27Å; L160-R162 WeakPolarHBondContact CB-O 3.26Å; R162-D164 WeakPolarHBondContact CB-OD1 3.4Å; R162-D164 VanDerWaalsContact CD-OD1 3.27Å; R162-D164 WeakPolarHBondContact CD-OD1 3.46Å; R162-D164 VanDerWaalsContact CD-OD2 3.28Å; R162-D164 WeakPolarHBondContact CD-OD2 3.31Å; R162-D164 IonicContact CZ-OD2 2.7Å; R162-D164 IonicContact NH1-OD2 3.05Å; R162-D164 PolarHBondContact NH1-OD2 2.95Å; R162-D164 PolarHBondContact O-N 2.87Å; R162-Q165 HydrophobicContact CB-CG 4.36Å; R162-Q165 WeakPolarHBondContact O-CB 3.43Å; R162-Q165 PolarHBondContact O-N 3.24Å | ||
| 163 | L | 82.6 | Confident | 82.5 | Confident | 11 Ų | 11 | 71.7 Ų | 71.7 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -64.2 | -27.5 | 173 | -169.1 | 61 | 0 | 0 | 0 | 113.2 | L97 C101 D104 L157 Q165 H166 Y169 W172 | L97-L163 HydrophobicContact CD2-CD1 3.94Å; L97-L163 HydrophobicContact CD2-CD2 4.19Å; C101-L163 HydrophobicContact CB-CD2 4.35Å; D104-L163 PolarHBondContact OD2-N 3.31Å; L157-L163 HydrophobicContact CD1-CD1 4.38Å; L163-Q165 PolarHBondContact O-N 3.31Å; L163-Q165 VanDerWaalsContact O-N 3.12Å; L163-H166 PolarHBondContact O-N 2.93Å; L163-Y169 HydrophobicContact CD1-CD2 3.8Å; L163-Y169 HydrophobicContact CD1-CG 3.83Å; L163-Y169 HydrophobicContact CG-CG 4.28Å; L163-W172 HydrophobicContact CD2-CD2 4.29Å; L163-W172 HydrophobicContact CD2-CE3 3.74Å; L163-W172 HydrophobicContact CD2-CZ3 4.27Å |
| 164 | D | 79.3 | Confident | 82.5 | Confident | 69 Ų | 69 | 68.6 Ų | 68.6 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -63.9 | -13.6 | 177.8 | 71.7 | 4 | 0 | 0 | 0 | 114.6 | R162 | R162-D164 WeakPolarHBondContact CB-OD1 3.4Å; R162-D164 VanDerWaalsContact CD-OD1 3.27Å; R162-D164 WeakPolarHBondContact CD-OD1 3.46Å; R162-D164 VanDerWaalsContact CD-OD2 3.28Å; R162-D164 WeakPolarHBondContact CD-OD2 3.31Å; R162-D164 IonicContact CZ-OD2 2.7Å; R162-D164 IonicContact NH1-OD2 3.05Å; R162-D164 PolarHBondContact NH1-OD2 2.95Å; R162-D164 PolarHBondContact O-N 2.87Å |
| 165 | Q | 81.7 | Confident | 82.2 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -80 | -20.9 | 178.4 | -68.8 | 162.3 | 12.1 | 0 | 0 | 112.7 | L160 T161 R162 L163 | L160-Q165 HydrophobicContact CD2-CB 4.31Å; T161-Q165 PolarHBondContact OG1-NE2 3.24Å; T161-Q165 PolarHBondContact OG1-OE1 2.85Å; R162-Q165 HydrophobicContact CB-CG 4.36Å; R162-Q165 WeakPolarHBondContact O-CB 3.43Å; R162-Q165 PolarHBondContact O-N 3.24Å; L163-Q165 PolarHBondContact O-N 3.31Å; L163-Q165 VanDerWaalsContact O-N 3.12Å |
| 166 | H | 84 | Confident | 82 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 25% | 0.25 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -80.9 | 132.6 | 176.2 | -159 | -98.6 | 0 | 0 | 0 | 110.5 | L157 L160 L163 D168 Y169 R170 | L157-H166 HydrophobicContact CD2-CB 4.42Å; L160-H166 HydrophobicContact CD1-CB 3.82Å; L163-H166 PolarHBondContact O-N 2.93Å; H166-D168 VanDerWaalsContact C-N 3.29Å; H166-D168 IonicContact CE1-OD2 3.95Å; H166-D168 PolarHBondContact CE1-OD2 3.35Å; H166-D168 VanDerWaalsContact CE1-OD2 3.24Å; H166-D168 PolarHBondContact ND1-N 2.96Å; H166-D168 IonicContact ND1-OD2 3.95Å; H166-D168 PolarHBondContact O-N 3.33Å; H166-Y169 HydrophobicContact CB-CD2 3.81Å; H166-Y169 AromaticContact CG-CD2 3.7Å; H166-Y169 AromaticContact ND1-CD2 3.37Å; H166-Y169 WeakPolarHBondContact ND1-CD2 3.15Å; H166-Y169 AromaticContact ND1-CE2 3.71Å; H166-Y169 PolarHBondContact O-N 3.5Å; H166-R170 PolarHBondContact O-N 3.5Å |
| 167 | P | 82.3 | Confident | 82.1 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 62% | 0.623 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -57.2 | -42.3 | -178.1 | 22.1 | -33.1 | 0 | 0 | 0 | 112.5 | R170 | P167-R170 WeakPolarHBondContact O-CB 3.44Š|
| 168 | D | 82.2 | Confident | 82.3 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 68% | 0.679 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -76.2 | -23.1 | -175.6 | -51.7 | -31.5 | 0 | 0 | 0 | 113.6 | H166 | H166-D168 VanDerWaalsContact C-N 3.29Å; H166-D168 IonicContact CE1-OD2 3.95Å; H166-D168 PolarHBondContact CE1-OD2 3.35Å; H166-D168 VanDerWaalsContact CE1-OD2 3.24Å; H166-D168 PolarHBondContact ND1-N 2.96Å; H166-D168 IonicContact ND1-OD2 3.95Å; H166-D168 PolarHBondContact O-N 3.33Å |
| 169 | Y | 85.6 | Confident | 82.5 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -105.2 | 4.3 | -179.8 | -56 | -67.4 | 0 | 0 | 0 | 113.3 | L97 L157 L163 H166 Y171 W172 | L97-Y169 HydrophobicContact CD1-CD1 4.25Å; L97-Y169 HydrophobicContact CD1-CE1 3.61Å; L97-Y169 HydrophobicContact CD2-CD1 4.01Å; L97-Y169 HydrophobicContact CD2-CD2 4.41Å; L97-Y169 HydrophobicContact CD2-CE1 3.71Å; L97-Y169 HydrophobicContact CD2-CE2 4.17Å; L97-Y169 HydrophobicContact CD2-CG 4.36Å; L97-Y169 HydrophobicContact CG-CE1 4.34Å; L157-Y169 HydrophobicContact CD1-CD2 4.26Å; L157-Y169 HydrophobicContact CD1-CE2 3.69Å; L157-Y169 HydrophobicContact CD2-CD2 4.12Å; L157-Y169 HydrophobicContact CD2-CE2 3.97Å; L157-Y169 HydrophobicContact CG-CE2 4.47Å; L163-Y169 HydrophobicContact CD1-CD2 3.8Å; L163-Y169 HydrophobicContact CD1-CG 3.83Å; L163-Y169 HydrophobicContact CG-CG 4.28Å; H166-Y169 HydrophobicContact CB-CD2 3.81Å; H166-Y169 AromaticContact CG-CD2 3.7Å; H166-Y169 AromaticContact ND1-CD2 3.37Å; H166-Y169 WeakPolarHBondContact ND1-CD2 3.15Å; H166-Y169 AromaticContact ND1-CE2 3.71Å; H166-Y169 PolarHBondContact O-N 3.5Å; Y169-Y171 PolarHBondContact O-N 2.82Å; Y169-W172 HydrophobicContact CD1-CB 4.27Å; Y169-W172 HydrophobicContact CD1-CG 4.25Å; Y169-W172 VanDerWaalsContact O-CB 3.27Å; Y169-W172 WeakPolarHBondContact O-CB 3.33Å; Y169-W172 PolarHBondContact O-N 3.37Å |
| 170 | R | 81 | Confident | 83 | Confident | 152 Ų | 152 | 64.4 Ų | 64.4 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -30.2 | -179.4 | -176.1 | 179.7 | -176.2 | 79.4 | 4.1 | 115.3 | H166 P167 | H166-R170 PolarHBondContact O-N 3.5Å; P167-R170 WeakPolarHBondContact O-CB 3.44Å |
| 171 | Y | 79.6 | Confident | 83.7 | Confident | 181 Ų | 181 | 62.7 Ų | 62.7 | 71% | 0.71 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 6.3 | 178.9 | -54.5 | -66.8 | 0 | 0 | 0 | 112.8 | Y169 N173 | Y169-Y171 PolarHBondContact O-N 2.82Å; Y171-N173 PolarHBondContact O-ND2 3.36Å |
| 172 | W | 86.1 | Confident | 84.6 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 11% | 0.114 | 27% | 0.273 | C | S | . | . | trans | -71.4 | 140.3 | 178.8 | -166.6 | 96.4 | 0 | 0 | 0 | 110.3 | L97 E98 C101 L163 Y169 P174 | L97-W172 HydrophobicContact CB-CH2 3.9Å; L97-W172 HydrophobicContact CB-CZ2 3.69Å; L97-W172 HydrophobicContact CB-CZ3 4.41Å; L97-W172 HydrophobicContact CD1-CZ2 4.49Å; E98-W172 HydrophobicContact CB-CH2 4.03Å; C101-W172 HydrophobicContact CB-CE3 4.46Å; C101-W172 HydrophobicContact CB-CZ3 3.82Å; L163-W172 HydrophobicContact CD2-CD2 4.29Å; L163-W172 HydrophobicContact CD2-CE3 3.74Å; L163-W172 HydrophobicContact CD2-CZ3 4.27Å; Y169-W172 HydrophobicContact CD1-CB 4.27Å; Y169-W172 HydrophobicContact CD1-CG 4.25Å; Y169-W172 VanDerWaalsContact O-CB 3.27Å; Y169-W172 WeakPolarHBondContact O-CB 3.33Å; Y169-W172 PolarHBondContact O-N 3.37Å; W172-P174 HydrophobicContact CH2-CG 4.48Å; W172-P174 HydrophobicContact CZ3-CG 4.16Å | ||
| 173 | N | 83.7 | Confident | 85.5 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | trans | -151.3 | 157.4 | 173.4 | 63.4 | 83.2 | 0 | 0 | 0 | 108.5 | Y171 S175 L176 G177 | Y171-N173 PolarHBondContact O-ND2 3.36Å; N173-S175 VanDerWaalsContact C-N 3.32Å; N173-S175 PolarHBondContact O-N 3.43Å; N173-S175 PolarHBondContact OD1-N 3.47Å; N173-L176 WeakPolarHBondContact ND2-CB 3.39Å; N173-L176 PolarHBondContact O-N 2.97Å; N173-L176 VanDerWaalsContact O-N 3.16Å; N173-L176 PolarHBondContact OD1-N 3.26Å; N173-G177 PolarHBondContact O-N 3.03Å | ||
| 174 | P | 85.6 | Confident | 85.9 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.1 | -42.9 | -176.4 | -32.4 | 38.4 | 0 | 0 | 0 | 114.7 | E98 W172 G177 R178 | E98-P174 HydrophobicContact CG-CB 4.31Å; E98-P174 HydrophobicContact CG-CG 4.28Å; W172-P174 HydrophobicContact CH2-CG 4.48Å; W172-P174 HydrophobicContact CZ3-CG 4.16Å; P174-G177 PolarHBondContact O-N 3.48Å; P174-R178 WeakPolarHBondContact O-CB 3.46Å; P174-R178 WeakPolarHBondContact O-CD 3.19Å; P174-R178 WeakPolarHBondContact O-CG 3.26Å; P174-R178 PolarHBondContact O-N 3.43Å |
| 175 | S | 83 | Confident | 86.4 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | -179.4 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | N173 L179 | N173-S175 VanDerWaalsContact C-N 3.32Å; N173-S175 PolarHBondContact O-N 3.43Å; N173-S175 PolarHBondContact OD1-N 3.47Å; S175-L179 PolarHBondContact O-N 3.27Å |
| 176 | L | 85.8 | Confident | 86.8 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.8 | -42 | 175.4 | -178.6 | 58.5 | 0 | 0 | 0 | 111.4 | D30 N173 L179 Q180 | D30-L176 HydrophobicContact CB-CD1 3.83Å; D30-L176 HydrophobicContact CB-CD2 4.39Å; N173-L176 WeakPolarHBondContact ND2-CB 3.39Å; N173-L176 PolarHBondContact O-N 2.97Å; N173-L176 VanDerWaalsContact O-N 3.16Å; N173-L176 PolarHBondContact OD1-N 3.26Å; L176-L179 PolarHBondContact O-N 3.22Å; L176-Q180 HydrophobicContact CD1-CG 4.25Å; L176-Q180 HydrophobicContact CG-CG 4.36Å; L176-Q180 WeakPolarHBondContact O-CB 3.19Å; L176-Q180 VanDerWaalsContact O-CG 3.31Å; L176-Q180 WeakPolarHBondContact O-CG 3.49Å; L176-Q180 PolarHBondContact O-N 3.28Å |
| 177 | G | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | H94 N173 P174 L179 Q180 C181 | H94-G177 PolarHBondContact CD2-O 3.32Å; N173-G177 PolarHBondContact O-N 3.03Å; P174-G177 PolarHBondContact O-N 3.48Å; G177-L179 PolarHBondContact O-N 2.76Å; G177-Q180 PolarHBondContact O-N 3.01Å; G177-C181 WeakPolarHBondContact O-CB 3.38Å; G177-C181 PolarHBondContact O-N 3.27Å |
| 178 | R | 91.5 | Very high | 87.1 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 18% | 0.177 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 173.2 | -69.2 | 166.2 | -173.8 | -157.6 | -6.3 | 111.9 | I60 L61 E62 G63 W65 E98 P174 C181 F182 | I60-R178 HydrophobicContact CG2-CB 4.18Å; I60-R178 WeakPolarHBondContact CG2-O 3.33Å; I60-R178 WeakPolarHBondContact O-CB 3.44Å; I60-R178 WeakPolarHBondContact O-CD 3.22Å; I60-R178 WeakPolarHBondContact O-CG 3.47Å; L61-R178 HydrophobicContact CD2-CB 4.29Å; L61-R178 WeakPolarHBondContact O-CD 3.4Å; L61-R178 PolarHBondContact O-NH1 3.45Å; E62-R178 PolarHBondContact O-NH1 3.41Å; E62-R178 PolarHBondContact O-NH2 2.94Å; G63-R178 VanDerWaalsContact CA-CZ 3.47Å; W65-R178 HydrophobicContact CH2-CB 4.48Å; W65-R178 HydrophobicContact CH2-CG 3.74Å; W65-R178 HydrophobicContact CZ2-CG 3.62Å; E98-R178 IonicContact OE1-CZ 2.82Å; E98-R178 IonicContact OE1-NE 3.97Å; E98-R178 IonicContact OE1-NH2 2.65Å; E98-R178 PolarHBondContact OE1-NH2 3.19Å; E98-R178 IonicContact OE2-CZ 3.5Å; E98-R178 IonicContact OE2-NE 3.6Å; E98-R178 PolarHBondContact OE2-NE 2.83Å; E98-R178 IonicContact OE2-NH2 3.45Å; E98-R178 PolarHBondContact OE2-NH2 3.06Å; E98-R178 VanDerWaalsContact OE2-NH2 3.17Å; P174-R178 WeakPolarHBondContact O-CB 3.46Å; P174-R178 WeakPolarHBondContact O-CD 3.19Å; P174-R178 WeakPolarHBondContact O-CG 3.26Å; P174-R178 PolarHBondContact O-N 3.43Å; R178-C181 WeakPolarHBondContact O-CB 3.44Å; R178-C181 PolarHBondContact O-N 2.75Å; R178-F182 PolarHBondContact O-N 3.2Å |
| 179 | L | 88.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 175.9 | -177.9 | 61 | 0 | 0 | 0 | 112.1 | A32 M35 S175 L176 G177 F182 N183 | A32-L179 HydrophobicContact CB-CD2 3.79Å; M35-L179 HydrophobicContact CE-CD1 3.82Å; M35-L179 HydrophobicContact CE-CD2 3.64Å; M35-L179 HydrophobicContact CE-CG 4.39Å; M35-L179 HydrophobicContact SD-CD2 4.38Å; S175-L179 PolarHBondContact O-N 3.27Å; L176-L179 PolarHBondContact O-N 3.22Å; G177-L179 PolarHBondContact O-N 2.76Å; L179-F182 PolarHBondContact O-N 2.73Å; L179-N183 WeakPolarHBondContact O-CB 3.5Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 3.36Å |
| 180 | Q | 89.6 | Confident | 86.8 | Confident | 62 Ų | 62 | 48.6 Ų | 48.6 | 29% | 0.29 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.8 | -74.7 | 174.8 | -9.4 | 0 | 0 | 111.7 | L176 G177 N183 Q184 | L176-Q180 HydrophobicContact CD1-CG 4.25Å; L176-Q180 HydrophobicContact CG-CG 4.36Å; L176-Q180 WeakPolarHBondContact O-CB 3.19Å; L176-Q180 VanDerWaalsContact O-CG 3.31Å; L176-Q180 WeakPolarHBondContact O-CG 3.49Å; L176-Q180 PolarHBondContact O-N 3.28Å; G177-Q180 PolarHBondContact O-N 3.01Å; Q180-N183 PolarHBondContact O-N 3.36Å; Q180-Q184 WeakPolarHBondContact O-CB 3.48Å; Q180-Q184 WeakPolarHBondContact O-CG 3.47Å; Q180-Q184 PolarHBondContact O-N 3.44Å |
| 181 | C | 93.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.3 | -53 | 174.2 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | I60 W65 L90 H94 G177 R178 N183 Q184 I185 | I60-C181 HydrophobicContact CG2-CB 4.14Å; W65-C181 HydrophobicContact CH2-CB 4.47Å; W65-C181 HydrophobicContact CZ3-CB 4.39Å; L90-C181 PolarHBondContact O-SG 2.72Å; L90-C181 VanDerWaalsContact O-SG 3.41Å; H94-C181 HydrophobicContact CB-CB 4.07Å; G177-C181 WeakPolarHBondContact O-CB 3.38Å; G177-C181 PolarHBondContact O-N 3.27Å; R178-C181 WeakPolarHBondContact O-CB 3.44Å; R178-C181 PolarHBondContact O-N 2.75Å; C181-N183 PolarHBondContact O-N 3.23Å; C181-Q184 PolarHBondContact O-N 3.31Å; C181-I185 WeakPolarHBondContact O-CG1 3.42Å; C181-I185 PolarHBondContact O-N 3.28Å; C181-I185 VanDerWaalsContact SG-CD1 3.59Å |
| 182 | F | 91.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.4 | 174.7 | -99.3 | 0 | 0 | 0 | 112.2 | F49 I53 F56 R57 I60 R178 L179 Q184 I185 Y186 | F49-F182 HydrophobicContact CD1-CZ 4.37Å; F49-F182 AromaticContact CE1-CE1 3.97Å; F49-F182 HydrophobicContact CE1-CE1 3.97Å; F49-F182 AromaticContact CE1-CZ 3.91Å; F49-F182 HydrophobicContact CE1-CZ 3.91Å; F49-F182 HydrophobicContact CE2-CE1 4.47Å; F49-F182 AromaticContact CZ-CE1 3.78Å; F49-F182 HydrophobicContact CZ-CE1 3.78Å; F49-F182 HydrophobicContact CZ-CZ 4.11Å; I53-F182 HydrophobicContact CG2-CE2 3.95Å; I53-F182 HydrophobicContact CG2-CZ 3.69Å; F56-F182 HydrophobicContact CD1-CD2 4.38Å; F56-F182 HydrophobicContact CD1-CE2 4.35Å; R57-F182 HydrophobicContact CB-CD2 3.72Å; R57-F182 HydrophobicContact CB-CE1 4.44Å; R57-F182 HydrophobicContact CB-CE2 3.47Å; R57-F182 VanDerWaalsContact CB-CE2 3.47Å; R57-F182 HydrophobicContact CB-CG 4.31Å; R57-F182 HydrophobicContact CB-CZ 3.87Å; R57-F182 HydrophobicContact CG-CD1 3.92Å; R57-F182 HydrophobicContact CG-CD2 3.79Å; R57-F182 HydrophobicContact CG-CE1 3.93Å; R57-F182 HydrophobicContact CG-CE2 3.81Å; R57-F182 HydrophobicContact CG-CG 3.85Å; R57-F182 HydrophobicContact CG-CZ 3.87Å; I60-F182 HydrophobicContact CD1-CB 4.25Å; I60-F182 HydrophobicContact CD1-CD2 4.33Å; I60-F182 HydrophobicContact CG2-CB 4.31Å; R178-F182 PolarHBondContact O-N 3.2Å; L179-F182 PolarHBondContact O-N 2.73Å; F182-Q184 VanDerWaalsContact C-N 3.25Å; F182-Q184 PolarHBondContact O-N 3.37Å; F182-I185 PolarHBondContact O-N 3.04Å; F182-Y186 HydrophobicContact CE1-CG 4.46Å; F182-Y186 AromaticContact CZ-CD2 3.99Å; F182-Y186 HydrophobicContact CZ-CD2 3.99Å; F182-Y186 HydrophobicContact CZ-CG 4.12Å; F182-Y186 WeakPolarHBondContact O-CB 3.25Å; F182-Y186 PolarHBondContact O-N 3.28Å |
| 183 | N | 89.6 | Confident | 85.2 | Confident | 70 Ų | 70 | 41.6 Ų | 41.6 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.5 | -24.1 | 180 | -74.8 | -3.9 | 0 | 0 | 0 | 113.4 | L179 Q180 C181 P187 | L179-N183 WeakPolarHBondContact O-CB 3.5Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 3.36Å; Q180-N183 PolarHBondContact O-N 3.36Å; C181-N183 PolarHBondContact O-N 3.23Å; N183-P187 WeakPolarHBondContact O-CD 3.28Å |
| 184 | Q | 91 | Very high | 84 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 42% | 0.416 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -83.7 | -31.9 | 173.2 | -69.7 | 166.9 | 23 | 0 | 0 | 112.6 | L90 Q180 C181 F182 | L90-Q184 HydrophobicContact CD1-CB 3.87Å; L90-Q184 VanDerWaalsContact CD2-OE1 3.32Å; Q180-Q184 WeakPolarHBondContact O-CB 3.48Å; Q180-Q184 WeakPolarHBondContact O-CG 3.47Å; Q180-Q184 PolarHBondContact O-N 3.44Å; C181-Q184 PolarHBondContact O-N 3.31Å; F182-Q184 VanDerWaalsContact C-N 3.25Å; F182-Q184 PolarHBondContact O-N 3.37Å |
| 185 | I | 91.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -84.3 | -39.9 | -179.6 | -63.6 | 168.2 | 0 | 0 | 0 | 112.3 | F56 I60 P87 L90 L91 C181 F182 L188 L189 | F56-I185 HydrophobicContact CE1-CB 4.49Å; F56-I185 HydrophobicContact CE1-CG2 3.73Å; F56-I185 HydrophobicContact CZ-CG2 3.95Å; I60-I185 HydrophobicContact CD1-CD1 4.23Å; P87-I185 HydrophobicContact CB-CG2 4.3Å; L90-I185 HydrophobicContact CB-CD1 3.95Å; L90-I185 HydrophobicContact CB-CG1 3.81Å; L90-I185 HydrophobicContact CD1-CG1 3.78Å; L90-I185 HydrophobicContact CG-CG1 4.48Å; L91-I185 HydrophobicContact CD2-CD1 3.79Å; L91-I185 HydrophobicContact CG-CD1 3.74Å; C181-I185 WeakPolarHBondContact O-CG1 3.42Å; C181-I185 PolarHBondContact O-N 3.28Å; C181-I185 VanDerWaalsContact SG-CD1 3.59Å; F182-I185 PolarHBondContact O-N 3.04Å; I185-L188 WeakPolarHBondContact O-CA 3.38Å; I185-L188 VanDerWaalsContact O-CB 3.3Å; I185-L188 WeakPolarHBondContact O-CB 3.34Å; I185-L188 PolarHBondContact O-N 3.35Å; I185-L189 HydrophobicContact CG2-CD1 3.77Å; I185-L189 HydrophobicContact CG2-CG 3.94Å; I185-L189 PolarHBondContact O-N 2.91Å |
| 186 | Y | 89 | Confident | 80.4 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -51.9 | -44.7 | -175.9 | 170.9 | -102 | 0 | 0 | 0 | 113.9 | P48 F49 I53 F182 L188 L189 Q190 | P48-Y186 PolarHBondContact O-OH 2.88Å; F49-Y186 HydrophobicContact CD1-CD2 4.24Å; F49-Y186 AromaticContact CD1-CE2 3.67Å; F49-Y186 HydrophobicContact CD1-CE2 3.67Å; F49-Y186 AromaticContact CD1-CZ 3.9Å; F49-Y186 HydrophobicContact CE1-CD1 4.34Å; F49-Y186 HydrophobicContact CE1-CD2 4.06Å; F49-Y186 HydrophobicContact CE1-CE1 4.07Å; F49-Y186 AromaticContact CE1-CE2 3.76Å; F49-Y186 HydrophobicContact CE1-CE2 3.76Å; F49-Y186 HydrophobicContact CE1-CG 4.34Å; F49-Y186 AromaticContact CE1-CZ 3.76Å; I53-Y186 HydrophobicContact CD1-CD2 3.97Å; I53-Y186 HydrophobicContact CD1-CE2 4.27Å; I53-Y186 HydrophobicContact CG1-CD2 4.34Å; I53-Y186 HydrophobicContact CG1-CE2 4.18Å; I53-Y186 HydrophobicContact CG2-CD2 3.83Å; I53-Y186 HydrophobicContact CG2-CE2 3.89Å; F182-Y186 HydrophobicContact CE1-CG 4.46Å; F182-Y186 AromaticContact CZ-CD2 3.99Å; F182-Y186 HydrophobicContact CZ-CD2 3.99Å; F182-Y186 HydrophobicContact CZ-CG 4.12Å; F182-Y186 WeakPolarHBondContact O-CB 3.25Å; F182-Y186 PolarHBondContact O-N 3.28Å; Y186-L188 PolarHBondContact O-N 3.09Å; Y186-L189 PolarHBondContact O-N 3.09Å; Y186-L189 VanDerWaalsContact O-N 3.13Å; Y186-Q190 WeakPolarHBondContact O-CB 3.44Å; Y186-Q190 PolarHBondContact O-N 3.07Å |
| 187 | P | 86.8 | Confident | 78.3 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63 | -22.8 | 176.4 | -23.4 | 35.4 | 0 | 0 | 0 | 114.7 | N183 | N183-P187 WeakPolarHBondContact O-CD 3.28Å |
| 188 | L | 85.7 | Confident | 76 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 28% | 0.277 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -79.4 | -31.7 | 176.6 | -52.4 | 176.6 | 0 | 0 | 0 | 111.7 | K86 P87 L90 I185 Y186 P191 | K86-L188 HydrophobicContact CB-CD1 4.35Å; K86-L188 HydrophobicContact CD-CD1 4.04Å; K86-L188 HydrophobicContact CD-CD2 4.4Å; K86-L188 HydrophobicContact CG-CD1 4.13Å; P87-L188 HydrophobicContact CG-CD1 4.08Å; L90-L188 HydrophobicContact CD1-CD1 4.21Å; I185-L188 WeakPolarHBondContact O-CA 3.38Å; I185-L188 VanDerWaalsContact O-CB 3.3Å; I185-L188 WeakPolarHBondContact O-CB 3.34Å; I185-L188 PolarHBondContact O-N 3.35Å; Y186-L188 PolarHBondContact O-N 3.09Å; L188-P191 WeakPolarHBondContact O-CD 3.45Å |
| 189 | L | 83.7 | Confident | 73 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -88.5 | -26.5 | 179.2 | -55.8 | -178.3 | 0 | 0 | 0 | 113 | F56 L72 L75 L82 I185 Y186 P191 F192 I193 | F56-L189 HydrophobicContact CD1-CD1 3.9Å; F56-L189 HydrophobicContact CE1-CD1 3.53Å; F56-L189 HydrophobicContact CZ-CD1 4.11Å; L72-L189 HydrophobicContact CD2-CD1 4.03Å; L72-L189 HydrophobicContact CD2-CD2 3.99Å; L75-L189 HydrophobicContact CD1-CD2 4.01Å; L82-L189 HydrophobicContact CD1-CD2 3.82Å; I185-L189 HydrophobicContact CG2-CD1 3.77Å; I185-L189 HydrophobicContact CG2-CG 3.94Å; I185-L189 PolarHBondContact O-N 2.91Å; Y186-L189 PolarHBondContact O-N 3.09Å; Y186-L189 VanDerWaalsContact O-N 3.13Å; L189-P191 VanDerWaalsContact C-N 3.32Å; L189-F192 PolarHBondContact O-N 3.25Å; L189-I193 HydrophobicContact CB-CD1 4.08Å; L189-I193 HydrophobicContact CD1-CD1 4.49Å; L189-I193 PolarHBondContact O-N 2.99Å; L189-I193 VanDerWaalsContact O-N 3.08Å |
| 190 | Q | 78 | Confident | 70.2 | Confident | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -35.3 | -178.8 | -172.7 | -176.6 | -4.4 | 0 | 0 | 115.4 | Y186 F192 | Y186-Q190 WeakPolarHBondContact O-CB 3.44Å; Y186-Q190 PolarHBondContact O-N 3.07Å; Q190-F192 PolarHBondContact O-N 3.39Å |
| 191 | P | 74.4 | Confident | 67.4 | Low | 100 Ų | 100 | 79.1 Ų | 79.1 | 65% | 0.649 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.2 | 177 | -21 | 34.1 | 0 | 0 | 0 | 114.2 | L188 L189 | L188-P191 WeakPolarHBondContact O-CD 3.45Å; L189-P191 VanDerWaalsContact C-N 3.32Å |
| 192 | F | 71.2 | Confident | 64.3 | Low | 88 Ų | 88 | 83 Ų | 83 | 39% | 0.386 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -34.7 | -169.3 | -57.3 | -86.2 | 0 | 0 | 0 | 112.7 | V80 L82 L189 Q190 Q194 | V80-F192 HydrophobicContact CG1-CB 4.15Å; V80-F192 HydrophobicContact CG1-CD1 3.56Å; V80-F192 HydrophobicContact CG1-CE1 4.21Å; V80-F192 HydrophobicContact CG1-CG 4.04Å; V80-F192 HydrophobicContact CG2-CD1 4.47Å; L82-F192 HydrophobicContact CD1-CB 4.38Å; L82-F192 HydrophobicContact CD1-CD2 3.34Å; L82-F192 HydrophobicContact CD1-CE2 3.61Å; L82-F192 HydrophobicContact CD1-CG 3.84Å; L82-F192 HydrophobicContact CD1-CZ 4.29Å; L82-F192 HydrophobicContact CG-CD2 4.04Å; L82-F192 HydrophobicContact CG-CE2 3.76Å; L82-F192 HydrophobicContact CG-CZ 4.1Å; L189-F192 PolarHBondContact O-N 3.25Å; Q190-F192 PolarHBondContact O-N 3.39Å; F192-Q194 PolarHBondContact O-N 2.87Å |
| 193 | I | 66.7 | Low | 61.4 | Low | 27 Ų | 27 | 91.9 Ų | 91.9 | 14% | 0.138 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -85.2 | 112.6 | 178.3 | -63.1 | 175.5 | 0 | 0 | 0 | 109.3 | N50 I53 L189 L195 | N50-I193 WeakPolarHBondContact ND2-CG2 3.39Å; I53-I193 HydrophobicContact CD1-CD1 3.55Å; I53-I193 HydrophobicContact CG1-CD1 4.17Å; I53-I193 HydrophobicContact CG1-CG2 4.07Å; L189-I193 HydrophobicContact CB-CD1 4.08Å; L189-I193 HydrophobicContact CD1-CD1 4.49Å; L189-I193 PolarHBondContact O-N 2.99Å; L189-I193 VanDerWaalsContact O-N 3.08Å; I193-L195 PolarHBondContact O-N 2.85Å |
| 194 | Q | 58.2 | Low | 58.3 | Low | 174 Ų | 174 | 93.4 Ų | 93.4 | 81% | 0.813 | 54% | 0.536 | S | S | * | . | trans | -68.1 | 105.3 | -172.4 | -66.1 | -173.1 | 8.6 | 0 | 0 | 112 | F192 S196 | F192-Q194 PolarHBondContact O-N 2.87Å; Q194-S196 PolarHBondContact O-N 3Å; Q194-S196 VanDerWaalsContact O-N 3.11Å | ||
| 195 | L | 50.8 | Low | 55.5 | Low | 76 Ų | 76 | 94.3 Ų | 94.3 | 40% | 0.398 | 55% | 0.553 | S | S | . | * | trans | -53.9 | 115.9 | 166.3 | -70.3 | 169 | 0 | 0 | 0 | 110 | P48 I193 K197 | P48-L195 HydrophobicContact CB-CD2 4.45Å; P48-L195 WeakPolarHBondContact O-CD2 3.31Å; I193-L195 PolarHBondContact O-N 2.85Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 3.18Å | ||
| 196 | S | 44.1 | Very low | 53 | Low | 86 Ų | 86 | 99.9 Ų | 99.9 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | trans | -71.2 | 73.4 | -173.2 | 43.7 | 0 | 0 | 0 | 0 | 112.7 | Q194 H198 | Q194-S196 PolarHBondContact O-N 3Å; Q194-S196 VanDerWaalsContact O-N 3.11Å; S196-H198 PolarHBondContact O-N 3.48Å | ||
| 197 | K | 40.9 | Very low | 51.2 | Low | 184 Ų | 184 | 104.4 Ų | 104.4 | 80% | 0.8 | 61% | 0.613 | S | S | * | * | trans | -60.7 | 99 | 171.8 | -77 | -174.1 | 174.9 | 178.8 | 0 | 110.7 | L195 S199 | L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 3.18Å; K197-S199 PolarHBondContact O-N 2.82Å; K197-S199 PolarHBondContact O-OG 3.24Å | ||
| 198 | H | 39.4 | Very low | 50.1 | Low | 185 Ų | 185 | 107.2 Ų | 107.2 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | trans | -55.7 | 106 | 173.4 | -83.1 | -70.4 | 0 | 0 | 0 | 110.6 | S196 S200 | S196-H198 PolarHBondContact O-N 3.48Å; H198-S200 PolarHBondContact O-N 2.86Å | ||
| 199 | S | 28.3 | Very low | 49.5 | Very low | 118 Ų | 118 | 106.4 Ų | 106.4 | 83% | 0.825 | 62% | 0.616 | S | S | * | * | trans | -105.1 | 64 | -171.2 | 27.7 | 0 | 0 | 0 | 0 | 111 | K197 | K197-S199 PolarHBondContact O-N 2.82Å; K197-S199 PolarHBondContact O-OG 3.24Å | ||
| 200 | S | 30.7 | Very low | 49.2 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 70% | 0.699 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -162.1 | 145.2 | 163.4 | 50 | 0 | 0 | 0 | 0 | 113 | H198 | H198-S200 PolarHBondContact O-N 2.86Š|
| 201 | S | 31.2 | Very low | 49.2 | Very low | 129 Ų | 129 | 109.8 Ų | 109.8 | 90% | 0.902 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 64.9 | 133.8 | -172.5 | 76.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 202 | G | 27.6 | Very low | 49.3 | Very low | 81 Ų | 81 | 106.2 Ų | 106.2 | 84% | 0.835 | 61% | 0.607 | S | S | * | * | trans | -110.8 | 95.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 203 | Q | 30.1 | Very low | 49.6 | Very low | 187 Ų | 187 | 103.1 Ų | 103.1 | 87% | 0.874 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -135.2 | 148.1 | 150.1 | -79.6 | -177.9 | -11.6 | 0 | 0 | 107.6 | S205 | Q203-S205 PolarHBondContact O-N 3.45Š|
| 204 | A | 25.2 | Very low | 50.3 | Low | 101 Ų | 101 | 108 Ų | 108 | 84% | 0.835 | 61% | 0.612 | S | S | * | * | trans | -77.2 | 91 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T206 | A204-T206 PolarHBondContact O-N 3.07Š| ||
| 205 | S | 31.5 | Very low | 51.6 | Low | 108 Ų | 108 | 101.5 Ų | 101.5 | 76% | 0.755 | 58% | 0.582 | S | S | * | * | trans | -64.7 | 98.1 | 167.7 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | Q203 | Q203-S205 PolarHBondContact O-N 3.45Š| ||
| 206 | T | 40 | Very low | 53 | Low | 117 Ų | 117 | 101.3 Ų | 101.3 | 72% | 0.718 | 58% | 0.581 | S | S | * | * | trans | -60.2 | 145.2 | 173.7 | 49 | 0 | 0 | 0 | 0 | 111.2 | A204 E208 | A204-T206 PolarHBondContact O-N 3.07Å; T206-E208 PolarHBondContact O-N 2.67Å | ||
| 207 | D | 50.7 | Low | 54.8 | Low | 123 Ų | 123 | 104 Ų | 104 | 66% | 0.658 | 58% | 0.578 | S | S | * | * | trans | -34.4 | 107.6 | 176.6 | -89.4 | 8.4 | 0 | 0 | 0 | 112.1 | N209 R211 | D207-N209 PolarHBondContact O-N 3.27Å; D207-R211 IonicContact OD2-NH1 2.68Å; D207-R211 PolarHBondContact OD2-NH1 3.37Å; D207-R211 VanDerWaalsContact OD2-NH1 3.13Å | ||
| 208 | E | 64.1 | Low | 56.8 | Low | 127 Ų | 127 | 99.1 Ų | 99.1 | 59% | 0.593 | 56% | 0.561 | S | S | * | * | trans | -81.5 | 16.8 | -168.7 | -126.8 | -166.6 | -110 | 0 | 0 | 113.3 | K20 T206 | K20-E208 VanDerWaalsContact CD-O 3.28Å; K20-E208 WeakPolarHBondContact CD-O 3.29Å; K20-E208 WeakPolarHBondContact CE-O 3.18Å; K20-E208 PolarHBondContact NZ-O 3.1Å; K20-E208 IonicContact NZ-OE2 2.88Å; K20-E208 PolarHBondContact NZ-OE2 3.49Å; T206-E208 PolarHBondContact O-N 2.67Å | ||
| 209 | N | 72.5 | Confident | 58.7 | Low | 36 Ų | 36 | 94.8 Ų | 94.8 | 19% | 0.193 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -114.2 | 136.9 | -170.8 | -62.9 | 56.9 | 0 | 0 | 0 | 110.5 | G47 P48 D207 | G47-N209 VanDerWaalsContact C-ND2 3.29Å; G47-N209 VanDerWaalsContact CA-ND2 3.32Å; G47-N209 WeakPolarHBondContact CA-ND2 3.37Å; P48-N209 WeakPolarHBondContact CD-ND2 3.4Å; D207-N209 PolarHBondContact O-N 3.27Å |
| 210 | A | 77.6 | Confident | 61 | Low | 6 Ų | 6 | 91.5 Ų | 91.5 | 5% | 0.05 | 52% | 0.518 | C | S | . | . | trans | -73.9 | 133.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K20 L21 E24 N46 | K20-A210 HydrophobicContact CB-CB 4.42Å; K20-A210 WeakPolarHBondContact O-CB 3.37Å; L21-A210 HydrophobicContact CD2-CB 3.97Å; L21-A210 HydrophobicContact CG-CB 4.37Å; E24-A210 HydrophobicContact CB-CB 3.66Å; E24-A210 HydrophobicContact CG-CB 4.05Å; E24-A210 WeakPolarHBondContact CG-O 3.46Å; N46-A210 PolarHBondContact ND2-O 2.7Å; N46-A210 PolarHBondContact OD1-N 3.46Å | ||
| 211 | R | 77.7 | Confident | 63.2 | Low | 153 Ų | 153 | 91.2 Ų | 91.2 | 58% | 0.577 | 50% | 0.504 | S | S | * | . | trans | -152 | 138 | -178.2 | -70.5 | -176.9 | 172.2 | 150.2 | -4.6 | 112 | E24 D207 | E24-R211 VanDerWaalsContact CD-CA 3.45Å; E24-R211 WeakPolarHBondContact OE1-CA 3.37Å; E24-R211 PolarHBondContact OE2-N 3.24Å; D207-R211 IonicContact OD2-NH1 2.68Å; D207-R211 PolarHBondContact OD2-NH1 3.37Å; D207-R211 VanDerWaalsContact OD2-NH1 3.13Å | ||
| 212 | G | 76 | Confident | 65.5 | Low | 24 Ų | 24 | 86.7 Ų | 86.7 | 25% | 0.247 | 48% | 0.478 | C | S | . | . | S | Bend | trans | 105.4 | 12.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | E24 R217 | E24-G212 PolarHBondContact OE1-N 3.5Å; G212-R217 PolarHBondContact O-NE 2.94Å; G212-R217 PolarHBondContact O-NH2 3.16Å; G212-R217 VanDerWaalsContact O-NH2 3.16Å |
| 213 | D | 79.1 | Confident | 67.7 | Low | 23 Ų | 23 | 85 Ų | 85 | 12% | 0.123 | 45% | 0.45 | C | S | . | . | S | Bend | trans | 58.8 | 52.2 | -160 | -156.1 | -6.6 | 0 | 0 | 0 | 110 | E24 K28 R29 L215 L216 R217 | E24-D213 PolarHBondContact OE1-N 2.92Å; K28-D213 HydrophobicContact CD-CB 3.87Å; R29-D213 IonicContact CZ-OD2 2.77Å; R29-D213 IonicContact NH1-OD1 3.58Å; R29-D213 PolarHBondContact NH1-OD1 3.16Å; R29-D213 IonicContact NH1-OD2 3.28Å; R29-D213 PolarHBondContact NH1-OD2 3.13Å; R29-D213 IonicContact NH2-OD1 3.15Å; R29-D213 IonicContact NH2-OD2 3.63Å; R29-D213 PolarHBondContact NH2-OD2 2.84Å; D213-L215 VanDerWaalsContact C-N 3.26Å; D213-L215 PolarHBondContact O-N 3.46Å; D213-L216 HydrophobicContact CB-CB 4.41Å; D213-L216 PolarHBondContact O-N 3.35Å; D213-L216 WeakPolarHBondContact OD1-CB 3.47Å; D213-R217 WeakPolarHBondContact O-CG 3.22Å; D213-R217 PolarHBondContact O-N 3.02Å |
| 214 | R | 81.6 | Confident | 69.7 | Low | 130 Ų | 130 | 77.3 Ų | 77.3 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.2 | -30.1 | -169.6 | -176 | 174 | 170.9 | -172.6 | -3.8 | 111.3 | L21 E24 L218 | L21-R214 HydrophobicContact CD2-CB 3.6Å; L21-R214 HydrophobicContact CD2-CG 3.57Å; E24-R214 WeakPolarHBondContact OE2-CB 3.4Å; E24-R214 PolarHBondContact OE2-N 2.8Å; R214-L218 HydrophobicContact CG-CD1 4.05Å; R214-L218 HydrophobicContact CG-CG 4.41Å; R214-L218 WeakPolarHBondContact O-CB 3.5Å; R214-L218 WeakPolarHBondContact O-CG 3.39Å; R214-L218 PolarHBondContact O-N 3.43Å |
| 215 | L | 84 | Confident | 72.2 | Confident | 37 Ų | 37 | 80.2 Ų | 80.2 | 19% | 0.194 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.5 | -51.4 | 172.5 | -176.1 | 58.2 | 0 | 0 | 0 | 111.6 | L21 I22 F25 D213 R217 L218 L219 | L21-L215 HydrophobicContact CB-CB 4.36Å; I22-L215 HydrophobicContact CG1-CD2 4.06Å; F25-L215 HydrophobicContact CB-CB 4.18Å; F25-L215 HydrophobicContact CB-CD2 3.77Å; F25-L215 HydrophobicContact CD2-CB 4.47Å; F25-L215 HydrophobicContact CD2-CD2 4.1Å; F25-L215 HydrophobicContact CD2-CG 4.49Å; F25-L215 HydrophobicContact CG-CD2 3.92Å; D213-L215 VanDerWaalsContact C-N 3.26Å; D213-L215 PolarHBondContact O-N 3.46Å; L215-R217 VanDerWaalsContact C-N 3.33Å; L215-R217 PolarHBondContact O-N 3.48Å; L215-L218 PolarHBondContact O-N 3.17Å; L215-L219 HydrophobicContact CD1-CD1 4.32Å; L215-L219 HydrophobicContact CD1-CG 4.39Å; L215-L219 HydrophobicContact CG-CD1 4.1Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 2.87Å |
| 216 | L | 81.5 | Confident | 74.3 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 177.9 | -176.4 | 65.2 | 0 | 0 | 0 | 111.7 | D213 L218 L219 V220 | D213-L216 HydrophobicContact CB-CB 4.41Å; D213-L216 PolarHBondContact O-N 3.35Å; D213-L216 WeakPolarHBondContact OD1-CB 3.47Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-L219 PolarHBondContact O-N 3.48Å; L216-V220 HydrophobicContact CD1-CG2 4.35Å; L216-V220 HydrophobicContact CG-CG2 4.46Å; L216-V220 WeakPolarHBondContact O-CG2 3.28Å; L216-V220 PolarHBondContact O-N 3.04Å |
| 217 | R | 80.7 | Confident | 75.8 | Confident | 141 Ų | 141 | 75 Ų | 75 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 175.6 | -70.5 | 174.9 | 179 | 176.3 | 3.1 | 113 | G212 D213 L215 K221 | G212-R217 PolarHBondContact O-NE 2.94Å; G212-R217 PolarHBondContact O-NH2 3.16Å; G212-R217 VanDerWaalsContact O-NH2 3.16Å; D213-R217 WeakPolarHBondContact O-CG 3.22Å; D213-R217 PolarHBondContact O-N 3.02Å; L215-R217 VanDerWaalsContact C-N 3.33Å; L215-R217 PolarHBondContact O-N 3.48Å; R217-K221 WeakPolarHBondContact O-CB 3.18Å; R217-K221 WeakPolarHBondContact O-CG 3.38Å; R217-K221 PolarHBondContact O-N 2.98Å; R217-K221 VanDerWaalsContact O-N 3.11Å |
| 218 | L | 83.1 | Confident | 77.1 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 176.7 | -74.2 | 168.9 | 0 | 0 | 0 | 111.6 | L21 R214 L215 L216 K221 G222 | L21-L218 HydrophobicContact CD1-CD1 4.02Å; L21-L218 HydrophobicContact CD2-CD1 4.3Å; R214-L218 HydrophobicContact CG-CD1 4.05Å; R214-L218 HydrophobicContact CG-CG 4.41Å; R214-L218 WeakPolarHBondContact O-CB 3.5Å; R214-L218 WeakPolarHBondContact O-CG 3.39Å; R214-L218 PolarHBondContact O-N 3.43Å; L215-L218 PolarHBondContact O-N 3.17Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 3.45Å; L218-K221 PolarHBondContact O-N 3.46Å; L218-G222 PolarHBondContact O-N 3.4Å |
| 219 | L | 80.4 | Confident | 77.7 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 175.1 | -71 | 168.9 | 0 | 0 | 0 | 111.7 | L215 L216 K221 G222 L223 | L215-L219 HydrophobicContact CD1-CD1 4.32Å; L215-L219 HydrophobicContact CD1-CG 4.39Å; L215-L219 HydrophobicContact CG-CD1 4.1Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 2.87Å; L216-L219 PolarHBondContact O-N 3.48Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.2Å; L219-G222 PolarHBondContact O-N 3.5Å; L219-G222 VanDerWaalsContact O-N 3.15Å; L219-L223 WeakPolarHBondContact O-CG 3.2Å; L219-L223 PolarHBondContact O-N 2.72Å |
| 220 | V | 76.1 | Confident | 77.9 | Confident | 49 Ų | 49 | 70 Ų | 70 | 30% | 0.297 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L216 L224 | L216-V220 HydrophobicContact CD1-CG2 4.35Å; L216-V220 HydrophobicContact CG-CG2 4.46Å; L216-V220 WeakPolarHBondContact O-CG2 3.28Å; L216-V220 PolarHBondContact O-N 3.04Å; V220-L224 HydrophobicContact CG1-CD1 3.89Å; V220-L224 HydrophobicContact CG1-CG 4.43Å; V220-L224 WeakPolarHBondContact O-CB 3.47Å; V220-L224 VanDerWaalsContact O-CG 3.25Å; V220-L224 WeakPolarHBondContact O-CG 3.33Å; V220-L224 PolarHBondContact O-N 2.82Å |
| 221 | K | 76.2 | Confident | 77.9 | Confident | 95 Ų | 95 | 70.7 Ų | 70.7 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 175.2 | -79.4 | 175.9 | 179.7 | -76.5 | 0 | 113.3 | R217 L218 L219 Y225 D296 | R217-K221 WeakPolarHBondContact O-CB 3.18Å; R217-K221 WeakPolarHBondContact O-CG 3.38Å; R217-K221 PolarHBondContact O-N 2.98Å; R217-K221 VanDerWaalsContact O-N 3.11Å; L218-K221 PolarHBondContact O-N 3.46Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.2Å; K221-Y225 VanDerWaalsContact O-CB 3.31Å; K221-Y225 WeakPolarHBondContact O-CB 3.17Å; K221-Y225 PolarHBondContact O-N 3.04Å; K221-D296 WeakPolarHBondContact CE-OD2 3.47Å; K221-D296 VanDerWaalsContact CG-OD2 3.28Å; K221-D296 WeakPolarHBondContact CG-OD2 3.31Å; K221-D296 IonicContact NZ-OD1 2.71Å; K221-D296 PolarHBondContact NZ-OD1 3.03Å; K221-D296 IonicContact NZ-OD2 3.92Å; K221-D296 PolarHBondContact NZ-OD2 3.25Å |
| 222 | G | 80.2 | Confident | 77.9 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -53.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L218 L219 L224 Y225 E226 | L218-G222 PolarHBondContact O-N 3.4Å; L219-G222 PolarHBondContact O-N 3.5Å; L219-G222 VanDerWaalsContact O-N 3.15Å; G222-L224 VanDerWaalsContact C-N 3.34Å; G222-L224 PolarHBondContact O-N 3.16Å; G222-Y225 WeakPolarHBondContact O-CA 3.21Å; G222-Y225 WeakPolarHBondContact O-CB 3.37Å; G222-Y225 PolarHBondContact O-N 3.39Å; G222-E226 PolarHBondContact O-N 3.04Å |
| 223 | L | 73.9 | Confident | 78 | Confident | 46 Ų | 46 | 65.4 Ų | 65.4 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 177.8 | -67.6 | 169.7 | 0 | 0 | 0 | 112.2 | L219 Y225 E226 A227 M248 L249 | L219-L223 WeakPolarHBondContact O-CG 3.2Å; L219-L223 PolarHBondContact O-N 2.72Å; L223-Y225 VanDerWaalsContact C-N 3.32Å; L223-Y225 PolarHBondContact O-N 2.92Å; L223-E226 PolarHBondContact O-N 2.95Å; L223-A227 WeakPolarHBondContact O-CB 3.28Å; L223-A227 PolarHBondContact O-N 3.07Å; L223-M248 HydrophobicContact CD2-CB 4.44Å; L223-M248 HydrophobicContact CD2-CE 3.64Å; L223-M248 HydrophobicContact CD2-SD 4.13Å; L223-L249 HydrophobicContact CD1-CD1 4.46Å; L223-L249 HydrophobicContact CD1-CD2 3.96Å; L223-L249 HydrophobicContact CD1-CG 4.12Å |
| 224 | L | 72.5 | Confident | 77.9 | Confident | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -37 | 174.5 | -73.8 | 171.6 | 0 | 0 | 0 | 112.2 | V220 G222 C228 I245 D296 | V220-L224 HydrophobicContact CG1-CD1 3.89Å; V220-L224 HydrophobicContact CG1-CG 4.43Å; V220-L224 WeakPolarHBondContact O-CB 3.47Å; V220-L224 VanDerWaalsContact O-CG 3.25Å; V220-L224 WeakPolarHBondContact O-CG 3.33Å; V220-L224 PolarHBondContact O-N 2.82Å; G222-L224 VanDerWaalsContact C-N 3.34Å; G222-L224 PolarHBondContact O-N 3.16Å; L224-C228 WeakPolarHBondContact O-CB 3.4Å; L224-C228 PolarHBondContact O-N 3.38Å; L224-C228 PolarHBondContact O-SG 3.23Å; L224-I245 HydrophobicContact CD2-CD1 3.68Å; L224-I245 HydrophobicContact CD2-CG1 4.05Å; L224-I245 HydrophobicContact CD2-CG2 3.98Å; L224-D296 HydrophobicContact CD1-CB 3.82Å |
| 225 | Y | 75.9 | Confident | 77.8 | Confident | 162 Ų | 162 | 62.6 Ų | 62.6 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69.5 | -43.1 | 177.3 | -170.2 | -93.3 | 0 | 0 | 0 | 111.8 | K221 G222 L223 C228 V229 | K221-Y225 VanDerWaalsContact O-CB 3.31Å; K221-Y225 WeakPolarHBondContact O-CB 3.17Å; K221-Y225 PolarHBondContact O-N 3.04Å; G222-Y225 WeakPolarHBondContact O-CA 3.21Å; G222-Y225 WeakPolarHBondContact O-CB 3.37Å; G222-Y225 PolarHBondContact O-N 3.39Å; L223-Y225 VanDerWaalsContact C-N 3.32Å; L223-Y225 PolarHBondContact O-N 2.92Å; Y225-C228 WeakPolarHBondContact O-CB 3.35Å; Y225-C228 PolarHBondContact O-N 2.89Å; Y225-V229 HydrophobicContact CD1-CG2 4.01Å; Y225-V229 HydrophobicContact CE1-CG2 3.7Å; Y225-V229 WeakPolarHBondContact O-CG2 3.39Å; Y225-V229 PolarHBondContact O-N 3.12Å |
| 226 | E | 75.7 | Confident | 77.4 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 173.3 | -70.5 | -174.3 | 153.6 | 0 | 0 | 111.1 | G222 L223 C228 V229 D230 | G222-E226 PolarHBondContact O-N 3.04Å; L223-E226 PolarHBondContact O-N 2.95Å; E226-C228 PolarHBondContact O-N 3.39Å; E226-V229 PolarHBondContact O-N 2.69Å; E226-D230 PolarHBondContact O-N 3.1Å |
| 227 | A | 73.1 | Confident | 77.1 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -31.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L223 Y231 M243 I245 | L223-A227 WeakPolarHBondContact O-CB 3.28Å; L223-A227 PolarHBondContact O-N 3.07Å; A227-Y231 VanDerWaalsContact O-CB 3.22Å; A227-Y231 WeakPolarHBondContact O-CB 3.4Å; A227-Y231 PolarHBondContact O-N 2.92Å; A227-M243 HydrophobicContact CB-CE 4.06Å; A227-I245 HydrophobicContact CB-CG1 4.48Å |
| 228 | C | 76.6 | Confident | 76.6 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71 | -39.5 | 172.2 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | L224 Y225 E226 C232 M243 L299 L303 | L224-C228 WeakPolarHBondContact O-CB 3.4Å; L224-C228 PolarHBondContact O-N 3.38Å; L224-C228 PolarHBondContact O-SG 3.23Å; Y225-C228 WeakPolarHBondContact O-CB 3.35Å; Y225-C228 PolarHBondContact O-N 2.89Å; E226-C228 PolarHBondContact O-N 3.39Å; C228-C232 WeakPolarHBondContact O-CB 3.42Å; C228-C232 PolarHBondContact O-N 2.89Å; C228-C232 PolarHBondContact O-SG 2.9Å; C228-M243 WeakPolarHBondContact SG-CE 3.44Å; C228-L299 VanDerWaalsContact SG-CD2 3.57Å; C228-L303 HydrophobicContact CB-CD1 3.75Å; C228-L303 WeakPolarHBondContact SG-CD1 3.32Å |
| 229 | V | 78.2 | Confident | 75.7 | Confident | 69 Ų | 69 | 68.5 Ų | 68.5 | 42% | 0.418 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67 | -46.4 | 177.3 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | Y225 E226 C232 A233 | Y225-V229 HydrophobicContact CD1-CG2 4.01Å; Y225-V229 HydrophobicContact CE1-CG2 3.7Å; Y225-V229 WeakPolarHBondContact O-CG2 3.39Å; Y225-V229 PolarHBondContact O-N 3.12Å; E226-V229 PolarHBondContact O-N 2.69Å; V229-C232 WeakPolarHBondContact O-CB 3.45Å; V229-C232 PolarHBondContact O-N 3.05Å; V229-C232 VanDerWaalsContact O-N 3.16Å; V229-A233 WeakPolarHBondContact O-CB 3.33Å; V229-A233 PolarHBondContact O-N 3.31Å |
| 230 | D | 75.5 | Confident | 75 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 54% | 0.54 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 176 | -79.4 | -10.5 | 0 | 0 | 0 | 111.3 | E226 C232 A233 L234 | E226-D230 PolarHBondContact O-N 3.1Å; D230-C232 VanDerWaalsContact C-N 3.34Å; D230-C232 PolarHBondContact O-N 3.3Å; D230-A233 PolarHBondContact O-N 3.28Å; D230-L234 VanDerWaalsContact O-CB 3.29Å; D230-L234 WeakPolarHBondContact O-CB 3.3Å; D230-L234 VanDerWaalsContact O-CG 3.24Å; D230-L234 WeakPolarHBondContact O-CG 3.42Å; D230-L234 PolarHBondContact O-N 3.18Å |
| 231 | Y | 78.4 | Confident | 74.5 | Confident | 20 Ų | 20 | 71.9 Ų | 71.9 | 8% | 0.078 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 171.7 | 177.9 | -108.8 | 0 | 0 | 0 | 112.4 | A227 M235 A241 M243 L303 F311 | A227-Y231 VanDerWaalsContact O-CB 3.22Å; A227-Y231 WeakPolarHBondContact O-CB 3.4Å; A227-Y231 PolarHBondContact O-N 2.92Å; Y231-M235 HydrophobicContact CD1-CG 4.31Å; Y231-M235 HydrophobicContact CD2-CG 4.08Å; Y231-M235 HydrophobicContact CE1-CG 3.86Å; Y231-M235 HydrophobicContact CE2-CG 3.59Å; Y231-M235 HydrophobicContact CE2-SD 3.97Å; Y231-M235 HydrophobicContact CG-CG 4.42Å; Y231-M235 VanDerWaalsContact CZ-CG 3.46Å; Y231-M235 VanDerWaalsContact O-CB 3.29Å; Y231-M235 WeakPolarHBondContact O-CB 3.47Å; Y231-M235 VanDerWaalsContact O-CG 3.26Å; Y231-M235 WeakPolarHBondContact O-CG 3.37Å; Y231-M235 PolarHBondContact O-N 3.28Å; Y231-A241 HydrophobicContact CD2-CB 4.13Å; Y231-A241 HydrophobicContact CE2-CB 4.11Å; Y231-M243 HydrophobicContact CD2-CB 3.69Å; Y231-M243 HydrophobicContact CE2-CB 4.27Å; Y231-M243 HydrophobicContact CG-CB 3.83Å; Y231-M243 HydrophobicContact CG-CG 4.24Å; Y231-L303 HydrophobicContact CD1-CB 4.29Å; Y231-L303 HydrophobicContact CD1-CD1 4.45Å; Y231-L303 HydrophobicContact CE1-CB 4.1Å; Y231-F311 HydrophobicContact CE1-CE1 4.39Å; Y231-F311 HydrophobicContact CE1-CZ 4.06Å |
| 232 | C | 77.7 | Confident | 74.1 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 14% | 0.135 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67 | -38 | 177.5 | -72.3 | 0 | 0 | 0 | 0 | 112.7 | C228 V229 D230 A236 F311 F315 | C228-C232 WeakPolarHBondContact O-CB 3.42Å; C228-C232 PolarHBondContact O-N 2.89Å; C228-C232 PolarHBondContact O-SG 2.9Å; V229-C232 WeakPolarHBondContact O-CB 3.45Å; V229-C232 PolarHBondContact O-N 3.05Å; V229-C232 VanDerWaalsContact O-N 3.16Å; D230-C232 VanDerWaalsContact C-N 3.34Å; D230-C232 PolarHBondContact O-N 3.3Å; C232-A236 PolarHBondContact O-N 3.32Å; C232-F311 HydrophobicContact CB-CD1 4.42Å; C232-F311 HydrophobicContact CB-CE1 4.48Å; C232-F315 HydrophobicContact CB-CE1 4.23Å; C232-F315 HydrophobicContact CB-CE2 4.35Å; C232-F315 HydrophobicContact CB-CZ 3.71Å |
| 233 | A | 77.2 | Confident | 73.3 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.1 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V229 D230 M235 A236 T237 | V229-A233 WeakPolarHBondContact O-CB 3.33Å; V229-A233 PolarHBondContact O-N 3.31Å; D230-A233 PolarHBondContact O-N 3.28Å; A233-M235 PolarHBondContact O-N 3.1Å; A233-A236 WeakPolarHBondContact O-CB 3.47Å; A233-A236 PolarHBondContact O-N 3.37Å; A233-A236 VanDerWaalsContact O-N 3.09Å; A233-T237 PolarHBondContact O-N 3.46Å; A233-T237 VanDerWaalsContact O-N 3.1Å; A233-T237 PolarHBondContact O-OG1 3.28Å |
| 234 | L | 78.4 | Confident | 72.7 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 40% | 0.403 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.9 | -70.1 | 170.2 | 0 | 0 | 0 | 111.7 | D230 A236 T237 E238 A241 | D230-L234 VanDerWaalsContact O-CB 3.29Å; D230-L234 WeakPolarHBondContact O-CB 3.3Å; D230-L234 VanDerWaalsContact O-CG 3.24Å; D230-L234 WeakPolarHBondContact O-CG 3.42Å; D230-L234 PolarHBondContact O-N 3.18Å; L234-A236 PolarHBondContact O-N 3.36Å; L234-T237 PolarHBondContact O-N 3.14Å; L234-T237 PolarHBondContact O-OG1 3.19Å; L234-E238 CarbonylContact O-C 3.45Å; L234-E238 WeakPolarHBondContact O-CA 3.46Å; L234-E238 WeakPolarHBondContact O-CB 3.38Å; L234-E238 PolarHBondContact O-N 2.7Å; L234-A241 HydrophobicContact CB-CB 3.52Å |
| 235 | M | 78.7 | Confident | 72.1 | Confident | 17 Ų | 17 | 81.6 Ų | 81.6 | 8% | 0.084 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.4 | -24.1 | 174 | -78.3 | -62 | -67.4 | 0 | 0 | 113.7 | Y231 A233 A241 P308 F311 | Y231-M235 HydrophobicContact CD1-CG 4.31Å; Y231-M235 HydrophobicContact CD2-CG 4.08Å; Y231-M235 HydrophobicContact CE1-CG 3.86Å; Y231-M235 HydrophobicContact CE2-CG 3.59Å; Y231-M235 HydrophobicContact CE2-SD 3.97Å; Y231-M235 HydrophobicContact CG-CG 4.42Å; Y231-M235 VanDerWaalsContact CZ-CG 3.46Å; Y231-M235 VanDerWaalsContact O-CB 3.29Å; Y231-M235 WeakPolarHBondContact O-CB 3.47Å; Y231-M235 VanDerWaalsContact O-CG 3.26Å; Y231-M235 WeakPolarHBondContact O-CG 3.37Å; Y231-M235 PolarHBondContact O-N 3.28Å; A233-M235 PolarHBondContact O-N 3.1Å; M235-A241 HydrophobicContact CG-CB 3.94Å; M235-A241 HydrophobicContact SD-CB 3.79Å; M235-P308 HydrophobicContact CE-CB 4.27Å; M235-P308 HydrophobicContact CE-CG 4.16Å; M235-F311 HydrophobicContact CB-CB 4.13Å; M235-F311 HydrophobicContact CB-CD1 3.79Å; M235-F311 HydrophobicContact CB-CD2 4.01Å; M235-F311 HydrophobicContact CB-CE1 4.16Å; M235-F311 HydrophobicContact CB-CE2 4.36Å; M235-F311 HydrophobicContact CB-CG 3.71Å; M235-F311 HydrophobicContact CB-CZ 4.42Å; M235-F311 HydrophobicContact CE-CD2 3.97Å; M235-F311 HydrophobicContact CE-CE2 3.91Å; M235-F311 HydrophobicContact CG-CD2 4.48Å; M235-F311 HydrophobicContact CG-CE1 4.41Å; M235-F311 HydrophobicContact CG-CE2 4.37Å; M235-F311 HydrophobicContact CG-CZ 4.33Å |
| 236 | A | 74.7 | Confident | 70.8 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -82.6 | -29 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | C232 A233 L234 | C232-A236 PolarHBondContact O-N 3.32Å; A233-A236 WeakPolarHBondContact O-CB 3.47Å; A233-A236 PolarHBondContact O-N 3.37Å; A233-A236 VanDerWaalsContact O-N 3.09Å; L234-A236 PolarHBondContact O-N 3.36Å |
| 237 | T | 75.8 | Confident | 69.3 | Low | 108 Ų | 108 | 74.8 Ų | 74.8 | 66% | 0.663 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -93.7 | -37.1 | 176.6 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | A233 L234 | A233-T237 PolarHBondContact O-N 3.46Å; A233-T237 VanDerWaalsContact O-N 3.1Å; A233-T237 PolarHBondContact O-OG1 3.28Å; L234-T237 PolarHBondContact O-N 3.14Å; L234-T237 PolarHBondContact O-OG1 3.19Å |
| 238 | E | 69.7 | Low | 68 | Low | 124 Ų | 124 | 79 Ų | 79 | 58% | 0.579 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -131.1 | 113.2 | -171.6 | -63.2 | -172.7 | -167.5 | 0 | 0 | 110.7 | L234 K240 A241 | L234-E238 CarbonylContact O-C 3.45Å; L234-E238 WeakPolarHBondContact O-CA 3.46Å; L234-E238 WeakPolarHBondContact O-CB 3.38Å; L234-E238 PolarHBondContact O-N 2.7Å; E238-K240 PolarHBondContact O-N 3.11Å; E238-A241 PolarHBondContact O-N 3.39Å |
| 239 | Q | 65.5 | Low | 66.6 | Low | 170 Ų | 170 | 84.6 Ų | 84.6 | 79% | 0.794 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 9.9 | -170.2 | -59.7 | -179.1 | -5.9 | 0 | 0 | 116 | ||
| 240 | K | 65.5 | Low | 64.4 | Low | 196 Ų | 196 | 84.7 Ų | 84.7 | 85% | 0.852 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.9 | 33.8 | -175.4 | -68.5 | -167 | 174.7 | -174 | 0 | 113.5 | E238 | E238-K240 PolarHBondContact O-N 3.11Š|
| 241 | A | 65.5 | Low | 62.4 | Low | 17 Ų | 17 | 82 Ų | 82 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | trans | -59.9 | 151.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y231 L234 M235 E238 | Y231-A241 HydrophobicContact CD2-CB 4.13Å; Y231-A241 HydrophobicContact CE2-CB 4.11Å; L234-A241 HydrophobicContact CB-CB 3.52Å; M235-A241 HydrophobicContact CG-CB 3.94Å; M235-A241 HydrophobicContact SD-CB 3.79Å; E238-A241 PolarHBondContact O-N 3.39Å | ||
| 242 | Q | 66.5 | Low | 60.4 | Low | 168 Ų | 168 | 87 Ų | 87 | 79% | 0.785 | 50% | 0.496 | S | S | * | . | trans | -121.3 | 141.4 | 165.1 | -70.2 | -174.7 | -56.6 | 0 | 0 | 108.3 | Q244 | Q242-Q244 PolarHBondContact O-N 2.94Š| ||
| 243 | M | 65 | Low | 58.5 | Low | 24 Ų | 24 | 92.3 Ų | 92.3 | 12% | 0.118 | 52% | 0.522 | C | S | . | . | trans | -77.4 | 109.6 | -178 | -175.6 | 173.8 | 166.8 | 0 | 0 | 110.2 | A227 C228 Y231 I245 N300 L303 | A227-M243 HydrophobicContact CB-CE 4.06Å; C228-M243 WeakPolarHBondContact SG-CE 3.44Å; Y231-M243 HydrophobicContact CD2-CB 3.69Å; Y231-M243 HydrophobicContact CE2-CB 4.27Å; Y231-M243 HydrophobicContact CG-CB 3.83Å; Y231-M243 HydrophobicContact CG-CG 4.24Å; M243-I245 HydrophobicContact CE-CD1 3.97Å; M243-I245 HydrophobicContact CE-CG1 3.8Å; M243-I245 HydrophobicContact CG-CG1 4.43Å; M243-N300 HydrophobicContact CE-CB 4.39Å; M243-N300 HydrophobicContact SD-CB 4.08Å; M243-N300 VanDerWaalsContact SD-CG 3.52Å; M243-N300 PolarHBondContact SD-OD1 3.43Å; M243-L303 HydrophobicContact SD-CD1 4.43Å | ||
| 244 | Q | 61.1 | Low | 56.8 | Low | 148 Ų | 148 | 96.8 Ų | 96.8 | 69% | 0.692 | 54% | 0.539 | S | S | * | . | trans | -92.9 | 101.8 | 176.1 | -67.4 | 179.5 | -12.7 | 0 | 0 | 109.5 | Q242 | Q242-Q244 PolarHBondContact O-N 2.94Š| ||
| 245 | I | 59 | Low | 55.3 | Low | 64 Ų | 64 | 99.9 Ų | 99.9 | 33% | 0.328 | 55% | 0.552 | S | S | . | * | trans | -86.5 | -35 | 164.4 | -57.4 | 167.6 | 0 | 0 | 0 | 109.4 | L224 A227 M243 N300 | L224-I245 HydrophobicContact CD2-CD1 3.68Å; L224-I245 HydrophobicContact CD2-CG1 4.05Å; L224-I245 HydrophobicContact CD2-CG2 3.98Å; A227-I245 HydrophobicContact CB-CG1 4.48Å; M243-I245 HydrophobicContact CE-CD1 3.97Å; M243-I245 HydrophobicContact CE-CG1 3.8Å; M243-I245 HydrophobicContact CG-CG1 4.43Å; I245-N300 WeakPolarHBondContact CD1-ND2 3.42Å | ||
| 246 | T | 48.7 | Very low | 53.5 | Low | 79 Ų | 79 | 101.7 Ų | 101.7 | 49% | 0.485 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.1 | 140.2 | -177.7 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | E256 | T246-E256 WeakPolarHBondContact CA-OE1 3.41Å; T246-E256 WeakPolarHBondContact CB-OE1 3.34Å; T246-E256 WeakPolarHBondContact CB-OE2 3.27Å; T246-E256 VanDerWaalsContact CG2-CD 3.43Å; T246-E256 WeakPolarHBondContact CG2-OE1 3.34Å; T246-E256 VanDerWaalsContact CG2-OE2 3.31Å; T246-E256 WeakPolarHBondContact CG2-OE2 3.1Å |
| 247 | G | 43.7 | Very low | 51.9 | Low | 49 Ų | 49 | 104.5 Ų | 104.5 | 51% | 0.505 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 89.3 | -15.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 248 | M | 47.1 | Very low | 50.4 | Low | 94 Ų | 94 | 105.5 Ų | 105.5 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -74.5 | -30 | 172.7 | -72.7 | -158.8 | 81.6 | 0 | 0 | 113.2 | L223 | L223-M248 HydrophobicContact CD2-CB 4.44Å; L223-M248 HydrophobicContact CD2-CE 3.64Å; L223-M248 HydrophobicContact CD2-SD 4.13Å |
| 249 | L | 46.6 | Very low | 49.3 | Very low | 129 Ų | 129 | 103.7 Ų | 103.7 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -100.2 | 91.7 | 167.3 | -69.3 | 169.7 | 0 | 0 | 0 | 107 | L223 G251 | L223-L249 HydrophobicContact CD1-CD1 4.46Å; L223-L249 HydrophobicContact CD1-CD2 3.96Å; L223-L249 HydrophobicContact CD1-CG 4.12Å; L249-G251 PolarHBondContact O-N 3.02Å |
| 250 | G | 32.4 | Very low | 48.4 | Very low | 70 Ų | 70 | 101.9 Ų | 101.9 | 72% | 0.722 | 55% | 0.55 | S | S | * | . | trans | -58.3 | 107.4 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 251 | G | 32.9 | Very low | 47.6 | Very low | 45 Ų | 45 | 99.2 Ų | 99.2 | 46% | 0.464 | 53% | 0.534 | S | S | . | . | trans | -134.8 | 156.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L249 | L249-G251 PolarHBondContact O-N 3.02Š| ||
| 252 | D | 37.1 | Very low | 46.7 | Very low | 125 Ų | 125 | 102.7 Ų | 102.7 | 67% | 0.668 | 55% | 0.55 | S | S | * | * | trans | -71.4 | 143.3 | 175.6 | -85.7 | -39.4 | 0 | 0 | 0 | 110.4 | D254 E255 | D252-D254 PolarHBondContact O-N 3.03Å; D252-E255 PolarHBondContact O-N 3.28Å | ||
| 253 | L | 37.4 | Very low | 45.4 | Very low | 132 Ų | 132 | 100 Ų | 100 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.9 | -11.2 | -173.1 | -69.6 | 163.6 | 0 | 0 | 0 | 115.4 | ||
| 254 | D | 42 | Very low | 44.4 | Very low | 141 Ų | 141 | 103 Ų | 103 | 75% | 0.754 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -76.7 | -23.7 | 179.4 | -73.4 | -7.1 | 0 | 0 | 0 | 113 | D252 | D252-D254 PolarHBondContact O-N 3.03Å |
| 255 | E | 46.3 | Very low | 43.5 | Very low | 142 Ų | 142 | 101.9 Ų | 101.9 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -92 | -22 | -178.1 | -66.4 | -169.2 | 172.1 | 0 | 0 | 114 | D252 E258 T259 | D252-E255 PolarHBondContact O-N 3.28Å; E255-E258 PolarHBondContact O-N 3.47Å; E255-T259 PolarHBondContact O-N 3.19Å; E255-T259 VanDerWaalsContact O-N 3.11Å; E255-T259 PolarHBondContact O-OG1 3.24Å |
| 256 | E | 40.9 | Very low | 42.7 | Very low | 55 Ų | 55 | 103.4 Ų | 103.4 | 26% | 0.257 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.4 | -38.8 | 178.1 | -72.8 | -178.8 | 151.3 | 0 | 0 | 111.9 | T246 E258 T259 E260 | T246-E256 WeakPolarHBondContact CA-OE1 3.41Å; T246-E256 WeakPolarHBondContact CB-OE1 3.34Å; T246-E256 WeakPolarHBondContact CB-OE2 3.27Å; T246-E256 VanDerWaalsContact CG2-CD 3.43Å; T246-E256 WeakPolarHBondContact CG2-OE1 3.34Å; T246-E256 VanDerWaalsContact CG2-OE2 3.31Å; T246-E256 WeakPolarHBondContact CG2-OE2 3.1Å; E256-E258 VanDerWaalsContact C-N 3.3Å; E256-E258 PolarHBondContact O-N 2.9Å; E256-T259 WeakPolarHBondContact CA-OG1 3.33Å; E256-T259 PolarHBondContact O-N 3.12Å; E256-T259 PolarHBondContact O-OG1 3.07Å; E256-E260 PolarHBondContact O-N 3.11Å |
| 257 | E | 41.8 | Very low | 42.4 | Very low | 114 Ų | 114 | 103.5 Ų | 103.5 | 53% | 0.533 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.2 | -28.9 | 179.8 | -145 | -153.9 | 168.3 | 0 | 0 | 112.6 | R261 | E257-R261 WeakPolarHBondContact O-CD 3.39Å; E257-R261 WeakPolarHBondContact O-CG 3.42Å; E257-R261 PolarHBondContact O-N 2.97Å; E257-R261 IonicContact OE1-CZ 2.92Å; E257-R261 IonicContact OE1-NE 3.86Å; E257-R261 IonicContact OE1-NH2 2.63Å; E257-R261 PolarHBondContact OE1-NH2 3.27Å; E257-R261 IonicContact OE2-CZ 2.73Å; E257-R261 IonicContact OE2-NH2 3.88Å; E257-R261 PolarHBondContact OE2-NH2 2.97Å |
| 258 | E | 44.2 | Very low | 42.2 | Very low | 130 Ų | 130 | 105.1 Ų | 105.1 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -80.2 | -38 | 176.6 | -168.5 | 155.5 | -121.9 | 0 | 0 | 111.7 | E255 E256 R261 L262 | E255-E258 PolarHBondContact O-N 3.47Å; E256-E258 VanDerWaalsContact C-N 3.3Å; E256-E258 PolarHBondContact O-N 2.9Å; E258-R261 PolarHBondContact O-N 3.27Å; E258-L262 HydrophobicContact CG-CD1 4.46Å; E258-L262 WeakPolarHBondContact O-CG 3.35Å; E258-L262 PolarHBondContact O-N 3.3Å |
| 259 | T | 46.8 | Very low | 41.8 | Very low | 86 Ų | 86 | 106.3 Ų | 106.3 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.5 | -36.8 | 175.2 | 46.3 | 0 | 0 | 0 | 0 | 113.1 | E255 E256 L262 Y263 | E255-T259 PolarHBondContact O-N 3.19Å; E255-T259 VanDerWaalsContact O-N 3.11Å; E255-T259 PolarHBondContact O-OG1 3.24Å; E256-T259 WeakPolarHBondContact CA-OG1 3.33Å; E256-T259 PolarHBondContact O-N 3.12Å; E256-T259 PolarHBondContact O-OG1 3.07Å; T259-L262 PolarHBondContact O-N 3Å; T259-Y263 WeakPolarHBondContact O-CB 3.35Å; T259-Y263 PolarHBondContact O-N 3.21Å |
| 260 | E | 45 | Very low | 41.3 | Very low | 131 Ų | 131 | 106.5 Ų | 106.5 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.9 | -40.7 | 170 | -79.7 | -152 | 137.5 | 0 | 0 | 112.2 | E256 Y263 N264 | E256-E260 PolarHBondContact O-N 3.11Å; E260-Y263 PolarHBondContact O-N 2.93Å; E260-N264 WeakPolarHBondContact O-CB 3.38Å; E260-N264 PolarHBondContact O-N 3.2Å; E260-N264 PolarHBondContact O-ND2 2.88Å |
| 261 | R | 48.9 | Very low | 41.6 | Very low | 140 Ų | 140 | 108.7 Ų | 108.7 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -43.8 | 176.6 | -74.9 | 167.2 | -174.4 | 177.3 | 4 | 111.5 | E257 E258 N264 Q265 | E257-R261 WeakPolarHBondContact O-CD 3.39Å; E257-R261 WeakPolarHBondContact O-CG 3.42Å; E257-R261 PolarHBondContact O-N 2.97Å; E257-R261 IonicContact OE1-CZ 2.92Å; E257-R261 IonicContact OE1-NE 3.86Å; E257-R261 IonicContact OE1-NH2 2.63Å; E257-R261 PolarHBondContact OE1-NH2 3.27Å; E257-R261 IonicContact OE2-CZ 2.73Å; E257-R261 IonicContact OE2-NH2 3.88Å; E257-R261 PolarHBondContact OE2-NH2 2.97Å; E258-R261 PolarHBondContact O-N 3.27Å; R261-N264 PolarHBondContact O-N 2.66Å; R261-Q265 PolarHBondContact O-N 2.82Å |
| 262 | L | 47.1 | Very low | 41.7 | Very low | 90 Ų | 90 | 110.5 Ų | 110.5 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.8 | -39 | 175.8 | -72.2 | 167.3 | 0 | 0 | 0 | 112.3 | E258 T259 N266 | E258-L262 HydrophobicContact CG-CD1 4.46Å; E258-L262 WeakPolarHBondContact O-CG 3.35Å; E258-L262 PolarHBondContact O-N 3.3Å; T259-L262 PolarHBondContact O-N 3Å; L262-N266 PolarHBondContact O-N 2.85Å; L262-N266 PolarHBondContact O-ND2 3.17Å |
| 263 | Y | 40.1 | Very low | 41.6 | Very low | 113 Ų | 113 | 112.7 Ų | 112.7 | 44% | 0.443 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -47.1 | 175.8 | -170.9 | -107 | 0 | 0 | 0 | 111.7 | T259 E260 Q265 N266 I267 | T259-Y263 WeakPolarHBondContact O-CB 3.35Å; T259-Y263 PolarHBondContact O-N 3.21Å; E260-Y263 PolarHBondContact O-N 2.93Å; Y263-Q265 PolarHBondContact O-N 3.46Å; Y263-N266 PolarHBondContact O-N 3.44Å; Y263-I267 HydrophobicContact CD1-CD1 3.89Å; Y263-I267 HydrophobicContact CE1-CD1 3.46Å; Y263-I267 VanDerWaalsContact CE1-CD1 3.46Å; Y263-I267 PolarHBondContact O-N 2.74Å |
| 264 | N | 43.4 | Very low | 41.3 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 47% | 0.465 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.8 | -34.1 | 179 | -76.9 | -68.3 | 0 | 0 | 0 | 113.3 | E260 R261 S268 | E260-N264 WeakPolarHBondContact O-CB 3.38Å; E260-N264 PolarHBondContact O-N 3.2Å; E260-N264 PolarHBondContact O-ND2 2.88Å; R261-N264 PolarHBondContact O-N 2.66Å; N264-S268 WeakPolarHBondContact O-CB 3.35Å; N264-S268 PolarHBondContact O-N 3.2Å; N264-S268 VanDerWaalsContact O-N 3.16Å; N264-S268 PolarHBondContact O-OG 2.91Å |
| 265 | Q | 41.3 | Very low | 40.7 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.7 | -44.6 | 172.2 | -85.9 | -173.1 | -30.5 | 0 | 0 | 112.4 | R261 Y263 I267 S268 L269 | R261-Q265 PolarHBondContact O-N 2.82Å; Y263-Q265 PolarHBondContact O-N 3.46Å; Q265-I267 PolarHBondContact O-N 2.79Å; Q265-S268 WeakPolarHBondContact O-CB 3.43Å; Q265-S268 PolarHBondContact O-N 3.49Å; Q265-L269 PolarHBondContact O-N 3.4Å; Q265-L269 VanDerWaalsContact O-N 3.13Å |
| 266 | N | 42.2 | Very low | 40 | Very low | 97 Ų | 97 | 115.6 Ų | 115.6 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.7 | -37.6 | -177.8 | -77.7 | -65.2 | 0 | 0 | 0 | 112.8 | L262 Y263 S268 L269 H270 | L262-N266 PolarHBondContact O-N 2.85Å; L262-N266 PolarHBondContact O-ND2 3.17Å; Y263-N266 PolarHBondContact O-N 3.44Å; N266-S268 VanDerWaalsContact C-N 3.35Å; N266-L269 PolarHBondContact O-N 3.41Å; N266-H270 PolarHBondContact O-N 3.33Å |
| 267 | I | 44 | Very low | 39.5 | Very low | 80 Ų | 80 | 120.1 Ų | 120.1 | 41% | 0.41 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.4 | -39.3 | 173.5 | -68.4 | 175.2 | 0 | 0 | 0 | 111.3 | Y263 Q265 L269 T271 | Y263-I267 HydrophobicContact CD1-CD1 3.89Å; Y263-I267 HydrophobicContact CE1-CD1 3.46Å; Y263-I267 VanDerWaalsContact CE1-CD1 3.46Å; Y263-I267 PolarHBondContact O-N 2.74Å; Q265-I267 PolarHBondContact O-N 2.79Å; I267-L269 VanDerWaalsContact C-N 3.33Å; I267-L269 PolarHBondContact O-N 2.73Å; I267-T271 PolarHBondContact O-N 2.95Å; I267-T271 PolarHBondContact O-OG1 3.32Å |
| 268 | S | 39.2 | Very low | 38.8 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 59% | 0.587 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.7 | -35.8 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | N264 Q265 N266 | N264-S268 WeakPolarHBondContact O-CB 3.35Å; N264-S268 PolarHBondContact O-N 3.2Å; N264-S268 VanDerWaalsContact O-N 3.16Å; N264-S268 PolarHBondContact O-OG 2.91Å; Q265-S268 WeakPolarHBondContact O-CB 3.43Å; Q265-S268 PolarHBondContact O-N 3.49Å; N266-S268 VanDerWaalsContact C-N 3.35Å |
| 269 | L | 38.3 | Very low | 38 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 62% | 0.618 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.3 | -45.6 | 178 | -72.6 | 165.7 | 0 | 0 | 0 | 112.5 | Q265 N266 I267 T271 A272 | Q265-L269 PolarHBondContact O-N 3.4Å; Q265-L269 VanDerWaalsContact O-N 3.13Å; N266-L269 PolarHBondContact O-N 3.41Å; I267-L269 VanDerWaalsContact C-N 3.33Å; I267-L269 PolarHBondContact O-N 2.73Å; L269-T271 VanDerWaalsContact C-N 3.26Å; L269-T271 PolarHBondContact O-N 2.97Å; L269-A272 PolarHBondContact O-N 2.96Å |
| 270 | H | 37.1 | Very low | 37.1 | Very low | 133 Ų | 133 | 131 Ų | 131 | 62% | 0.616 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.2 | -20 | -177.1 | -98.6 | -67.7 | 0 | 0 | 0 | 114.8 | N266 A272 | N266-H270 PolarHBondContact O-N 3.33Å; H270-A272 VanDerWaalsContact C-N 3.33Å |
| 271 | T | 37.4 | Very low | 36.1 | Very low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -12 | -179.5 | -49.5 | 0 | 0 | 0 | 0 | 112.7 | I267 L269 | I267-T271 PolarHBondContact O-N 2.95Å; I267-T271 PolarHBondContact O-OG1 3.32Å; L269-T271 VanDerWaalsContact C-N 3.26Å; L269-T271 PolarHBondContact O-N 2.97Å |
| 272 | A | 35.9 | Very low | 35 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -97.8 | -9.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L269 H270 | L269-A272 PolarHBondContact O-N 2.96Å; H270-A272 VanDerWaalsContact C-N 3.33Å |
| 273 | Q | 34.1 | Very low | 33.9 | Very low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -116.4 | -7.5 | -170 | -70.6 | -173.3 | -24.9 | 0 | 0 | 116.1 | N275 | Q273-N275 PolarHBondContact O-N 2.69Š|
| 274 | N | 30.9 | Very low | 33.2 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | trans | -85.4 | 36.4 | -174.5 | -77.8 | -26.5 | 0 | 0 | 0 | 114.8 | ||||
| 275 | N | 30 | Very low | 32.4 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -138.1 | 54 | -178 | -100.5 | -22.8 | 0 | 0 | 0 | 112.8 | Q273 | Q273-N275 PolarHBondContact O-N 2.69Š|
| 276 | E | 30.8 | Very low | 31.6 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -167.4 | 162.3 | 149.2 | -116.3 | 165.9 | -147.9 | 0 | 0 | 114.5 | ||
| 277 | I | 30.9 | Very low | 30.9 | Very low | 150 Ų | 150 | 136 Ų | 136 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | 67.3 | 102.6 | 165.1 | -60 | 155.5 | 0 | 0 | 0 | 117.4 | ||||
| 278 | N | 27.2 | Very low | 30 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -79.2 | 167.5 | 156.5 | -80.7 | -83.1 | 0 | 0 | 0 | 111.3 | ||||
| 279 | Q | 28.5 | Very low | 29.3 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | 79.3 | 95.4 | 165.3 | -46.2 | 179.6 | 23.1 | 0 | 0 | 118.1 | ||||
| 280 | R | 27.3 | Very low | 28.8 | Very low | 240 Ų | 240 | 143.3 Ų | 143.3 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | 179.5 | 161.6 | 101.4 | -94.9 | 168 | -174.6 | -168.9 | 0.5 | 112 | |||||
| 281 | S | 23.5 | Very low | 28.2 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | trans | -85.1 | 143.4 | 176.5 | 46.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 282 | H | 26 | Very low | 27.8 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | 168 | 140.4 | 109.6 | -85.7 | -69 | 0 | 0 | 0 | 111.2 | |||||
| 283 | T | 24.3 | Very low | 27.7 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | 28.3 | 119.4 | 153.5 | 54.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 284 | H | 26.1 | Very low | 27.6 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | -176.8 | 150.1 | 114.8 | -97 | -69.2 | 0 | 0 | 0 | 113 | |||||
| 285 | S | 25.6 | Very low | 28.1 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 25 | 111.1 | 157.6 | 57.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 286 | T | 24.7 | Very low | 29.1 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -90 | 101.2 | 165.8 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 287 | S | 26.9 | Very low | 30.2 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | -86.9 | 115.2 | 162.9 | 45.5 | 0 | 0 | 0 | 0 | 109.9 | C289 | S287-C289 PolarHBondContact O-N 3.12Š| ||
| 288 | H | 25.9 | Very low | 31.8 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | trans | -79.2 | 83 | -178.3 | -89.4 | -47.7 | 0 | 0 | 0 | 112.5 | H290 | H288-H290 PolarHBondContact O-N 2.72Š| ||
| 289 | C | 23.7 | Very low | 33.6 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 78% | 0.777 | 67% | 0.668 | S | S | * | * | trans | -68 | 110.2 | 160.2 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | S287 Q291 | S287-C289 PolarHBondContact O-N 3.12Å; C289-Q291 PolarHBondContact O-N 3.13Å; C289-Q291 VanDerWaalsContact O-N 3.09Å | ||
| 290 | H | 27.6 | Very low | 35.3 | Very low | 160 Ų | 160 | 114.5 Ų | 114.5 | 74% | 0.741 | 64% | 0.636 | S | S | * | * | trans | -77.9 | 90.7 | 178.2 | -82.7 | -46 | 0 | 0 | 0 | 111.7 | H288 | H288-H290 PolarHBondContact O-N 2.72Š| ||
| 291 | Q | 25.7 | Very low | 37.1 | Very low | 153 Ų | 153 | 106.8 Ų | 106.8 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | trans | -62.6 | 130.4 | 164.4 | -74.3 | -176.6 | -26.2 | 0 | 0 | 110.7 | C289 V293 | C289-Q291 PolarHBondContact O-N 3.13Å; C289-Q291 VanDerWaalsContact O-N 3.09Å; Q291-V293 PolarHBondContact O-N 3.19Å; Q291-V293 VanDerWaalsContact O-N 3.17Å | ||
| 292 | P | 29.3 | Very low | 39.4 | Very low | 125 Ų | 125 | 109.8 Ų | 109.8 | 81% | 0.812 | 62% | 0.617 | S | S | * | * | trans | -72.7 | 106.5 | 169.7 | 29.3 | -32.1 | 0 | 0 | 0 | 109.5 | A294 | P292-A294 PolarHBondContact O-N 2.91Š| ||
| 293 | V | 33 | Very low | 41.5 | Very low | 130 Ų | 130 | 102.5 Ų | 102.5 | 79% | 0.788 | 58% | 0.583 | S | S | * | * | trans | -65.2 | 104.6 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | Q291 P295 | Q291-V293 PolarHBondContact O-N 3.19Å; Q291-V293 VanDerWaalsContact O-N 3.17Å; V293-P295 WeakPolarHBondContact O-CD 3.27Å | ||
| 294 | A | 32.3 | Very low | 43.6 | Very low | 57 Ų | 57 | 103.2 Ų | 103.2 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | trans | -65.7 | 114.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P292 | P292-A294 PolarHBondContact O-N 2.91Š| ||
| 295 | P | 41 | Very low | 45.9 | Very low | 62 Ų | 62 | 98.6 Ų | 98.6 | 40% | 0.403 | 57% | 0.567 | S | S | . | * | trans | -83.5 | 163.4 | 174.8 | -9.1 | 29.7 | 0 | 0 | 0 | 111.7 | V293 L297 | V293-P295 WeakPolarHBondContact O-CD 3.27Å; P295-L297 VanDerWaalsContact C-N 3.27Å; P295-L297 PolarHBondContact O-N 3.3Å | ||
| 296 | D | 51.4 | Low | 48.2 | Very low | 45 Ų | 45 | 95.3 Ų | 95.3 | 24% | 0.241 | 54% | 0.541 | C | S | . | . | trans | 63.8 | 1.2 | 148.6 | -48.4 | -20.4 | 0 | 0 | 0 | 119.8 | K221 L224 S298 L299 | K221-D296 WeakPolarHBondContact CE-OD2 3.47Å; K221-D296 VanDerWaalsContact CG-OD2 3.28Å; K221-D296 WeakPolarHBondContact CG-OD2 3.31Å; K221-D296 IonicContact NZ-OD1 2.71Å; K221-D296 PolarHBondContact NZ-OD1 3.03Å; K221-D296 IonicContact NZ-OD2 3.92Å; K221-D296 PolarHBondContact NZ-OD2 3.25Å; L224-D296 HydrophobicContact CD1-CB 3.82Å; D296-S298 PolarHBondContact O-N 3.13Å; D296-L299 WeakPolarHBondContact O-CB 3.3Å; D296-L299 PolarHBondContact O-N 2.92Å | ||
| 297 | L | 54.5 | Low | 50.4 | Low | 98 Ų | 98 | 96.6 Ų | 96.6 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -53.5 | -25.3 | 163.9 | -92.1 | 169.7 | 0 | 0 | 0 | 112.8 | P295 L299 S301 | P295-L297 VanDerWaalsContact C-N 3.27Å; P295-L297 PolarHBondContact O-N 3.3Å; L297-L299 VanDerWaalsContact C-N 3.34Å; L297-S301 WeakPolarHBondContact O-CB 3.32Å; L297-S301 PolarHBondContact O-N 3.4Å; L297-S301 VanDerWaalsContact O-N 3.07Å; L297-S301 PolarHBondContact O-OG 2.93Å |
| 298 | S | 63.2 | Low | 52.4 | Low | 86 Ų | 86 | 94.8 Ų | 94.8 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -32.9 | 172 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | D296 W302 | D296-S298 PolarHBondContact O-N 3.13Å; S298-W302 VanDerWaalsContact O-CB 3.32Å; S298-W302 WeakPolarHBondContact O-CB 3.31Å; S298-W302 PolarHBondContact O-N 2.71Å |
| 299 | L | 65.8 | Low | 54.6 | Low | 65 Ų | 65 | 92.3 Ų | 92.3 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.2 | -45 | 179.5 | -179.8 | 60 | 0 | 0 | 0 | 111.1 | C228 D296 L297 S301 W302 L303 | C228-L299 VanDerWaalsContact SG-CD2 3.57Å; D296-L299 WeakPolarHBondContact O-CB 3.3Å; D296-L299 PolarHBondContact O-N 2.92Å; L297-L299 VanDerWaalsContact C-N 3.34Å; L299-S301 VanDerWaalsContact C-N 3.35Å; L299-W302 HydrophobicContact CD1-CE3 4.13Å; L299-W302 PolarHBondContact O-N 2.63Å; L299-L303 HydrophobicContact CD1-CD1 4.43Å; L299-L303 HydrophobicContact CD1-CG 4.38Å; L299-L303 HydrophobicContact CG-CD1 4.3Å; L299-L303 WeakPolarHBondContact O-CG 3.32Å; L299-L303 PolarHBondContact O-N 3.2Å |
| 300 | N | 63.1 | Low | 56.9 | Low | 23 Ų | 23 | 91.2 Ų | 91.2 | 12% | 0.123 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 174.3 | -168.5 | -4.3 | 0 | 0 | 0 | 110.3 | M243 I245 W302 L303 Q304 | M243-N300 HydrophobicContact CE-CB 4.39Å; M243-N300 HydrophobicContact SD-CB 4.08Å; M243-N300 VanDerWaalsContact SD-CG 3.52Å; M243-N300 PolarHBondContact SD-OD1 3.43Å; I245-N300 WeakPolarHBondContact CD1-ND2 3.42Å; N300-W302 VanDerWaalsContact C-N 3.29Å; N300-W302 PolarHBondContact O-N 3.47Å; N300-L303 PolarHBondContact O-N 3.5Å; N300-Q304 WeakPolarHBondContact O-CG 3.45Å; N300-Q304 PolarHBondContact O-N 2.86Å; N300-Q304 PolarHBondContact OD1-NE2 3Å |
| 301 | S | 64.9 | Low | 59 | Low | 78 Ų | 78 | 84.1 Ų | 84.1 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.7 | -38 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | L297 L299 S305 | L297-S301 WeakPolarHBondContact O-CB 3.32Å; L297-S301 PolarHBondContact O-N 3.4Å; L297-S301 VanDerWaalsContact O-N 3.07Å; L297-S301 PolarHBondContact O-OG 2.93Å; L299-S301 VanDerWaalsContact C-N 3.35Å; S301-S305 PolarHBondContact O-N 3.39Å |
| 302 | W | 72.5 | Confident | 60.9 | Low | 152 Ų | 152 | 81.3 Ų | 81.3 | 58% | 0.576 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.8 | -46.3 | 176.8 | 179.9 | 76.1 | 0 | 0 | 0 | 112.2 | S298 L299 N300 Q304 S305 L306 | S298-W302 VanDerWaalsContact O-CB 3.32Å; S298-W302 WeakPolarHBondContact O-CB 3.31Å; S298-W302 PolarHBondContact O-N 2.71Å; L299-W302 HydrophobicContact CD1-CE3 4.13Å; L299-W302 PolarHBondContact O-N 2.63Å; N300-W302 VanDerWaalsContact C-N 3.29Å; N300-W302 PolarHBondContact O-N 3.47Å; W302-Q304 PolarHBondContact O-N 3.48Å; W302-S305 WeakPolarHBondContact O-CB 3.36Å; W302-S305 PolarHBondContact O-N 3.28Å; W302-S305 PolarHBondContact O-OG 3.12Å; W302-L306 HydrophobicContact CE3-CD1 4.44Å; W302-L306 HydrophobicContact CH2-CD1 4.1Å; W302-L306 HydrophobicContact CZ2-CD1 4.44Å; W302-L306 HydrophobicContact CZ2-CD2 4.13Å; W302-L306 HydrophobicContact CZ3-CD1 4.1Å |
| 303 | L | 70.7 | Confident | 62.5 | Low | 9 Ų | 9 | 82.6 Ų | 82.6 | 5% | 0.047 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 178 | -73.9 | 173.5 | 0 | 0 | 0 | 111.9 | C228 Y231 M243 L299 N300 S305 L306 | C228-L303 HydrophobicContact CB-CD1 3.75Å; C228-L303 WeakPolarHBondContact SG-CD1 3.32Å; Y231-L303 HydrophobicContact CD1-CB 4.29Å; Y231-L303 HydrophobicContact CD1-CD1 4.45Å; Y231-L303 HydrophobicContact CE1-CB 4.1Å; M243-L303 HydrophobicContact SD-CD1 4.43Å; L299-L303 HydrophobicContact CD1-CD1 4.43Å; L299-L303 HydrophobicContact CD1-CG 4.38Å; L299-L303 HydrophobicContact CG-CD1 4.3Å; L299-L303 WeakPolarHBondContact O-CG 3.32Å; L299-L303 PolarHBondContact O-N 3.2Å; N300-L303 PolarHBondContact O-N 3.5Å; L303-S305 PolarHBondContact O-N 3.02Å; L303-L306 HydrophobicContact CD2-CD1 4.01Å; L303-L306 WeakPolarHBondContact O-CB 3.42Å; L303-L306 PolarHBondContact O-N 3.34Å; L303-L306 VanDerWaalsContact O-N 3.09Å |
| 304 | Q | 68.7 | Low | 63.5 | Low | 125 Ų | 125 | 82.4 Ų | 82.4 | 58% | 0.584 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.9 | -19.5 | 175.6 | -67.9 | -173.8 | 30.2 | 0 | 0 | 113.6 | N300 W302 L306 | N300-Q304 WeakPolarHBondContact O-CG 3.45Å; N300-Q304 PolarHBondContact O-N 2.86Å; N300-Q304 PolarHBondContact OD1-NE2 3Å; W302-Q304 PolarHBondContact O-N 3.48Å; Q304-L306 VanDerWaalsContact C-N 3.35Å |
| 305 | S | 74 | Confident | 64.9 | Low | 81 Ų | 81 | 85.7 Ų | 85.7 | 57% | 0.566 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -80.4 | -14 | 174.7 | 82.4 | 0 | 0 | 0 | 0 | 113.8 | S301 W302 L303 | S301-S305 PolarHBondContact O-N 3.39Å; W302-S305 WeakPolarHBondContact O-CB 3.36Å; W302-S305 PolarHBondContact O-N 3.28Å; W302-S305 PolarHBondContact O-OG 3.12Å; L303-S305 PolarHBondContact O-N 3.02Å |
| 306 | L | 73.6 | Confident | 65.9 | Low | 38 Ų | 38 | 89.4 Ų | 89.4 | 20% | 0.199 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -75.7 | 134.6 | 180 | -57.3 | -179.8 | 0 | 0 | 0 | 110.5 | W302 L303 Q304 N310 F311 | W302-L306 HydrophobicContact CE3-CD1 4.44Å; W302-L306 HydrophobicContact CH2-CD1 4.1Å; W302-L306 HydrophobicContact CZ2-CD1 4.44Å; W302-L306 HydrophobicContact CZ2-CD2 4.13Å; W302-L306 HydrophobicContact CZ3-CD1 4.1Å; L303-L306 HydrophobicContact CD2-CD1 4.01Å; L303-L306 WeakPolarHBondContact O-CB 3.42Å; L303-L306 PolarHBondContact O-N 3.34Å; L303-L306 VanDerWaalsContact O-N 3.09Å; Q304-L306 VanDerWaalsContact C-N 3.35Å; L306-N310 HydrophobicContact CB-CB 4.32Å; L306-F311 HydrophobicContact CB-CE2 3.78Å; L306-F311 HydrophobicContact CB-CZ 3.87Å; L306-F311 HydrophobicContact CD1-CE1 4.47Å; L306-F311 HydrophobicContact CD1-CZ 4.03Å |
| 307 | K | 71.8 | Confident | 66.4 | Low | 155 Ų | 155 | 91.3 Ų | 91.3 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | trans | -70.9 | 148.9 | 175.7 | -65.3 | 179 | -178.7 | 176.5 | 0 | 109.7 | V309 N310 | K307-V309 PolarHBondContact O-N 2.92Å; K307-N310 VanDerWaalsContact O-CB 3.27Å; K307-N310 WeakPolarHBondContact O-CB 3.49Å; K307-N310 PolarHBondContact O-N 3.05Å | ||
| 308 | P | 68.5 | Low | 66.9 | Low | 73 Ų | 73 | 92 Ų | 92 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -51.5 | -31.1 | 177.8 | -30.3 | 35.9 | 0 | 0 | 0 | 114.7 | M235 N310 F311 | M235-P308 HydrophobicContact CE-CB 4.27Å; M235-P308 HydrophobicContact CE-CG 4.16Å; P308-N310 PolarHBondContact O-N 3.12Å; P308-F311 PolarHBondContact O-N 3.15Å |
| 309 | V | 71 | Confident | 67.2 | Low | 109 Ų | 109 | 91.9 Ų | 91.9 | 66% | 0.661 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -58.8 | -27.7 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 112.9 | K307 F311 S312 | K307-V309 PolarHBondContact O-N 2.92Å; V309-F311 VanDerWaalsContact C-N 3.27Å; V309-F311 PolarHBondContact O-N 2.69Å; V309-S312 PolarHBondContact O-N 2.88Å; V309-S312 PolarHBondContact O-OG 2.92Å; V309-S312 VanDerWaalsContact O-OG 3.13Å |
| 310 | N | 72.3 | Confident | 67.4 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -70.3 | -25.6 | -179.1 | -61.7 | 3.9 | 0 | 0 | 0 | 112.3 | L306 K307 P308 S312 | L306-N310 HydrophobicContact CB-CB 4.32Å; K307-N310 VanDerWaalsContact O-CB 3.27Å; K307-N310 WeakPolarHBondContact O-CB 3.49Å; K307-N310 PolarHBondContact O-N 3.05Å; P308-N310 PolarHBondContact O-N 3.12Å; N310-S312 VanDerWaalsContact C-N 3.32Å |
| 311 | F | 72.5 | Confident | 68.1 | Low | 10 Ų | 10 | 94.5 Ų | 94.5 | 4% | 0.044 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -87.1 | 1.2 | 179.3 | -56 | -89.6 | 0 | 0 | 0 | 112.8 | Y231 C232 M235 L306 P308 V309 Q313 | Y231-F311 HydrophobicContact CE1-CE1 4.39Å; Y231-F311 HydrophobicContact CE1-CZ 4.06Å; C232-F311 HydrophobicContact CB-CD1 4.42Å; C232-F311 HydrophobicContact CB-CE1 4.48Å; M235-F311 HydrophobicContact CB-CB 4.13Å; M235-F311 HydrophobicContact CB-CD1 3.79Å; M235-F311 HydrophobicContact CB-CD2 4.01Å; M235-F311 HydrophobicContact CB-CE1 4.16Å; M235-F311 HydrophobicContact CB-CE2 4.36Å; M235-F311 HydrophobicContact CB-CG 3.71Å; M235-F311 HydrophobicContact CB-CZ 4.42Å; M235-F311 HydrophobicContact CE-CD2 3.97Å; M235-F311 HydrophobicContact CE-CE2 3.91Å; M235-F311 HydrophobicContact CG-CD2 4.48Å; M235-F311 HydrophobicContact CG-CE1 4.41Å; M235-F311 HydrophobicContact CG-CE2 4.37Å; M235-F311 HydrophobicContact CG-CZ 4.33Å; L306-F311 HydrophobicContact CB-CE2 3.78Å; L306-F311 HydrophobicContact CB-CZ 3.87Å; L306-F311 HydrophobicContact CD1-CE1 4.47Å; L306-F311 HydrophobicContact CD1-CZ 4.03Å; P308-F311 PolarHBondContact O-N 3.15Å; V309-F311 VanDerWaalsContact C-N 3.27Å; V309-F311 PolarHBondContact O-N 2.69Å; F311-Q313 VanDerWaalsContact C-N 3.31Å; F311-Q313 PolarHBondContact O-N 3.14Å |
| 312 | S | 64.6 | Low | 68.9 | Low | 94 Ų | 94 | 95.3 Ų | 95.3 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | trans | -86.3 | 7.1 | -177.1 | 87.9 | 0 | 0 | 0 | 0 | 114.6 | V309 N310 | V309-S312 PolarHBondContact O-N 2.88Å; V309-S312 PolarHBondContact O-OG 2.92Å; V309-S312 VanDerWaalsContact O-OG 3.13Å; N310-S312 VanDerWaalsContact C-N 3.32Å | ||
| 313 | Q | 62.4 | Low | 69.3 | Low | 153 Ų | 153 | 92.4 Ų | 92.4 | 72% | 0.715 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -101.3 | 139.4 | 172.7 | -64.8 | -161.7 | 15.6 | 0 | 0 | 110.1 | F311 F315 | F311-Q313 VanDerWaalsContact C-N 3.31Å; F311-Q313 PolarHBondContact O-N 3.14Å; Q313-F315 PolarHBondContact O-N 3.3Å |
| 314 | P | 54.8 | Low | 69.9 | Low | 126 Ų | 126 | 96 Ų | 96 | 82% | 0.818 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 126.5 | 177.6 | 27.8 | -33.9 | 0 | 0 | 0 | 110.3 | Q316 | P314-Q316 PolarHBondContact O-N 3.35Š|
| 315 | F | 62.6 | Low | 70.5 | Confident | 126 Ų | 126 | 94.3 Ų | 94.3 | 55% | 0.553 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 132.8 | 175.6 | -61.8 | -81.6 | 0 | 0 | 0 | 110.8 | C232 Q313 S317 | C232-F315 HydrophobicContact CB-CE1 4.23Å; C232-F315 HydrophobicContact CB-CE2 4.35Å; C232-F315 HydrophobicContact CB-CZ 3.71Å; Q313-F315 PolarHBondContact O-N 3.3Å; F315-S317 PolarHBondContact O-N 2.97Å |
| 316 | Q | 61.1 | Low | 70.8 | Confident | 139 Ų | 139 | 94.6 Ų | 94.6 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | trans | -74.8 | 107.6 | 175.8 | -177.2 | 173.8 | -10.6 | 0 | 0 | 109.6 | P314 Y318 | P314-Q316 PolarHBondContact O-N 3.35Å; Q316-Y318 HydrophobicContact CB-CE2 4.49Å; Q316-Y318 HydrophobicContact CG-CD2 4.3Å; Q316-Y318 HydrophobicContact CG-CE2 3.79Å; Q316-Y318 PolarHBondContact NE2-OH 3.09Å | ||
| 317 | S | 61.3 | Low | 70.8 | Confident | 85 Ų | 85 | 93.9 Ų | 93.9 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 122.5 | 177.2 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | F315 | F315-S317 PolarHBondContact O-N 2.97Š|
| 318 | Y | 66.8 | Low | 70.5 | Confident | 114 Ų | 114 | 94.1 Ų | 94.1 | 45% | 0.447 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 145.5 | 169.9 | -78.7 | -94.4 | 0 | 0 | 0 | 109.8 | E7 V9 Q316 | E7-Y318 HydrophobicContact CB-CD1 3.65Å; E7-Y318 HydrophobicContact CB-CE1 3.39Å; E7-Y318 HydrophobicContact CG-CE1 4.24Å; E7-Y318 WeakPolarHBondContact O-CD1 3.41Å; E7-Y318 WeakPolarHBondContact OE2-CE1 3.27Å; E7-Y318 VanDerWaalsContact OE2-CZ 3.27Å; E7-Y318 PolarHBondContact OE2-OH 3.34Å; V9-Y318 HydrophobicContact CG2-CD1 3.85Å; V9-Y318 HydrophobicContact CG2-CG 4.36Å; Q316-Y318 HydrophobicContact CB-CE2 4.49Å; Q316-Y318 HydrophobicContact CG-CD2 4.3Å; Q316-Y318 HydrophobicContact CG-CE2 3.79Å; Q316-Y318 PolarHBondContact NE2-OH 3.09Å |
| 319 | E | 68.6 | Low | 70 | Confident | 83 Ų | 83 | 99.1 Ų | 99.1 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.2 | 175.7 | -164.9 | -169.6 | 146.7 | 0 | 0 | 109.6 | E7 K8 V9 | E7-E319 PolarHBondContact O-N 3.4Å; E7-E319 VanDerWaalsContact O-N 3.13Å; K8-E319 CarbonylContact C-O 3.6Å; K8-E319 VanDerWaalsContact CA-O 3.24Å; K8-E319 WeakPolarHBondContact CA-O 3.37Å; K8-E319 HydrophobicContact CD-CB 4.46Å; K8-E319 HydrophobicContact CD-CG 4.49Å; K8-E319 WeakPolarHBondContact CD-OE2 3.49Å; K8-E319 WeakPolarHBondContact CE-OE2 3.49Å; K8-E319 HydrophobicContact CG-CB 4.19Å; K8-E319 IonicContact NZ-OE1 2.93Å; K8-E319 PolarHBondContact NZ-OE1 2.99Å; K8-E319 IonicContact NZ-OE2 2.63Å; K8-E319 PolarHBondContact NZ-OE2 3.41Å; V9-E319 PolarHBondContact N-O 3.18Å |
| 320 | L | 70.7 | Confident | 69 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 105.8 | -178.3 | -168.4 | 72.6 | 0 | 0 | 0 | 110.8 | V9 L11 L322 | V9-L320 HydrophobicContact CB-CD1 4.07Å; V9-L320 HydrophobicContact CG1-CD1 4Å; V9-L320 CarbonylContact O-C 3.56Å; V9-L320 WeakPolarHBondContact O-CA 3.45Å; L11-L320 HydrophobicContact CB-CD1 4.16Å; L320-L322 HydrophobicContact CD2-CD1 3.97Å; L320-L322 HydrophobicContact CD2-CD2 4.05Å; L320-L322 HydrophobicContact CD2-CG 3.8Å; L320-L322 HydrophobicContact CG-CD2 4.48Å; L320-L322 HydrophobicContact CG-CG 4.02Å; L320-L322 PolarHBondContact O-N 3.37Å |
| 321 | D | 77.6 | Confident | 67.7 | Low | 46 Ų | 46 | 98.5 Ų | 98.5 | 25% | 0.246 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 88.2 | 174.5 | 179 | 12.9 | 0 | 0 | 0 | 109 | V9 Q10 L11 K323 | V9-D321 PolarHBondContact O-N 3.21Å; Q10-D321 WeakPolarHBondContact CA-O 3.39Å; Q10-D321 HydrophobicContact CG-CB 3.68Å; Q10-D321 WeakPolarHBondContact CG-OD2 3.27Å; Q10-D321 PolarHBondContact NE2-OD2 3.28Å; L11-D321 PolarHBondContact N-O 3.14Å; D321-K323 WeakPolarHBondContact OD1-CE 3.28Å; D321-K323 VanDerWaalsContact OD2-CE 3.28Å; D321-K323 WeakPolarHBondContact OD2-CE 3.08Å; D321-K323 IonicContact OD2-NZ 3.17Å; D321-K323 PolarHBondContact OD2-NZ 2.78Å; D321-K323 VanDerWaalsContact OD2-NZ 3.09Å |
| 322 | L | 80.3 | Confident | 66.3 | Low | 95 Ų | 95 | 105.2 Ų | 105.2 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 113.9 | 179.7 | -82.4 | 165.6 | 0 | 0 | 0 | 111.6 | L11 I13 L320 | L11-L322 HydrophobicContact CB-CD2 4.18Å; L11-L322 HydrophobicContact CD2-CD2 3.8Å; L11-L322 HydrophobicContact CG-CD2 4.45Å; I13-L322 HydrophobicContact CD1-CD2 3.86Å; L320-L322 HydrophobicContact CD2-CD1 3.97Å; L320-L322 HydrophobicContact CD2-CD2 4.05Å; L320-L322 HydrophobicContact CD2-CG 3.8Å; L320-L322 HydrophobicContact CG-CD2 4.48Å; L320-L322 HydrophobicContact CG-CG 4.02Å; L320-L322 PolarHBondContact O-N 3.37Å |
| 323 | K | 81.9 | Confident | 65.1 | Low | 91 Ų | 91 | 105.8 Ų | 105.8 | 40% | 0.396 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 99.5 | 175.8 | -71.9 | 174 | -176.3 | 163.6 | 0 | 110.5 | L11 T12 I13 D321 | L11-K323 PolarHBondContact O-N 3.22Å; T12-K323 CarbonylContact C-O 3.58Å; T12-K323 VanDerWaalsContact CA-O 3.3Å; T12-K323 WeakPolarHBondContact CA-O 3.39Å; I13-K323 PolarHBondContact N-O 2.73Å; D321-K323 WeakPolarHBondContact OD1-CE 3.28Å; D321-K323 VanDerWaalsContact OD2-CE 3.28Å; D321-K323 WeakPolarHBondContact OD2-CE 3.08Å; D321-K323 IonicContact OD2-NZ 3.17Å; D321-K323 PolarHBondContact OD2-NZ 2.78Å; D321-K323 VanDerWaalsContact OD2-NZ 3.09Å |
| 324 | V | 82.2 | Confident | 64.1 | Low | 84 Ų | 84 | 103.5 Ų | 103.5 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 121.1 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | I13 E15 | I13-V324 CarbonylContact O-C 3.58Å; I13-V324 VanDerWaalsContact O-CA 3.31Å; I13-V324 WeakPolarHBondContact O-CA 3.43Å; E15-V324 HydrophobicContact CG-CG1 3.76Å |
| 325 | Q | 82.3 | Confident | 63.4 | Low | 90 Ų | 90 | 101.7 Ų | 101.7 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115 | 167.4 | -65.8 | -164.7 | 27.2 | 0 | 0 | 108.5 | T12 I13 Y14 E15 | T12-Q325 HydrophobicContact CG2-CG 3.91Å; I13-Q325 PolarHBondContact O-N 3.42Å; Y14-Q325 HydrophobicContact CD1-CB 3.91Å; Y14-Q325 HydrophobicContact CD1-CG 4.41Å; Y14-Q325 HydrophobicContact CE1-CB 4.24Å; Y14-Q325 VanDerWaalsContact CE1-CD 3.48Å; Y14-Q325 HydrophobicContact CE1-CG 4.28Å; E15-Q325 PolarHBondContact N-O 2.83Å |
| 326 | P | 79.4 | Confident | 62.2 | Low | 87 Ų | 87 | 98.8 Ų | 98.8 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | trans | -71.4 | 154.2 | -177 | 29.8 | -35.2 | 0 | 0 | 0 | 111.9 | E15 N328 | E15-P326 VanDerWaalsContact OE2-CA 3.32Å; E15-P326 WeakPolarHBondContact OE2-CA 3.45Å; P326-N328 PolarHBondContact O-N 3.35Å | ||
| 327 | I | 75.1 | Confident | 61.1 | Low | 23 Ų | 23 | 97.3 Ų | 97.3 | 12% | 0.118 | 51% | 0.513 | C | S | . | . | trans | -68.4 | 126.9 | 165.5 | -69.9 | 158.4 | 0 | 0 | 0 | 107.7 | E15 A16 V19 Q44 R329 | E15-I327 HydrophobicContact CB-CB 4.45Å; E15-I327 HydrophobicContact CB-CD1 3.91Å; E15-I327 HydrophobicContact CB-CG1 3.71Å; E15-I327 PolarHBondContact OE2-N 2.97Å; A16-I327 HydrophobicContact CB-CG1 4.17Å; V19-I327 HydrophobicContact CB-CD1 4.25Å; V19-I327 HydrophobicContact CG2-CD1 3.61Å; Q44-I327 HydrophobicContact CG-CD1 4.11Å; I327-R329 HydrophobicContact CG2-CG 4.47Å; I327-R329 PolarHBondContact O-N 2.92Å | ||
| 328 | N | 65.6 | Low | 60.2 | Low | 160 Ų | 160 | 97.5 Ų | 97.5 | 86% | 0.856 | 51% | 0.512 | S | S | * | . | trans | -65.5 | 86.9 | 162.4 | -78.1 | -21.8 | 0 | 0 | 0 | 108.6 | P326 | P326-N328 PolarHBondContact O-N 3.35Š| ||
| 329 | R | 56.4 | Low | 58.8 | Low | 178 Ų | 178 | 99 Ų | 99 | 67% | 0.672 | 52% | 0.524 | S | S | * | . | trans | -60.3 | 139.3 | 180 | -58.5 | -175.3 | -174.2 | -147.7 | -0.3 | 109.6 | I327 T331 | I327-R329 HydrophobicContact CG2-CG 4.47Å; I327-R329 PolarHBondContact O-N 2.92Å; R329-T331 PolarHBondContact O-N 2.99Å | ||
| 330 | P | 50.1 | Low | 57.5 | Low | 78 Ų | 78 | 101 Ų | 101 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | trans | -61.5 | 111.2 | 173 | 25.3 | -32.6 | 0 | 0 | 0 | 109.6 | L332 | P330-L332 PolarHBondContact O-N 3.34Š| ||
| 331 | T | 45.9 | Very low | 56 | Low | 110 Ų | 110 | 100.3 Ų | 100.3 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | trans | -73.1 | 109.6 | -178.2 | 43.1 | 0 | 0 | 0 | 0 | 110.4 | R329 E333 | R329-T331 PolarHBondContact O-N 2.99Å; T331-E333 PolarHBondContact O-N 3.24Å | ||
| 332 | L | 42.8 | Very low | 54.1 | Low | 151 Ų | 151 | 105.3 Ų | 105.3 | 79% | 0.791 | 56% | 0.555 | S | S | * | * | trans | -78.7 | 72.6 | -178.4 | -152.9 | 160.1 | 0 | 0 | 0 | 110.5 | P330 S334 | P330-L332 PolarHBondContact O-N 3.34Å; L332-S334 PolarHBondContact O-N 3.32Å | ||
| 333 | E | 38.6 | Very low | 52.3 | Low | 106 Ų | 106 | 105.1 Ų | 105.1 | 50% | 0.495 | 56% | 0.558 | S | S | . | * | trans | -71.3 | 89 | 179.3 | -69.1 | -169.7 | 101.8 | 0 | 0 | 111.3 | T331 S335 L336 | T331-E333 PolarHBondContact O-N 3.24Å; E333-S335 PolarHBondContact O-N 2.85Å; E333-L336 HydrophobicContact CB-CD1 4.04Å; E333-L336 PolarHBondContact O-N 2.96Å; E333-L336 WeakPolarHBondContact OE2-CD1 3.21Å | ||
| 334 | S | 41.8 | Very low | 50.1 | Low | 105 Ų | 105 | 108.4 Ų | 108.4 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -7.1 | -178.9 | 56.4 | 0 | 0 | 0 | 0 | 115.3 | L332 | L332-S334 PolarHBondContact O-N 3.32Š|
| 335 | S | 39.7 | Very low | 47.7 | Very low | 87 Ų | 87 | 110 Ų | 110 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -28.9 | 177.3 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | E333 | E333-S335 PolarHBondContact O-N 2.85Š|
| 336 | L | 38.6 | Very low | 45.3 | Very low | 66 Ų | 66 | 111.8 Ų | 111.8 | 35% | 0.346 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.2 | -20.6 | -168.7 | -75.3 | 166.8 | 0 | 0 | 0 | 114.5 | E333 E339 H340 | E333-L336 HydrophobicContact CB-CD1 4.04Å; E333-L336 PolarHBondContact O-N 2.96Å; E333-L336 WeakPolarHBondContact OE2-CD1 3.21Å; L336-E339 PolarHBondContact O-N 3Å; L336-H340 PolarHBondContact O-N 3.33Å; L336-H340 VanDerWaalsContact O-N 3.16Å |
| 337 | W | 38.4 | Very low | 43.1 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 41% | 0.405 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -55.7 | -45.5 | -174.4 | -86 | 64.2 | 0 | 0 | 0 | 114.6 | E339 I341 | W337-E339 VanDerWaalsContact C-N 3.34Å; W337-E339 PolarHBondContact O-N 3.43Å; W337-I341 HydrophobicContact CD2-CD1 4.43Å; W337-I341 HydrophobicContact CE3-CD1 3.7Å; W337-I341 HydrophobicContact CZ3-CD1 4.23Å; W337-I341 WeakPolarHBondContact O-CD1 3.31Å; W337-I341 WeakPolarHBondContact O-CG1 3.39Å |
| 338 | P | 41 | Very low | 40.9 | Very low | 89 Ų | 89 | 120.8 Ų | 120.8 | 58% | 0.578 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.8 | -28.4 | -177 | -23 | 35.4 | 0 | 0 | 0 | 114.9 | ||
| 339 | E | 38.3 | Very low | 39.3 | Very low | 147 Ų | 147 | 118 Ų | 118 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -96.2 | -35.3 | -174.7 | -62.8 | -163.8 | 146.8 | 0 | 0 | 113.2 | L336 W337 T343 | L336-E339 PolarHBondContact O-N 3Å; W337-E339 VanDerWaalsContact C-N 3.34Å; W337-E339 PolarHBondContact O-N 3.43Å; E339-T343 WeakPolarHBondContact O-CG2 3.48Å; E339-T343 PolarHBondContact O-OG1 2.9Å; E339-T343 VanDerWaalsContact O-OG1 3.05Å |
| 340 | H | 40.5 | Very low | 38.4 | Very low | 124 Ų | 124 | 118 Ų | 118 | 57% | 0.574 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.3 | -34 | -179.8 | -88.5 | 82.9 | 0 | 0 | 0 | 113.5 | L336 L342 T343 | L336-H340 PolarHBondContact O-N 3.33Å; L336-H340 VanDerWaalsContact O-N 3.16Å; H340-L342 PolarHBondContact O-N 3.19Å; H340-T343 PolarHBondContact O-N 3.25Å; H340-T343 PolarHBondContact O-OG1 3.26Å; H340-T343 VanDerWaalsContact O-OG1 3.12Å |
| 341 | I | 40.1 | Very low | 37.6 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 42% | 0.421 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -29.2 | -179.3 | -71.4 | 175.3 | 0 | 0 | 0 | 112 | W337 H356 | W337-I341 HydrophobicContact CD2-CD1 4.43Å; W337-I341 HydrophobicContact CE3-CD1 3.7Å; W337-I341 HydrophobicContact CZ3-CD1 4.23Å; W337-I341 WeakPolarHBondContact O-CD1 3.31Å; W337-I341 WeakPolarHBondContact O-CG1 3.39Å; I341-H356 WeakPolarHBondContact CG2-NE2 3.44Å |
| 342 | L | 38 | Very low | 36.8 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 80% | 0.796 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -3.9 | -177 | -66.5 | 175.1 | 0 | 0 | 0 | 114.7 | H340 | H340-L342 PolarHBondContact O-N 3.19Š|
| 343 | T | 41.7 | Very low | 36.1 | Very low | 91 Ų | 91 | 118.8 Ų | 118.8 | 56% | 0.558 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -35.2 | -162.9 | 45.2 | 0 | 0 | 0 | 0 | 116.9 | E339 H340 | E339-T343 WeakPolarHBondContact O-CG2 3.48Å; E339-T343 PolarHBondContact O-OG1 2.9Å; E339-T343 VanDerWaalsContact O-OG1 3.05Å; H340-T343 PolarHBondContact O-N 3.25Å; H340-T343 PolarHBondContact O-OG1 3.26Å; H340-T343 VanDerWaalsContact O-OG1 3.12Å |
| 344 | Q | 35.2 | Very low | 36.2 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | trans | -169.4 | 125 | 173.2 | -116.6 | 140.4 | 97.8 | 0 | 0 | 115.1 | T346 | Q344-T346 PolarHBondContact O-N 2.83Š| ||
| 345 | P | 31.4 | Very low | 35.9 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -94.6 | 74.8 | 175.6 | 36.1 | -32.9 | 0 | 0 | 0 | 112.3 | ||
| 346 | T | 32.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 65% | 0.646 | S | S | * | * | trans | -164.9 | 59.2 | 173.3 | -5.6 | 0 | 0 | 0 | 0 | 115.7 | Q344 | Q344-T346 PolarHBondContact O-N 2.83Š| ||
| 347 | V | 33 | Very low | 34.9 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -131.6 | 120.1 | 177 | -166.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 348 | K | 29.9 | Very low | 34.3 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | trans | -18.9 | 152.8 | 170.5 | -61.8 | 171.4 | -177.9 | 175 | 0 | 120.4 | L350 | K348-L350 VanDerWaalsContact C-N 3.33Å; K348-L350 PolarHBondContact O-N 3.19Å | ||
| 349 | P | 31.4 | Very low | 33.7 | Very low | 103 Ų | 103 | 132 Ų | 132 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 70.8 | -176.6 | 34.7 | -38.7 | 0 | 0 | 0 | 114.2 | ||
| 350 | L | 38.5 | Very low | 33.3 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 93% | 0.932 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | 4.8 | 154.9 | -74.9 | 178.2 | 0 | 0 | 0 | 111.9 | K348 | K348-L350 VanDerWaalsContact C-N 3.33Å; K348-L350 PolarHBondContact O-N 3.19Å |
| 351 | V | 31.9 | Very low | 32.8 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -134.8 | 126.3 | 175.8 | -180 | 0 | 0 | 0 | 0 | 105.8 | P353 | V351-P353 VanDerWaalsContact O-CD 3.3Å; V351-P353 WeakPolarHBondContact O-CD 3.42Å |
| 352 | F | 30.6 | Very low | 32.4 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | trans | -82 | 117.8 | -173.3 | -158.5 | -79.3 | 0 | 0 | 0 | 110.8 | ||||
| 353 | P | 28.6 | Very low | 32 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 46% | 0.455 | 72% | 0.721 | S | S | . | * | trans | -94.9 | 169.5 | 173.6 | 32.3 | -19.7 | 0 | 0 | 0 | 111.5 | V351 | V351-P353 VanDerWaalsContact O-CD 3.3Å; V351-P353 WeakPolarHBondContact O-CD 3.42Å | ||
| 354 | Y | 39.4 | Very low | 31.3 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | trans | 69.2 | 83.6 | 171.5 | -49.1 | -74.2 | 0 | 0 | 0 | 117.9 | ||||
| 355 | T | 34.9 | Very low | 30.9 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 64% | 0.638 | 73% | 0.731 | S | S | * | * | -126 | 64.3 | 119.9 | 45.5 | 0 | 0 | 0 | 0 | 109 | I357 | T355-I357 PolarHBondContact O-N 3.25Š| |||
| 356 | H | 30.6 | Very low | 30.7 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 58% | 0.579 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122.9 | 167 | -145.3 | -69.9 | 0 | 0 | 0 | 106.9 | I341 P358 | I341-H356 WeakPolarHBondContact CG2-NE2 3.44Å; H356-P358 VanDerWaalsContact O-CD 3.26Å; H356-P358 WeakPolarHBondContact O-CD 3.37Å |
| 357 | I | 27.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 116.3 | 171.3 | -59.6 | 172.6 | 0 | 0 | 0 | 107.2 | T355 | T355-I357 PolarHBondContact O-N 3.25Š|
| 358 | P | 26.5 | Very low | 30.3 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 118.5 | 165.5 | 8.8 | 13.3 | 0 | 0 | 0 | 107.9 | H356 S360 | H356-P358 VanDerWaalsContact O-CD 3.26Å; H356-P358 WeakPolarHBondContact O-CD 3.37Å; P358-S360 PolarHBondContact O-N 3.46Å |
| 359 | E | 27 | Very low | 30.1 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -66.4 | 96.5 | 168.7 | -67.4 | -177.7 | 149.6 | 0 | 0 | 108.9 | N361 | E359-N361 PolarHBondContact O-N 2.96Š| ||
| 360 | S | 30.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -77.5 | 50 | -178.3 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | P358 | P358-S360 PolarHBondContact O-N 3.46Š| ||
| 361 | N | 30.4 | Very low | 29.1 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -73.4 | 136.5 | 158 | -99.8 | -36.7 | 0 | 0 | 0 | 108.8 | E359 I363 | E359-N361 PolarHBondContact O-N 2.96Å; N361-I363 PolarHBondContact O-N 3.47Å | ||
| 362 | T | 31.5 | Very low | 28.8 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | trans | -70.8 | 117.4 | -171 | 30.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 363 | I | 29.5 | Very low | 28.5 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | trans | 39 | 108.2 | 139.8 | -44.5 | 173.3 | 0 | 0 | 0 | 114.8 | N361 | N361-I363 PolarHBondContact O-N 3.47Š| ||
| 364 | M | 27.7 | Very low | 28.3 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | -175.5 | 122.6 | 79.9 | -163.4 | 167.1 | -70.5 | 0 | 0 | 115.2 | |||||
| 365 | G | 26.7 | Very low | 27.7 | Very low | 61 Ų | 61 | 131.9 Ų | 131.9 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | 70.1 | 94.3 | 126.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 366 | S | 26.6 | Very low | 27.3 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | 71.7 | 161.7 | 146.1 | 91.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 367 | S | 28.8 | Very low | 27 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | -134 | 124.2 | 1.3 | -82.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 368 | I | 27.8 | Very low | 27.4 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | 65.4 | 96.1 | 97.1 | -66.1 | 178.9 | 0 | 0 | 0 | 115.2 | |||||
| 369 | Q | 26.5 | Very low | 27.3 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | trans | 78.8 | 136.3 | 131.9 | -74.4 | -172.3 | 14.6 | 0 | 0 | 123.8 | ||||
| 370 | R | 23.7 | Very low | 27.2 | Very low | 211 Ų | 211 | 129.6 Ų | 129.6 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 82.2 | 147.5 | 143 | -73.6 | 166 | -156.3 | -125.7 | 2.7 | 119.8 | ||||
| 371 | S | 25.3 | Very low | 27 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 71.8 | 112.1 | -179.4 | 56.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 372 | V | 24.2 | Very low | 26.7 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | 76.9 | 121.8 | 56.4 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 373 | L | 25.4 | Very low | 26.4 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 76.3 | 91.5 | 174.4 | -64.7 | 164.2 | 0 | 0 | 0 | 119 | ||||
| 374 | S | 24.5 | Very low | 26.2 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | 83.6 | 165.4 | 113.1 | 78.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 375 | I | 26.5 | Very low | 26.1 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | 84.7 | 98.7 | 159.3 | -62.4 | 163.6 | 0 | 0 | 0 | 118.3 | ||||
| 376 | H | 25.7 | Very low | 26 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | 47.7 | 108.5 | 128.9 | -59.3 | 100.7 | 0 | 0 | 0 | 122.1 | |||||
| 377 | S | 25.6 | Very low | 26 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | 30.5 | 156 | 105.2 | 68.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 378 | P | 34.1 | Very low | 26 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | cis | -144.7 | 180 | -20.8 | 37.2 | -16.6 | 0 | 0 | 0 | 116.6 | ||||
| 379 | A | 25.9 | Very low | 26 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | 60.1 | 124.8 | 141 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 380 | L | 25.3 | Very low | 26 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | 175.2 | 155.5 | 124.9 | -111.6 | 84.9 | 0 | 0 | 0 | 107.7 | |||||
| 381 | K | 25 | Very low | 26.2 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | cis | -167.9 | 135.7 | -30.6 | -125.1 | -178.3 | -162.9 | 164.5 | 0 | 107.4 | ||||
| 382 | R | 23.7 | Very low | 26.2 | Very low | 246 Ų | 246 | 133.4 Ų | 133.4 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | trans | 50.5 | 108.3 | 156.1 | -65.9 | 179.7 | 171.1 | 178.1 | -5.2 | 119.4 | ||||
| 383 | G | 26.8 | Very low | 26.4 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | -135.2 | 125.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 384 | H | 23.9 | Very low | 26.4 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | -83.2 | 135.8 | 171.5 | -105.8 | -71.6 | 0 | 0 | 0 | 109.1 | ||||
| 385 | L | 26.4 | Very low | 26.6 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -165.3 | 169.4 | 141.7 | -103.9 | 162.9 | 0 | 0 | 0 | 108.8 | ||||
| 386 | Q | 24.6 | Very low | 26.6 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -144 | 107 | -146 | -178.6 | 173.3 | -28.4 | 0 | 0 | 114.9 | ||||
| 387 | G | 26.3 | Very low | 26.8 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 69.9 | -177.4 | 167 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 388 | P | 29.7 | Very low | 27 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | cis | -127.4 | -164.1 | -12.3 | 41.6 | -25.8 | 0 | 0 | 0 | 112.7 | ||||
| 389 | S | 26.8 | Very low | 26.8 | Very low | 70 Ų | 70 | 132 Ų | 132 | 49% | 0.49 | 74% | 0.742 | S | S | . | * | trans | 60.9 | 115.9 | 157.8 | -58.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 390 | G | 27.7 | Very low | 26.9 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 88% | 0.876 | 74% | 0.735 | S | S | * | * | trans | -124.5 | 76.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 391 | E | 26 | Very low | 26.9 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | -100 | 111 | 174.2 | -66.1 | -179.8 | 121.2 | 0 | 0 | 108.6 | ||||
| 392 | L | 27.3 | Very low | 27 | Very low | 177 Ų | 177 | 131.1 Ų | 131.1 | 93% | 0.927 | 73% | 0.734 | S | S | * | * | trans | 176.4 | 61.6 | 162.8 | -101.6 | 163.9 | 0 | 0 | 0 | 110.9 | ||||
| 393 | M | 26.8 | Very low | 27.2 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | trans | -155.2 | 39.6 | 167.8 | -150.5 | -165.5 | -67.7 | 0 | 0 | 113.8 | P984 | M393-P984 HydrophobicContact SD-CG 4.02Š| ||
| 394 | R | 27 | Very low | 27.1 | Very low | 207 Ų | 207 | 128.2 Ų | 128.2 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | -98 | -10 | -179.9 | -101.4 | -177.3 | 174 | -178.2 | -3.3 | 115.1 | D109 | D109-R394 IonicContact OD2-CZ 3.6Å; D109-R394 IonicContact OD2-NH1 2.72Å; D109-R394 PolarHBondContact OD2-NH1 3.03Å | ||
| 395 | S | 27.1 | Very low | 27.2 | Very low | 97 Ų | 97 | 125.3 Ų | 125.3 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -93.6 | -2.4 | -171.1 | 48.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 396 | L | 27.6 | Very low | 27.2 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -128 | 54.9 | -174.7 | -72.7 | 172.9 | 0 | 0 | 0 | 113 | ||||
| 397 | I | 29.1 | Very low | 27.4 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 48% | 0.482 | 72% | 0.723 | S | S | . | * | S | Bend | trans | -127.9 | 135.9 | 163.4 | -59 | 179.6 | 0 | 0 | 0 | 106.8 | A399 | I397-A399 PolarHBondContact O-N 2.81Š|
| 398 | P | 30.5 | Very low | 27.4 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | trans | -57.6 | 125.8 | 178.6 | -24.4 | 34.3 | 0 | 0 | 0 | 111.4 | Y400 | P398-Y400 PolarHBondContact O-N 2.98Š| ||
| 399 | A | 28.6 | Very low | 27.2 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 57% | 0.57 | 74% | 0.737 | S | S | * | * | trans | -60.4 | 111.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I33 I397 | I33-A399 HydrophobicContact CD1-CB 4.36Å; I397-A399 PolarHBondContact O-N 2.81Å | ||
| 400 | Y | 28.4 | Very low | 27.2 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 55% | 0.553 | 76% | 0.759 | S | S | * | * | trans | -106.7 | 22.5 | -177.5 | -136.6 | -97.6 | 0 | 0 | 0 | 112.4 | P398 R1028 | P398-Y400 PolarHBondContact O-N 2.98Å; Y400-R1028 WeakPolarHBondContact CE1-O 3.17Å | ||
| 401 | E | 25.7 | Very low | 27.2 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -131.3 | 119.6 | 177 | -60.7 | -175.7 | 157.8 | 0 | 0 | 106.9 | ||||
| 402 | G | 26.7 | Very low | 27.3 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | 148.5 | 2.6 | -180 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 403 | L | 27.5 | Very low | 27.4 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -116.1 | 53.9 | 176.7 | -71.3 | 177.2 | 0 | 0 | 0 | 112.8 | ||||
| 404 | S | 25.8 | Very low | 27.5 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -134.9 | 20.6 | -178.1 | 55 | 0 | 0 | 0 | 0 | 114.9 | ||
| 405 | S | 26.2 | Very low | 27.6 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -164.3 | 126.4 | 162.4 | -80 | 0 | 0 | 0 | 0 | 109.7 | ||
| 406 | G | 26.7 | Very low | 27.7 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 171.1 | -33.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 407 | L | 27.6 | Very low | 27.7 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -103.1 | 156.8 | 168.1 | -75.2 | 95.6 | 0 | 0 | 0 | 110.9 | ||
| 408 | L | 26.2 | Very low | 27.8 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 68 | 61 | -177.5 | -53.2 | -179.6 | 0 | 0 | 0 | 116.1 | ||
| 409 | R | 26.1 | Very low | 27.7 | Very low | 218 Ų | 218 | 138.7 Ų | 138.7 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | trans | -153.9 | 72.4 | 147.2 | -123.4 | 177.5 | -165.1 | -178.1 | 5.8 | 114.2 | N411 | R409-N411 PolarHBondContact O-N 3.22Š| ||
| 410 | M | 26.3 | Very low | 27.9 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 96% | 0.956 | 79% | 0.79 | S | S | * | * | trans | -72.8 | 104.5 | 157.1 | -72.8 | -66 | -171.8 | 0 | 0 | 108.3 | ||||
| 411 | N | 27.4 | Very low | 27.9 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 139.4 | 167.5 | -83.8 | -2.2 | 0 | 0 | 0 | 109.3 | R409 | R409-N411 PolarHBondContact O-N 3.22Š|
| 412 | P | 29.6 | Very low | 28.1 | Very low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 160.2 | 179.1 | 30.8 | -36 | 0 | 0 | 0 | 112.3 | S414 | P412-S414 PolarHBondContact O-N 3Š|
| 413 | P | 28.2 | Very low | 28.2 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 121.3 | -178.2 | 28 | -34.9 | 0 | 0 | 0 | 112.1 | ||
| 414 | S | 29.6 | Very low | 28.3 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -86.2 | 109.5 | 171.7 | 55.6 | 0 | 0 | 0 | 0 | 111 | P412 | P412-S414 PolarHBondContact O-N 3Š| ||
| 415 | L | 29.4 | Very low | 28.5 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 156.1 | 164.2 | -83.3 | 155.3 | 0 | 0 | 0 | 110.8 | ||||
| 416 | Q | 28.9 | Very low | 28.6 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -83.8 | 150.1 | -169.9 | -61 | 159.2 | -86.9 | 0 | 0 | 112.9 | ||||
| 417 | N | 28.3 | Very low | 28.8 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 57.2 | 158.4 | 142.5 | -74.4 | 37.9 | 0 | 0 | 0 | 119.9 | ||||
| 418 | D | 30.1 | Very low | 28.9 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | cis | -141.3 | 178.8 | 15.5 | -125.5 | -42.3 | 0 | 0 | 0 | 114.2 | ||||
| 419 | Q | 29.2 | Very low | 29.2 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -84.7 | 167.1 | 179 | -58.5 | 178.1 | -5.4 | 0 | 0 | 113.9 | ||||
| 420 | I | 31.3 | Very low | 29.2 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -160.9 | 155.3 | 137.3 | -106.1 | 156.3 | 0 | 0 | 0 | 111 | ||||
| 421 | N | 28.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -86.9 | 164.7 | -159.7 | -60.6 | -43.5 | 0 | 0 | 0 | 116.5 | ||||
| 422 | G | 31.4 | Very low | 29.5 | Very low | 80 Ų | 80 | 140 Ų | 140 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -147.1 | 126.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 423 | E | 28 | Very low | 29.3 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -93.6 | -176.1 | -167.6 | -59.8 | 176.6 | 110.5 | 0 | 0 | 114.4 | ||||
| 424 | Y | 29.7 | Very low | 29.3 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | 80.9 | 137.4 | 161.8 | -47.5 | -63.2 | 0 | 0 | 0 | 118.2 | ||||
| 425 | D | 29.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | cis | -158 | 155 | -19.5 | -127.7 | 10.8 | 0 | 0 | 0 | 113.8 | ||||
| 426 | I | 29.3 | Very low | 29.1 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | trans | -0.4 | 130.4 | 154.4 | -34.3 | 157.6 | 0 | 0 | 0 | 117.8 | ||||
| 427 | N | 29.7 | Very low | 29 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | 168.5 | 109.1 | 113.4 | -89.8 | -69 | 0 | 0 | 0 | 117.2 | |||||
| 428 | H | 30.4 | Very low | 28.9 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | 60.9 | 139.7 | 128.6 | -80.5 | -47.4 | 0 | 0 | 0 | 126.3 | |||||
| 429 | H | 31.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | 92.7 | 93.8 | 142.4 | -78.1 | -54.6 | 0 | 0 | 0 | 122.9 | ||||
| 430 | N | 28.1 | Very low | 28.6 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -18.2 | 138.9 | 142.5 | -55.1 | -15.7 | 0 | 0 | 0 | 117.2 | ||||
| 431 | G | 30.5 | Very low | 28.4 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -162.2 | 97.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 432 | L | 27.8 | Very low | 28.2 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -68.4 | 146.1 | -171.7 | -85.6 | 154.2 | 0 | 0 | 0 | 116.2 | ||||
| 433 | N | 26.9 | Very low | 28.1 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 88.4 | 138.8 | 136.8 | -92.6 | -23.2 | 0 | 0 | 0 | 124.1 | ||||
| 434 | T | 28.3 | Very low | 28.2 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | 63.8 | 128.4 | 152.8 | 54.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 435 | G | 27.2 | Very low | 28 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | 137.1 | 88 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 436 | L | 26.4 | Very low | 28.2 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 36.9 | 96.4 | 132.8 | -64.4 | 167.6 | 0 | 0 | 0 | 119.8 | ||||
| 437 | R | 26.8 | Very low | 28 | Very low | 226 Ų | 226 | 141.7 Ų | 141.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | 161.8 | 149.4 | 108.4 | -89.5 | 173.7 | 179.5 | -161.6 | -1 | 113.4 | |||||
| 438 | P | 25.7 | Very low | 27.9 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -82.3 | 140.6 | 166.3 | 34.2 | -32.6 | 0 | 0 | 0 | 111.3 | ||||
| 439 | I | 29 | Very low | 27.7 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -134.5 | 116.6 | 163.6 | -64.3 | -176.2 | 0 | 0 | 0 | 109.2 | ||||
| 440 | I | 24.7 | Very low | 27.5 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -74 | 127.9 | 170.2 | -61.2 | 157.6 | 0 | 0 | 0 | 108.8 | ||||
| 441 | R | 27.7 | Very low | 27.4 | Very low | 238 Ų | 238 | 149.3 Ų | 149.3 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -143.1 | 145.7 | 148.7 | -74.3 | -156.2 | 171.5 | -176.4 | -2.1 | 111.3 | ||||
| 442 | S | 24.8 | Very low | 27.3 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -110.1 | -172.1 | -172 | 53.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 443 | S | 29.1 | Very low | 27.4 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | 83 | 134 | -173.8 | 76.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 444 | G | 28.9 | Very low | 27.3 | Very low | 78 Ų | 78 | 151 Ų | 151 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | -159.7 | 168.5 | 0.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 445 | L | 27.2 | Very low | 27.2 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -66.6 | 177.3 | 177.1 | -75.5 | 160.1 | 0 | 0 | 0 | 113.7 | ||||
| 446 | P | 32.9 | Very low | 27.2 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | cis | -134.5 | 165.9 | -0.8 | 19.1 | 6.6 | 0 | 0 | 0 | 117.6 | ||||
| 447 | N | 25.1 | Very low | 27.3 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 39 | 118.7 | 140.9 | -54.6 | -10.1 | 0 | 0 | 0 | 122 | ||||
| 448 | L | 28 | Very low | 27.2 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | -165.8 | 126.5 | 115.2 | -107.7 | 161.4 | 0 | 0 | 0 | 113.8 | |||||
| 449 | S | 25.3 | Very low | 27.4 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -0.6 | 125.1 | 162.3 | -174.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 450 | R | 28.2 | Very low | 27.3 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | -163.4 | 164.6 | 117.9 | -109 | 172.2 | -174.3 | -149.6 | -0.8 | 114.6 | |||||
| 451 | R | 26 | Very low | 27.5 | Very low | 246 Ų | 246 | 145.1 Ų | 145.1 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 146.6 | -166.3 | -62.4 | 170.8 | 170.3 | 179.8 | -8.6 | 114.7 | ||||
| 452 | G | 27.9 | Very low | 27.4 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -131.3 | 151 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 453 | P | 28.7 | Very low | 27.5 | Very low | 131 Ų | 131 | 142 Ų | 142 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -81 | 150.3 | -161.5 | 31.1 | -36 | 0 | 0 | 0 | 114.9 | ||||
| 454 | R | 25.2 | Very low | 27.4 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | -77.8 | 146.7 | 164.3 | -71.5 | 174.6 | 169.8 | 163.7 | -6.1 | 110 | ||||
| 455 | L | 27.1 | Very low | 27.3 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -118.4 | 100.5 | 164.3 | -94.5 | 161.7 | 0 | 0 | 0 | 108 | ||||
| 456 | M | 26.9 | Very low | 27.5 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 64% | 0.64 | 78% | 0.775 | S | S | * | * | trans | -86.9 | 123.4 | 176.4 | -87.3 | -176.9 | 153.7 | 0 | 0 | 110.9 | H458 | M456-H458 PolarHBondContact O-N 3.06Š| ||
| 457 | T | 28.3 | Very low | 27.5 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 50% | 0.503 | 78% | 0.781 | S | S | . | * | trans | -87.2 | 88.8 | 177.6 | 40.4 | 0 | 0 | 0 | 0 | 110.4 | S459 | T457-S459 PolarHBondContact O-N 3.17Å; T457-S459 VanDerWaalsContact O-N 3.14Å | ||
| 458 | H | 25.2 | Very low | 27.6 | Very low | 157 Ų | 157 | 148 Ų | 148 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -56.3 | 122 | 173.2 | -73.6 | -101.5 | 0 | 0 | 0 | 110.6 | M456 | M456-H458 PolarHBondContact O-N 3.06Š| ||
| 459 | S | 28.6 | Very low | 27.7 | Very low | 80 Ų | 80 | 145.6 Ų | 145.6 | 56% | 0.559 | 77% | 0.774 | S | S | * | * | trans | -124.3 | 108.9 | 168.5 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | T457 S461 | T457-S459 PolarHBondContact O-N 3.17Å; T457-S459 VanDerWaalsContact O-N 3.14Å; S459-S461 VanDerWaalsContact C-N 3.33Å; S459-S461 PolarHBondContact O-N 3.44Å | ||
| 460 | L | 26.9 | Very low | 27.8 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 93% | 0.927 | 77% | 0.772 | S | S | * | * | trans | -76.4 | 82.5 | -176.1 | -81.6 | 163.5 | 0 | 0 | 0 | 110.7 | ||||
| 461 | S | 29.2 | Very low | 27.9 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -86.8 | 121.7 | 159.2 | 50.1 | 0 | 0 | 0 | 0 | 109 | S459 | S459-S461 VanDerWaalsContact C-N 3.33Å; S459-S461 PolarHBondContact O-N 3.44Å | ||
| 462 | G | 26.4 | Very low | 27.8 | Very low | 63 Ų | 63 | 140.2 Ų | 140.2 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -78.4 | 156.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 463 | F | 27.2 | Very low | 27.8 | Very low | 216 Ų | 216 | 145.7 Ų | 145.7 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | trans | 57 | 86.9 | 166.7 | -62.7 | -77.7 | 0 | 0 | 0 | 117 | ||||
| 464 | R | 27.2 | Very low | 27.7 | Very low | 204 Ų | 204 | 146.1 Ų | 146.1 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -111.7 | 118.3 | 160.2 | -148.8 | 179.4 | -162.4 | -174 | 5.5 | 109 | ||||
| 465 | L | 26.9 | Very low | 27.8 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 143.6 | 171.6 | -75.1 | 163.4 | 0 | 0 | 0 | 110.2 | ||
| 466 | P | 31.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 144 | 175.5 | 29.4 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 467 | P | 32.7 | Very low | 27.8 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 137.3 | 176.1 | 30.8 | -33.7 | 0 | 0 | 0 | 111.9 | P469 | P467-P469 WeakPolarHBondContact O-CD 3.28Š|
| 468 | N | 27.5 | Very low | 27.9 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 118.6 | -177.3 | -177.5 | -10.7 | 0 | 0 | 0 | 112.4 | N470 | N468-N470 PolarHBondContact O-N 3.34Å; N468-N470 PolarHBondContact OD1-ND2 3.4Å |
| 469 | P | 28.4 | Very low | 28.1 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -86.1 | 66.7 | -173 | 35.9 | -36.8 | 0 | 0 | 0 | 113 | P467 | P467-P469 WeakPolarHBondContact O-CD 3.28Š| ||
| 470 | N | 27.5 | Very low | 28.2 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -136.4 | 87.1 | 176 | -90.8 | -72.6 | 0 | 0 | 0 | 112.9 | N468 | N468-N470 PolarHBondContact O-N 3.34Å; N468-N470 PolarHBondContact OD1-ND2 3.4Å | ||
| 471 | L | 31.3 | Very low | 28.4 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | -178.3 | 84.6 | 153.2 | -103.5 | 160.3 | 0 | 0 | 0 | 111.1 | ||||
| 472 | Q | 23.9 | Very low | 28.5 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -90.9 | 131.5 | 163.4 | -67.3 | -175.2 | 7.6 | 0 | 0 | 109.9 | ||||
| 473 | F | 27 | Very low | 28.7 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -161.1 | 110.1 | 153.8 | -107 | -71.2 | 0 | 0 | 0 | 112.5 | ||||
| 474 | L | 26.9 | Very low | 28.8 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | 51.8 | 147.2 | 148.6 | -90.2 | 56.4 | 0 | 0 | 0 | 120.4 | ||||
| 475 | N | 28.6 | Very low | 29 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | cis | -152 | 169.6 | 11.8 | -144.4 | -21.6 | 0 | 0 | 0 | 113.4 | ||||
| 476 | Q | 25.8 | Very low | 29.1 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -95.6 | 159.9 | -168.6 | -59.2 | 173.2 | -16.4 | 0 | 0 | 115.8 | ||||
| 477 | K | 27.9 | Very low | 29 | Very low | 202 Ų | 202 | 137.1 Ų | 137.1 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | 177 | 145.3 | 137.4 | -98.1 | 161.4 | -176.8 | 179 | 0 | 111.3 | ||||
| 478 | S | 28.8 | Very low | 28.8 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | cis | 179.4 | 149.9 | -38.5 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 479 | N | 30.8 | Very low | 29 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 83 | 150.9 | 163.8 | -52.5 | -12.3 | 0 | 0 | 0 | 118.7 | ||||
| 480 | S | 30.5 | Very low | 29.1 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | cis | 173.9 | 127.6 | -32 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 481 | N | 31.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 138 Ų | 138 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | 160.3 | 138.2 | 95.4 | -88.4 | -31.4 | 0 | 0 | 0 | 110.6 | |||||
| 482 | Q | 31.4 | Very low | 29.3 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | 67.2 | 150.5 | 107 | -57 | 169.7 | -25.2 | 0 | 0 | 117.7 | |||||
| 483 | T | 29.4 | Very low | 29.7 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | cis | -178.5 | 166.9 | -12.6 | 29.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 484 | V | 28.7 | Very low | 29.9 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | cis | -176.2 | 157.4 | -27.3 | 137.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 485 | A | 31.4 | Very low | 30 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | trans | 70.2 | 161.4 | 167 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 486 | S | 29.1 | Very low | 30.2 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | cis | 178.5 | 166.3 | -13.7 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 487 | T | 29 | Very low | 30.3 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | cis | -177.6 | 164 | -11 | 30.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 488 | N | 29.5 | Very low | 30.4 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | 72 | 153.6 | 155.9 | -68.1 | 9.2 | 0 | 0 | 0 | 120.6 | ||||
| 489 | S | 30.7 | Very low | 30.4 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | cis | -177.7 | 156.3 | -11.5 | 52.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 490 | Q | 31.4 | Very low | 30.3 | Very low | 167 Ų | 167 | 129 Ų | 129 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | 70.7 | 163.4 | 158.3 | -66.4 | -159.6 | -98.3 | 0 | 0 | 119.5 | ||||
| 491 | D | 32.4 | Very low | 30.2 | Very low | 116 Ų | 116 | 133 Ų | 133 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | cis | -172.6 | 175.1 | -9 | -112 | 45.4 | 0 | 0 | 0 | 109.9 | ||||
| 492 | N | 31.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -171.7 | 174.8 | -27.4 | -136 | -34.5 | 0 | 0 | 0 | 113.5 | ||||
| 493 | N | 32.6 | Very low | 29.7 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 66.3 | 155.4 | 157.2 | -63 | -10.8 | 0 | 0 | 0 | 123.1 | ||||
| 494 | T | 30.4 | Very low | 29.6 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -174.7 | 149.8 | -31.5 | 39.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 495 | M | 29.1 | Very low | 29.7 | Very low | 185 Ų | 185 | 129 Ų | 129 | 91% | 0.911 | 73% | 0.731 | S | S | * | * | trans | 68.6 | 154 | 155.7 | -76.8 | -173.7 | 158 | 0 | 0 | 121.3 | ||||
| 496 | S | 31.8 | Very low | 29.7 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 59% | 0.594 | 73% | 0.728 | S | S | * | * | cis | -176.7 | 144.2 | -17.3 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 497 | E | 29.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | 63.5 | 156.4 | 147.8 | -72.4 | -173.5 | -142.8 | 0 | 0 | 121.1 | ||||
| 498 | N | 29.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | cis | -161 | 175.8 | -8.8 | -128.2 | -39.6 | 0 | 0 | 0 | 112.8 | ||||
| 499 | E | 28.8 | Very low | 29.9 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | 63.3 | 130.7 | 167.4 | -63.4 | -178.4 | 157.4 | 0 | 0 | 119 | ||||
| 500 | V | 28.9 | Very low | 29.9 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | cis | 110.6 | 140.9 | 12.8 | 178.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 501 | Q | 27.2 | Very low | 29.7 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 86.8 | 141.2 | 178.7 | -57.4 | -152.9 | 28 | 0 | 0 | 117.9 | ||||
| 502 | N | 26.1 | Very low | 29.4 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | cis | -169.5 | 166.4 | -22.1 | -134.1 | -21.1 | 0 | 0 | 0 | 113.7 | ||||
| 503 | I | 27.5 | Very low | 29.4 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | 73.5 | 128.5 | 146.5 | -69.6 | 160 | 0 | 0 | 0 | 122.8 | ||||
| 504 | S | 27.1 | Very low | 29.1 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 71.1 | 154.4 | 151.3 | 70.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 505 | A | 30 | Very low | 29.1 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | cis | -170.2 | -172.3 | -23.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 506 | D | 31.6 | Very low | 29 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 76.6 | 124.1 | 170.3 | -65.3 | -25.2 | 0 | 0 | 0 | 117.9 | ||||
| 507 | Q | 31.7 | Very low | 28.9 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 73% | 0.729 | 74% | 0.738 | S | S | * | * | 82.9 | 136.2 | 51.4 | -74.6 | -167.5 | 84.8 | 0 | 0 | 113.1 | |||||
| 508 | N | 29.9 | Very low | 29 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | cis | -161.2 | -171.4 | -0.7 | -140.6 | -42.3 | 0 | 0 | 0 | 111.8 | ||||
| 509 | T | 31.5 | Very low | 29.1 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | trans | 79 | 145.2 | 165.5 | 75.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 510 | T | 29.5 | Very low | 29.3 | Very low | 134 Ų | 134 | 119.6 Ų | 119.6 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | cis | -163.9 | 150.9 | -16.9 | 21.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 511 | G | 28.8 | Very low | 29.5 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | 171.6 | 83.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A513 | G511-A513 PolarHBondContact O-N 3.38Š| ||
| 512 | N | 25.7 | Very low | 29.8 | Very low | 158 Ų | 158 | 112 Ų | 112 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | trans | -67.6 | 120 | -170 | -63 | -4 | 0 | 0 | 0 | 114.6 | ||||
| 513 | A | 29.6 | Very low | 30.4 | Very low | 96 Ų | 96 | 109.4 Ų | 109.4 | 79% | 0.793 | 67% | 0.665 | S | S | * | * | trans | -152.7 | 27 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G511 | G511-A513 PolarHBondContact O-N 3.38Š| ||
| 514 | N | 27.8 | Very low | 31 | Very low | 126 Ų | 126 | 106.8 Ų | 106.8 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | trans | -138.8 | 117.9 | 179.6 | -83.8 | -50.3 | 0 | 0 | 0 | 109.7 | ||||
| 515 | L | 29.5 | Very low | 31.8 | Very low | 139 Ų | 139 | 106.2 Ų | 106.2 | 73% | 0.728 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -153.5 | -2.1 | 178.4 | -114.9 | 149.3 | 0 | 0 | 0 | 115.5 | T519 | L515-T519 PolarHBondContact O-OG1 3.01Å; L515-T519 VanDerWaalsContact O-OG1 3.08Å |
| 516 | E | 28 | Very low | 32.4 | Very low | 172 Ų | 172 | 104 Ų | 104 | 80% | 0.804 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -111.1 | -46.8 | 177.7 | -68.5 | 174 | 159.1 | 0 | 0 | 111.1 | A518 T519 | E516-A518 VanDerWaalsContact C-N 3.27Å; E516-A518 PolarHBondContact O-N 3.39Å; E516-T519 WeakPolarHBondContact O-CB 3.38Å; E516-T519 PolarHBondContact O-N 3.14Å; E516-T519 VanDerWaalsContact O-N 3.14Å |
| 517 | S | 30 | Very low | 33 | Very low | 74 Ų | 74 | 99.9 Ų | 99.9 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.9 | -30.4 | 173.2 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | T519 S521 | S517-T519 VanDerWaalsContact C-N 3.34Å; S517-S521 PolarHBondContact O-OG 3.35Å |
| 518 | A | 29.7 | Very low | 33.7 | Very low | 55 Ų | 55 | 93.9 Ų | 93.9 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.7 | -31.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E516 S522 | E516-A518 VanDerWaalsContact C-N 3.27Å; E516-A518 PolarHBondContact O-N 3.39Å; A518-S522 WeakPolarHBondContact O-CB 3.49Å; A518-S522 PolarHBondContact O-N 3.14Å; A518-S522 PolarHBondContact O-OG 3.41Å |
| 519 | T | 31.4 | Very low | 34.4 | Very low | 80 Ų | 80 | 91.8 Ų | 91.8 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.2 | -46.4 | -171.4 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | L515 E516 S517 S522 S523 | L515-T519 PolarHBondContact O-OG1 3.01Å; L515-T519 VanDerWaalsContact O-OG1 3.08Å; E516-T519 WeakPolarHBondContact O-CB 3.38Å; E516-T519 PolarHBondContact O-N 3.14Å; E516-T519 VanDerWaalsContact O-N 3.14Å; S517-T519 VanDerWaalsContact C-N 3.34Å; T519-S522 PolarHBondContact O-N 3.16Å; T519-S522 PolarHBondContact O-OG 2.68Å; T519-S523 PolarHBondContact O-N 3.36Å |
| 520 | I | 33.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 94 Ų | 94 | 61% | 0.605 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -45.3 | 178.3 | -57 | 175.5 | 0 | 0 | 0 | 110.7 | S522 S523 M524 | I520-S522 VanDerWaalsContact C-N 3.28Å; I520-S522 PolarHBondContact O-N 3.36Å; I520-S523 WeakPolarHBondContact O-CB 3.26Å; I520-S523 PolarHBondContact O-N 2.63Å; I520-S523 VanDerWaalsContact O-N 3.08Å; I520-M524 PolarHBondContact O-N 2.85Å |
| 521 | S | 33.2 | Very low | 35.9 | Very low | 72 Ų | 72 | 91 Ų | 91 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.1 | -39.5 | 174.1 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | S517 S523 M524 Q525 | S517-S521 PolarHBondContact O-OG 3.35Å; S521-S523 VanDerWaalsContact C-N 3.35Å; S521-M524 PolarHBondContact O-N 3.23Å; S521-Q525 WeakPolarHBondContact O-CB 3.5Å; S521-Q525 PolarHBondContact O-N 2.92Å |
| 522 | S | 34.4 | Very low | 36.7 | Very low | 70 Ų | 70 | 93.7 Ų | 93.7 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -31.2 | 176 | 78.7 | 0 | 0 | 0 | 0 | 113.3 | A518 T519 I520 A526 | A518-S522 WeakPolarHBondContact O-CB 3.49Å; A518-S522 PolarHBondContact O-N 3.14Å; A518-S522 PolarHBondContact O-OG 3.41Å; T519-S522 PolarHBondContact O-N 3.16Å; T519-S522 PolarHBondContact O-OG 2.68Å; I520-S522 VanDerWaalsContact C-N 3.28Å; I520-S522 PolarHBondContact O-N 3.36Å; S522-A526 WeakPolarHBondContact O-CB 3.38Å; S522-A526 PolarHBondContact O-N 2.89Å |
| 523 | S | 38.1 | Very low | 37.4 | Very low | 73 Ų | 73 | 90.4 Ų | 90.4 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.5 | -43.7 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | T519 I520 S521 A526 S527 | T519-S523 PolarHBondContact O-N 3.36Å; I520-S523 WeakPolarHBondContact O-CB 3.26Å; I520-S523 PolarHBondContact O-N 2.63Å; I520-S523 VanDerWaalsContact O-N 3.08Å; S521-S523 VanDerWaalsContact C-N 3.35Å; S523-A526 PolarHBondContact O-N 2.83Å; S523-S527 WeakPolarHBondContact O-CB 3.49Å; S523-S527 PolarHBondContact O-N 3.3Å; S523-S527 PolarHBondContact O-OG 2.98Å |
| 524 | M | 39.3 | Very low | 37.9 | Very low | 78 Ų | 78 | 92.4 Ų | 92.4 | 38% | 0.384 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 174.2 | -68.5 | -167 | -64.5 | 0 | 0 | 111.5 | I520 S521 A526 S527 V528 | I520-M524 PolarHBondContact O-N 2.85Å; S521-M524 PolarHBondContact O-N 3.23Å; M524-A526 PolarHBondContact O-N 3.05Å; M524-S527 WeakPolarHBondContact O-CA 3.4Å; M524-S527 WeakPolarHBondContact O-CB 3.48Å; M524-S527 PolarHBondContact O-N 3.43Å; M524-V528 WeakPolarHBondContact O-CG2 3.48Å; M524-V528 PolarHBondContact O-N 3.29Å |
| 525 | Q | 44 | Very low | 38.3 | Very low | 100 Ų | 100 | 91.9 Ų | 91.9 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.8 | -170.7 | 63 | 52.6 | 0 | 0 | 111.2 | S521 S527 V528 D529 | S521-Q525 WeakPolarHBondContact O-CB 3.5Å; S521-Q525 PolarHBondContact O-N 2.92Å; Q525-S527 PolarHBondContact O-N 3.31Å; Q525-V528 PolarHBondContact O-N 3Å; Q525-D529 PolarHBondContact NE2-OD1 2.86Å; Q525-D529 WeakPolarHBondContact O-CB 3.37Å; Q525-D529 PolarHBondContact O-N 3.01Å |
| 526 | A | 43.6 | Very low | 38.4 | Very low | 38 Ų | 38 | 88.4 Ų | 88.4 | 31% | 0.314 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -23.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S522 S523 M524 R530 | S522-A526 WeakPolarHBondContact O-CB 3.38Å; S522-A526 PolarHBondContact O-N 2.89Å; S523-A526 PolarHBondContact O-N 2.83Å; M524-A526 PolarHBondContact O-N 3.05Å; A526-R530 WeakPolarHBondContact O-CB 3.46Å; A526-R530 WeakPolarHBondContact O-CD 3.33Å; A526-R530 WeakPolarHBondContact O-CG 3.47Å; A526-R530 PolarHBondContact O-N 2.73Å; A526-R530 VanDerWaalsContact O-N 3.14Å |
| 527 | S | 43.4 | Very low | 38.5 | Very low | 44 Ų | 44 | 88.7 Ų | 88.7 | 31% | 0.308 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -83 | -37.7 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | S523 M524 Q525 R530 L531 | S523-S527 WeakPolarHBondContact O-CB 3.49Å; S523-S527 PolarHBondContact O-N 3.3Å; S523-S527 PolarHBondContact O-OG 2.98Å; M524-S527 WeakPolarHBondContact O-CA 3.4Å; M524-S527 WeakPolarHBondContact O-CB 3.48Å; M524-S527 PolarHBondContact O-N 3.43Å; Q525-S527 PolarHBondContact O-N 3.31Å; S527-R530 PolarHBondContact O-N 3.15Å; S527-L531 PolarHBondContact O-N 2.77Å |
| 528 | V | 45.6 | Very low | 38.3 | Very low | 29 Ų | 29 | 94.5 Ų | 94.5 | 18% | 0.176 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 169.4 | 171 | 0 | 0 | 0 | 0 | 110.7 | M524 Q525 R530 L531 F532 | M524-V528 WeakPolarHBondContact O-CG2 3.48Å; M524-V528 PolarHBondContact O-N 3.29Å; Q525-V528 PolarHBondContact O-N 3Å; V528-R530 VanDerWaalsContact C-N 3.32Å; V528-R530 PolarHBondContact O-N 2.86Å; V528-L531 WeakPolarHBondContact O-CB 3.35Å; V528-L531 PolarHBondContact O-N 2.99Å; V528-L531 VanDerWaalsContact O-N 3.14Å; V528-F532 HydrophobicContact CG1-CD2 3.67Å; V528-F532 HydrophobicContact CG1-CE2 3.51Å; V528-F532 VanDerWaalsContact O-CD2 3.31Å; V528-F532 WeakPolarHBondContact O-CD2 3.1Å; V528-F532 PolarHBondContact O-N 3.03Å |
| 529 | D | 45.7 | Very low | 38.2 | Very low | 81 Ų | 81 | 97 Ų | 97 | 43% | 0.433 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.3 | -33.5 | 176.8 | -64.4 | -13.2 | 0 | 0 | 0 | 111.8 | Q525 S533 | Q525-D529 PolarHBondContact NE2-OD1 2.86Å; Q525-D529 WeakPolarHBondContact O-CB 3.37Å; Q525-D529 PolarHBondContact O-N 3.01Å; D529-S533 VanDerWaalsContact O-CB 3.28Å; D529-S533 WeakPolarHBondContact O-CB 3.28Å; D529-S533 PolarHBondContact O-N 2.65Å; D529-S533 PolarHBondContact O-OG 3.28Å |
| 530 | R | 49.3 | Very low | 37.9 | Very low | 164 Ų | 164 | 98.5 Ų | 98.5 | 62% | 0.619 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.1 | -44.1 | 169.6 | -78.9 | 166.7 | -164.2 | 179.8 | 7.2 | 112 | A526 S527 V528 S533 L534 | A526-R530 WeakPolarHBondContact O-CB 3.46Å; A526-R530 WeakPolarHBondContact O-CD 3.33Å; A526-R530 WeakPolarHBondContact O-CG 3.47Å; A526-R530 PolarHBondContact O-N 2.73Å; A526-R530 VanDerWaalsContact O-N 3.14Å; S527-R530 PolarHBondContact O-N 3.15Å; V528-R530 VanDerWaalsContact C-N 3.32Å; V528-R530 PolarHBondContact O-N 2.86Å; R530-S533 WeakPolarHBondContact CA-OG 3.38Å; R530-S533 PolarHBondContact O-N 3.1Å; R530-S533 PolarHBondContact O-OG 3.43Å; R530-L534 WeakPolarHBondContact O-CB 3.42Å; R530-L534 WeakPolarHBondContact O-CG 3.47Å; R530-L534 PolarHBondContact O-N 3.16Å |
| 531 | L | 43.6 | Very low | 37.7 | Very low | 73 Ų | 73 | 99.9 Ų | 99.9 | 38% | 0.382 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.6 | -43.9 | 176.2 | -90.2 | 162.9 | 0 | 0 | 0 | 111.9 | S527 V528 H535 | S527-L531 PolarHBondContact O-N 2.77Å; V528-L531 WeakPolarHBondContact O-CB 3.35Å; V528-L531 PolarHBondContact O-N 2.99Å; V528-L531 VanDerWaalsContact O-N 3.14Å; L531-H535 PolarHBondContact O-N 3.27Å; L531-H535 PolarHBondContact O-ND1 2.79Å |
| 532 | F | 45.3 | Very low | 37.3 | Very low | 128 Ų | 128 | 101.4 Ų | 101.4 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.4 | -37.1 | 176.8 | -76.4 | -59.9 | 0 | 0 | 0 | 113.4 | V528 H535 | V528-F532 HydrophobicContact CG1-CD2 3.67Å; V528-F532 HydrophobicContact CG1-CE2 3.51Å; V528-F532 VanDerWaalsContact O-CD2 3.31Å; V528-F532 WeakPolarHBondContact O-CD2 3.1Å; V528-F532 PolarHBondContact O-N 3.03Å; F532-H535 PolarHBondContact O-N 2.91Å |
| 533 | S | 41 | Very low | 37.2 | Very low | 89 Ų | 89 | 104 Ų | 104 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.7 | -28.1 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | D529 R530 H535 | D529-S533 VanDerWaalsContact O-CB 3.28Å; D529-S533 WeakPolarHBondContact O-CB 3.28Å; D529-S533 PolarHBondContact O-N 2.65Å; D529-S533 PolarHBondContact O-OG 3.28Å; R530-S533 WeakPolarHBondContact CA-OG 3.38Å; R530-S533 PolarHBondContact O-N 3.1Å; R530-S533 PolarHBondContact O-OG 3.43Å; S533-H535 VanDerWaalsContact C-N 3.34Å |
| 534 | L | 39.1 | Very low | 36.6 | Very low | 137 Ų | 137 | 107.2 Ų | 107.2 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.6 | -29.8 | 171.5 | -80.5 | 164.6 | 0 | 0 | 0 | 113.1 | R530 G536 | R530-L534 WeakPolarHBondContact O-CB 3.42Å; R530-L534 WeakPolarHBondContact O-CG 3.47Å; R530-L534 PolarHBondContact O-N 3.16Å; L534-G536 PolarHBondContact O-N 2.98Å |
| 535 | H | 37.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 112 Ų | 112 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | -1.8 | -178.9 | -83.8 | 91.1 | 0 | 0 | 0 | 115.1 | E142 L531 F532 S533 Q537 | E142-H535 IonicContact OE1-NE2 2.58Å; L531-H535 PolarHBondContact O-N 3.27Å; L531-H535 PolarHBondContact O-ND1 2.79Å; F532-H535 PolarHBondContact O-N 2.91Å; S533-H535 VanDerWaalsContact C-N 3.34Å; H535-Q537 VanDerWaalsContact C-N 3.26Å; H535-Q537 PolarHBondContact O-N 2.99Å |
| 536 | G | 31.8 | Very low | 35.3 | Very low | 65 Ų | 65 | 114 Ų | 114 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | L534 | L534-G536 PolarHBondContact O-N 2.98Š|
| 537 | Q | 28.2 | Very low | 34.4 | Very low | 178 Ų | 178 | 117.1 Ų | 117.1 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | trans | -139.4 | 50.7 | -167.1 | -62.8 | -166.3 | 6.7 | 0 | 0 | 116.6 | H535 | H535-Q537 VanDerWaalsContact C-N 3.26Å; H535-Q537 PolarHBondContact O-N 2.99Å | ||
| 538 | M | 27.1 | Very low | 33.7 | Very low | 197 Ų | 197 | 120.3 Ų | 120.3 | 97% | 0.97 | 68% | 0.683 | S | S | * | * | trans | -137.6 | 138.6 | 153.7 | -75.6 | -159.3 | 178.4 | 0 | 0 | 112 | ||||
| 539 | S | 27.1 | Very low | 32.7 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -134.3 | 120.7 | -168.8 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 540 | S | 25.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | 44.5 | 111.7 | 145.2 | 63.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 541 | T | 29.6 | Very low | 30.6 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | trans | -144 | 142.5 | 130.3 | 31.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 542 | S | 25.6 | Very low | 30 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -89.8 | 168.3 | 170.1 | 48 | 0 | 0 | 0 | 0 | 110 | ||||
| 543 | T | 31.3 | Very low | 29.2 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | -164.6 | 168.2 | 54.7 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 544 | D | 25.6 | Very low | 28.5 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -66.3 | 166.5 | 177 | -41 | -99.8 | 0 | 0 | 0 | 115.3 | ||||
| 545 | M | 30.6 | Very low | 28 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | -179.2 | 119.6 | 117.5 | -93.6 | -63.7 | 171.5 | 0 | 0 | 115.2 | |||||
| 546 | N | 26.2 | Very low | 27.6 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -27.1 | 141 | 167.8 | -75 | -46.2 | 0 | 0 | 0 | 123.5 | ||||
| 547 | S | 25.4 | Very low | 27.4 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 93 | 141.5 | 119.6 | 70.9 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 548 | S | 26.7 | Very low | 27.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | 76.1 | 151.8 | 150 | 86.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 549 | M | 25 | Very low | 27.3 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | cis | -162.5 | 157.6 | -10.8 | -137.8 | 177.6 | 165 | 0 | 0 | 112.2 | ||||
| 550 | A | 26.5 | Very low | 27.3 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | trans | 56.6 | 125.3 | 146 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 551 | D | 25.4 | Very low | 27.5 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | 46.9 | 130.6 | 128.2 | -44.2 | -30.8 | 0 | 0 | 0 | 121.2 | |||||
| 552 | H | 31.2 | Very low | 27.3 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | -178.1 | 162.3 | 72.6 | -91.2 | -61.7 | 0 | 0 | 0 | 114.3 | |||||
| 553 | H | 26.9 | Very low | 27.2 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | 22.4 | 150.7 | 142.3 | -66.4 | -68.2 | 0 | 0 | 0 | 122.8 | ||||
| 554 | E | 26.1 | Very low | 27 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 61% | 0.607 | 73% | 0.73 | S | S | * | * | cis | 177.7 | 169.6 | -9.6 | -172.6 | 167.1 | -105.1 | 0 | 0 | 109.5 | ||||
| 555 | H | 30.2 | Very low | 27 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 68% | 0.676 | 73% | 0.732 | S | S | * | * | trans | 67.8 | 154.5 | 160.5 | -76.1 | -31.8 | 0 | 0 | 0 | 118.2 | ||||
| 556 | N | 27.8 | Very low | 26.7 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | cis | -164 | 166.4 | -5.5 | -119.9 | -19.2 | 0 | 0 | 0 | 114.6 | ||||
| 557 | I | 28.1 | Very low | 26.7 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | trans | 69.7 | 90.2 | 146.4 | -64.2 | 161.8 | 0 | 0 | 0 | 120.1 | ||||
| 558 | S | 24.9 | Very low | 26.7 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | 24.7 | 160.8 | 121.2 | 64.6 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 559 | T | 28.9 | Very low | 26.7 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | 97 | 147.1 | 156 | 68.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 560 | T | 27.3 | Very low | 26.8 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | cis | -163.4 | 166.2 | -33.7 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 561 | V | 28.6 | Very low | 26.9 | Very low | 137 Ų | 137 | 138 Ų | 138 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | 95.3 | 133.8 | 156.6 | -169.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 562 | R | 24.4 | Very low | 27.2 | Very low | 218 Ų | 218 | 135.9 Ų | 135.9 | 82% | 0.823 | 73% | 0.728 | S | S | * | * | trans | -77 | 150.5 | 174.8 | -53.7 | 165 | 166.4 | 116.6 | -4.3 | 112.3 | ||||
| 563 | N | 25.1 | Very low | 27.2 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | 166.4 | 121.8 | 110.2 | -87.8 | -21.3 | 0 | 0 | 0 | 115.8 | |||||
| 564 | S | 26 | Very low | 27.4 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | 71.7 | 152.7 | 131.6 | 79.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 565 | M | 25.2 | Very low | 27.5 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | 76.4 | 95.4 | 155 | -60.8 | -158.1 | -178.1 | 0 | 0 | 121.4 | ||||
| 566 | L | 25.1 | Very low | 27.6 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | 71.3 | 142.9 | 112.5 | -72.1 | 167.8 | 0 | 0 | 0 | 122.6 | |||||
| 567 | L | 25.2 | Very low | 27.7 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 78.4 | 92.7 | 145.4 | -73 | 162 | 0 | 0 | 0 | 121.4 | ||||
| 568 | S | 26.1 | Very low | 27.8 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | 95.6 | 136.3 | 107 | 77.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 569 | R | 26.9 | Very low | 28.1 | Very low | 235 Ų | 235 | 137.4 Ų | 137.4 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | 69.7 | 157.1 | 144.3 | -78.4 | -180 | 177.2 | -166 | -2 | 117.6 | ||||
| 570 | S | 27 | Very low | 28.2 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 58% | 0.58 | 78% | 0.775 | S | S | * | * | cis | -163.8 | 162.4 | 1.8 | -123.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 571 | T | 28.3 | Very low | 28.4 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 63.7 | 161.6 | 154.4 | 54.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 572 | A | 31.1 | Very low | 28.4 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | cis | -148.1 | -169.7 | 13.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 573 | I | 33.1 | Very low | 28.7 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | cis | -140.5 | -106.1 | 2.3 | -158.8 | 166.3 | 0 | 0 | 0 | 114.3 | ||||
| 574 | T | 29.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -163 | 158.5 | -160.8 | 55.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 575 | G | 29.5 | Very low | 29 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | trans | 146.4 | 108.8 | 134.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 576 | G | 31.9 | Very low | 29.7 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | 162.2 | 137.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 577 | Q | 29.4 | Very low | 30.2 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | -168.1 | 123.5 | -179.6 | -177.5 | -179.7 | 4.9 | 0 | 0 | 114.3 | ||||
| 578 | M | 29.7 | Very low | 30.4 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | trans | -166 | 117.2 | 152.7 | -102.9 | 179.3 | 171.3 | 0 | 0 | 107.9 | ||||
| 579 | Q | 31.4 | Very low | 30.6 | Very low | 158 Ų | 158 | 130 Ų | 130 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 71 | 134.8 | 71.9 | -73.3 | -176.3 | -18 | 0 | 0 | 113.3 | |||||
| 580 | S | 31 | Very low | 30.9 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -158.4 | -173.3 | 5.9 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 581 | I | 31.3 | Very low | 31 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | -145.4 | -106.8 | 16 | -158.1 | 162.2 | 0 | 0 | 0 | 114.8 | ||||
| 582 | T | 29.8 | Very low | 31.7 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | trans | -149.3 | -174.5 | -158.2 | 56.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 583 | E | 29.8 | Very low | 31.8 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | cis | -164.1 | 145.6 | 18.6 | -142.3 | 139 | -98.3 | 0 | 0 | 113.1 | ||||
| 584 | E | 28.7 | Very low | 31.7 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | 46.3 | 163.2 | 141.4 | -72.9 | -154.8 | -159.9 | 0 | 0 | 125.9 | ||||
| 585 | S | 30.1 | Very low | 31.7 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | cis | -166.5 | -160.9 | -26.3 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 586 | P | 39.1 | Very low | 31.7 | Very low | 100 Ų | 100 | 132 Ų | 132 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | -133.5 | -145.4 | -130.5 | 42.1 | -18 | 0 | 0 | 0 | 118 | ||||
| 587 | H | 34.7 | Very low | 31.5 | Very low | 165 Ų | 165 | 135 Ų | 135 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | 105.8 | 107.2 | 168.6 | -57.7 | -62.2 | 0 | 0 | 0 | 117.7 | ||||
| 588 | S | 30.8 | Very low | 31.3 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | 84 | 144.2 | 81.9 | 73.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 589 | S | 29.9 | Very low | 31.3 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | cis | -175.6 | 176.9 | -1.2 | 41.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 590 | F | 32.3 | Very low | 31 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 79% | 0.789 | 72% | 0.719 | S | S | * | * | trans | 91.9 | 94.1 | 161.6 | -60.6 | -68.1 | 0 | 0 | 0 | 123.5 | ||||
| 591 | D | 30.5 | Very low | 30.9 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | 56.5 | 156.6 | 111.4 | -62.9 | -22.8 | 0 | 0 | 0 | 127 | |||||
| 592 | P | 41.9 | Very low | 30.6 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -125.2 | -170.8 | -162.8 | 44.6 | -29.4 | 0 | 0 | 0 | 115.8 | ||||
| 593 | V | 34 | Very low | 30.5 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 179 | 133.2 | 145.1 | 139.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 594 | N | 29.5 | Very low | 30.5 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | trans | 44.7 | 144.3 | 145.7 | -61.2 | 2.3 | 0 | 0 | 0 | 128.8 | ||||
| 595 | N | 30.5 | Very low | 30.5 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | trans | 66.6 | 154.6 | 137.4 | -68.3 | 29.3 | 0 | 0 | 0 | 121.3 | ||||
| 596 | E | 28.8 | Very low | 30.6 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -164.8 | 165.2 | -14.9 | -115.6 | -176.4 | 118 | 0 | 0 | 113.8 | ||||
| 597 | Q | 28 | Very low | 30.2 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | trans | 58 | 117.8 | 146.6 | -68.7 | -174.9 | 38.1 | 0 | 0 | 125.9 | ||||
| 598 | L | 26 | Very low | 30.2 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | 74.8 | 157.9 | 123.3 | -73.2 | 166.4 | 0 | 0 | 0 | 126.2 | |||||
| 599 | V | 28.3 | Very low | 30.4 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | 91.3 | 81.9 | 157.4 | -157.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 600 | V | 26.1 | Very low | 30.6 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | 35.1 | 109.3 | 115.3 | -177.7 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 601 | K | 28.8 | Very low | 30.7 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | 159.1 | 171.6 | 134.8 | -94.3 | 156.9 | 179.7 | 176.6 | 0 | 111.8 | ||||
| 602 | Q | 25.3 | Very low | 30.8 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | cis | -174.4 | 142.9 | -49.5 | -173 | 171.4 | 10.8 | 0 | 0 | 108.9 | ||||
| 603 | S | 26.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 61.3 | 128.5 | 159.1 | 56.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 604 | G | 30.2 | Very low | 29.9 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | trans | 101.2 | 152.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 605 | S | 28.8 | Very low | 29.8 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | cis | 179.2 | 165.1 | -18.3 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 606 | V | 31.9 | Very low | 30.1 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 70.5 | 129.8 | 158 | 159.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 607 | D | 31.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | cis | -150.2 | -147.5 | -9 | -108.2 | -15 | 0 | 0 | 0 | 109 | ||||
| 608 | D | 34.6 | Very low | 29.8 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | -163 | -174 | 20.4 | -166.6 | 39.2 | 0 | 0 | 0 | 115 | ||||
| 609 | T | 34.2 | Very low | 29.9 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | -45.2 | 168.1 | -179.9 | 63.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 610 | T | 34.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 127 Ų | 127 | 64% | 0.638 | 74% | 0.741 | S | S | * | * | cis | -160.4 | 160 | 3.6 | 10.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 611 | N | 33.9 | Very low | 30.3 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 63.6 | 148.8 | 142.9 | -68.5 | -23.4 | 0 | 0 | 0 | 121.9 | ||||
| 612 | N | 32.6 | Very low | 30.2 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | cis | -161.7 | 133.7 | -18.9 | -126.8 | -34.9 | 0 | 0 | 0 | 113.6 | ||||
| 613 | R | 27.1 | Very low | 30.3 | Very low | 212 Ų | 212 | 122.9 Ų | 122.9 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | 53.8 | 129.9 | 140.5 | -79.7 | 171.2 | 178.7 | -170.1 | -1.9 | 124.5 | ||||
| 614 | K | 30.2 | Very low | 30.5 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | 105 | 102.3 | 128 | -88 | -174.3 | 176.5 | -169.6 | 0 | 122.6 | |||||
| 615 | S | 28.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | 76.9 | 158.3 | 126.9 | 57.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 616 | P | 35.9 | Very low | 30.6 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -128.1 | 178 | -139.2 | 44.8 | -32.6 | 0 | 0 | 0 | 116.5 | ||||
| 617 | S | 26 | Very low | 30.4 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 135.8 | 146.4 | 140.8 | 76.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 618 | S | 25.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 63.3 | 127.6 | 153 | 53.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 619 | S | 26.5 | Very low | 29.9 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 71.7 | 107.3 | 135.7 | 63.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 620 | S | 28.9 | Very low | 29.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | 85.1 | 161.6 | 120.7 | 82.9 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 621 | P | 35.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -118.8 | 176.2 | -142.6 | 43.3 | -36 | 0 | 0 | 0 | 115.3 | ||||
| 622 | C | 25 | Very low | 29.2 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -169.3 | 159 | 136.9 | -115.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 623 | N | 27.8 | Very low | 28.9 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -73 | 168.2 | -179.2 | -54.7 | -32.3 | 0 | 0 | 0 | 113.7 | ||||
| 624 | R | 30.9 | Very low | 28.7 | Very low | 252 Ų | 252 | 136.1 Ų | 136.1 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | trans | -132.6 | 143.2 | 135.8 | -85.9 | -162.5 | 177.3 | -164.8 | -0.6 | 111.9 | ||||
| 625 | T | 28.2 | Very low | 28.4 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -101.9 | 161.1 | -176.2 | 45.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 626 | M | 33 | Very low | 28.4 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | trans | -128.2 | 149.2 | 142.5 | -75 | -63.8 | -77.5 | 0 | 0 | 107.7 | ||||
| 627 | S | 27.4 | Very low | 27.8 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -131.8 | 137.7 | -164.4 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 628 | G | 29.4 | Very low | 27.8 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -143.4 | 133.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 629 | S | 25.6 | Very low | 27.8 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -130.4 | 132.4 | -169.9 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 630 | L | 29.7 | Very low | 27.7 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 95% | 0.953 | 83% | 0.834 | S | S | * | * | trans | -163.6 | 160.3 | 158.9 | -103.5 | 156.6 | 0 | 0 | 0 | 108.4 | ||||
| 631 | S | 31.3 | Very low | 27.5 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -134.7 | 150.1 | -177.4 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 632 | P | 28.8 | Very low | 27 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | -133.2 | 153.9 | 115.2 | 40.3 | -30.7 | 0 | 0 | 0 | 110.3 | |||||
| 633 | K | 25.3 | Very low | 27 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | 62.7 | 125.5 | 52.2 | -81.3 | -161.5 | 168.2 | -160.3 | 0 | 114.7 | |||||
| 634 | E | 23.9 | Very low | 27.1 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | 63.5 | 87.5 | 161.6 | -69.2 | 155.7 | -137.2 | 0 | 0 | 118.2 | ||||
| 635 | M | 24.1 | Very low | 26.9 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 95% | 0.946 | 80% | 0.799 | S | S | * | * | trans | -178.4 | 71.9 | 132.5 | -103.5 | -170.6 | 164.3 | 0 | 0 | 113.8 | ||||
| 636 | V | 27.5 | Very low | 26.8 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -144.6 | 97.9 | 155.4 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 637 | A | 23.8 | Very low | 26.6 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -143.5 | 60 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 638 | S | 24.7 | Very low | 26.5 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -153.9 | 155.3 | 158.4 | -166.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 639 | M | 25.8 | Very low | 26.3 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | 57.2 | 50.4 | 175.1 | -57.6 | -165.7 | 176.3 | 0 | 0 | 117 | ||||
| 640 | Q | 24.9 | Very low | 26.3 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -81.3 | 117 | 159 | -75.2 | -175.1 | -15.6 | 0 | 0 | 111.5 | ||||
| 641 | S | 25.1 | Very low | 26.1 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -160.1 | 41.9 | 153.8 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | I643 | S641-I643 PolarHBondContact O-N 3.35Š| ||
| 642 | S | 25.8 | Very low | 25.8 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -72.5 | 104.6 | -179.1 | 49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 643 | I | 25 | Very low | 25.6 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -96.3 | 86.3 | 158.1 | -58.5 | -178.3 | 0 | 0 | 0 | 107.7 | S641 I645 | S641-I643 PolarHBondContact O-N 3.35Å; I643-I645 HydrophobicContact CG2-CD1 4.41Å; I643-I645 HydrophobicContact CG2-CG1 3.67Å; I643-I645 PolarHBondContact O-N 3.28Å | ||
| 644 | I | 29.1 | Very low | 25.7 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 55% | 0.554 | 78% | 0.776 | S | S | * | * | trans | -79.2 | 107.1 | 158.3 | -63 | 176 | 0 | 0 | 0 | 105.5 | D646 | I644-D646 VanDerWaalsContact C-N 3.27Å; I644-D646 PolarHBondContact O-N 2.83Å | ||
| 645 | I | 27.1 | Very low | 25.8 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 59% | 0.585 | 78% | 0.78 | S | S | * | * | trans | -76.9 | 88.4 | 168.1 | -51.3 | -176.2 | 0 | 0 | 0 | 107 | I643 I647 | I643-I645 HydrophobicContact CG2-CD1 4.41Å; I643-I645 HydrophobicContact CG2-CG1 3.67Å; I643-I645 PolarHBondContact O-N 3.28Å; I645-I647 VanDerWaalsContact C-N 3.32Å; I645-I647 HydrophobicContact CG2-CG1 3.94Å; I645-I647 PolarHBondContact O-N 2.79Å | ||
| 646 | D | 25.1 | Very low | 25.9 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 57% | 0.572 | 78% | 0.777 | S | S | * | * | trans | -66.3 | 100 | 160.1 | -80.2 | -40 | 0 | 0 | 0 | 107.6 | I644 E648 R1037 | I644-D646 VanDerWaalsContact C-N 3.27Å; I644-D646 PolarHBondContact O-N 2.83Å; D646-E648 VanDerWaalsContact C-N 3.29Å; D646-E648 PolarHBondContact O-N 2.98Å; D646-R1037 IonicContact OD1-NH1 3.32Å; D646-R1037 PolarHBondContact OD1-NH1 2.9Å | ||
| 647 | I | 28.9 | Very low | 26 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -69.2 | 92.4 | 171 | -58.5 | 176.8 | 0 | 0 | 0 | 106.6 | I645 | I645-I647 VanDerWaalsContact C-N 3.32Å; I645-I647 HydrophobicContact CG2-CG1 3.94Å; I645-I647 PolarHBondContact O-N 2.79Å | ||
| 648 | E | 25.4 | Very low | 26.2 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | -56.3 | 146.4 | 170.5 | -71.6 | -161.3 | 118.6 | 0 | 0 | 110.2 | D646 D650 | D646-E648 VanDerWaalsContact C-N 3.29Å; D646-E648 PolarHBondContact O-N 2.98Å; E648-D650 PolarHBondContact O-N 3.42Å | ||
| 649 | S | 24.8 | Very low | 26.9 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -77.8 | 64 | -168 | 59.6 | 0 | 0 | 0 | 0 | 114 | K651 | S649-K651 PolarHBondContact O-N 3.28Š| ||
| 650 | D | 25.9 | Very low | 27.1 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | trans | -65.7 | 129.2 | 176.7 | -111.5 | -15.9 | 0 | 0 | 0 | 111.5 | E648 D652 | E648-D650 PolarHBondContact O-N 3.42Å; D650-D652 PolarHBondContact O-N 3.21Å | ||
| 651 | K | 25.1 | Very low | 27.6 | Very low | 194 Ų | 194 | 120.9 Ų | 120.9 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -95.2 | 36.7 | -166.2 | -67.8 | -177.8 | 179.3 | 170.9 | 0 | 113.9 | S649 | S649-K651 PolarHBondContact O-N 3.28Š| ||
| 652 | D | 26 | Very low | 28.9 | Very low | 131 Ų | 131 | 120 Ų | 120 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -121.1 | 122.8 | -179.4 | -84.6 | -57.9 | 0 | 0 | 0 | 113.5 | D650 H654 | D650-D652 PolarHBondContact O-N 3.21Å; D652-H654 PolarHBondContact O-N 2.89Å | ||
| 653 | G | 24.8 | Very low | 30.2 | Very low | 84 Ų | 84 | 117.4 Ų | 117.4 | 87% | 0.866 | 64% | 0.643 | S | S | * | * | trans | -81.8 | 73.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 654 | H | 27.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 111.2 Ų | 111.2 | 75% | 0.745 | 61% | 0.611 | S | S | * | * | trans | -97.7 | 100.4 | -178.8 | -75.6 | -85 | 0 | 0 | 0 | 114.8 | D652 L656 | D652-H654 PolarHBondContact O-N 2.89Å; H654-L656 PolarHBondContact O-N 3.22Å; H654-L656 VanDerWaalsContact O-N 3.1Å | ||
| 655 | K | 25.4 | Very low | 33 | Very low | 202 Ų | 202 | 111.2 Ų | 111.2 | 88% | 0.878 | 61% | 0.609 | S | S | * | * | trans | 17.6 | 71.7 | 155.7 | -64.4 | -175.6 | 175.2 | -178.3 | 0 | 119.2 | G657 | K655-G657 PolarHBondContact O-N 3Š| ||
| 656 | L | 27.5 | Very low | 34.5 | Very low | 172 Ų | 172 | 110.1 Ų | 110.1 | 90% | 0.901 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -6.7 | 159.8 | -88.1 | 162.7 | 0 | 0 | 0 | 114.1 | H654 S658 | H654-L656 PolarHBondContact O-N 3.22Å; H654-L656 VanDerWaalsContact O-N 3.1Å; L656-S658 PolarHBondContact O-N 2.76Å |
| 657 | G | 27.9 | Very low | 35.8 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 68% | 0.68 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 3.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | K655 | K655-G657 PolarHBondContact O-N 3Š|
| 658 | S | 29.7 | Very low | 37.1 | Very low | 77 Ų | 77 | 101.1 Ų | 101.1 | 54% | 0.538 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -79.2 | -61.5 | -175.6 | -154.3 | 0 | 0 | 0 | 0 | 112.2 | L656 A660 G661 | L656-S658 PolarHBondContact O-N 2.76Å; S658-A660 VanDerWaalsContact C-N 3.28Å; S658-A660 PolarHBondContact O-N 3.49Å; S658-G661 PolarHBondContact O-N 3.2Å |
| 659 | H | 37.4 | Very low | 38.7 | Very low | 131 Ų | 131 | 98.5 Ų | 98.5 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76 | -12.5 | -169 | -58.9 | -49.4 | 0 | 0 | 0 | 115.1 | G661 D662 L663 | H659-G661 PolarHBondContact O-N 2.98Å; H659-D662 WeakPolarHBondContact CA-OD2 3.48Å; H659-D662 IonicContact CE1-OD2 2.73Å; H659-D662 IonicContact CG-OD2 3.53Å; H659-D662 IonicContact ND1-OD2 2.81Å; H659-D662 PolarHBondContact ND1-OD2 3.04Å; H659-D662 PolarHBondContact O-N 2.69Å; H659-L663 WeakPolarHBondContact O-CG 3.35Å; H659-L663 PolarHBondContact O-N 2.84Å; H659-L663 VanDerWaalsContact O-N 3.17Å |
| 660 | A | 30.5 | Very low | 40.1 | Very low | 31 Ų | 31 | 98.1 Ų | 98.1 | 26% | 0.256 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -32.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S658 L664 V1080 | S658-A660 VanDerWaalsContact C-N 3.28Å; S658-A660 PolarHBondContact O-N 3.49Å; A660-L664 WeakPolarHBondContact O-CG 3.38Å; A660-V1080 HydrophobicContact CB-CG1 3.69Å; A660-V1080 HydrophobicContact CB-CG2 4.14Å |
| 661 | G | 36.4 | Very low | 41.1 | Very low | 6 Ų | 6 | 95.5 Ų | 95.5 | 6% | 0.062 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -68.9 | -48.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S658 H659 L663 L664 H665 T757 | S658-G661 PolarHBondContact O-N 3.2Å; H659-G661 PolarHBondContact O-N 2.98Å; G661-L663 PolarHBondContact O-N 3.07Å; G661-L664 PolarHBondContact O-N 2.91Å; G661-H665 VanDerWaalsContact O-CB 3.23Å; G661-H665 WeakPolarHBondContact O-CB 3.45Å; G661-H665 PolarHBondContact O-N 3.17Å; G661-T757 VanDerWaalsContact CA-CG2 3.48Å |
| 662 | D | 51.3 | Low | 42.5 | Very low | 96 Ų | 96 | 90.4 Ų | 90.4 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.1 | -49.3 | -177.3 | -54.3 | -35 | 0 | 0 | 0 | 111.3 | H659 L664 H665 E666 | H659-D662 WeakPolarHBondContact CA-OD2 3.48Å; H659-D662 IonicContact CE1-OD2 2.73Å; H659-D662 IonicContact CG-OD2 3.53Å; H659-D662 IonicContact ND1-OD2 2.81Å; H659-D662 PolarHBondContact ND1-OD2 3.04Å; H659-D662 PolarHBondContact O-N 2.69Å; D662-L664 PolarHBondContact O-N 3.3Å; D662-H665 PolarHBondContact O-N 3.4Å; D662-E666 WeakPolarHBondContact O-CB 3.33Å; D662-E666 PolarHBondContact O-N 3.3Å |
| 663 | L | 54.5 | Low | 43.6 | Very low | 51 Ų | 51 | 88 Ų | 88 | 27% | 0.267 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | -179.4 | -69.9 | 167.2 | 0 | 0 | 0 | 112.8 | H659 G661 F667 P1078 V1080 | H659-L663 WeakPolarHBondContact O-CG 3.35Å; H659-L663 PolarHBondContact O-N 2.84Å; H659-L663 VanDerWaalsContact O-N 3.17Å; G661-L663 PolarHBondContact O-N 3.07Å; L663-F667 WeakPolarHBondContact O-CB 3.24Å; L663-F667 PolarHBondContact O-N 3.02Å; L663-P1078 HydrophobicContact CD1-CB 4.15Å; L663-V1080 HydrophobicContact CD1-CG2 3.68Å |
| 664 | L | 57.6 | Low | 44.5 | Very low | 20 Ų | 20 | 92.5 Ų | 92.5 | 11% | 0.105 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -75.5 | -28.1 | -179.2 | -65.4 | 172.5 | 0 | 0 | 0 | 112.2 | A660 G661 D662 Q668 P758 Y760 V1080 L1082 | A660-L664 WeakPolarHBondContact O-CG 3.38Å; G661-L664 PolarHBondContact O-N 2.91Å; D662-L664 PolarHBondContact O-N 3.3Å; L664-Q668 PolarHBondContact O-N 2.82Å; L664-P758 HydrophobicContact CB-CG 3.8Å; L664-P758 VanDerWaalsContact CD1-O 3.3Å; L664-P758 WeakPolarHBondContact CD1-O 3.46Å; L664-Y760 HydrophobicContact CD2-CE2 4.37Å; L664-V1080 HydrophobicContact CD1-CG1 4.21Å; L664-L1082 HydrophobicContact CD1-CD2 4.4Å; L664-L1082 HydrophobicContact CD2-CD2 4.32Å |
| 665 | H | 55.1 | Low | 45.2 | Very low | 108 Ų | 108 | 88.6 Ų | 88.6 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.6 | -41 | 172.2 | -171.4 | -44.5 | 0 | 0 | 0 | 111.8 | G661 D662 F667 Q668 K669 | G661-H665 VanDerWaalsContact O-CB 3.23Å; G661-H665 WeakPolarHBondContact O-CB 3.45Å; G661-H665 PolarHBondContact O-N 3.17Å; D662-H665 PolarHBondContact O-N 3.4Å; H665-F667 VanDerWaalsContact C-N 3.32Å; H665-Q668 PolarHBondContact O-N 3.15Å; H665-K669 WeakPolarHBondContact O-CB 3.49Å; H665-K669 PolarHBondContact O-N 3.05Å |
| 666 | E | 57.1 | Low | 46 | Very low | 90 Ų | 90 | 83.5 Ų | 83.5 | 42% | 0.421 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 174.6 | -156.3 | -162.1 | 161.7 | 0 | 0 | 110.6 | D662 K669 R670 | D662-E666 WeakPolarHBondContact O-CB 3.33Å; D662-E666 PolarHBondContact O-N 3.3Å; E666-K669 PolarHBondContact O-N 2.89Å; E666-R670 WeakPolarHBondContact O-CB 3.27Å; E666-R670 WeakPolarHBondContact O-CG 3.25Å; E666-R670 PolarHBondContact O-N 3.26Å; E666-R670 IonicContact OE1-CZ 3.71Å; E666-R670 IonicContact OE1-NE 3.85Å; E666-R670 PolarHBondContact OE1-NE 3.48Å; E666-R670 IonicContact OE1-NH2 2.87Å; E666-R670 PolarHBondContact OE1-NH2 3.21Å; E666-R670 IonicContact OE2-CZ 3.94Å; E666-R670 IonicContact OE2-NH2 3.72Å; E666-R670 PolarHBondContact OE2-NH2 2.92Å; E666-R670 VanDerWaalsContact OE2-NH2 3.15Å |
| 667 | F | 52.8 | Low | 46.7 | Very low | 39 Ų | 39 | 79 Ų | 79 | 17% | 0.171 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.2 | -49.9 | 170.5 | 170 | -98.5 | 0 | 0 | 0 | 112.5 | L663 H665 K669 R670 R671 L1099 L1115 | L663-F667 WeakPolarHBondContact O-CB 3.24Å; L663-F667 PolarHBondContact O-N 3.02Å; H665-F667 VanDerWaalsContact C-N 3.32Å; F667-K669 VanDerWaalsContact C-N 3.33Å; F667-K669 PolarHBondContact O-N 3.49Å; F667-R670 PolarHBondContact O-N 3.27Å; F667-R671 PolarHBondContact O-N 2.97Å; F667-L1099 HydrophobicContact CD1-CD2 4.17Å; F667-L1099 HydrophobicContact CD2-CD2 4Å; F667-L1099 HydrophobicContact CE1-CD2 3.69Å; F667-L1099 HydrophobicContact CE2-CB 4.46Å; F667-L1099 HydrophobicContact CE2-CD2 3.51Å; F667-L1099 HydrophobicContact CE2-CG 4.49Å; F667-L1099 HydrophobicContact CG-CD2 4.32Å; F667-L1099 HydrophobicContact CZ-CB 3.88Å; F667-L1099 HydrophobicContact CZ-CD2 3.34Å; F667-L1099 HydrophobicContact CZ-CG 4.2Å; F667-L1115 HydrophobicContact CD1-CD1 3.81Å; F667-L1115 HydrophobicContact CE1-CD1 3.57Å |
| 668 | Q | 57.4 | Low | 47.2 | Very low | 28 Ų | 28 | 82 Ų | 82 | 13% | 0.131 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 177.8 | -81.9 | -169.9 | -30.8 | 0 | 0 | 112.4 | L664 H665 R671 L672 P758 P1116 | L664-Q668 PolarHBondContact O-N 2.82Å; H665-Q668 PolarHBondContact O-N 3.15Å; Q668-R671 WeakPolarHBondContact O-CB 3.45Å; Q668-R671 PolarHBondContact O-N 2.89Å; Q668-L672 WeakPolarHBondContact O-CG 3.36Å; Q668-L672 PolarHBondContact O-N 3.43Å; Q668-P758 VanDerWaalsContact CD-CB 3.42Å; Q668-P758 HydrophobicContact CG-CB 4.36Å; Q668-P758 HydrophobicContact CG-CG 4.39Å; Q668-P758 VanDerWaalsContact OE1-CB 3.26Å; Q668-P1116 PolarHBondContact NE2-O 3.49Å |
| 669 | K | 58.6 | Low | 47.7 | Very low | 116 Ų | 116 | 82.4 Ų | 82.4 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.5 | -54.2 | 174.6 | -174 | -170.8 | 171.4 | -171.5 | 0 | 111.2 | H665 E666 F667 R671 L672 D673 | H665-K669 WeakPolarHBondContact O-CB 3.49Å; H665-K669 PolarHBondContact O-N 3.05Å; E666-K669 PolarHBondContact O-N 2.89Å; F667-K669 VanDerWaalsContact C-N 3.33Å; F667-K669 PolarHBondContact O-N 3.49Å; K669-R671 PolarHBondContact O-N 2.79Å; K669-R671 VanDerWaalsContact O-N 3.15Å; K669-L672 PolarHBondContact O-N 3.2Å; K669-D673 VanDerWaalsContact O-CG 3.26Å; K669-D673 PolarHBondContact O-N 3.21Å |
| 670 | R | 54.5 | Low | 47.5 | Very low | 103 Ų | 103 | 82.4 Ų | 82.4 | 39% | 0.389 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.7 | -29.6 | 177.8 | -68.4 | 176.8 | -173 | -180 | 6.8 | 112.4 | E666 F667 R674 H1070 | E666-R670 WeakPolarHBondContact O-CB 3.27Å; E666-R670 WeakPolarHBondContact O-CG 3.25Å; E666-R670 PolarHBondContact O-N 3.26Å; E666-R670 IonicContact OE1-CZ 3.71Å; E666-R670 IonicContact OE1-NE 3.85Å; E666-R670 PolarHBondContact OE1-NE 3.48Å; E666-R670 IonicContact OE1-NH2 2.87Å; E666-R670 PolarHBondContact OE1-NH2 3.21Å; E666-R670 IonicContact OE2-CZ 3.94Å; E666-R670 IonicContact OE2-NH2 3.72Å; E666-R670 PolarHBondContact OE2-NH2 2.92Å; E666-R670 VanDerWaalsContact OE2-NH2 3.15Å; F667-R670 PolarHBondContact O-N 3.27Å; R670-R674 PolarHBondContact O-N 2.83Å; R670-H1070 PolarHBondContact NH1-NE2 3.29Å |
| 671 | R | 47.4 | Very low | 47.6 | Very low | 100 Ų | 100 | 87.7 Ų | 87.7 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.8 | -53.1 | 171.4 | 179 | 179.7 | 173.6 | 173.5 | -2.6 | 112 | F667 Q668 K669 D673 R674 E675 | F667-R671 PolarHBondContact O-N 2.97Å; Q668-R671 WeakPolarHBondContact O-CB 3.45Å; Q668-R671 PolarHBondContact O-N 2.89Å; K669-R671 PolarHBondContact O-N 2.79Å; K669-R671 VanDerWaalsContact O-N 3.15Å; R671-D673 VanDerWaalsContact C-N 3.31Å; R671-D673 PolarHBondContact O-N 3.37Å; R671-R674 WeakPolarHBondContact O-CB 3.38Å; R671-R674 PolarHBondContact O-N 3.04Å; R671-R674 VanDerWaalsContact O-N 3.09Å; R671-E675 IonicContact CZ-OE1 3.47Å; R671-E675 IonicContact NE-OE1 3.87Å; R671-E675 PolarHBondContact NE-OE1 3.46Å; R671-E675 IonicContact NE-OE2 2.84Å; R671-E675 IonicContact NH2-OE1 3.82Å; R671-E675 PolarHBondContact NH2-OE1 2.91Å; R671-E675 PolarHBondContact O-N 3.11Å |
| 672 | L | 53 | Low | 47.5 | Very low | 87 Ų | 87 | 92.8 Ų | 92.8 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | -179.6 | -73.7 | 164 | 0 | 0 | 0 | 111.6 | Q668 K669 R674 E675 N676 | Q668-L672 WeakPolarHBondContact O-CG 3.36Å; Q668-L672 PolarHBondContact O-N 3.43Å; K669-L672 PolarHBondContact O-N 3.2Å; L672-R674 VanDerWaalsContact C-N 3.27Å; L672-R674 PolarHBondContact O-N 2.99Å; L672-E675 PolarHBondContact O-N 3.3Å; L672-N676 WeakPolarHBondContact O-CB 3.47Å; L672-N676 VanDerWaalsContact O-CG 3.32Å; L672-N676 PolarHBondContact O-N 3.28Å; L672-N676 PolarHBondContact O-ND2 2.93Å; L672-N676 VanDerWaalsContact O-ND2 3.12Å |
| 673 | D | 49.6 | Very low | 46.4 | Very low | 79 Ų | 79 | 93.5 Ų | 93.5 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.7 | -38.6 | 175.7 | -65.4 | -25.9 | 0 | 0 | 0 | 111.5 | K669 R671 S677 | K669-D673 VanDerWaalsContact O-CG 3.26Å; K669-D673 PolarHBondContact O-N 3.21Å; R671-D673 VanDerWaalsContact C-N 3.31Å; R671-D673 PolarHBondContact O-N 3.37Å; D673-S677 WeakPolarHBondContact O-CB 3.49Å; D673-S677 PolarHBondContact O-N 3.38Å; D673-S677 VanDerWaalsContact O-N 3.14Å; D673-S677 PolarHBondContact O-OG 3.05Å |
| 674 | R | 43.6 | Very low | 45.2 | Very low | 179 Ų | 179 | 97.4 Ų | 97.4 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74.4 | -38.9 | 178.1 | -166.3 | 178.7 | -171.7 | -174.5 | 3.6 | 113 | R670 R671 L672 S677 Q678 | R670-R674 PolarHBondContact O-N 2.83Å; R671-R674 WeakPolarHBondContact O-CB 3.38Å; R671-R674 PolarHBondContact O-N 3.04Å; R671-R674 VanDerWaalsContact O-N 3.09Å; L672-R674 VanDerWaalsContact C-N 3.27Å; L672-R674 PolarHBondContact O-N 2.99Å; R674-S677 PolarHBondContact O-N 2.9Å; R674-Q678 PolarHBondContact O-N 3.4Å |
| 675 | E | 42.8 | Very low | 43.8 | Very low | 80 Ų | 80 | 100.7 Ų | 100.7 | 37% | 0.374 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 176.5 | -72.8 | 174.5 | 165.1 | 0 | 0 | 110.8 | R671 L672 S677 Q678 V679 | R671-E675 IonicContact CZ-OE1 3.47Å; R671-E675 IonicContact NE-OE1 3.87Å; R671-E675 PolarHBondContact NE-OE1 3.46Å; R671-E675 IonicContact NE-OE2 2.84Å; R671-E675 IonicContact NH2-OE1 3.82Å; R671-E675 PolarHBondContact NH2-OE1 2.91Å; R671-E675 PolarHBondContact O-N 3.11Å; L672-E675 PolarHBondContact O-N 3.3Å; E675-S677 VanDerWaalsContact C-N 3.31Å; E675-S677 PolarHBondContact O-N 3.36Å; E675-Q678 PolarHBondContact O-N 2.95Å; E675-Q678 VanDerWaalsContact O-N 3.14Å; E675-V679 PolarHBondContact O-N 3.24Å |
| 676 | N | 41.1 | Very low | 42.5 | Very low | 95 Ų | 95 | 99.6 Ų | 99.6 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 174.1 | -74 | -36.4 | 0 | 0 | 0 | 112.5 | L672 Q678 V679 L680 | L672-N676 WeakPolarHBondContact O-CB 3.47Å; L672-N676 VanDerWaalsContact O-CG 3.32Å; L672-N676 PolarHBondContact O-N 3.28Å; L672-N676 PolarHBondContact O-ND2 2.93Å; L672-N676 VanDerWaalsContact O-ND2 3.12Å; N676-Q678 PolarHBondContact O-N 2.85Å; N676-V679 PolarHBondContact O-N 3.3Å; N676-L680 PolarHBondContact O-N 3.33Å |
| 677 | S | 42 | Very low | 41.1 | Very low | 76 Ų | 76 | 103.1 Ų | 103.1 | 53% | 0.531 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -26.1 | 178.3 | -61.7 | 0 | 0 | 0 | 0 | 113.6 | D673 R674 E675 | D673-S677 WeakPolarHBondContact O-CB 3.49Å; D673-S677 PolarHBondContact O-N 3.38Å; D673-S677 VanDerWaalsContact O-N 3.14Å; D673-S677 PolarHBondContact O-OG 3.05Å; R674-S677 PolarHBondContact O-N 2.9Å; E675-S677 VanDerWaalsContact C-N 3.31Å; E675-S677 PolarHBondContact O-N 3.36Å |
| 678 | Q | 38.5 | Very low | 40.1 | Very low | 129 Ų | 129 | 106.5 Ų | 106.5 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -83.7 | -26.5 | 176.3 | -69.3 | -174.2 | -24.9 | 0 | 0 | 112.9 | R674 E675 N676 T682 | R674-Q678 PolarHBondContact O-N 3.4Å; E675-Q678 PolarHBondContact O-N 2.95Å; E675-Q678 VanDerWaalsContact O-N 3.14Å; N676-Q678 PolarHBondContact O-N 2.85Å; Q678-T682 PolarHBondContact O-OG1 3.11Å; Q678-T682 VanDerWaalsContact O-OG1 3.11Å |
| 679 | V | 40.8 | Very low | 38.7 | Very low | 86 Ų | 86 | 112.6 Ų | 112.6 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.7 | -37.7 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 112 | E675 N676 N681 T682 T683 | E675-V679 PolarHBondContact O-N 3.24Å; N676-V679 PolarHBondContact O-N 3.3Å; V679-N681 VanDerWaalsContact C-N 3.3Å; V679-N681 PolarHBondContact O-N 3.46Å; V679-T682 PolarHBondContact O-N 3.49Å; V679-T682 PolarHBondContact O-OG1 3.17Å; V679-T682 VanDerWaalsContact O-OG1 3.1Å; V679-T683 PolarHBondContact O-OG1 2.97Å |
| 680 | L | 32 | Very low | 37.4 | Very low | 131 Ų | 131 | 113.3 Ų | 113.3 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.6 | -35.3 | 176.9 | -97.9 | 76.7 | 0 | 0 | 0 | 112.9 | N676 T682 | N676-L680 PolarHBondContact O-N 3.33Å; L680-T682 PolarHBondContact O-N 3.39Å |
| 681 | N | 33.2 | Very low | 36.2 | Very low | 143 Ų | 143 | 116.3 Ų | 116.3 | 77% | 0.765 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 4 | -177.6 | -73 | -5.7 | 0 | 0 | 0 | 114.3 | V679 | V679-N681 VanDerWaalsContact C-N 3.3Å; V679-N681 PolarHBondContact O-N 3.46Å |
| 682 | T | 34 | Very low | 35.4 | Very low | 113 Ų | 113 | 117 Ų | 117 | 69% | 0.693 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 8.3 | -174.9 | 46.7 | 0 | 0 | 0 | 0 | 114.7 | Q678 V679 L680 | Q678-T682 PolarHBondContact O-OG1 3.11Å; Q678-T682 VanDerWaalsContact O-OG1 3.11Å; V679-T682 PolarHBondContact O-N 3.49Å; V679-T682 PolarHBondContact O-OG1 3.17Å; V679-T682 VanDerWaalsContact O-OG1 3.1Å; L680-T682 PolarHBondContact O-N 3.39Å |
| 683 | T | 29.5 | Very low | 34.2 | Very low | 111 Ų | 111 | 119.2 Ų | 119.2 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -116.4 | 12.3 | -175.5 | 29.6 | 0 | 0 | 0 | 0 | 116.3 | V679 | V679-T683 PolarHBondContact O-OG1 2.97Š|
| 684 | T | 29.3 | Very low | 32.9 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 82% | 0.816 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -130 | 121.7 | 171.3 | 56 | 0 | 0 | 0 | 0 | 111.9 | ||
| 685 | G | 27.5 | Very low | 32.3 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 91% | 0.907 | 72% | 0.718 | S | S | * | * | trans | 119.2 | 60.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 686 | A | 27.3 | Very low | 31.7 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | trans | -113.8 | 147.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 687 | N | 27.8 | Very low | 31.4 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | 73.4 | 93 | 175.7 | -47.1 | -27.4 | 0 | 0 | 0 | 117.4 | ||||
| 688 | S | 32.6 | Very low | 31 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | -177.6 | 105.7 | 125.1 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 689 | D | 28.6 | Very low | 30.7 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 29.3 | 158.4 | 138.1 | -51 | -37.6 | 0 | 0 | 0 | 124.8 | ||||
| 690 | D | 30.9 | Very low | 30.2 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 86 | 99.2 | 158.2 | -75.3 | -22.6 | 0 | 0 | 0 | 123.3 | ||||
| 691 | Q | 28.5 | Very low | 30.1 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | 54.8 | 114.1 | 122 | -61.2 | 177.6 | 63 | 0 | 0 | 120.5 | |||||
| 692 | S | 30.1 | Very low | 29.8 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | 172.4 | 160.8 | 99.6 | 49.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 693 | C | 27.6 | Very low | 29.8 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 91% | 0.905 | 78% | 0.779 | S | S | * | * | trans | 60.4 | 108.5 | 157.5 | -69.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 694 | S | 24.2 | Very low | 29.7 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -113.3 | 150.9 | 172.6 | 57.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 695 | I | 29.4 | Very low | 29.7 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -137 | 106.2 | 156.5 | -55.6 | -177.9 | 0 | 0 | 0 | 111.5 | ||||
| 696 | T | 31.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -147.5 | 163.7 | 152.6 | 56.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 697 | P | 33.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | -159.5 | -162.5 | 102.6 | 37.9 | -15.5 | 0 | 0 | 0 | 115.3 | |||||
| 698 | I | 33.7 | Very low | 29.9 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | 79.9 | 128.7 | 167.9 | -63.1 | 165.4 | 0 | 0 | 0 | 114.1 | ||||
| 699 | I | 32.4 | Very low | 29.7 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | cis | -162 | 165.4 | -20.4 | -129.5 | 168.4 | 0 | 0 | 0 | 106.2 | ||||
| 700 | S | 30 | Very low | 29.4 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | cis | -157.5 | 125.8 | 46 | -164.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 701 | Q | 30.9 | Very low | 29.4 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 40.4 | 127.8 | 139.1 | -54.9 | -174.6 | -2.7 | 0 | 0 | 122.7 | ||||
| 702 | A | 27.6 | Very low | 29.3 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -109.6 | -173.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 703 | P | 33.5 | Very low | 29.4 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | -154.7 | 147.3 | 88 | 38.9 | -19.4 | 0 | 0 | 0 | 119.3 | |||||
| 704 | K | 27.8 | Very low | 29.4 | Very low | 181 Ų | 181 | 142 Ų | 142 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | -0.3 | 140.3 | 141.4 | -47.2 | 173.8 | -177.2 | 178.5 | 0 | 119.8 | ||||
| 705 | N | 28.8 | Very low | 29.8 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | -170.8 | 144.5 | 100.7 | -96.5 | -10.9 | 0 | 0 | 0 | 113.7 | |||||
| 706 | P | 32 | Very low | 29.6 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -106.7 | 163.6 | 175 | 39.9 | -33.1 | 0 | 0 | 0 | 113.4 | ||||
| 707 | T | 30.3 | Very low | 29.7 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -141.2 | 139 | 162.1 | -32.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 708 | Q | 24.4 | Very low | 29.3 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -81.8 | 154.2 | 170.2 | -63.9 | 167.3 | -38.2 | 0 | 0 | 110.5 | ||||
| 709 | L | 27.6 | Very low | 29.2 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -158.6 | 147.7 | 143.2 | -109.9 | 172.2 | 0 | 0 | 0 | 109.7 | ||||
| 710 | S | 23.5 | Very low | 28.8 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | trans | -139.4 | 137.1 | -175 | 54 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 711 | E | 30.2 | Very low | 29 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | 169.5 | 121.1 | 147 | -94.6 | 157.7 | -155.5 | 0 | 0 | 107.8 | ||||
| 712 | T | 25.6 | Very low | 28.9 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | 83.2 | 114.2 | 71.5 | -57.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 713 | I | 32.5 | Very low | 28.8 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | 172.8 | 149.4 | 140.4 | -90.2 | 155.6 | 0 | 0 | 0 | 110.1 | ||||
| 714 | E | 28.4 | Very low | 28.5 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -101.6 | -160.5 | -173 | -36.9 | 174.5 | 121.2 | 0 | 0 | 111.3 | ||||
| 715 | P | 33 | Very low | 28.5 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | cis | -132.7 | -164.9 | -15.8 | 29.1 | -4.4 | 0 | 0 | 0 | 114.2 | ||||
| 716 | S | 25.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -78.3 | 160.9 | -174 | 54.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 717 | V | 31.5 | Very low | 28.2 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -138.9 | 142.1 | 153.5 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 718 | N | 25.7 | Very low | 28.3 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -93.5 | 156.2 | 176 | -83.3 | -54.9 | 0 | 0 | 0 | 112 | ||||
| 719 | E | 31.1 | Very low | 28.3 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -157.8 | 147 | 138.7 | -121.1 | 168.9 | -140.1 | 0 | 0 | 115.4 | ||||
| 720 | K | 24 | Very low | 28.5 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | 177.6 | 173.5 | -173.2 | -112.3 | -166 | 179 | 178.2 | 0 | 107.2 | ||||
| 721 | P | 34.6 | Very low | 28.6 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | -134.7 | 169.3 | -51.3 | 39.2 | -22.4 | 0 | 0 | 0 | 113.7 | |||||
| 722 | S | 29.3 | Very low | 28.6 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -177.5 | 131.6 | 157.1 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 723 | I | 24.9 | Very low | 28.7 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | cis | 72.8 | 104.3 | 43.6 | -54 | 174.3 | 0 | 0 | 0 | 114.5 | ||||
| 724 | V | 28.6 | Very low | 28.6 | Very low | 144 Ų | 144 | 145 Ų | 145 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | trans | -151.3 | 144.5 | 146.1 | 176.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 725 | H | 26.1 | Very low | 28.7 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | trans | -104.6 | 155.8 | 172.3 | -67.5 | -103.3 | 0 | 0 | 0 | 112.3 | ||||
| 726 | S | 29.5 | Very low | 28.5 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -167.6 | 165.8 | 137.9 | 55.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 727 | S | 25.3 | Very low | 28.7 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -146 | 145.2 | -165.6 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 728 | S | 32.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -163.4 | 145.8 | 153.1 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 729 | Q | 25 | Very low | 28.8 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -94.3 | 175.9 | 163.9 | -68.9 | -176.3 | -34.6 | 0 | 0 | 110 | ||||
| 730 | P | 32.3 | Very low | 29 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | -136.2 | 176.6 | 99.9 | 37.9 | -27.5 | 0 | 0 | 0 | 114.7 | |||||
| 731 | Q | 25.5 | Very low | 29.1 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -113.8 | 148.9 | -173.5 | -54.7 | 168.1 | -55.9 | 0 | 0 | 113 | ||||
| 732 | S | 30.9 | Very low | 28.5 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -163.8 | 105.8 | 150 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 733 | Q | 26.5 | Very low | 28.4 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | 67.4 | 98.9 | 87.8 | -72.4 | -174.9 | -1.2 | 0 | 0 | 114.4 | |||||
| 734 | H | 31 | Very low | 28.3 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | 178.5 | 124 | 120.3 | -104.5 | -79.1 | 0 | 0 | 0 | 112.5 | |||||
| 735 | T | 29.6 | Very low | 28.3 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | 29.7 | 144 | 127.5 | 60.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 736 | D | 29.3 | Very low | 28.3 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | -164.4 | 163.8 | 8.4 | -126.2 | -33 | 0 | 0 | 0 | 114.3 | ||||
| 737 | M | 29.5 | Very low | 28.1 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | 57.4 | 148.9 | 162.7 | -55.1 | -63.4 | -88.9 | 0 | 0 | 118.8 | ||||
| 738 | D | 32.1 | Very low | 28.2 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -136.7 | 177.5 | 9.2 | -140.7 | -37.4 | 0 | 0 | 0 | 113.3 | ||||
| 739 | R | 27.7 | Very low | 27.8 | Very low | 229 Ų | 229 | 144.5 Ų | 144.5 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -97 | 159.4 | -151.5 | -89.4 | -174.5 | 168.3 | -169.9 | -1.6 | 119.2 | ||||
| 740 | P | 34.9 | Very low | 27.9 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | trans | -105.9 | -168.6 | 177.1 | 44 | -37.1 | 0 | 0 | 0 | 113.2 | ||||
| 741 | C | 26.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | trans | -125.3 | 150.6 | 155.9 | -83.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 742 | K | 22.4 | Very low | 27.6 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -140.5 | 153 | -178.6 | -66.2 | -178 | 176.8 | -175.3 | 0 | 110.5 | ||||
| 743 | L | 27 | Very low | 27.5 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -157.1 | 119.1 | 144.8 | -90.4 | 127.2 | 0 | 0 | 0 | 105.9 | ||||
| 744 | N | 23 | Very low | 27.5 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | cis | 79 | 133.1 | 41.9 | -76.1 | 35.5 | 0 | 0 | 0 | 115.1 | ||||
| 745 | G | 28.3 | Very low | 27.9 | Very low | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 120.5 | 72.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 746 | E | 26 | Very low | 28.7 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 76.6 | 105.3 | 74.1 | -66.2 | -161.6 | 147.6 | 0 | 0 | 116.5 | |||||
| 747 | V | 25.6 | Very low | 29.9 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 51.7 | 111.6 | 138.5 | -170 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 748 | S | 26.2 | Very low | 31.5 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | -165.4 | 148.7 | 124.7 | 30 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 749 | N | 23.7 | Very low | 33.8 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | -102.2 | 108.8 | 178 | -81 | -20.6 | 0 | 0 | 0 | 110.6 | ||||
| 750 | T | 28.1 | Very low | 36.7 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | -139.9 | 152.6 | 159.1 | 42 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 751 | A | 26.1 | Very low | 39.3 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 79% | 0.793 | 68% | 0.681 | S | S | * | * | trans | -80.5 | 126.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 752 | D | 25.7 | Very low | 42.5 | Very low | 151 Ų | 151 | 114.3 Ų | 114.3 | 81% | 0.807 | 65% | 0.65 | S | S | * | * | trans | -126.4 | 118.6 | 159.2 | -99 | -45.2 | 0 | 0 | 0 | 108.1 | S754 | D752-S754 PolarHBondContact O-N 2.96Š| ||
| 753 | T | 27 | Very low | 45.9 | Very low | 143 Ų | 143 | 106.3 Ų | 106.3 | 88% | 0.877 | 62% | 0.616 | S | S | * | * | trans | -98.5 | 67.1 | 178 | -51.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 754 | S | 27 | Very low | 49.1 | Very low | 90 Ų | 90 | 98.2 Ų | 98.2 | 63% | 0.629 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138.9 | 172.3 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | D752 Q756 | D752-S754 PolarHBondContact O-N 2.96Å; S754-Q756 PolarHBondContact O-N 2.82Å |
| 755 | P | 40.2 | Very low | 52.6 | Low | 111 Ų | 111 | 94.2 Ų | 94.2 | 72% | 0.721 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -64 | 122.3 | 174.8 | 26.4 | -32.8 | 0 | 0 | 0 | 109.1 | T757 | P755-T757 PolarHBondContact O-N 2.97Š|
| 756 | Q | 46.6 | Very low | 55.9 | Low | 181 Ų | 181 | 91.5 Ų | 91.5 | 85% | 0.846 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 131.9 | 178.6 | -69.1 | -170.5 | -16.8 | 0 | 0 | 109.8 | S754 | S754-Q756 PolarHBondContact O-N 2.82Š|
| 757 | T | 53.1 | Low | 59.2 | Low | 99 Ų | 99 | 89.6 Ų | 89.6 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 132.9 | 179.5 | 46.7 | 0 | 0 | 0 | 0 | 110.3 | G661 P755 R759 | G661-T757 VanDerWaalsContact CA-CG2 3.48Å; P755-T757 PolarHBondContact O-N 2.97Å; T757-R759 PolarHBondContact O-N 3.17Å |
| 758 | P | 64 | Low | 62.6 | Low | 14 Ų | 14 | 84 Ų | 84 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 133 | -176.9 | 24.7 | -33.7 | 0 | 0 | 0 | 111 | L664 Q668 L1115 | L664-P758 HydrophobicContact CB-CG 3.8Å; L664-P758 VanDerWaalsContact CD1-O 3.3Å; L664-P758 WeakPolarHBondContact CD1-O 3.46Å; Q668-P758 VanDerWaalsContact CD-CB 3.42Å; Q668-P758 HydrophobicContact CG-CB 4.36Å; Q668-P758 HydrophobicContact CG-CG 4.39Å; Q668-P758 VanDerWaalsContact OE1-CB 3.26Å; P758-L1115 HydrophobicContact CB-CD2 4.43Å |
| 759 | R | 79.6 | Confident | 65.9 | Low | 170 Ų | 170 | 82.5 Ų | 82.5 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | trans | -133.1 | 143.1 | -174.6 | -174.2 | -178.4 | 175.8 | 175 | 1.7 | 110.3 | T757 I761 P1116 | T757-R759 PolarHBondContact O-N 3.17Å; R759-I761 PolarHBondContact O-N 3.49Å; R759-P1116 WeakPolarHBondContact O-CD 3.33Å | ||
| 760 | Y | 89 | Confident | 69.3 | Low | 3 Ų | 3 | 78.6 Ų | 78.6 | 1% | 0.012 | 44% | 0.443 | C | S | . | . | trans | -65.4 | 130.5 | 171.1 | -79 | -96.8 | 0 | 0 | 0 | 110.8 | L664 L1082 L1099 F1101 W1113 A1114 L1115 | L664-Y760 HydrophobicContact CD2-CE2 4.37Å; Y760-L1082 HydrophobicContact CD2-CB 4.05Å; Y760-L1082 HydrophobicContact CD2-CD1 3.96Å; Y760-L1082 HydrophobicContact CD2-CD2 3.88Å; Y760-L1082 HydrophobicContact CD2-CG 4.19Å; Y760-L1082 HydrophobicContact CE2-CD1 3.66Å; Y760-L1082 HydrophobicContact CE2-CD2 3.86Å; Y760-L1082 HydrophobicContact CE2-CG 4.25Å; Y760-L1099 VanDerWaalsContact OH-CD2 3.26Å; Y760-L1099 WeakPolarHBondContact OH-CD2 3.22Å; Y760-L1099 WeakPolarHBondContact OH-CG 3.23Å; Y760-L1099 PolarHBondContact OH-O 3.02Å; Y760-F1101 HydrophobicContact CD1-CD1 4.09Å; Y760-F1101 AromaticContact CD1-CE1 3.43Å; Y760-F1101 HydrophobicContact CD1-CE1 3.43Å; Y760-F1101 VanDerWaalsContact CD1-CE1 3.43Å; Y760-F1101 HydrophobicContact CD1-CZ 4.21Å; Y760-F1101 HydrophobicContact CD2-CE1 4.37Å; Y760-F1101 AromaticContact CE1-CD1 3.83Å; Y760-F1101 HydrophobicContact CE1-CD1 3.83Å; Y760-F1101 AromaticContact CE1-CE1 3.51Å; Y760-F1101 HydrophobicContact CE1-CE1 3.51Å; Y760-F1101 HydrophobicContact CE2-CE1 4.44Å; Y760-F1101 AromaticContact CG-CE1 3.89Å; Y760-F1101 HydrophobicContact CG-CE1 3.89Å; Y760-F1101 HydrophobicContact CG-CZ 4.38Å; Y760-W1113 HydrophobicContact CD1-CB 4.07Å; Y760-A1114 WeakPolarHBondContact CA-O 3.31Å; Y760-L1115 HydrophobicContact CD1-CG 4.2Å; Y760-L1115 HydrophobicContact CD2-CD2 3.69Å; Y760-L1115 HydrophobicContact CD2-CG 3.97Å; Y760-L1115 HydrophobicContact CE1-CD1 4.48Å; Y760-L1115 HydrophobicContact CE1-CG 3.94Å; Y760-L1115 HydrophobicContact CE2-CD1 3.92Å; Y760-L1115 HydrophobicContact CE2-CD2 3.76Å; Y760-L1115 HydrophobicContact CE2-CG 3.69Å; Y760-L1115 HydrophobicContact CG-CD2 4.14Å; Y760-L1115 HydrophobicContact CG-CG 4.22Å | ||
| 761 | I | 90.6 | Very high | 72.6 | Confident | 22 Ų | 22 | 74 Ų | 74 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 147.2 | 178.7 | 62.5 | -177.6 | 0 | 0 | 0 | 110.5 | R759 V763 S805 H808 W1113 A1114 P1116 | R759-I761 PolarHBondContact O-N 3.49Å; I761-V763 PolarHBondContact O-N 3.17Å; I761-S805 VanDerWaalsContact CD1-O 3.3Å; I761-S805 WeakPolarHBondContact CD1-O 3.41Å; I761-H808 HydrophobicContact CD1-CB 3.91Å; I761-W1113 WeakPolarHBondContact O-CA 3.11Å; I761-A1114 PolarHBondContact N-O 3.46Å; I761-A1114 PolarHBondContact O-N 3.16Å; I761-P1116 HydrophobicContact CD1-CB 4.13Å |
| 762 | P | 93.3 | Very high | 76 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 120.9 | 174.5 | 29.6 | -33.7 | 0 | 0 | 0 | 109.5 | A810 I1111 S1112 W1113 | P762-A810 HydrophobicContact CB-CB 3.99Å; P762-A810 HydrophobicContact CG-CB 4.21Å; P762-A810 VanDerWaalsContact O-CB 3.3Å; P762-A810 WeakPolarHBondContact O-CB 3.16Å; P762-I1111 HydrophobicContact CB-CG2 3.66Å; P762-S1112 CarbonylContact C-O 3.57Å; P762-S1112 WeakPolarHBondContact CA-O 3.44Å; P762-W1113 HydrophobicContact CB-CE3 4.41Å; P762-W1113 HydrophobicContact CB-CZ3 4.22Å; P762-W1113 HydrophobicContact CG-CZ3 4.44Å |
| 763 | V | 93.4 | Very high | 79.4 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -47.5 | -179.6 | -173 | 0 | 0 | 0 | 0 | 110.6 | I761 P799 V801 L804 H808 A810 T811 S1112 A1114 | I761-V763 PolarHBondContact O-N 3.17Å; V763-P799 HydrophobicContact CB-CG 4.24Å; V763-P799 HydrophobicContact CG1-CB 3.79Å; V763-P799 HydrophobicContact CG1-CG 3.62Å; V763-V801 HydrophobicContact CG1-CG1 4.4Å; V763-V801 HydrophobicContact CG2-CG1 4.33Å; V763-L804 HydrophobicContact CG1-CD1 4.48Å; V763-L804 HydrophobicContact CG1-CD2 4.04Å; V763-L804 HydrophobicContact CG2-CD1 3.64Å; V763-L804 HydrophobicContact CG2-CD2 4.38Å; V763-H808 WeakPolarHBondContact CA-NE2 3.4Å; V763-H808 PolarHBondContact O-NE2 3.47Å; V763-A810 WeakPolarHBondContact O-CA 3.21Å; V763-T811 PolarHBondContact O-N 2.82Å; V763-T811 VanDerWaalsContact O-N 3.1Å; V763-S1112 PolarHBondContact N-O 3.27Å; V763-A1114 HydrophobicContact CG2-CB 3.76Å |
| 764 | T | 95.6 | Very high | 82.7 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 145.9 | 175.6 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | P799 T811 P813 I1111 S1112 | T764-P799 HydrophobicContact CG2-CB 3.97Å; T764-P799 HydrophobicContact CG2-CG 3.82Å; T764-T811 CarbonylContact C-O 3.57Å; T764-T811 WeakPolarHBondContact CA-O 3.3Å; T764-T811 WeakPolarHBondContact CB-O 3.5Å; T764-P813 HydrophobicContact CG2-CB 4.05Å; T764-I1111 WeakPolarHBondContact O-CA 3.38Å; T764-S1112 PolarHBondContact O-N 2.85Å; T764-S1112 WeakPolarHBondContact OG1-CB 3.27Å |
| 765 | I | 96.6 | Very high | 86.1 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126.4 | 175.6 | -58.9 | 175.8 | 0 | 0 | 0 | 108.7 | E767 A810 T811 P813 I1111 | I765-E767 HydrophobicContact CG2-CG 4.12Å; I765-A810 HydrophobicContact CD1-CB 3.75Å; I765-A810 HydrophobicContact CG1-CB 3.8Å; I765-T811 PolarHBondContact N-O 3.26Å; I765-P813 VanDerWaalsContact O-CD 3.23Å; I765-P813 WeakPolarHBondContact O-CD 3.4Å; I765-I1111 HydrophobicContact CG1-CD1 4.39Å; I765-I1111 HydrophobicContact CG1-CG1 4.12Å; I765-I1111 HydrophobicContact CG1-CG2 4.25Å; I765-I1111 HydrophobicContact CG2-CG1 4.34Å |
| 766 | L | 96.1 | Very high | 88.8 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.4 | 176 | -178.9 | 67.2 | 0 | 0 | 0 | 109.6 | V786 R794 P813 V815 S1109 V1110 | L766-V786 HydrophobicContact CD2-CB 4.4Å; L766-V786 HydrophobicContact CD2-CG1 4.34Å; L766-V786 HydrophobicContact CD2-CG2 4.02Å; L766-R794 VanDerWaalsContact CD1-NH1 3.25Å; L766-P813 HydrophobicContact CB-CG 3.87Å; L766-P813 HydrophobicContact CD1-CG 4.05Å; L766-P813 HydrophobicContact CG-CG 4.42Å; L766-V815 HydrophobicContact CD1-CG2 4.07Å; L766-S1109 CarbonylContact O-C 3.57Å; L766-S1109 WeakPolarHBondContact O-CA 3.23Å; L766-V1110 HydrophobicContact CB-CB 4.27Å; L766-V1110 PolarHBondContact N-O 2.71Å; L766-V1110 PolarHBondContact O-N 3.44Å |
| 767 | E | 96.2 | Very high | 91.1 | Very high | 144 Ų | 144 | 41.5 Ų | 41.5 | 67% | 0.673 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 158.3 | 179.5 | -61.8 | -171.5 | 161.7 | 0 | 0 | 113.3 | I765 R794 K1108 | I765-E767 HydrophobicContact CG2-CG 4.12Å; E767-R794 PolarHBondContact O-NH1 3.49Å; E767-R794 PolarHBondContact O-NH2 3.11Å; E767-K1108 WeakPolarHBondContact CA-O 3.44Å |
| 768 | D | 95.8 | Very high | 93.1 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 10% | 0.102 | 18% | 0.184 | C | C | . | . | trans | -142.9 | 166.8 | 172.7 | -173.6 | 54.8 | 0 | 0 | 0 | 112.9 | Q770 I772 S790 R794 K1108 | D768-Q770 PolarHBondContact O-N 2.92Å; D768-Q770 PolarHBondContact OD2-N 3.1Å; D768-Q770 VanDerWaalsContact OD2-N 3.12Å; D768-I772 HydrophobicContact CB-CD1 3.87Å; D768-I772 HydrophobicContact CB-CG1 3.94Å; D768-S790 VanDerWaalsContact CG-OG 3.23Å; D768-S790 PolarHBondContact OD1-OG 2.9Å; D768-S790 WeakPolarHBondContact OD2-CB 3.4Å; D768-S790 PolarHBondContact OD2-OG 2.92Å; D768-R794 IonicContact OD1-CZ 3.7Å; D768-R794 IonicContact OD1-NH2 3.13Å; D768-R794 PolarHBondContact OD1-NH2 3.19Å; D768-K1108 PolarHBondContact N-O 2.9Å; D768-K1108 VanDerWaalsContact O-CB 3.22Å; D768-K1108 WeakPolarHBondContact O-CB 3.3Å; D768-K1108 WeakPolarHBondContact O-CD 3.49Å | ||
| 769 | S | 95.5 | Very high | 94.4 | Very high | 79 Ų | 79 | 38.4 Ų | 38.4 | 55% | 0.552 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -63.9 | -23.6 | 174.7 | 60.6 | 0 | 0 | 0 | 0 | 114.7 | S790 | S769-S790 VanDerWaalsContact OG-CB 3.29Å; S769-S790 WeakPolarHBondContact OG-CB 3.32Å |
| 770 | Q | 96.6 | Very high | 95 | Very high | 87 Ų | 87 | 32.1 Ų | 32.1 | 41% | 0.407 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -140.6 | 164.1 | -174.9 | -62.3 | -168.9 | 30.7 | 0 | 0 | 111.5 | D768 I772 N789 K1108 | D768-Q770 PolarHBondContact O-N 2.92Å; D768-Q770 PolarHBondContact OD2-N 3.1Å; D768-Q770 VanDerWaalsContact OD2-N 3.12Å; Q770-I772 PolarHBondContact O-N 2.93Å; Q770-N789 HydrophobicContact CB-CB 3.81Å; Q770-N789 PolarHBondContact OE1-O 2.86Å; Q770-K1108 WeakPolarHBondContact O-CB 3.35Å |
| 771 | P | 97.1 | Very high | 95.1 | Very high | 34 Ų | 34 | 32 Ų | 32 | 22% | 0.221 | 18% | 0.175 | C | C | . | . | trans | -44.5 | 133.4 | 175.9 | -35.1 | 37.4 | 0 | 0 | 0 | 113.9 | N789 | P771-N789 WeakPolarHBondContact O-CB 3.26Å; P771-N789 PolarHBondContact O-N 2.89Å | ||
| 772 | I | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.2 | 176.5 | -55.9 | -177.6 | 0 | 0 | 0 | 107.9 | D768 Q770 V786 G787 S1104 S1105 K1108 V1110 | D768-I772 HydrophobicContact CB-CD1 3.87Å; D768-I772 HydrophobicContact CB-CG1 3.94Å; Q770-I772 PolarHBondContact O-N 2.93Å; I772-V786 HydrophobicContact CD1-CG1 4.44Å; I772-V786 HydrophobicContact CG2-CG1 3.32Å; I772-G787 WeakPolarHBondContact CG2-O 3.37Å; I772-S1104 WeakPolarHBondContact O-CB 3.29Å; I772-S1105 PolarHBondContact N-O 3.45Å; I772-K1108 VanDerWaalsContact CD1-O 3.23Å; I772-K1108 WeakPolarHBondContact CD1-O 3.4Å; I772-V1110 HydrophobicContact CB-CG2 4.04Å; I772-V1110 HydrophobicContact CD1-CB 4.31Å; I772-V1110 HydrophobicContact CD1-CG2 4Å; I772-V1110 HydrophobicContact CG2-CG2 3.5Å; I772-V1110 VanDerWaalsContact CG2-CG2 3.5Å |
| 773 | R | 96.3 | Very high | 95.3 | Very high | 52 Ų | 52 | 38.1 Ų | 38.1 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -54.8 | -169.5 | -75.1 | -71.8 | -179 | -168.6 | 4.6 | 111.7 | G787 N789 I827 I1090 S1104 | R773-G787 PolarHBondContact N-O 2.83Å; R773-N789 VanDerWaalsContact CG-OD1 3.3Å; R773-N789 WeakPolarHBondContact CG-OD1 3.49Å; R773-N789 PolarHBondContact NE-OD1 3.13Å; R773-I827 VanDerWaalsContact CB-O 3.23Å; R773-I827 WeakPolarHBondContact CB-O 3.48Å; R773-I827 WeakPolarHBondContact CG-O 3.41Å; R773-I1090 VanDerWaalsContact O-CG2 3.26Å; R773-I1090 WeakPolarHBondContact O-CG2 3.45Å; R773-S1104 PolarHBondContact O-OG 2.99Å |
| 774 | C | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150 | -164 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | G787 Y828 V830 | C774-G787 PolarHBondContact N-O 2.86Å; C774-G787 PolarHBondContact O-N 3.29Å; C774-G787 VanDerWaalsContact SG-CA 3.57Å; C774-Y828 WeakPolarHBondContact CB-O 3.24Å; C774-V830 HydrophobicContact CB-CG1 3.96Å |
| 775 | V | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 140.6 | 177 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | Y784 A785 V786 Q1091 R1093 I1102 | V775-Y784 HydrophobicContact CG2-CD2 3.96Å; V775-A785 VanDerWaalsContact CA-O 3.3Å; V775-A785 WeakPolarHBondContact CA-O 3.43Å; V775-A785 WeakPolarHBondContact CG2-O 3.34Å; V775-V786 HydrophobicContact CG2-CG2 4.37Å; V775-Q1091 HydrophobicContact CG1-CB 4.4Å; V775-Q1091 VanDerWaalsContact N-OE1 3.15Å; V775-Q1091 PolarHBondContact O-OE1 3.08Å; V775-R1093 HydrophobicContact CG1-CG 3.98Å; V775-R1093 WeakPolarHBondContact O-CG 3.46Å; V775-R1093 PolarHBondContact O-NE 2.91Å; V775-R1093 VanDerWaalsContact O-NE 3.12Å; V775-I1102 HydrophobicContact CG1-CG2 4.32Å; V775-I1102 HydrophobicContact CG2-CB 4.39Å; V775-I1102 HydrophobicContact CG2-CG2 3.85Å |
| 776 | A | 97 | Very high | 95.6 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 130.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y784 A785 V830 W832 | A776-Y784 CarbonylContact O-C 3.56Å; A776-Y784 WeakPolarHBondContact O-CA 3.49Å; A776-A785 PolarHBondContact N-O 3.16Å; A776-A785 VanDerWaalsContact N-O 3.08Å; A776-A785 PolarHBondContact O-N 2.72Å; A776-V830 HydrophobicContact CB-CG1 3.95Å; A776-V830 WeakPolarHBondContact CB-O 3.39Å; A776-W832 PolarHBondContact O-NE1 2.93Å |
| 777 | F | 96.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 35 Ų | 35 | 11% | 0.114 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 141.7 | 167.1 | -79.8 | -79.7 | 0 | 0 | 0 | 110.8 | Y798 W832 R1093 W1094 H1095 I1102 | F777-Y798 AromaticContact CE1-CD2 3.51Å; F777-Y798 HydrophobicContact CE1-CD2 3.51Å; F777-Y798 AromaticContact CE1-CE2 3.76Å; F777-Y798 HydrophobicContact CE1-CE2 3.76Å; F777-Y798 HydrophobicContact CE1-CG 4.13Å; F777-Y798 HydrophobicContact CZ-CD2 4.04Å; F777-Y798 AromaticContact CZ-CE2 3.82Å; F777-Y798 HydrophobicContact CZ-CE2 3.82Å; F777-W832 VanDerWaalsContact C-CD1 3.5Å; F777-R1093 HydrophobicContact CD2-CB 4.12Å; F777-R1093 HydrophobicContact CE2-CB 4.26Å; F777-W1094 WeakPolarHBondContact CD2-O 3.41Å; F777-W1094 VanDerWaalsContact CE2-C 3.49Å; F777-W1094 VanDerWaalsContact CE2-O 3.31Å; F777-W1094 WeakPolarHBondContact CE2-O 3.31Å; F777-H1095 HydrophobicContact CE1-CB 4.05Å; F777-H1095 AromaticContact CE1-CD2 3.56Å; F777-H1095 HydrophobicContact CE2-CB 4.11Å; F777-H1095 HydrophobicContact CZ-CB 3.68Å; F777-I1102 HydrophobicContact CE1-CD1 3.69Å; F777-I1102 HydrophobicContact CE1-CG1 4.38Å; F777-I1102 HydrophobicContact CE2-CB 4.33Å; F777-I1102 HydrophobicContact CE2-CD1 3.93Å; F777-I1102 HydrophobicContact CE2-CG1 3.98Å; F777-I1102 HydrophobicContact CZ-CB 4.4Å; F777-I1102 HydrophobicContact CZ-CD1 3.34Å; F777-I1102 HydrophobicContact CZ-CG1 3.57Å |
| 778 | H | 95 | Very high | 95.7 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | trans | -66.8 | 148.2 | 161.1 | 179.5 | -97.8 | 0 | 0 | 0 | 109.2 | S780 G781 L783 W832 G836 P855 | H778-S780 PolarHBondContact CE1-OG 2.71Å; H778-S780 PolarHBondContact ND1-N 2.87Å; H778-S780 PolarHBondContact ND1-OG 2.93Å; H778-S780 PolarHBondContact O-N 2.88Å; H778-S780 VanDerWaalsContact O-N 3.08Å; H778-G781 PolarHBondContact O-N 3.1Å; H778-L783 HydrophobicContact CB-CB 3.74Å; H778-L783 WeakPolarHBondContact CB-O 3.4Å; H778-L783 PolarHBondContact N-O 3.18Å; H778-W832 HydrophobicContact CB-CD2 4.27Å; H778-W832 HydrophobicContact CB-CZ2 4.33Å; H778-W832 AromaticContact CD2-CD2 3.94Å; H778-W832 AromaticContact CD2-CE3 3.64Å; H778-W832 AromaticContact CD2-CZ3 3.77Å; H778-G836 VanDerWaalsContact NE2-CA 3.29Å; H778-G836 WeakPolarHBondContact NE2-CA 3.26Å; H778-P855 PolarHBondContact CE1-O 3.39Å | ||
| 779 | P | 91 | Very high | 95.7 | Very high | 41 Ų | 41 | 28.4 Ų | 28.4 | 27% | 0.266 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37 | -177.3 | -29.6 | 36.2 | 0 | 0 | 0 | 114.6 | G781 S833 P834 Y1097 | P779-G781 PolarHBondContact O-N 3.49Å; P779-S833 VanDerWaalsContact CG-O 3.3Å; P779-S833 WeakPolarHBondContact CG-O 3.38Å; P779-P834 WeakPolarHBondContact CG-O 3.31Å; P779-Y1097 WeakPolarHBondContact O-CE2 3.05Å; P779-Y1097 PolarHBondContact O-OH 2.76Å |
| 780 | S | 91.2 | Very high | 95.8 | Very high | 39 Ų | 39 | 25.1 Ų | 25.1 | 27% | 0.273 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -3.1 | 177.6 | 74.7 | 0 | 0 | 0 | 0 | 115.4 | H778 R782 | H778-S780 PolarHBondContact CE1-OG 2.71Å; H778-S780 PolarHBondContact ND1-N 2.87Å; H778-S780 PolarHBondContact ND1-OG 2.93Å; H778-S780 PolarHBondContact O-N 2.88Å; H778-S780 VanDerWaalsContact O-N 3.08Å; S780-R782 PolarHBondContact O-N 3.33Å |
| 781 | G | 91.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 72.2 | -27.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H778 P779 L783 Y798 H1095 P1096 | H778-G781 PolarHBondContact O-N 3.1Å; P779-G781 PolarHBondContact O-N 3.49Å; G781-L783 PolarHBondContact O-N 2.83Å; G781-Y798 WeakPolarHBondContact O-CB 3.34Å; G781-H1095 WeakPolarHBondContact CA-NE2 3.29Å; G781-H1095 PolarHBondContact O-NE2 3.39Å; G781-P1096 VanDerWaalsContact CA-CG 3.5Å |
| 782 | R | 93.2 | Very high | 95.7 | Very high | 184 Ų | 184 | 24 Ų | 24 | 69% | 0.694 | 11% | 0.113 | S | C | * | . | S | Bend | trans | -60.5 | -16.4 | -177.5 | -61.1 | 179.9 | -174.9 | 179.7 | 0.8 | 115.1 | S780 Y798 | S780-R782 PolarHBondContact O-N 3.33Å; R782-Y798 WeakPolarHBondContact O-CB 3.37Å; R782-Y798 PolarHBondContact O-N 2.95Å |
| 783 | L | 94.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 24 Ų | 24 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.1 | -171.8 | -55.6 | 170.4 | 0 | 0 | 0 | 110.3 | H778 G781 C796 L816 G858 | H778-L783 HydrophobicContact CB-CB 3.74Å; H778-L783 WeakPolarHBondContact CB-O 3.4Å; H778-L783 PolarHBondContact N-O 3.18Å; G781-L783 PolarHBondContact O-N 2.83Å; L783-C796 CarbonylContact C-O 3.56Å; L783-C796 WeakPolarHBondContact CA-O 3.24Å; L783-L816 HydrophobicContact CD2-CD1 3.45Å; L783-L816 VanDerWaalsContact CD2-CD1 3.45Å; L783-G858 VanDerWaalsContact CD1-CA 3.45Å |
| 784 | Y | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 146.1 | 169.2 | 65.5 | -81.2 | 0 | 0 | 0 | 111.9 | V775 A776 V786 C796 Y798 P813 I1102 V1110 | V775-Y784 HydrophobicContact CG2-CD2 3.96Å; A776-Y784 CarbonylContact O-C 3.56Å; A776-Y784 WeakPolarHBondContact O-CA 3.49Å; Y784-V786 HydrophobicContact CD2-CG2 3.62Å; Y784-V786 HydrophobicContact CE2-CG2 3.65Å; Y784-C796 HydrophobicContact CD1-CB 4.13Å; Y784-C796 HydrophobicContact CD2-CB 4.31Å; Y784-C796 HydrophobicContact CE1-CB 3.66Å; Y784-C796 HydrophobicContact CE2-CB 3.86Å; Y784-C796 HydrophobicContact CG-CB 4.44Å; Y784-C796 PolarHBondContact N-O 3.06Å; Y784-C796 PolarHBondContact O-N 2.93Å; Y784-Y798 HydrophobicContact CD1-CD2 4.25Å; Y784-Y798 HydrophobicContact CE1-CD2 4.45Å; Y784-P813 WeakPolarHBondContact OH-CB 3.42Å; Y784-P813 VanDerWaalsContact OH-CG 3.32Å; Y784-P813 WeakPolarHBondContact OH-CG 3.43Å; Y784-I1102 HydrophobicContact CD1-CD1 3.68Å; Y784-I1102 HydrophobicContact CD2-CD1 3.76Å; Y784-I1102 HydrophobicContact CE1-CD1 3.99Å; Y784-I1102 HydrophobicContact CE2-CD1 4.07Å; Y784-I1102 HydrophobicContact CG-CD1 3.55Å; Y784-V1110 HydrophobicContact CE2-CG1 3.99Å |
| 785 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 147.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | V775 A776 R794 V795 V830 W832 I839 | V775-A785 VanDerWaalsContact CA-O 3.3Å; V775-A785 WeakPolarHBondContact CA-O 3.43Å; V775-A785 WeakPolarHBondContact CG2-O 3.34Å; A776-A785 PolarHBondContact N-O 3.16Å; A776-A785 VanDerWaalsContact N-O 3.08Å; A776-A785 PolarHBondContact O-N 2.72Å; A785-R794 CarbonylContact C-O 3.55Å; A785-R794 WeakPolarHBondContact CA-O 3.21Å; A785-V795 HydrophobicContact CB-CG2 4.45Å; A785-V830 HydrophobicContact CB-CG2 3.85Å; A785-W832 HydrophobicContact CB-CZ2 3.83Å; A785-I839 HydrophobicContact CB-CD1 3.4Å |
| 786 | V | 97.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.024 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.3 | -174.1 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | L766 I772 V775 Y784 R794 V1110 | L766-V786 HydrophobicContact CD2-CB 4.4Å; L766-V786 HydrophobicContact CD2-CG1 4.34Å; L766-V786 HydrophobicContact CD2-CG2 4.02Å; I772-V786 HydrophobicContact CD1-CG1 4.44Å; I772-V786 HydrophobicContact CG2-CG1 3.32Å; V775-V786 HydrophobicContact CG2-CG2 4.37Å; Y784-V786 HydrophobicContact CD2-CG2 3.62Å; Y784-V786 HydrophobicContact CE2-CG2 3.65Å; V786-R794 HydrophobicContact CB-CB 4.46Å; V786-R794 PolarHBondContact N-O 2.72Å; V786-R794 PolarHBondContact O-N 3.27Å; V786-V1110 HydrophobicContact CG1-CG2 4.04Å; V786-V1110 HydrophobicContact CG2-CG1 4.35Å |
| 787 | G | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | I772 R773 C774 | I772-G787 WeakPolarHBondContact CG2-O 3.37Å; R773-G787 PolarHBondContact N-O 2.83Å; C774-G787 PolarHBondContact N-O 2.86Å; C774-G787 PolarHBondContact O-N 3.29Å; C774-G787 VanDerWaalsContact SG-CA 3.57Å |
| 788 | S | 97.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 157.7 | -164.8 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | S790 K791 F792 I827 | S788-S790 VanDerWaalsContact C-N 3.26Å; S788-S790 PolarHBondContact O-N 3.37Å; S788-S790 PolarHBondContact OG-OG 3.09Å; S788-K791 PolarHBondContact O-N 3.31Å; S788-F792 PolarHBondContact N-O 2.9Å; S788-F792 PolarHBondContact OG-N 2.91Å; S788-F792 VanDerWaalsContact OG-N 3.13Å; S788-F792 PolarHBondContact OG-O 3.08Å; S788-I827 PolarHBondContact O-N 2.97Å; S788-I827 VanDerWaalsContact O-N 3.07Å |
| 789 | N | 96.8 | Very high | 95 | Very high | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.9 | 171.7 | -80.8 | -0.1 | 0 | 0 | 0 | 112.8 | Q770 P771 R773 K791 S826 | Q770-N789 HydrophobicContact CB-CB 3.81Å; Q770-N789 PolarHBondContact OE1-O 2.86Å; P771-N789 WeakPolarHBondContact O-CB 3.26Å; P771-N789 PolarHBondContact O-N 2.89Å; R773-N789 VanDerWaalsContact CG-OD1 3.3Å; R773-N789 WeakPolarHBondContact CG-OD1 3.49Å; R773-N789 PolarHBondContact NE-OD1 3.13Å; N789-K791 PolarHBondContact O-N 3.34Å; N789-S826 WeakPolarHBondContact CA-OG 3.17Å; N789-S826 PolarHBondContact O-OG 2.85Å |
| 790 | S | 96 | Very high | 94.8 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 8% | 0.077 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 0.3 | 176.4 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | D768 S769 S788 F792 | D768-S790 VanDerWaalsContact CG-OG 3.23Å; D768-S790 PolarHBondContact OD1-OG 2.9Å; D768-S790 WeakPolarHBondContact OD2-CB 3.4Å; D768-S790 PolarHBondContact OD2-OG 2.92Å; S769-S790 VanDerWaalsContact OG-CB 3.29Å; S769-S790 WeakPolarHBondContact OG-CB 3.32Å; S788-S790 VanDerWaalsContact C-N 3.26Å; S788-S790 PolarHBondContact O-N 3.37Å; S788-S790 PolarHBondContact OG-OG 3.09Å; S790-F792 VanDerWaalsContact C-N 3.27Å; S790-F792 PolarHBondContact O-N 3.5Å; S790-F792 WeakPolarHBondContact OG-CD2 3.48Å |
| 791 | K | 96 | Very high | 94.4 | Very high | 76 Ų | 76 | 28.3 Ų | 28.3 | 33% | 0.33 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 71.9 | 17.5 | 176 | -33.8 | -174 | -175.1 | 177.8 | 0 | 113.9 | S788 N789 K821 Y822 K824 G825 | S788-K791 PolarHBondContact O-N 3.31Å; N789-K791 PolarHBondContact O-N 3.34Å; K791-K821 PolarHBondContact O-N 3.48Å; K791-Y822 PolarHBondContact O-N 2.96Å; K791-K824 WeakPolarHBondContact CD-O 3.38Å; K791-K824 VanDerWaalsContact CE-O 3.31Å; K791-K824 WeakPolarHBondContact CE-O 3.46Å; K791-K824 PolarHBondContact NZ-O 3.24Å; K791-G825 WeakPolarHBondContact CD-O 3.35Å; K791-G825 VanDerWaalsContact CG-O 3.22Å; K791-G825 WeakPolarHBondContact CG-O 3.44Å |
| 792 | F | 95.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | trans | -79.6 | 129.6 | 164.4 | -77.5 | -76.2 | 0 | 0 | 0 | 110.7 | S788 S790 R794 R818 R819 Q820 | S788-F792 PolarHBondContact N-O 2.9Å; S788-F792 PolarHBondContact OG-N 2.91Å; S788-F792 VanDerWaalsContact OG-N 3.13Å; S788-F792 PolarHBondContact OG-O 3.08Å; S790-F792 VanDerWaalsContact C-N 3.27Å; S790-F792 PolarHBondContact O-N 3.5Å; S790-F792 WeakPolarHBondContact OG-CD2 3.48Å; F792-R794 HydrophobicContact CB-CG 4.31Å; F792-R818 HydrophobicContact CD1-CG 3.61Å; F792-R818 HydrophobicContact CE1-CG 3.75Å; F792-R819 WeakPolarHBondContact CA-O 3.31Å; F792-Q820 HydrophobicContact CD1-CB 3.94Å; F792-Q820 HydrophobicContact CD1-CG 4.45Å; F792-Q820 HydrophobicContact CE1-CB 3.47Å; F792-Q820 VanDerWaalsContact CE1-CB 3.47Å; F792-Q820 HydrophobicContact CE1-CG 3.81Å; F792-Q820 HydrophobicContact CZ-CB 4.1Å; F792-Q820 HydrophobicContact CZ-CG 3.9Å | ||
| 793 | L | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.6 | 153.3 | 173.2 | 61.8 | 0 | 0 | 0 | 107.7 | R819 Y822 I827 I839 T841 | L793-R819 HydrophobicContact CB-CB 4.47Å; L793-R819 PolarHBondContact N-O 3.04Å; L793-R819 PolarHBondContact O-N 3.34Å; L793-Y822 HydrophobicContact CB-CD1 3.65Å; L793-Y822 HydrophobicContact CB-CE1 4.38Å; L793-Y822 HydrophobicContact CB-CG 3.88Å; L793-Y822 HydrophobicContact CD2-CD1 3.6Å; L793-Y822 HydrophobicContact CD2-CE1 3.44Å; L793-Y822 VanDerWaalsContact CD2-CE1 3.44Å; L793-Y822 HydrophobicContact CD2-CE2 4.41Å; L793-Y822 HydrophobicContact CD2-CG 4.16Å; L793-Y822 HydrophobicContact CG-CD1 4.25Å; L793-I827 HydrophobicContact CB-CD1 3.92Å; L793-I839 HydrophobicContact CD1-CD1 4.05Å; L793-I839 HydrophobicContact CD2-CD1 4.35Å; L793-T841 HydrophobicContact CD1-CG2 4.09Å; L793-T841 HydrophobicContact CD2-CG2 4.3Å |
| 794 | R | 95.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.5 | 174.7 | -53.2 | -177.7 | -168.4 | 174.5 | 4 | 110.3 | L766 E767 D768 A785 V786 F792 V815 M817 R818 | L766-R794 VanDerWaalsContact CD1-NH1 3.25Å; E767-R794 PolarHBondContact O-NH1 3.49Å; E767-R794 PolarHBondContact O-NH2 3.11Å; D768-R794 IonicContact OD1-CZ 3.7Å; D768-R794 IonicContact OD1-NH2 3.13Å; D768-R794 PolarHBondContact OD1-NH2 3.19Å; A785-R794 CarbonylContact C-O 3.55Å; A785-R794 WeakPolarHBondContact CA-O 3.21Å; V786-R794 HydrophobicContact CB-CB 4.46Å; V786-R794 PolarHBondContact N-O 2.72Å; V786-R794 PolarHBondContact O-N 3.27Å; F792-R794 HydrophobicContact CB-CG 4.31Å; R794-V815 HydrophobicContact CB-CG1 4.36Å; R794-M817 CarbonylContact C-O 3.51Å; R794-M817 VanDerWaalsContact CA-O 3.25Å; R794-M817 WeakPolarHBondContact CA-O 3.35Å; R794-R818 HydrophobicContact CG-CG 4.27Å |
| 795 | V | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.6 | 165.7 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | A785 L816 M817 W832 I839 | A785-V795 HydrophobicContact CB-CG2 4.45Å; V795-L816 PolarHBondContact O-N 3.27Å; V795-M817 HydrophobicContact CB-CB 4.06Å; V795-M817 HydrophobicContact CB-CE 4.46Å; V795-M817 HydrophobicContact CG2-CB 4.4Å; V795-M817 HydrophobicContact CG2-CE 3.81Å; V795-M817 PolarHBondContact N-O 3.41Å; V795-M817 PolarHBondContact O-N 3.41Å; V795-W832 HydrophobicContact CG1-CH2 4.16Å; V795-W832 HydrophobicContact CG1-CZ2 4.14Å; V795-W832 HydrophobicContact CG2-CH2 4.24Å; V795-W832 HydrophobicContact CG2-CZ2 4.26Å; V795-I839 HydrophobicContact CG2-CD1 4.46Å |
| 796 | C | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.6 | -171.9 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | L783 Y784 V814 | L783-C796 CarbonylContact C-O 3.56Å; L783-C796 WeakPolarHBondContact CA-O 3.24Å; Y784-C796 HydrophobicContact CD1-CB 4.13Å; Y784-C796 HydrophobicContact CD2-CB 4.31Å; Y784-C796 HydrophobicContact CE1-CB 3.66Å; Y784-C796 HydrophobicContact CE2-CB 3.86Å; Y784-C796 HydrophobicContact CG-CB 4.44Å; Y784-C796 PolarHBondContact N-O 3.06Å; Y784-C796 PolarHBondContact O-N 2.93Å; C796-V814 CarbonylContact C-O 3.58Å; C796-V814 VanDerWaalsContact CA-O 3.28Å; C796-V814 WeakPolarHBondContact CA-O 3.31Å |
| 797 | Q | 94.4 | Very high | 89.7 | Confident | 94 Ų | 94 | 48.6 Ų | 48.6 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 138.6 | 171.2 | -166.6 | 179.6 | -0.3 | 0 | 0 | 110.5 | V814 L816 | Q797-V814 HydrophobicContact CB-CB 4.13Å; Q797-V814 PolarHBondContact N-O 3.39Å; Q797-L816 HydrophobicContact CB-CD1 4.36Å |
| 798 | Y | 93.8 | Very high | 89.1 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 133.2 | 173.3 | -167.7 | -106.1 | 0 | 0 | 0 | 110.6 | F777 G781 R782 Y784 V801 H1095 S1100 I1102 S1112 | F777-Y798 AromaticContact CE1-CD2 3.51Å; F777-Y798 HydrophobicContact CE1-CD2 3.51Å; F777-Y798 AromaticContact CE1-CE2 3.76Å; F777-Y798 HydrophobicContact CE1-CE2 3.76Å; F777-Y798 HydrophobicContact CE1-CG 4.13Å; F777-Y798 HydrophobicContact CZ-CD2 4.04Å; F777-Y798 AromaticContact CZ-CE2 3.82Å; F777-Y798 HydrophobicContact CZ-CE2 3.82Å; G781-Y798 WeakPolarHBondContact O-CB 3.34Å; R782-Y798 WeakPolarHBondContact O-CB 3.37Å; R782-Y798 PolarHBondContact O-N 2.95Å; Y784-Y798 HydrophobicContact CD1-CD2 4.25Å; Y784-Y798 HydrophobicContact CE1-CD2 4.45Å; Y798-V801 HydrophobicContact CE1-CG1 3.98Å; Y798-H1095 AromaticContact CD1-CD2 3.78Å; Y798-H1095 AromaticContact CE1-CD2 3.74Å; Y798-S1100 VanDerWaalsContact OH-CB 3.24Å; Y798-S1100 WeakPolarHBondContact OH-CB 3.45Å; Y798-S1100 PolarHBondContact OH-OG 3.23Å; Y798-I1102 HydrophobicContact CD2-CD1 4Å; Y798-I1102 HydrophobicContact CE2-CD1 4Å; Y798-I1102 HydrophobicContact CE2-CG1 4.19Å; Y798-S1112 WeakPolarHBondContact CE2-OG 3.34Å; Y798-S1112 PolarHBondContact OH-OG 3.44Å |
| 799 | P | 90.6 | Very high | 88.7 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 153.5 | 178.5 | 28.9 | -37.2 | 0 | 0 | 0 | 112.2 | V763 T764 V801 | V763-P799 HydrophobicContact CB-CG 4.24Å; V763-P799 HydrophobicContact CG1-CB 3.79Å; V763-P799 HydrophobicContact CG1-CG 3.62Å; T764-P799 HydrophobicContact CG2-CB 3.97Å; T764-P799 HydrophobicContact CG2-CG 3.82Å; P799-V801 HydrophobicContact CG-CG1 4.47Å; P799-V801 PolarHBondContact O-N 3.4Å |
| 800 | S | 85.8 | Confident | 88.4 | Confident | 91 Ų | 91 | 58 Ų | 58 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -75 | 121.5 | 167.3 | -174.3 | 0 | 0 | 0 | 0 | 110 | ||
| 801 | V | 84.2 | Confident | 88.2 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | trans | -103.6 | 8.3 | -177.4 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | V763 Y798 P799 H803 L804 A1114 | V763-V801 HydrophobicContact CG1-CG1 4.4Å; V763-V801 HydrophobicContact CG2-CG1 4.33Å; Y798-V801 HydrophobicContact CE1-CG1 3.98Å; P799-V801 HydrophobicContact CG-CG1 4.47Å; P799-V801 PolarHBondContact O-N 3.4Å; V801-H803 VanDerWaalsContact C-N 3.34Å; V801-H803 PolarHBondContact O-N 3.19Å; V801-L804 HydrophobicContact CB-CD1 3.66Å; V801-L804 HydrophobicContact CB-CG 4.36Å; V801-L804 HydrophobicContact CG1-CD1 4Å; V801-A1114 HydrophobicContact CB-CB 3.98Å; V801-A1114 HydrophobicContact CG1-CB 3.85Å | ||
| 802 | Q | 76 | Confident | 88 | Confident | 121 Ų | 121 | 62.3 Ų | 62.3 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.2 | -172.2 | -72.4 | 179 | -32.2 | 0 | 0 | 115 | T1117 | Q802-T1117 VanDerWaalsContact O-CG2 3.32Å; Q802-T1117 WeakPolarHBondContact O-CG2 3.47Å |
| 803 | H | 76.5 | Confident | 87.9 | Confident | 165 Ų | 165 | 61.9 Ų | 61.9 | 76% | 0.764 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.2 | 52.8 | -173.3 | -59 | 105.1 | 0 | 0 | 0 | 110.8 | V801 | V801-H803 VanDerWaalsContact C-N 3.34Å; V801-H803 PolarHBondContact O-N 3.19Å |
| 804 | L | 81.2 | Confident | 87.8 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | trans | -89.3 | 116.4 | -176.3 | -74.2 | 174.4 | 0 | 0 | 0 | 111.5 | V763 V801 H808 A1114 P1116 T1117 | V763-L804 HydrophobicContact CG1-CD1 4.48Å; V763-L804 HydrophobicContact CG1-CD2 4.04Å; V763-L804 HydrophobicContact CG2-CD1 3.64Å; V763-L804 HydrophobicContact CG2-CD2 4.38Å; V801-L804 HydrophobicContact CB-CD1 3.66Å; V801-L804 HydrophobicContact CB-CG 4.36Å; V801-L804 HydrophobicContact CG1-CD1 4Å; L804-H808 HydrophobicContact CD2-CB 4.44Å; L804-A1114 HydrophobicContact CD1-CB 3.65Å; L804-P1116 CarbonylContact O-C 3.47Å; L804-P1116 WeakPolarHBondContact O-CA 3.36Å; L804-P1116 WeakPolarHBondContact O-CB 3.37Å; L804-T1117 PolarHBondContact N-OG1 2.71Å; L804-T1117 PolarHBondContact O-N 3.35Å; L804-T1117 PolarHBondContact O-OG1 3.26Å | ||
| 805 | S | 80.2 | Confident | 87.6 | Confident | 74 Ų | 74 | 67.8 Ų | 67.8 | 52% | 0.517 | 39% | 0.386 | S | S | . | . | trans | -72.8 | 145.3 | 168.2 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | I761 K807 H808 | I761-S805 VanDerWaalsContact CD1-O 3.3Å; I761-S805 WeakPolarHBondContact CD1-O 3.41Å; S805-K807 PolarHBondContact O-N 3.4Å; S805-K807 PolarHBondContact OG-N 3.31Å; S805-H808 VanDerWaalsContact O-CB 3.29Å; S805-H808 WeakPolarHBondContact O-CB 3.16Å; S805-H808 PolarHBondContact O-N 3.24Å | ||
| 806 | A | 78.4 | Confident | 87.4 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 56% | 0.562 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -11.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1116 | A806-P1116 HydrophobicContact CB-CB 4.26Å; A806-P1116 HydrophobicContact CB-CG 4.26Å |
| 807 | K | 80.2 | Confident | 87.2 | Confident | 186 Ų | 186 | 69.9 Ų | 69.9 | 81% | 0.809 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 15.5 | 173.6 | -64.3 | -178.1 | 179.8 | 175.6 | 0 | 113.8 | S805 V809 | S805-K807 PolarHBondContact O-N 3.4Å; S805-K807 PolarHBondContact OG-N 3.31Å; K807-V809 PolarHBondContact O-N 2.96Å |
| 808 | H | 85 | Confident | 87.2 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -58 | 132.9 | 177.4 | -179.5 | 76.6 | 0 | 0 | 0 | 111.4 | I761 V763 L804 S805 A810 | I761-H808 HydrophobicContact CD1-CB 3.91Å; V763-H808 WeakPolarHBondContact CA-NE2 3.4Å; V763-H808 PolarHBondContact O-NE2 3.47Å; L804-H808 HydrophobicContact CD2-CB 4.44Å; S805-H808 VanDerWaalsContact O-CB 3.29Å; S805-H808 WeakPolarHBondContact O-CB 3.16Å; S805-H808 PolarHBondContact O-N 3.24Å; H808-A810 WeakPolarHBondContact NE2-CA 3.22Å |
| 809 | V | 87.6 | Confident | 87.1 | Confident | 118 Ų | 118 | 71.5 Ų | 71.5 | 72% | 0.715 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -99 | 123 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | K807 T811 | K807-V809 PolarHBondContact O-N 2.96Å; V809-T811 PolarHBondContact O-N 2.91Å |
| 810 | A | 89.9 | Confident | 87.2 | Confident | 30 Ų | 30 | 75 Ų | 75 | 25% | 0.248 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 135.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P762 V763 I765 H808 | P762-A810 HydrophobicContact CB-CB 3.99Å; P762-A810 HydrophobicContact CG-CB 4.21Å; P762-A810 VanDerWaalsContact O-CB 3.3Å; P762-A810 WeakPolarHBondContact O-CB 3.16Å; V763-A810 WeakPolarHBondContact O-CA 3.21Å; I765-A810 HydrophobicContact CD1-CB 3.75Å; I765-A810 HydrophobicContact CG1-CB 3.8Å; H808-A810 WeakPolarHBondContact NE2-CA 3.22Å |
| 811 | T | 92.4 | Very high | 87.4 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -108 | 163.3 | -177.1 | 57.7 | 0 | 0 | 0 | 0 | 112.3 | V763 T764 I765 V809 | V763-T811 PolarHBondContact O-N 2.82Å; V763-T811 VanDerWaalsContact O-N 3.1Å; T764-T811 CarbonylContact C-O 3.57Å; T764-T811 WeakPolarHBondContact CA-O 3.3Å; T764-T811 WeakPolarHBondContact CB-O 3.5Å; I765-T811 PolarHBondContact N-O 3.26Å; V809-T811 PolarHBondContact O-N 2.91Å |
| 812 | S | 92.6 | Very high | 87.8 | Confident | 106 Ų | 106 | 78 Ų | 78 | 74% | 0.741 | 41% | 0.413 | S | S | * | . | trans | -70.1 | 131.6 | 165.6 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 813 | P | 93.7 | Very high | 88.8 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | trans | -73.4 | 154.6 | 177.7 | 30.7 | -34 | 0 | 0 | 0 | 111.5 | T764 I765 L766 Y784 V815 | T764-P813 HydrophobicContact CG2-CB 4.05Å; I765-P813 VanDerWaalsContact O-CD 3.23Å; I765-P813 WeakPolarHBondContact O-CD 3.4Å; L766-P813 HydrophobicContact CB-CG 3.87Å; L766-P813 HydrophobicContact CD1-CG 4.05Å; L766-P813 HydrophobicContact CG-CG 4.42Å; Y784-P813 WeakPolarHBondContact OH-CB 3.42Å; Y784-P813 VanDerWaalsContact OH-CG 3.32Å; Y784-P813 WeakPolarHBondContact OH-CG 3.43Å; P813-V815 PolarHBondContact O-N 3.08Å | ||
| 814 | V | 93.2 | Very high | 89.6 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | trans | -70.5 | 115.2 | 175.4 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | C796 Q797 L816 | C796-V814 CarbonylContact C-O 3.58Å; C796-V814 VanDerWaalsContact CA-O 3.28Å; C796-V814 WeakPolarHBondContact CA-O 3.31Å; Q797-V814 HydrophobicContact CB-CB 4.13Å; Q797-V814 PolarHBondContact N-O 3.39Å; V814-L816 HydrophobicContact CG1-CD2 3.91Å | ||
| 815 | V | 92.9 | Very high | 90.3 | Very high | 59 Ų | 59 | 70.2 Ų | 70.2 | 36% | 0.358 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 110.5 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | L766 R794 P813 M817 R818 | L766-V815 HydrophobicContact CD1-CG2 4.07Å; R794-V815 HydrophobicContact CB-CG1 4.36Å; P813-V815 PolarHBondContact O-N 3.08Å; V815-M817 VanDerWaalsContact CG1-O 3.31Å; V815-M817 WeakPolarHBondContact CG1-O 3.24Å; V815-R818 HydrophobicContact CG1-CB 4.21Å |
| 816 | L | 91.1 | Very high | 91 | Very high | 43 Ų | 43 | 67.5 Ų | 67.5 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -27.1 | -178.5 | -56 | 175.9 | 0 | 0 | 0 | 112.2 | L783 V795 Q797 V814 T857 | L783-L816 HydrophobicContact CD2-CD1 3.45Å; L783-L816 VanDerWaalsContact CD2-CD1 3.45Å; V795-L816 PolarHBondContact O-N 3.27Å; Q797-L816 HydrophobicContact CB-CD1 4.36Å; V814-L816 HydrophobicContact CG1-CD2 3.91Å; L816-T857 WeakPolarHBondContact CD1-O 3.46Å |
| 817 | M | 92 | Very high | 92 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 139.6 | 179.6 | -160.8 | -143.7 | -57.3 | 0 | 0 | 111 | R794 V795 V815 R819 L851 M853 P860 A870 | R794-M817 CarbonylContact C-O 3.51Å; R794-M817 VanDerWaalsContact CA-O 3.25Å; R794-M817 WeakPolarHBondContact CA-O 3.35Å; V795-M817 HydrophobicContact CB-CB 4.06Å; V795-M817 HydrophobicContact CB-CE 4.46Å; V795-M817 HydrophobicContact CG2-CB 4.4Å; V795-M817 HydrophobicContact CG2-CE 3.81Å; V795-M817 PolarHBondContact N-O 3.41Å; V795-M817 PolarHBondContact O-N 3.41Å; V815-M817 VanDerWaalsContact CG1-O 3.31Å; V815-M817 WeakPolarHBondContact CG1-O 3.24Å; M817-R819 HydrophobicContact CG-CG 4.45Å; M817-R819 HydrophobicContact SD-CG 3.72Å; M817-R819 PolarHBondContact SD-NE 2.96Å; M817-L851 HydrophobicContact CE-CD2 4.04Å; M817-L851 HydrophobicContact SD-CD2 4.23Å; M817-M853 HydrophobicContact CE-CE 3.41Å; M817-M853 VanDerWaalsContact CE-CE 3.41Å; M817-M853 HydrophobicContact CE-SD 3.58Å; M817-M853 VanDerWaalsContact CE-SD 3.58Å; M817-P860 HydrophobicContact CE-CG 3.9Å; M817-P860 HydrophobicContact SD-CG 4.43Å; M817-A870 HydrophobicContact CG-CB 4.26Å; M817-A870 VanDerWaalsContact CG-O 3.26Å; M817-A870 WeakPolarHBondContact CG-O 3.19Å |
| 818 | R | 93.2 | Very high | 92.8 | Very high | 125 Ų | 125 | 57.6 Ų | 57.6 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 91 | 177.1 | -177 | 177.9 | -178.4 | -177.6 | 1.7 | 111.6 | F792 R794 V815 S871 | F792-R818 HydrophobicContact CD1-CG 3.61Å; F792-R818 HydrophobicContact CE1-CG 3.75Å; R794-R818 HydrophobicContact CG-CG 4.27Å; V815-R818 HydrophobicContact CG1-CB 4.21Å; R818-S871 PolarHBondContact N-OG 2.9Å |
| 819 | R | 93.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 54 Ų | 54 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.9 | 175.6 | -61.7 | -171.6 | 178.8 | -128.8 | -20.3 | 110.5 | F792 L793 M817 Y822 A870 A873 G874 | F792-R819 WeakPolarHBondContact CA-O 3.31Å; L793-R819 HydrophobicContact CB-CB 4.47Å; L793-R819 PolarHBondContact N-O 3.04Å; L793-R819 PolarHBondContact O-N 3.34Å; M817-R819 HydrophobicContact CG-CG 4.45Å; M817-R819 HydrophobicContact SD-CG 3.72Å; M817-R819 PolarHBondContact SD-NE 2.96Å; R819-Y822 HydrophobicContact CB-CD2 3.83Å; R819-Y822 HydrophobicContact CB-CG 4.06Å; R819-Y822 VanDerWaalsContact CD-CD2 3.49Å; R819-Y822 HydrophobicContact CG-CD2 4.26Å; R819-A870 PolarHBondContact NH2-O 2.94Å; R819-A873 PolarHBondContact NH2-O 2.85Å; R819-G874 PolarHBondContact NH1-O 3.43Å |
| 820 | Q | 91.6 | Very high | 93.8 | Very high | 99 Ų | 99 | 48.4 Ų | 48.4 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 143.6 | 175.2 | -179 | 45.5 | -31.8 | 0 | 0 | 111.3 | F792 Y822 | F792-Q820 HydrophobicContact CD1-CB 3.94Å; F792-Q820 HydrophobicContact CD1-CG 4.45Å; F792-Q820 HydrophobicContact CE1-CB 3.47Å; F792-Q820 VanDerWaalsContact CE1-CB 3.47Å; F792-Q820 HydrophobicContact CE1-CG 3.81Å; F792-Q820 HydrophobicContact CZ-CB 4.1Å; F792-Q820 HydrophobicContact CZ-CG 3.9Å; Q820-Y822 PolarHBondContact O-N 3.25Å |
| 821 | K | 90.6 | Very high | 94.1 | Very high | 162 Ų | 162 | 47.6 Ų | 47.6 | 70% | 0.704 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 38.4 | -174.3 | -60.9 | 171.2 | -177.6 | 175.5 | 0 | 111.4 | K791 H823 | K791-K821 PolarHBondContact O-N 3.48Å; K821-H823 CarbonylContact C-O 3.44Å; K821-H823 PolarHBondContact O-N 2.85Å |
| 822 | Y | 93.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | trans | -67.9 | -22.2 | -176.8 | -176.3 | -107.1 | 0 | 0 | 0 | 112.6 | K791 L793 R819 Q820 I827 T841 R849 A876 | K791-Y822 PolarHBondContact O-N 2.96Å; L793-Y822 HydrophobicContact CB-CD1 3.65Å; L793-Y822 HydrophobicContact CB-CE1 4.38Å; L793-Y822 HydrophobicContact CB-CG 3.88Å; L793-Y822 HydrophobicContact CD2-CD1 3.6Å; L793-Y822 HydrophobicContact CD2-CE1 3.44Å; L793-Y822 VanDerWaalsContact CD2-CE1 3.44Å; L793-Y822 HydrophobicContact CD2-CE2 4.41Å; L793-Y822 HydrophobicContact CD2-CG 4.16Å; L793-Y822 HydrophobicContact CG-CD1 4.25Å; R819-Y822 HydrophobicContact CB-CD2 3.83Å; R819-Y822 HydrophobicContact CB-CG 4.06Å; R819-Y822 VanDerWaalsContact CD-CD2 3.49Å; R819-Y822 HydrophobicContact CG-CD2 4.26Å; Q820-Y822 PolarHBondContact O-N 3.25Å; Y822-I827 HydrophobicContact CD1-CD1 4.2Å; Y822-T841 HydrophobicContact CE1-CG2 4.33Å; Y822-T841 WeakPolarHBondContact CE1-OG1 3.49Å; Y822-R849 HydrophobicContact CE1-CB 4.05Å; Y822-R849 WeakPolarHBondContact O-CD 3.33Å; Y822-R849 PolarHBondContact O-NE 2.96Å; Y822-R849 PolarHBondContact O-NH1 3.11Å; Y822-A876 HydrophobicContact CE2-CB 3.84Å; Y822-A876 VanDerWaalsContact OH-CB 3.25Å; Y822-A876 WeakPolarHBondContact OH-CB 3.36Å | ||
| 823 | H | 95.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -121.4 | 160.6 | 159.5 | -86.4 | -92.4 | 0 | 0 | 0 | 109.6 | K821 G825 I827 T841 S843 D845 T847 | K821-H823 CarbonylContact C-O 3.44Å; K821-H823 PolarHBondContact O-N 2.85Å; H823-G825 VanDerWaalsContact C-N 3.25Å; H823-G825 WeakPolarHBondContact CB-O 3.47Å; H823-I827 HydrophobicContact CB-CG1 4.38Å; H823-T841 PolarHBondContact NE2-OG1 3.17Å; H823-S843 WeakPolarHBondContact ND1-CB 3.37Å; H823-D845 WeakPolarHBondContact CB-OD2 3.17Å; H823-D845 IonicContact CG-OD2 3.19Å; H823-D845 IonicContact ND1-OD1 2.74Å; H823-D845 PolarHBondContact ND1-OD1 2.85Å; H823-D845 IonicContact ND1-OD2 3.17Å; H823-D845 PolarHBondContact ND1-OD2 3.22Å; H823-T847 PolarHBondContact CE1-O 2.8Å; H823-T847 PolarHBondContact CE1-OG1 3.03Å; H823-T847 VanDerWaalsContact CE1-OG1 3.23Å; H823-T847 PolarHBondContact ND1-OG1 2.86Å |
| 824 | K | 94 | Very high | 93.8 | Very high | 122 Ų | 122 | 42 Ų | 42 | 53% | 0.53 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -71.8 | -27.8 | 165.4 | -59.3 | 166.8 | -174.1 | 156.3 | 0 | 110.2 | K791 D845 E878 | K791-K824 WeakPolarHBondContact CD-O 3.38Å; K791-K824 VanDerWaalsContact CE-O 3.31Å; K791-K824 WeakPolarHBondContact CE-O 3.46Å; K791-K824 PolarHBondContact NZ-O 3.24Å; K824-D845 WeakPolarHBondContact CA-OD2 3.38Å; K824-D845 HydrophobicContact CB-CB 3.91Å; K824-D845 WeakPolarHBondContact CB-OD2 3.44Å; K824-D845 PolarHBondContact N-OD2 2.83Å; K824-E878 IonicContact NZ-OE1 3.98Å |
| 825 | G | 95 | Very high | 93.4 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -101.1 | -179.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K791 H823 S843 N844 D845 | K791-G825 WeakPolarHBondContact CD-O 3.35Å; K791-G825 VanDerWaalsContact CG-O 3.22Å; K791-G825 WeakPolarHBondContact CG-O 3.44Å; H823-G825 VanDerWaalsContact C-N 3.25Å; H823-G825 WeakPolarHBondContact CB-O 3.47Å; G825-S843 WeakPolarHBondContact CA-OG 3.29Å; G825-N844 WeakPolarHBondContact CA-OD1 3.3Å; G825-D845 PolarHBondContact N-OD2 2.9Å |
| 826 | S | 96.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | trans | -66.7 | 142.2 | 165.8 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | N789 S843 N844 | N789-S826 WeakPolarHBondContact CA-OG 3.17Å; N789-S826 PolarHBondContact O-OG 2.85Å; S826-S843 VanDerWaalsContact O-CA 3.29Å; S826-S843 WeakPolarHBondContact O-CA 3.49Å; S826-S843 VanDerWaalsContact O-CB 3.29Å; S826-S843 WeakPolarHBondContact O-CB 3.18Å; S826-S843 PolarHBondContact O-OG 3.17Å; S826-N844 PolarHBondContact N-OD1 2.78Å; S826-N844 PolarHBondContact O-N 2.98Å | ||
| 827 | I | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 125.6 | 173.4 | -48.7 | -177.4 | 0 | 0 | 0 | 108.1 | R773 S788 L793 Y822 H823 T841 | R773-I827 VanDerWaalsContact CB-O 3.23Å; R773-I827 WeakPolarHBondContact CB-O 3.48Å; R773-I827 WeakPolarHBondContact CG-O 3.41Å; S788-I827 PolarHBondContact O-N 2.97Å; S788-I827 VanDerWaalsContact O-N 3.07Å; L793-I827 HydrophobicContact CB-CD1 3.92Å; Y822-I827 HydrophobicContact CD1-CD1 4.2Å; H823-I827 HydrophobicContact CB-CG1 4.38Å; I827-T841 HydrophobicContact CG2-CG2 4.17Å |
| 828 | Y | 97 | Very high | 93.1 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -33.1 | -175.5 | -91.6 | -100.3 | 0 | 0 | 0 | 113.2 | C774 G842 N844 T885 V886 | C774-Y828 WeakPolarHBondContact CB-O 3.24Å; Y828-G842 PolarHBondContact N-O 2.94Å; Y828-N844 HydrophobicContact CD2-CB 4.05Å; Y828-N844 HydrophobicContact CE2-CB 3.64Å; Y828-T885 HydrophobicContact CD1-CG2 4.18Å; Y828-T885 HydrophobicContact CD2-CG2 4Å; Y828-T885 HydrophobicContact CE1-CG2 4.34Å; Y828-T885 HydrophobicContact CE2-CG2 4.18Å; Y828-T885 HydrophobicContact CG-CG2 3.99Å; Y828-V886 WeakPolarHBondContact CB-O 3.18Å |
| 829 | C | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.8 | -179.2 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | T841 G842 R887 I889 | C829-T841 WeakPolarHBondContact O-CA 3.38Å; C829-G842 PolarHBondContact N-O 3.45Å; C829-G842 PolarHBondContact O-N 3.13Å; C829-G842 VanDerWaalsContact SG-CA 3.57Å; C829-R887 WeakPolarHBondContact CB-O 3.37Å; C829-I889 HydrophobicContact CB-CG1 3.96Å |
| 830 | V | 97.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 138.9 | 179.7 | 60.7 | 0 | 0 | 0 | 0 | 108.6 | C774 A776 A785 I839 A840 T841 | C774-V830 HydrophobicContact CB-CG1 3.96Å; A776-V830 HydrophobicContact CB-CG1 3.95Å; A776-V830 WeakPolarHBondContact CB-O 3.39Å; A785-V830 HydrophobicContact CB-CG2 3.85Å; V830-I839 HydrophobicContact CG2-CD1 3.81Å; V830-I839 HydrophobicContact CG2-CG1 3.9Å; V830-A840 WeakPolarHBondContact CA-O 3.44Å; V830-T841 HydrophobicContact CB-CG2 4.14Å; V830-T841 HydrophobicContact CG2-CG2 3.84Å |
| 831 | A | 96.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 10% | 0.099 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 153.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A840 I889 F891 | A831-A840 PolarHBondContact N-O 3.38Å; A831-A840 PolarHBondContact O-N 3.04Å; A831-I889 HydrophobicContact CB-CD1 4.16Å; A831-I889 HydrophobicContact CB-CG1 3.97Å; A831-F891 HydrophobicContact CB-CD2 4.11Å; A831-F891 HydrophobicContact CB-CE2 4.26Å |
| 832 | W | 94 | Very high | 93.8 | Very high | 19 Ų | 19 | 22.1 Ų | 22.1 | 7% | 0.072 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 147.6 | 170.4 | -64.9 | 91.2 | 0 | 0 | 0 | 109.6 | A776 F777 H778 A785 V795 I838 I839 M853 F891 | A776-W832 PolarHBondContact O-NE1 2.93Å; F777-W832 VanDerWaalsContact C-CD1 3.5Å; H778-W832 HydrophobicContact CB-CD2 4.27Å; H778-W832 HydrophobicContact CB-CZ2 4.33Å; H778-W832 AromaticContact CD2-CD2 3.94Å; H778-W832 AromaticContact CD2-CE3 3.64Å; H778-W832 AromaticContact CD2-CZ3 3.77Å; A785-W832 HydrophobicContact CB-CZ2 3.83Å; V795-W832 HydrophobicContact CG1-CH2 4.16Å; V795-W832 HydrophobicContact CG1-CZ2 4.14Å; V795-W832 HydrophobicContact CG2-CH2 4.24Å; V795-W832 HydrophobicContact CG2-CZ2 4.26Å; W832-I838 CarbonylContact C-O 3.54Å; W832-I838 WeakPolarHBondContact CA-O 3.45Å; W832-I839 HydrophobicContact CD2-CB 4.3Å; W832-I839 HydrophobicContact CD2-CG1 4.37Å; W832-I839 HydrophobicContact CE3-CB 3.95Å; W832-I839 HydrophobicContact CH2-CD1 4.42Å; W832-I839 HydrophobicContact CZ2-CD1 4.12Å; W832-I839 HydrophobicContact CZ3-CB 4.1Å; W832-M853 HydrophobicContact CH2-CE 4.26Å; W832-M853 HydrophobicContact CH2-CG 4.48Å; W832-M853 HydrophobicContact CZ3-CB 3.98Å; W832-M853 HydrophobicContact CZ3-CE 4.41Å; W832-M853 HydrophobicContact CZ3-CG 3.83Å; W832-F891 VanDerWaalsContact C-CE2 3.5Å; W832-F891 WeakPolarHBondContact O-CD2 3.37Å |
| 833 | S | 91.4 | Very high | 94 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.028 | 10% | 0.104 | C | C | . | . | trans | -63.2 | 157.7 | 168.6 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | P779 D835 G836 R837 I838 | P779-S833 VanDerWaalsContact CG-O 3.3Å; P779-S833 WeakPolarHBondContact CG-O 3.38Å; S833-D835 WeakPolarHBondContact CB-OD1 3.13Å; S833-D835 PolarHBondContact O-N 2.94Å; S833-D835 PolarHBondContact OG-OD1 2.82Å; S833-G836 PolarHBondContact O-N 2.9Å; S833-R837 PolarHBondContact OG-N 3.31Å; S833-R837 VanDerWaalsContact OG-N 3.11Å; S833-I838 PolarHBondContact N-O 2.94Å; S833-I838 PolarHBondContact OG-N 2.56Å; S833-I838 PolarHBondContact OG-O 2.74Å | ||
| 834 | P | 86.4 | Confident | 94 | Very high | 50 Ų | 50 | 24.5 Ų | 24.5 | 33% | 0.325 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.6 | -178 | -24 | 35.3 | 0 | 0 | 0 | 114 | P779 F891 L893 | P779-P834 WeakPolarHBondContact CG-O 3.31Å; P834-F891 HydrophobicContact CG-CB 4.4Å; P834-L893 HydrophobicContact CB-CD2 4.37Å; P834-L893 HydrophobicContact CG-CD2 4.25Å |
| 835 | D | 84.6 | Confident | 94 | Very high | 47 Ų | 47 | 20 Ų | 20 | 25% | 0.251 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -2.4 | 174.9 | 74.3 | -21.8 | 0 | 0 | 0 | 113.9 | S833 R837 P855 P906 | S833-D835 WeakPolarHBondContact CB-OD1 3.13Å; S833-D835 PolarHBondContact O-N 2.94Å; S833-D835 PolarHBondContact OG-OD1 2.82Å; D835-R837 VanDerWaalsContact C-N 3.25Å; D835-R837 PolarHBondContact O-N 2.87Å; D835-R837 PolarHBondContact OD1-N 3.05Å; D835-R837 VanDerWaalsContact OD1-N 3.15Å; D835-R837 WeakPolarHBondContact OD2-CD 3.33Å; D835-R837 VanDerWaalsContact OD2-CG 3.24Å; D835-R837 WeakPolarHBondContact OD2-CG 3.4Å; D835-R837 IonicContact OD2-CZ 3.87Å; D835-R837 IonicContact OD2-NE 2.75Å; D835-R837 IonicContact OD2-NH1 3.78Å; D835-R837 PolarHBondContact OD2-NH1 3.37Å; D835-P855 WeakPolarHBondContact O-CB 3.23Å; D835-P906 HydrophobicContact CB-CB 3.98Å; D835-P906 HydrophobicContact CB-CG 4.12Å; D835-P906 WeakPolarHBondContact OD2-CG 3.41Å |
| 836 | G | 89.2 | Confident | 94 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 79.4 | -7.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H778 S833 I838 | H778-G836 VanDerWaalsContact NE2-CA 3.29Å; H778-G836 WeakPolarHBondContact NE2-CA 3.26Å; S833-G836 PolarHBondContact O-N 2.9Å; G836-I838 PolarHBondContact O-N 3.24Å |
| 837 | R | 89.8 | Confident | 93.9 | Very high | 116 Ų | 116 | 21.1 Ų | 21.1 | 44% | 0.438 | 11% | 0.106 | S | C | . | . | trans | -77.3 | -17 | -169.7 | -65.1 | -167.4 | -176.2 | 119.9 | -11.9 | 116 | S833 D835 Q852 M853 P855 | S833-R837 PolarHBondContact OG-N 3.31Å; S833-R837 VanDerWaalsContact OG-N 3.11Å; D835-R837 VanDerWaalsContact C-N 3.25Å; D835-R837 PolarHBondContact O-N 2.87Å; D835-R837 PolarHBondContact OD1-N 3.05Å; D835-R837 VanDerWaalsContact OD1-N 3.15Å; D835-R837 WeakPolarHBondContact OD2-CD 3.33Å; D835-R837 VanDerWaalsContact OD2-CG 3.24Å; D835-R837 WeakPolarHBondContact OD2-CG 3.4Å; D835-R837 IonicContact OD2-CZ 3.87Å; D835-R837 IonicContact OD2-NE 2.75Å; D835-R837 IonicContact OD2-NH1 3.78Å; D835-R837 PolarHBondContact OD2-NH1 3.37Å; R837-Q852 PolarHBondContact O-OE1 2.71Å; R837-M853 WeakPolarHBondContact CA-O 3.45Å; R837-M853 PolarHBondContact O-N 2.88Å; R837-P855 HydrophobicContact CG-CB 4.48Å; R837-P855 HydrophobicContact CG-CG 4Å | ||
| 838 | I | 91.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 21.2 Ų | 21.2 | 6% | 0.056 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.3 | 179.8 | -50.6 | 178 | 0 | 0 | 0 | 108.4 | W832 S833 G836 L850 L851 F891 C925 | W832-I838 CarbonylContact C-O 3.54Å; W832-I838 WeakPolarHBondContact CA-O 3.45Å; S833-I838 PolarHBondContact N-O 2.94Å; S833-I838 PolarHBondContact OG-N 2.56Å; S833-I838 PolarHBondContact OG-O 2.74Å; G836-I838 PolarHBondContact O-N 3.24Å; I838-L850 HydrophobicContact CG2-CB 4.18Å; I838-L850 HydrophobicContact CG2-CD2 4.43Å; I838-L851 WeakPolarHBondContact CA-O 3.41Å; I838-F891 HydrophobicContact CB-CZ 4.18Å; I838-F891 HydrophobicContact CG2-CZ 4.02Å; I838-C925 HydrophobicContact CD1-CB 4.12Å |
| 839 | I | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.9 | 162.9 | -171.9 | 176.6 | 0 | 0 | 0 | 109.6 | A785 L793 V795 V830 W832 L850 L851 M853 | A785-I839 HydrophobicContact CB-CD1 3.4Å; L793-I839 HydrophobicContact CD1-CD1 4.05Å; L793-I839 HydrophobicContact CD2-CD1 4.35Å; V795-I839 HydrophobicContact CG2-CD1 4.46Å; V830-I839 HydrophobicContact CG2-CD1 3.81Å; V830-I839 HydrophobicContact CG2-CG1 3.9Å; W832-I839 HydrophobicContact CD2-CB 4.3Å; W832-I839 HydrophobicContact CD2-CG1 4.37Å; W832-I839 HydrophobicContact CE3-CB 3.95Å; W832-I839 HydrophobicContact CH2-CD1 4.42Å; W832-I839 HydrophobicContact CZ2-CD1 4.12Å; W832-I839 HydrophobicContact CZ3-CB 4.1Å; I839-L850 WeakPolarHBondContact O-CA 3.25Å; I839-L851 HydrophobicContact CG2-CB 3.75Å; I839-L851 HydrophobicContact CG2-CD2 4.27Å; I839-L851 HydrophobicContact CG2-CG 4.3Å; I839-L851 PolarHBondContact N-O 3.49Å; I839-L851 PolarHBondContact O-N 2.59Å; I839-M853 HydrophobicContact CB-CG 4.17Å; I839-M853 HydrophobicContact CG2-CG 3.63Å; I839-M853 HydrophobicContact CG2-SD 3.99Å |
| 840 | A | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V830 A831 R849 L850 I889 F891 L910 | V830-A840 WeakPolarHBondContact CA-O 3.44Å; A831-A840 PolarHBondContact N-O 3.38Å; A831-A840 PolarHBondContact O-N 3.04Å; A840-R849 WeakPolarHBondContact CA-O 3.42Å; A840-L850 HydrophobicContact CB-CD2 3.63Å; A840-I889 HydrophobicContact CB-CD1 3.87Å; A840-I889 VanDerWaalsContact O-CD1 3.28Å; A840-I889 WeakPolarHBondContact O-CD1 3.17Å; A840-F891 HydrophobicContact CB-CE2 3.72Å; A840-F891 HydrophobicContact CB-CZ 3.79Å; A840-L910 HydrophobicContact CB-CD1 4.2Å; A840-L910 HydrophobicContact CB-CD2 4.02Å |
| 841 | T | 97.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.1 | 174.1 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | L793 Y822 H823 I827 C829 V830 I848 R849 | L793-T841 HydrophobicContact CD1-CG2 4.09Å; L793-T841 HydrophobicContact CD2-CG2 4.3Å; Y822-T841 HydrophobicContact CE1-CG2 4.33Å; Y822-T841 WeakPolarHBondContact CE1-OG1 3.49Å; H823-T841 PolarHBondContact NE2-OG1 3.17Å; I827-T841 HydrophobicContact CG2-CG2 4.17Å; C829-T841 WeakPolarHBondContact O-CA 3.38Å; V830-T841 HydrophobicContact CB-CG2 4.14Å; V830-T841 HydrophobicContact CG2-CG2 3.84Å; T841-I848 CarbonylContact O-C 3.56Å; T841-I848 VanDerWaalsContact O-CA 3.28Å; T841-I848 WeakPolarHBondContact O-CA 3.3Å; T841-R849 PolarHBondContact N-O 3.05Å; T841-R849 PolarHBondContact O-N 2.81Å; T841-R849 PolarHBondContact OG1-O 2.95Å |
| 842 | G | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y828 C829 | Y828-G842 PolarHBondContact N-O 2.94Å; C829-G842 PolarHBondContact N-O 3.45Å; C829-G842 PolarHBondContact O-N 3.13Å; C829-G842 VanDerWaalsContact SG-CA 3.57Å |
| 843 | S | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 167 | -171.1 | -178.1 | 0 | 0 | 0 | 0 | 113.7 | H823 G825 S826 D845 T847 V886 | H823-S843 WeakPolarHBondContact ND1-CB 3.37Å; G825-S843 WeakPolarHBondContact CA-OG 3.29Å; S826-S843 VanDerWaalsContact O-CA 3.29Å; S826-S843 WeakPolarHBondContact O-CA 3.49Å; S826-S843 VanDerWaalsContact O-CB 3.29Å; S826-S843 WeakPolarHBondContact O-CB 3.18Å; S826-S843 PolarHBondContact O-OG 3.17Å; S843-D845 VanDerWaalsContact C-N 3.25Å; S843-D845 VanDerWaalsContact CB-OD1 3.3Å; S843-D845 WeakPolarHBondContact CB-OD1 3.17Å; S843-D845 PolarHBondContact O-N 2.92Å; S843-D845 PolarHBondContact OG-N 2.87Å; S843-D845 PolarHBondContact OG-OD1 2.88Å; S843-T847 PolarHBondContact N-O 2.88Å; S843-V886 PolarHBondContact O-N 3.42Å; S843-V886 VanDerWaalsContact O-N 3.1Å |
| 844 | N | 95.5 | Very high | 92.7 | Very high | 62 Ų | 62 | 24.9 Ų | 24.9 | 33% | 0.332 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 7 | 168.7 | 72.2 | -15.5 | 0 | 0 | 0 | 114.6 | G825 S826 Y828 T885 | G825-N844 WeakPolarHBondContact CA-OD1 3.3Å; S826-N844 PolarHBondContact N-OD1 2.78Å; S826-N844 PolarHBondContact O-N 2.98Å; Y828-N844 HydrophobicContact CD2-CB 4.05Å; Y828-N844 HydrophobicContact CE2-CB 3.64Å; N844-T885 HydrophobicContact CB-CG2 3.78Å; N844-T885 WeakPolarHBondContact CB-OG1 3.42Å |
| 845 | D | 94.7 | Very high | 92.6 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 16% | 0.155 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 15.7 | 163.5 | 65.3 | 15.8 | 0 | 0 | 0 | 113.9 | H823 K824 G825 S843 T847 | H823-D845 WeakPolarHBondContact CB-OD2 3.17Å; H823-D845 IonicContact CG-OD2 3.19Å; H823-D845 IonicContact ND1-OD1 2.74Å; H823-D845 PolarHBondContact ND1-OD1 2.85Å; H823-D845 IonicContact ND1-OD2 3.17Å; H823-D845 PolarHBondContact ND1-OD2 3.22Å; K824-D845 WeakPolarHBondContact CA-OD2 3.38Å; K824-D845 HydrophobicContact CB-CB 3.91Å; K824-D845 WeakPolarHBondContact CB-OD2 3.44Å; K824-D845 PolarHBondContact N-OD2 2.83Å; G825-D845 PolarHBondContact N-OD2 2.9Å; S843-D845 VanDerWaalsContact C-N 3.25Å; S843-D845 VanDerWaalsContact CB-OD1 3.3Å; S843-D845 WeakPolarHBondContact CB-OD1 3.17Å; S843-D845 PolarHBondContact O-N 2.92Å; S843-D845 PolarHBondContact OG-N 2.87Å; S843-D845 PolarHBondContact OG-OD1 2.88Å; D845-T847 WeakPolarHBondContact O-CG2 3.3Å; D845-T847 PolarHBondContact O-N 3.45Å; D845-T847 VanDerWaalsContact O-N 3.13Å; D845-T847 WeakPolarHBondContact OD1-CB 3.42Å; D845-T847 PolarHBondContact OD1-N 2.83Å; D845-T847 VanDerWaalsContact OD1-N 3.1Å; D845-T847 PolarHBondContact OD1-OG1 2.89Å |
| 846 | T | 94.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 28% | 0.276 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 60.5 | 10 | -177.5 | 97.1 | 0 | 0 | 0 | 0 | 115.2 | H882 G884 | T846-H882 WeakPolarHBondContact CB-O 3.44Å; T846-H882 PolarHBondContact OG1-O 2.83Å; T846-G884 VanDerWaalsContact CA-O 3.32Å; T846-G884 WeakPolarHBondContact CA-O 3.4Å; T846-G884 VanDerWaalsContact CB-O 3.27Å; T846-G884 WeakPolarHBondContact CB-O 3.42Å; T846-G884 WeakPolarHBondContact CG2-O 3.34Å |
| 847 | T | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | trans | -101.5 | 150.2 | 178.8 | 75.4 | 0 | 0 | 0 | 0 | 112.4 | H823 S843 D845 E878 L879 R880 | H823-T847 PolarHBondContact CE1-O 2.8Å; H823-T847 PolarHBondContact CE1-OG1 3.03Å; H823-T847 VanDerWaalsContact CE1-OG1 3.23Å; H823-T847 PolarHBondContact ND1-OG1 2.86Å; S843-T847 PolarHBondContact N-O 2.88Å; D845-T847 WeakPolarHBondContact O-CG2 3.3Å; D845-T847 PolarHBondContact O-N 3.45Å; D845-T847 VanDerWaalsContact O-N 3.13Å; D845-T847 WeakPolarHBondContact OD1-CB 3.42Å; D845-T847 PolarHBondContact OD1-N 2.83Å; D845-T847 VanDerWaalsContact OD1-N 3.1Å; D845-T847 PolarHBondContact OD1-OG1 2.89Å; T847-E878 HydrophobicContact CG2-CG 3.9Å; T847-L879 WeakPolarHBondContact CA-O 3.22Å; T847-R880 HydrophobicContact CG2-CG 3.75Å | ||
| 848 | I | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.9 | 162.6 | -68.8 | 162.9 | 0 | 0 | 0 | 107.3 | T841 L850 L879 Y881 V886 I889 L910 S912 | T841-I848 CarbonylContact O-C 3.56Å; T841-I848 VanDerWaalsContact O-CA 3.28Å; T841-I848 WeakPolarHBondContact O-CA 3.3Å; I848-L850 HydrophobicContact CG2-CD2 4.27Å; I848-L879 HydrophobicContact CB-CB 4.32Å; I848-L879 HydrophobicContact CG2-CD1 4.21Å; I848-L879 PolarHBondContact N-O 2.84Å; I848-L879 PolarHBondContact O-N 2.8Å; I848-Y881 HydrophobicContact CD1-CE2 4.21Å; I848-Y881 WeakPolarHBondContact CD1-OH 3.38Å; I848-V886 HydrophobicContact CD1-CG1 3.94Å; I848-V886 HydrophobicContact CD1-CG2 4.3Å; I848-V886 HydrophobicContact CG1-CB 4.45Å; I848-V886 HydrophobicContact CG1-CG1 3.94Å; I848-V886 HydrophobicContact CG1-CG2 3.94Å; I848-I889 HydrophobicContact CD1-CG2 4.45Å; I848-L910 HydrophobicContact CG2-CD2 4.1Å; I848-S912 VanDerWaalsContact CD1-CB 3.43Å; I848-S912 WeakPolarHBondContact CD1-OG 3.45Å |
| 849 | R | 94.8 | Very high | 92 | Very high | 51 Ų | 51 | 24.3 Ų | 24.3 | 19% | 0.192 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.5 | 176.8 | -74.9 | 178.4 | 163.4 | -142.2 | -9.9 | 110.7 | Y822 A840 T841 A876 I877 E878 | Y822-R849 HydrophobicContact CE1-CB 4.05Å; Y822-R849 WeakPolarHBondContact O-CD 3.33Å; Y822-R849 PolarHBondContact O-NE 2.96Å; Y822-R849 PolarHBondContact O-NH1 3.11Å; A840-R849 WeakPolarHBondContact CA-O 3.42Å; T841-R849 PolarHBondContact N-O 3.05Å; T841-R849 PolarHBondContact O-N 2.81Å; T841-R849 PolarHBondContact OG1-O 2.95Å; R849-A876 HydrophobicContact CB-CB 4.33Å; R849-I877 VanDerWaalsContact CA-O 3.32Å; R849-I877 WeakPolarHBondContact CA-O 3.31Å; R849-E878 HydrophobicContact CG-CB 4.28Å; R849-E878 HydrophobicContact CG-CG 4.16Å; R849-E878 IonicContact CZ-OE2 3.27Å; R849-E878 VanDerWaalsContact CZ-OE2 3.27Å; R849-E878 IonicContact NE-OE2 2.73Å; R849-E878 PolarHBondContact NE-OE2 3.15Å; R849-E878 VanDerWaalsContact NE-OE2 3.08Å; R849-E878 IonicContact NH2-OE2 2.66Å; R849-E878 PolarHBondContact NH2-OE2 2.07Å |
| 850 | L | 93.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134 | 172 | -49.6 | -179.7 | 0 | 0 | 0 | 109 | I838 I839 A840 I848 A876 I877 L879 L910 C925 A928 | I838-L850 HydrophobicContact CG2-CB 4.18Å; I838-L850 HydrophobicContact CG2-CD2 4.43Å; I839-L850 WeakPolarHBondContact O-CA 3.25Å; A840-L850 HydrophobicContact CB-CD2 3.63Å; I848-L850 HydrophobicContact CG2-CD2 4.27Å; L850-A876 CarbonylContact O-C 3.55Å; L850-A876 WeakPolarHBondContact O-CA 3.35Å; L850-A876 WeakPolarHBondContact O-CB 3.37Å; L850-I877 HydrophobicContact CB-CB 4.35Å; L850-I877 PolarHBondContact N-O 3.03Å; L850-I877 PolarHBondContact O-N 2.85Å; L850-L879 HydrophobicContact CD1-CD1 4.15Å; L850-L879 HydrophobicContact CG-CD1 4.25Å; L850-L910 HydrophobicContact CD2-CD2 3.88Å; L850-C925 HydrophobicContact CD1-CB 3.91Å; L850-C925 VanDerWaalsContact CD1-SG 3.58Å; L850-A928 HydrophobicContact CD1-CB 4.36Å |
| 851 | L | 92.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.6 | 171.5 | 175.5 | 67.9 | 0 | 0 | 0 | 109.3 | M817 I838 I839 M853 P860 | M817-L851 HydrophobicContact CE-CD2 4.04Å; M817-L851 HydrophobicContact SD-CD2 4.23Å; I838-L851 WeakPolarHBondContact CA-O 3.41Å; I839-L851 HydrophobicContact CG2-CB 3.75Å; I839-L851 HydrophobicContact CG2-CD2 4.27Å; I839-L851 HydrophobicContact CG2-CG 4.3Å; I839-L851 PolarHBondContact N-O 3.49Å; I839-L851 PolarHBondContact O-N 2.59Å; L851-M853 HydrophobicContact CD2-SD 3.79Å; L851-M853 HydrophobicContact CG-SD 3.9Å; L851-P860 HydrophobicContact CD1-CB 4.38Å |
| 852 | Q | 91.3 | Very high | 90.7 | Very high | 65 Ų | 65 | 30.6 Ų | 30.6 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 136 | 178.2 | -177.2 | 66.9 | 23.8 | 0 | 0 | 110.2 | R837 P860 D861 | R837-Q852 PolarHBondContact O-OE1 2.71Å; Q852-P860 WeakPolarHBondContact O-CA 3.42Å; Q852-D861 HydrophobicContact CG-CB 3.98Å; Q852-D861 WeakPolarHBondContact CG-OD2 3.48Å; Q852-D861 PolarHBondContact NE2-OD2 2.93Å; Q852-D861 PolarHBondContact O-N 3.26Å |
| 853 | M | 90.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -139.9 | 139.6 | -163.8 | -64.5 | -59 | -53.5 | 0 | 0 | 111.9 | M817 W832 R837 I839 L851 P855 G858 I859 P860 | M817-M853 HydrophobicContact CE-CE 3.41Å; M817-M853 VanDerWaalsContact CE-CE 3.41Å; M817-M853 HydrophobicContact CE-SD 3.58Å; M817-M853 VanDerWaalsContact CE-SD 3.58Å; W832-M853 HydrophobicContact CH2-CE 4.26Å; W832-M853 HydrophobicContact CH2-CG 4.48Å; W832-M853 HydrophobicContact CZ3-CB 3.98Å; W832-M853 HydrophobicContact CZ3-CE 4.41Å; W832-M853 HydrophobicContact CZ3-CG 3.83Å; R837-M853 WeakPolarHBondContact CA-O 3.45Å; R837-M853 PolarHBondContact O-N 2.88Å; I839-M853 HydrophobicContact CB-CG 4.17Å; I839-M853 HydrophobicContact CG2-CG 3.63Å; I839-M853 HydrophobicContact CG2-SD 3.99Å; L851-M853 HydrophobicContact CD2-SD 3.79Å; L851-M853 HydrophobicContact CG-SD 3.9Å; M853-P855 WeakPolarHBondContact O-CD 3.43Å; M853-G858 WeakPolarHBondContact CE-O 3.26Å; M853-I859 VanDerWaalsContact CE-C 3.41Å; M853-I859 WeakPolarHBondContact CE-O 3.32Å; M853-P860 HydrophobicContact SD-CB 4.28Å; M853-P860 HydrophobicContact SD-CG 4.41Å | ||
| 854 | D | 87.8 | Confident | 89.5 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 19% | 0.193 | 22% | 0.215 | C | C | . | . | trans | -76.4 | 118.2 | 168.5 | 167 | 12.1 | 0 | 0 | 0 | 108.7 | T856 T857 G858 I859 D861 | D854-T856 VanDerWaalsContact CG-OG1 3.28Å; D854-T856 PolarHBondContact O-N 2.85Å; D854-T856 WeakPolarHBondContact OD1-CA 3.32Å; D854-T856 WeakPolarHBondContact OD1-CB 3.2Å; D854-T856 PolarHBondContact OD1-N 2.85Å; D854-T856 PolarHBondContact OD1-OG1 3Å; D854-T856 PolarHBondContact OD2-OG1 3.25Å; D854-T856 VanDerWaalsContact OD2-OG1 3.05Å; D854-T857 WeakPolarHBondContact CB-OG1 3.4Å; D854-T857 VanDerWaalsContact CG-OG1 3.24Å; D854-T857 VanDerWaalsContact OD2-CB 3.3Å; D854-T857 WeakPolarHBondContact OD2-CB 3.1Å; D854-T857 WeakPolarHBondContact OD2-CG2 3.36Å; D854-T857 PolarHBondContact OD2-N 2.84Å; D854-T857 PolarHBondContact OD2-OG1 3.33Å; D854-G858 PolarHBondContact O-N 2.79Å; D854-I859 PolarHBondContact N-O 2.7Å; D854-D861 VanDerWaalsContact CA-OD1 3.31Å; D854-D861 WeakPolarHBondContact CA-OD1 3.29Å; D854-D861 PolarHBondContact N-OD1 3.32Å | ||
| 855 | P | 84.4 | Confident | 88.7 | Confident | 37 Ų | 37 | 35 Ų | 35 | 24% | 0.24 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.1 | -176.4 | 31.8 | -36.3 | 0 | 0 | 0 | 113.2 | H778 D835 R837 M853 | H778-P855 PolarHBondContact CE1-O 3.39Å; D835-P855 WeakPolarHBondContact O-CB 3.23Å; R837-P855 HydrophobicContact CG-CB 4.48Å; R837-P855 HydrophobicContact CG-CG 4Å; M853-P855 WeakPolarHBondContact O-CD 3.43Å |
| 856 | T | 84.6 | Confident | 88.1 | Confident | 111 Ų | 111 | 38.2 Ų | 38.2 | 68% | 0.681 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -44.6 | 177.6 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | D854 | D854-T856 VanDerWaalsContact CG-OG1 3.28Å; D854-T856 PolarHBondContact O-N 2.85Å; D854-T856 WeakPolarHBondContact OD1-CA 3.32Å; D854-T856 WeakPolarHBondContact OD1-CB 3.2Å; D854-T856 PolarHBondContact OD1-N 2.85Å; D854-T856 PolarHBondContact OD1-OG1 3Å; D854-T856 PolarHBondContact OD2-OG1 3.25Å; D854-T856 VanDerWaalsContact OD2-OG1 3.05Å |
| 857 | T | 85.8 | Confident | 87.5 | Confident | 51 Ų | 51 | 40 Ų | 40 | 31% | 0.313 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -24.4 | -178.6 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | L816 D854 I859 | L816-T857 WeakPolarHBondContact CD1-O 3.46Å; D854-T857 WeakPolarHBondContact CB-OG1 3.4Å; D854-T857 VanDerWaalsContact CG-OG1 3.24Å; D854-T857 VanDerWaalsContact OD2-CB 3.3Å; D854-T857 WeakPolarHBondContact OD2-CB 3.1Å; D854-T857 WeakPolarHBondContact OD2-CG2 3.36Å; D854-T857 PolarHBondContact OD2-N 2.84Å; D854-T857 PolarHBondContact OD2-OG1 3.33Å; T857-I859 WeakPolarHBondContact OG1-CB 3.2Å; T857-I859 PolarHBondContact OG1-N 2.96Å |
| 858 | G | 83.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 73.4 | 17.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L783 M853 D854 | L783-G858 VanDerWaalsContact CD1-CA 3.45Å; M853-G858 WeakPolarHBondContact CE-O 3.26Å; D854-G858 PolarHBondContact O-N 2.79Å |
| 859 | I | 88.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -103.7 | 152.8 | 175.6 | -71 | 172.3 | 0 | 0 | 0 | 107.8 | M853 D854 T857 A863 P867 A870 | M853-I859 VanDerWaalsContact CE-C 3.41Å; M853-I859 WeakPolarHBondContact CE-O 3.32Å; D854-I859 PolarHBondContact N-O 2.7Å; T857-I859 WeakPolarHBondContact OG1-CB 3.2Å; T857-I859 PolarHBondContact OG1-N 2.96Å; I859-A863 HydrophobicContact CG2-CB 3.53Å; I859-P867 HydrophobicContact CD1-CB 4.1Å; I859-A870 HydrophobicContact CB-CB 4.45Å; I859-A870 HydrophobicContact CG1-CB 4.18Å; I859-A870 HydrophobicContact CG2-CB 3.86Å |
| 860 | P | 89.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | trans | -67.2 | 142 | 178.9 | -8.8 | 22.8 | 0 | 0 | 0 | 111.1 | M817 L851 Q852 M853 A862 A863 A870 | M817-P860 HydrophobicContact CE-CG 3.9Å; M817-P860 HydrophobicContact SD-CG 4.43Å; L851-P860 HydrophobicContact CD1-CB 4.38Å; Q852-P860 WeakPolarHBondContact O-CA 3.42Å; M853-P860 HydrophobicContact SD-CB 4.28Å; M853-P860 HydrophobicContact SD-CG 4.41Å; P860-A862 PolarHBondContact O-N 3.14Å; P860-A862 VanDerWaalsContact O-N 3.08Å; P860-A863 VanDerWaalsContact O-CB 3.29Å; P860-A863 WeakPolarHBondContact O-CB 3.3Å; P860-A863 PolarHBondContact O-N 3.29Å; P860-A870 VanDerWaalsContact CG-O 3.28Å; P860-A870 WeakPolarHBondContact CG-O 3.41Å | ||
| 861 | D | 86.1 | Confident | 85.6 | Confident | 72 Ų | 72 | 51.6 Ų | 51.6 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -51.3 | -39.8 | 179.6 | -78.4 | -7 | 0 | 0 | 0 | 112.3 | Q852 D854 A863 C864 | Q852-D861 HydrophobicContact CG-CB 3.98Å; Q852-D861 WeakPolarHBondContact CG-OD2 3.48Å; Q852-D861 PolarHBondContact NE2-OD2 2.93Å; Q852-D861 PolarHBondContact O-N 3.26Å; D854-D861 VanDerWaalsContact CA-OD1 3.31Å; D854-D861 WeakPolarHBondContact CA-OD1 3.29Å; D854-D861 PolarHBondContact N-OD1 3.32Å; D861-A863 PolarHBondContact O-N 3.05Å; D861-A863 VanDerWaalsContact O-N 3.12Å; D861-C864 PolarHBondContact O-N 2.71Å |
| 862 | A | 84.7 | Confident | 85.3 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -68.8 | -4.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P860 | P860-A862 PolarHBondContact O-N 3.14Å; P860-A862 VanDerWaalsContact O-N 3.08Å |
| 863 | A | 86.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -90.3 | -6.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | I859 P860 D861 G865 D866 I869 A873 | I859-A863 HydrophobicContact CG2-CB 3.53Å; P860-A863 VanDerWaalsContact O-CB 3.29Å; P860-A863 WeakPolarHBondContact O-CB 3.3Å; P860-A863 PolarHBondContact O-N 3.29Å; D861-A863 PolarHBondContact O-N 3.05Å; D861-A863 VanDerWaalsContact O-N 3.12Å; A863-G865 PolarHBondContact O-N 2.96Å; A863-D866 WeakPolarHBondContact O-CB 3.36Å; A863-D866 PolarHBondContact O-N 3.12Å; A863-I869 HydrophobicContact CB-CD1 4.32Å; A863-I869 HydrophobicContact CB-CG1 3.93Å; A863-A873 HydrophobicContact CB-CB 3.82Å |
| 864 | C | 82 | Confident | 84.4 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 80% | 0.804 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 21.4 | -179.9 | -58.1 | 0 | 0 | 0 | 0 | 115.1 | D861 | D861-C864 PolarHBondContact O-N 2.71Š|
| 865 | G | 78.4 | Confident | 84.1 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -9.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A863 P867 | A863-G865 PolarHBondContact O-N 2.96Å; G865-P867 WeakPolarHBondContact O-CD 3.42Å |
| 866 | D | 82.4 | Confident | 84.3 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | trans | -74.7 | 115.3 | -177.2 | -74.5 | -34.8 | 0 | 0 | 0 | 112.1 | A863 E868 I869 A870 | A863-D866 WeakPolarHBondContact O-CB 3.36Å; A863-D866 PolarHBondContact O-N 3.12Å; D866-E868 VanDerWaalsContact C-N 3.35Å; D866-E868 PolarHBondContact O-N 3.4Å; D866-I869 HydrophobicContact CB-CD1 4.02Å; D866-I869 HydrophobicContact CB-CG1 3.77Å; D866-A870 PolarHBondContact O-N 3.16Å | ||
| 867 | P | 81.5 | Confident | 84.5 | Confident | 84 Ų | 84 | 59 Ų | 59 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -27.9 | -174.8 | 28.3 | -34.9 | 0 | 0 | 0 | 113.2 | I859 G865 I869 A870 | I859-P867 HydrophobicContact CD1-CB 4.1Å; G865-P867 WeakPolarHBondContact O-CD 3.42Å; P867-I869 VanDerWaalsContact C-N 3.33Å; P867-I869 PolarHBondContact O-N 3.21Å; P867-A870 WeakPolarHBondContact O-CB 3.08Å; P867-A870 PolarHBondContact O-N 3.1Å |
| 868 | E | 80.4 | Confident | 84.8 | Confident | 184 Ų | 184 | 59 Ų | 59 | 86% | 0.86 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -37.6 | -179.2 | -61 | -162.9 | 158.2 | 0 | 0 | 112.3 | D866 | D866-E868 VanDerWaalsContact C-N 3.35Å; D866-E868 PolarHBondContact O-N 3.4Å |
| 869 | I | 86.6 | Confident | 85.1 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6.5 | 179.6 | 65.9 | 175.7 | 0 | 0 | 0 | 113.4 | A863 D866 P867 S871 T872 A873 | A863-I869 HydrophobicContact CB-CD1 4.32Å; A863-I869 HydrophobicContact CB-CG1 3.93Å; D866-I869 HydrophobicContact CB-CD1 4.02Å; D866-I869 HydrophobicContact CB-CG1 3.77Å; P867-I869 VanDerWaalsContact C-N 3.33Å; P867-I869 PolarHBondContact O-N 3.21Å; I869-S871 PolarHBondContact O-N 2.98Å; I869-T872 PolarHBondContact O-N 3.26Å; I869-T872 PolarHBondContact O-OG1 3.34Å; I869-A873 HydrophobicContact CB-CB 4.26Å; I869-A873 HydrophobicContact CD1-CB 4.23Å; I869-A873 HydrophobicContact CG1-CB 4.1Å; I869-A873 VanDerWaalsContact O-CB 3.27Å; I869-A873 WeakPolarHBondContact O-CB 3.4Å; I869-A873 PolarHBondContact O-N 3.3Å |
| 870 | A | 84.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -32.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M817 R819 I859 P860 D866 P867 T872 | M817-A870 HydrophobicContact CG-CB 4.26Å; M817-A870 VanDerWaalsContact CG-O 3.26Å; M817-A870 WeakPolarHBondContact CG-O 3.19Å; R819-A870 PolarHBondContact NH2-O 2.94Å; I859-A870 HydrophobicContact CB-CB 4.45Å; I859-A870 HydrophobicContact CG1-CB 4.18Å; I859-A870 HydrophobicContact CG2-CB 3.86Å; P860-A870 VanDerWaalsContact CG-O 3.28Å; P860-A870 WeakPolarHBondContact CG-O 3.41Å; D866-A870 PolarHBondContact O-N 3.16Å; P867-A870 WeakPolarHBondContact O-CB 3.08Å; P867-A870 PolarHBondContact O-N 3.1Å; A870-T872 VanDerWaalsContact C-N 3.31Å; A870-T872 PolarHBondContact O-N 3.44Å |
| 871 | S | 86.6 | Confident | 85.1 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6 | -179.5 | -61.2 | 0 | 0 | 0 | 0 | 114.7 | R818 I869 | R818-S871 PolarHBondContact N-OG 2.9Å; I869-S871 PolarHBondContact O-N 2.98Å |
| 872 | T | 87 | Confident | 85.3 | Confident | 114 Ų | 114 | 64.2 Ų | 64.2 | 70% | 0.699 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.6 | -26.1 | -179.2 | 37.8 | 0 | 0 | 0 | 0 | 114.5 | I869 A870 | I869-T872 PolarHBondContact O-N 3.26Å; I869-T872 PolarHBondContact O-OG1 3.34Å; A870-T872 VanDerWaalsContact C-N 3.31Å; A870-T872 PolarHBondContact O-N 3.44Å |
| 873 | A | 82.1 | Confident | 85.4 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -74.9 | 135.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R819 A863 I869 | R819-A873 PolarHBondContact NH2-O 2.85Å; A863-A873 HydrophobicContact CB-CB 3.82Å; I869-A873 HydrophobicContact CB-CB 4.26Å; I869-A873 HydrophobicContact CD1-CB 4.23Å; I869-A873 HydrophobicContact CG1-CB 4.1Å; I869-A873 VanDerWaalsContact O-CB 3.27Å; I869-A873 WeakPolarHBondContact O-CB 3.4Å; I869-A873 PolarHBondContact O-N 3.3Å |
| 874 | G | 78.7 | Confident | 85.7 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 82.4 | 122.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R819 | R819-G874 PolarHBondContact NH1-O 3.43Š|
| 875 | Q | 83.4 | Confident | 86.3 | Confident | 181 Ų | 181 | 63.2 Ų | 63.2 | 85% | 0.846 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 135.4 | 176.7 | -179.7 | 169.6 | -23.2 | 0 | 0 | 110.5 | ||
| 876 | A | 88 | Confident | 87.1 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 137.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y822 R849 L850 | Y822-A876 HydrophobicContact CE2-CB 3.84Å; Y822-A876 VanDerWaalsContact OH-CB 3.25Å; Y822-A876 WeakPolarHBondContact OH-CB 3.36Å; R849-A876 HydrophobicContact CB-CB 4.33Å; L850-A876 CarbonylContact O-C 3.55Å; L850-A876 WeakPolarHBondContact O-CA 3.35Å; L850-A876 WeakPolarHBondContact O-CB 3.37Å |
| 877 | I | 88.9 | Confident | 87.7 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 123.3 | 173.8 | -62 | 152.3 | 0 | 0 | 0 | 107.5 | R849 L850 L879 Q929 | R849-I877 VanDerWaalsContact CA-O 3.32Å; R849-I877 WeakPolarHBondContact CA-O 3.31Å; L850-I877 HydrophobicContact CB-CB 4.35Å; L850-I877 PolarHBondContact N-O 3.03Å; L850-I877 PolarHBondContact O-N 2.85Å; I877-L879 HydrophobicContact CG2-CD2 3.79Å; I877-Q929 HydrophobicContact CD1-CB 4.15Å; I877-Q929 HydrophobicContact CD1-CG 3.55Å |
| 878 | E | 91.1 | Very high | 88.5 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 112.9 | -176.4 | -171.7 | -179.5 | 113.8 | 0 | 0 | 110.9 | K824 T847 R849 R880 | K824-E878 IonicContact NZ-OE1 3.98Å; T847-E878 HydrophobicContact CG2-CG 3.9Å; R849-E878 HydrophobicContact CG-CB 4.28Å; R849-E878 HydrophobicContact CG-CG 4.16Å; R849-E878 IonicContact CZ-OE2 3.27Å; R849-E878 VanDerWaalsContact CZ-OE2 3.27Å; R849-E878 IonicContact NE-OE2 2.73Å; R849-E878 PolarHBondContact NE-OE2 3.15Å; R849-E878 VanDerWaalsContact NE-OE2 3.08Å; R849-E878 IonicContact NH2-OE2 2.66Å; R849-E878 PolarHBondContact NH2-OE2 2.07Å; E878-R880 IonicContact OE1-CZ 3.11Å; E878-R880 IonicContact OE1-NE 2.75Å; E878-R880 PolarHBondContact OE1-NE 2.99Å; E878-R880 IonicContact OE1-NH2 2.65Å; E878-R880 PolarHBondContact OE1-NH2 3.41Å |
| 879 | L | 90.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 140 | 178 | -41.2 | 178.6 | 0 | 0 | 0 | 109.8 | T847 I848 L850 I877 Y881 V923 A928 Y943 | T847-L879 WeakPolarHBondContact CA-O 3.22Å; I848-L879 HydrophobicContact CB-CB 4.32Å; I848-L879 HydrophobicContact CG2-CD1 4.21Å; I848-L879 PolarHBondContact N-O 2.84Å; I848-L879 PolarHBondContact O-N 2.8Å; L850-L879 HydrophobicContact CD1-CD1 4.15Å; L850-L879 HydrophobicContact CG-CD1 4.25Å; I877-L879 HydrophobicContact CG2-CD2 3.79Å; L879-Y881 HydrophobicContact CB-CD1 4.09Å; L879-Y881 HydrophobicContact CB-CE1 3.67Å; L879-Y881 HydrophobicContact CD1-CE1 4.04Å; L879-Y881 HydrophobicContact CG-CE1 4.5Å; L879-V923 HydrophobicContact CD1-CG1 4.1Å; L879-A928 HydrophobicContact CD2-CB 3.89Å; L879-Y943 HydrophobicContact CB-CE2 4.2Å; L879-Y943 HydrophobicContact CD1-CE2 4.49Å; L879-Y943 HydrophobicContact CD2-CD2 4.36Å; L879-Y943 HydrophobicContact CD2-CE1 4.24Å; L879-Y943 HydrophobicContact CD2-CE2 3.9Å; L879-Y943 HydrophobicContact CG-CE2 4.42Å |
| 880 | R | 89.6 | Confident | 89.6 | Confident | 152 Ų | 152 | 44.6 Ų | 44.6 | 57% | 0.574 | 24% | 0.238 | S | C | * | . | trans | -140.1 | 96.8 | 178.6 | -62.5 | -165.1 | -161.2 | 154.2 | 9.7 | 111 | T847 E878 | T847-R880 HydrophobicContact CG2-CG 3.75Å; E878-R880 IonicContact OE1-CZ 3.11Å; E878-R880 IonicContact OE1-NE 2.75Å; E878-R880 PolarHBondContact OE1-NE 2.99Å; E878-R880 IonicContact OE1-NH2 2.65Å; E878-R880 PolarHBondContact OE1-NH2 3.41Å | ||
| 881 | Y | 88.8 | Confident | 89.9 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | trans | -141.2 | -12.1 | 176.2 | 51.9 | -99.4 | 0 | 0 | 0 | 113.6 | I848 L879 S912 Y921 V923 Y943 V944 | I848-Y881 HydrophobicContact CD1-CE2 4.21Å; I848-Y881 WeakPolarHBondContact CD1-OH 3.38Å; L879-Y881 HydrophobicContact CB-CD1 4.09Å; L879-Y881 HydrophobicContact CB-CE1 3.67Å; L879-Y881 HydrophobicContact CD1-CE1 4.04Å; L879-Y881 HydrophobicContact CG-CE1 4.5Å; Y881-S912 WeakPolarHBondContact CE2-OG 3.34Å; Y881-S912 PolarHBondContact OH-OG 3.1Å; Y881-S912 VanDerWaalsContact OH-OG 3.04Å; Y881-Y921 AromaticContact CD2-CD1 3.73Å; Y881-Y921 HydrophobicContact CD2-CD1 3.73Å; Y881-Y921 AromaticContact CD2-CD2 3.86Å; Y881-Y921 HydrophobicContact CD2-CD2 3.86Å; Y881-Y921 HydrophobicContact CD2-CE1 4.13Å; Y881-Y921 HydrophobicContact CD2-CE2 4.25Å; Y881-Y921 AromaticContact CD2-CG 3.57Å; Y881-Y921 HydrophobicContact CD2-CG 3.57Å; Y881-Y921 HydrophobicContact CE2-CD1 4.2Å; Y881-Y921 AromaticContact CE2-CD2 3.99Å; Y881-Y921 HydrophobicContact CE2-CD2 3.99Å; Y881-Y921 AromaticContact CE2-CG 3.65Å; Y881-Y921 HydrophobicContact CE2-CG 3.65Å; Y881-Y921 HydrophobicContact CG-CD1 4.49Å; Y881-V923 HydrophobicContact CE1-CG2 3.64Å; Y881-V923 HydrophobicContact CE2-CG2 4.48Å; Y881-V923 WeakPolarHBondContact OH-CG2 3.39Å; Y881-Y943 AromaticContact CD1-CE2 3.83Å; Y881-Y943 HydrophobicContact CD1-CE2 3.83Å; Y881-Y943 HydrophobicContact CE1-CE2 4.01Å; Y881-V944 HydrophobicContact CD1-CG2 3.9Å; Y881-V944 HydrophobicContact CE1-CG2 4.34Å; Y881-V944 HydrophobicContact CG-CG2 4.02Å | ||
| 882 | H | 90 | Very high | 90 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | trans | -83.4 | 144.5 | 164.6 | -75.3 | -67.2 | 0 | 0 | 0 | 110.6 | T846 V886 S912 G914 D917 Y921 | T846-H882 WeakPolarHBondContact CB-O 3.44Å; T846-H882 PolarHBondContact OG1-O 2.83Å; H882-V886 HydrophobicContact CB-CG2 4.29Å; H882-S912 PolarHBondContact NE2-OG 2.84Å; H882-G914 PolarHBondContact CE1-N 2.86Å; H882-D917 WeakPolarHBondContact CA-OD2 3.35Å; H882-D917 IonicContact CE1-OD2 3.35Å; H882-D917 IonicContact CG-OD2 3.74Å; H882-D917 IonicContact ND1-OD1 3.86Å; H882-D917 IonicContact ND1-OD2 2.71Å; H882-D917 PolarHBondContact ND1-OD2 2.9Å; H882-Y921 AromaticContact CE1-CD2 3.37Å; H882-Y921 WeakPolarHBondContact CE1-CD2 3.2Å; H882-Y921 AromaticContact CE1-CE2 3.73Å; H882-Y921 AromaticContact ND1-CD2 3.8Å; H882-Y921 AromaticContact ND1-CE2 3.69Å; H882-Y921 AromaticContact NE2-CD2 3.9Å | ||
| 883 | D | 87.1 | Confident | 89.3 | Confident | 108 Ų | 108 | 42 Ų | 42 | 58% | 0.578 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -92.4 | -13.6 | 176.3 | 64.9 | -0.6 | 0 | 0 | 0 | 113.7 | G916 D917 | D883-G916 WeakPolarHBondContact OD1-CA 3.28Å; D883-D917 WeakPolarHBondContact OD1-CB 3.4Å; D883-D917 PolarHBondContact OD1-N 3.08Å; D883-D917 PolarHBondContact OD2-N 3.27Å |
| 884 | G | 91 | Very high | 88.3 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -132.4 | -162.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T846 V886 | T846-G884 VanDerWaalsContact CA-O 3.32Å; T846-G884 WeakPolarHBondContact CA-O 3.4Å; T846-G884 VanDerWaalsContact CB-O 3.27Å; T846-G884 WeakPolarHBondContact CB-O 3.42Å; T846-G884 WeakPolarHBondContact CG2-O 3.34Å; G884-V886 PolarHBondContact O-N 2.91Å |
| 885 | T | 94.9 | Very high | 86.8 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | trans | -68.3 | 129.6 | 178 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | Y828 N844 A915 | Y828-T885 HydrophobicContact CD1-CG2 4.18Å; Y828-T885 HydrophobicContact CD2-CG2 4Å; Y828-T885 HydrophobicContact CE1-CG2 4.34Å; Y828-T885 HydrophobicContact CE2-CG2 4.18Å; Y828-T885 HydrophobicContact CG-CG2 3.99Å; N844-T885 HydrophobicContact CB-CG2 3.78Å; N844-T885 WeakPolarHBondContact CB-OG1 3.42Å; T885-A915 VanDerWaalsContact O-CB 3.3Å; T885-A915 WeakPolarHBondContact O-CB 3.44Å; T885-A915 PolarHBondContact O-N 3.2Å | ||
| 886 | V | 96.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 122.5 | 170.6 | -170.1 | 0 | 0 | 0 | 0 | 108.5 | Y828 S843 I848 H882 G884 I889 | Y828-V886 WeakPolarHBondContact CB-O 3.18Å; S843-V886 PolarHBondContact O-N 3.42Å; S843-V886 VanDerWaalsContact O-N 3.1Å; I848-V886 HydrophobicContact CD1-CG1 3.94Å; I848-V886 HydrophobicContact CD1-CG2 4.3Å; I848-V886 HydrophobicContact CG1-CB 4.45Å; I848-V886 HydrophobicContact CG1-CG1 3.94Å; I848-V886 HydrophobicContact CG1-CG2 3.94Å; H882-V886 HydrophobicContact CB-CG2 4.29Å; G884-V886 PolarHBondContact O-N 2.91Å; V886-I889 HydrophobicContact CG1-CG2 3.96Å |
| 887 | R | 95.5 | Very high | 82.3 | Confident | 50 Ų | 50 | 50 Ų | 50 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -51.3 | -167.1 | -71.1 | -69.6 | -70 | 160.5 | -5.6 | 113 | C829 S913 A915 V955 Y956 | C829-R887 WeakPolarHBondContact CB-O 3.37Å; R887-S913 PolarHBondContact N-O 2.82Å; R887-A915 HydrophobicContact CG-CB 3.8Å; R887-V955 WeakPolarHBondContact CB-O 3.43Å; R887-Y956 HydrophobicContact CG-CD1 4.31Å; R887-Y956 VanDerWaalsContact NH2-CD1 3.34Å |
| 888 | D | 96.5 | Very high | 79.5 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 157.6 | 174.5 | -150.5 | 1 | 0 | 0 | 0 | 110.7 | S913 S957 L958 | D888-S913 PolarHBondContact N-OG 2.84Å; D888-S913 VanDerWaalsContact N-OG 3.16Å; D888-S913 PolarHBondContact O-N 3.32Å; D888-S913 PolarHBondContact O-OG 2.9Å; D888-S957 VanDerWaalsContact OD2-CA 3.28Å; D888-S957 WeakPolarHBondContact OD2-CA 3.29Å; D888-S957 PolarHBondContact OD2-OG 2.91Å; D888-S957 VanDerWaalsContact OD2-OG 3.11Å; D888-L958 HydrophobicContact CB-CG 4.39Å; D888-L958 PolarHBondContact OD2-N 3.1Å |
| 889 | I | 96.2 | Very high | 76.6 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 141.1 | 178.5 | 53.3 | 174.9 | 0 | 0 | 0 | 109.9 | C829 A831 A840 I848 V886 L910 L911 | C829-I889 HydrophobicContact CB-CG1 3.96Å; A831-I889 HydrophobicContact CB-CD1 4.16Å; A831-I889 HydrophobicContact CB-CG1 3.97Å; A840-I889 HydrophobicContact CB-CD1 3.87Å; A840-I889 VanDerWaalsContact O-CD1 3.28Å; A840-I889 WeakPolarHBondContact O-CD1 3.17Å; I848-I889 HydrophobicContact CD1-CG2 4.45Å; V886-I889 HydrophobicContact CG1-CG2 3.96Å; I889-L910 HydrophobicContact CB-CD1 4.26Å; I889-L911 WeakPolarHBondContact CA-O 3.19Å |
| 890 | A | 94.2 | Very high | 73.9 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 132.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L911 L958 V960 | A890-L911 PolarHBondContact N-O 2.94Å; A890-L911 WeakPolarHBondContact O-CB 3.39Å; A890-L911 PolarHBondContact O-N 2.88Å; A890-L958 HydrophobicContact CB-CB 4.3Å; A890-V960 HydrophobicContact CB-CG2 4.28Å |
| 891 | F | 91.7 | Very high | 71.2 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 139 | 167.8 | -72.4 | -91.4 | 0 | 0 | 0 | 109.8 | A831 W832 P834 I838 A840 H909 L910 V960 | A831-F891 HydrophobicContact CB-CD2 4.11Å; A831-F891 HydrophobicContact CB-CE2 4.26Å; W832-F891 VanDerWaalsContact C-CE2 3.5Å; W832-F891 WeakPolarHBondContact O-CD2 3.37Å; P834-F891 HydrophobicContact CG-CB 4.4Å; I838-F891 HydrophobicContact CB-CZ 4.18Å; I838-F891 HydrophobicContact CG2-CZ 4.02Å; A840-F891 HydrophobicContact CB-CE2 3.72Å; A840-F891 HydrophobicContact CB-CZ 3.79Å; F891-H909 CarbonylContact C-O 3.52Å; F891-H909 WeakPolarHBondContact CA-O 3.34Å; F891-L910 HydrophobicContact CD1-CB 4.29Å; F891-L910 HydrophobicContact CD1-CD1 4.15Å; F891-L910 HydrophobicContact CD2-CD1 3.94Å; F891-L910 HydrophobicContact CE1-CB 4.22Å; F891-L910 HydrophobicContact CE1-CD1 4.14Å; F891-L910 HydrophobicContact CE2-CD1 3.93Å; F891-L910 HydrophobicContact CG-CD1 4.07Å; F891-L910 HydrophobicContact CZ-CD1 4.04Å; F891-V960 WeakPolarHBondContact O-CG2 3.38Å |
| 892 | L | 87.6 | Confident | 68.6 | Low | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 141.7 | 170.8 | -70.9 | 173 | 0 | 0 | 0 | 110.5 | S907 H909 L911 L922 V960 L981 | L892-S907 PolarHBondContact O-OG 3.12Å; L892-H909 HydrophobicContact CB-CB 4.23Å; L892-H909 HydrophobicContact CD1-CB 3.9Å; L892-H909 HydrophobicContact CG-CB 4.42Å; L892-H909 PolarHBondContact N-O 2.96Å; L892-L911 HydrophobicContact CD2-CD1 3.69Å; L892-L911 HydrophobicContact CD2-CG 4.2Å; L892-L911 HydrophobicContact CG-CD1 4.22Å; L892-L911 HydrophobicContact CG-CG 4.2Å; L892-L922 HydrophobicContact CD1-CD1 3.65Å; L892-V960 HydrophobicContact CD2-CG2 4.3Å; L892-L981 HydrophobicContact CD1-CD1 3.53Å |
| 893 | L | 73.2 | Confident | 65.9 | Low | 79 Ų | 79 | 69.2 Ų | 69.2 | 41% | 0.414 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 132.3 | 169.9 | -66.3 | 175.7 | 0 | 0 | 0 | 109.1 | P834 V960 G964 | P834-L893 HydrophobicContact CB-CD2 4.37Å; P834-L893 HydrophobicContact CG-CD2 4.25Å; L893-V960 HydrophobicContact CD1-CG1 4.28Å; L893-V960 HydrophobicContact CG-CG1 4.26Å; L893-G964 PolarHBondContact O-N 3.19Å |
| 894 | G | 60.7 | Low | 63.4 | Low | 29 Ų | 29 | 67.8 Ų | 67.8 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 164.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S907 P963 | G894-S907 WeakPolarHBondContact CA-OG 3.46Å; G894-S907 PolarHBondContact N-OG 3.14Å; G894-P963 WeakPolarHBondContact O-CB 3.21Å |
| 895 | S | 47.6 | Very low | 61.1 | Low | 100 Ų | 100 | 70.9 Ų | 70.9 | 70% | 0.699 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -54.5 | 144.2 | 164.3 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 896 | Y | 40.9 | Very low | 59.1 | Low | 158 Ų | 158 | 72.1 Ų | 72.1 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -46.1 | 136.1 | -178 | -44.2 | -87.6 | 0 | 0 | 0 | 111.6 | C898 P963 | Y896-C898 PolarHBondContact O-N 2.93Å; Y896-P963 HydrophobicContact CD1-CB 4.09Å; Y896-P963 HydrophobicContact CD1-CG 4.15Å; Y896-P963 HydrophobicContact CE1-CB 3.67Å; Y896-P963 HydrophobicContact CE1-CG 3.64Å; Y896-P963 HydrophobicContact CE2-CB 4.47Å |
| 897 | P | 35.4 | Very low | 57.2 | Low | 122 Ų | 122 | 73 Ų | 73 | 79% | 0.792 | 45% | 0.448 | S | S | * | . | trans | -66.5 | 106.2 | 178.2 | 27.1 | -33.3 | 0 | 0 | 0 | 109.8 | ||||
| 898 | C | 29.3 | Very low | 56.1 | Low | 95 Ų | 95 | 71.2 Ų | 71.2 | 64% | 0.642 | 44% | 0.443 | S | S | * | . | trans | -59.7 | 140.7 | 166.9 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | Y896 D900 | Y896-C898 PolarHBondContact O-N 2.93Å; C898-D900 VanDerWaalsContact C-N 3.26Å; C898-D900 PolarHBondContact O-N 2.63Å; C898-D900 VanDerWaalsContact O-N 3.11Å | ||
| 899 | S | 31.9 | Very low | 55.7 | Low | 111 Ų | 111 | 73.9 Ų | 73.9 | 78% | 0.776 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.7 | -163.2 | 34.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 900 | D | 33.1 | Very low | 55.5 | Low | 141 Ų | 141 | 73.6 Ų | 73.6 | 75% | 0.754 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 6.9 | -157.5 | -60.8 | -81.9 | 0 | 0 | 0 | 115.7 | C898 | C898-D900 VanDerWaalsContact C-N 3.26Å; C898-D900 PolarHBondContact O-N 2.63Å; C898-D900 VanDerWaalsContact O-N 3.11Å |
| 901 | T | 32.9 | Very low | 55.5 | Low | 84 Ų | 84 | 72.8 Ų | 72.8 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | trans | -131 | 114.2 | 176.4 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | T903 | T901-T903 PolarHBondContact O-N 3.34Š| ||
| 902 | V | 35.4 | Very low | 55.7 | Low | 153 Ų | 153 | 72.1 Ų | 72.1 | 93% | 0.927 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 23.2 | -176.1 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 903 | T | 31.5 | Very low | 56 | Low | 121 Ų | 121 | 71.8 Ų | 71.8 | 74% | 0.742 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.4 | -0.8 | -162.1 | 47.6 | 0 | 0 | 0 | 0 | 115.4 | T901 A905 | T901-T903 PolarHBondContact O-N 3.34Å; T903-A905 PolarHBondContact O-N 2.87Å |
| 904 | S | 34.4 | Very low | 56.7 | Low | 79 Ų | 79 | 68 Ų | 68 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 117.3 | 169.2 | 50.1 | 0 | 0 | 0 | 0 | 110 | ||
| 905 | A | 44.2 | Very low | 58 | Low | 79 Ų | 79 | 68.2 Ų | 68.2 | 65% | 0.653 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 133.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T903 | T903-A905 PolarHBondContact O-N 2.87Š|
| 906 | P | 51.6 | Low | 59.9 | Low | 61 Ų | 61 | 65.5 Ų | 65.5 | 40% | 0.396 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 142.4 | 175.8 | 26 | -33.2 | 0 | 0 | 0 | 110 | D835 S908 | D835-P906 HydrophobicContact CB-CB 3.98Å; D835-P906 HydrophobicContact CB-CG 4.12Å; D835-P906 WeakPolarHBondContact OD2-CG 3.41Å; P906-S908 PolarHBondContact O-N 2.9Å |
| 907 | S | 56.9 | Low | 62.1 | Low | 19 Ų | 19 | 59.2 Ų | 59.2 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | trans | -61.3 | 101.9 | -169.7 | 44.1 | 0 | 0 | 0 | 0 | 112.9 | L892 G894 H909 | L892-S907 PolarHBondContact O-OG 3.12Å; G894-S907 WeakPolarHBondContact CA-OG 3.46Å; G894-S907 PolarHBondContact N-OG 3.14Å; S907-H909 PolarHBondContact O-N 2.78Å | ||
| 908 | S | 72.6 | Confident | 64.8 | Low | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | trans | -69 | 8.9 | 175.6 | 57 | 0 | 0 | 0 | 0 | 114.3 | P906 D924 C925 N926 | P906-S908 PolarHBondContact O-N 2.9Å; S908-D924 PolarHBondContact OG-OD1 2.84Å; S908-C925 WeakPolarHBondContact O-CB 3.37Å; S908-C925 PolarHBondContact O-N 3.03Å; S908-C925 PolarHBondContact O-SG 2.88Å; S908-N926 WeakPolarHBondContact CB-ND2 3.39Å; S908-N926 VanDerWaalsContact CB-OD1 3.23Å; S908-N926 WeakPolarHBondContact CB-OD1 3.19Å; S908-N926 PolarHBondContact OG-ND2 2.6Å | ||
| 909 | H | 87.7 | Confident | 67.7 | Low | 64 Ų | 64 | 54.4 Ų | 54.4 | 30% | 0.296 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.9 | -168.7 | -68.5 | 115.7 | 0 | 0 | 0 | 112.1 | F891 L892 S907 L922 V923 | F891-H909 CarbonylContact C-O 3.52Å; F891-H909 WeakPolarHBondContact CA-O 3.34Å; L892-H909 HydrophobicContact CB-CB 4.23Å; L892-H909 HydrophobicContact CD1-CB 3.9Å; L892-H909 HydrophobicContact CG-CB 4.42Å; L892-H909 PolarHBondContact N-O 2.96Å; S907-H909 PolarHBondContact O-N 2.78Å; H909-L922 HydrophobicContact CB-CD1 4.08Å; H909-V923 CarbonylContact C-O 3.58Å; H909-V923 VanDerWaalsContact CA-O 3.32Å; H909-V923 WeakPolarHBondContact CA-O 3.36Å |
| 910 | L | 92.6 | Very high | 70.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.7 | 178.2 | -177.6 | 65.9 | 0 | 0 | 0 | 110.5 | A840 I848 L850 I889 F891 V923 | A840-L910 HydrophobicContact CB-CD1 4.2Å; A840-L910 HydrophobicContact CB-CD2 4.02Å; I848-L910 HydrophobicContact CG2-CD2 4.1Å; L850-L910 HydrophobicContact CD2-CD2 3.88Å; I889-L910 HydrophobicContact CB-CD1 4.26Å; F891-L910 HydrophobicContact CD1-CB 4.29Å; F891-L910 HydrophobicContact CD1-CD1 4.15Å; F891-L910 HydrophobicContact CD2-CD1 3.94Å; F891-L910 HydrophobicContact CE1-CB 4.22Å; F891-L910 HydrophobicContact CE1-CD1 4.14Å; F891-L910 HydrophobicContact CE2-CD1 3.93Å; F891-L910 HydrophobicContact CG-CD1 4.07Å; F891-L910 HydrophobicContact CZ-CD1 4.04Å; L910-V923 PolarHBondContact N-O 3.5Å; L910-V923 PolarHBondContact O-N 2.93Å |
| 911 | L | 94.1 | Very high | 73.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 140.7 | 162.4 | -64.6 | 169.9 | 0 | 0 | 0 | 110.1 | I889 A890 L892 I920 Y921 L922 M948 L958 F967 | I889-L911 WeakPolarHBondContact CA-O 3.19Å; A890-L911 PolarHBondContact N-O 2.94Å; A890-L911 WeakPolarHBondContact O-CB 3.39Å; A890-L911 PolarHBondContact O-N 2.88Å; L892-L911 HydrophobicContact CD2-CD1 3.69Å; L892-L911 HydrophobicContact CD2-CG 4.2Å; L892-L911 HydrophobicContact CG-CD1 4.22Å; L892-L911 HydrophobicContact CG-CG 4.2Å; L911-I920 HydrophobicContact CD2-CG2 4.42Å; L911-Y921 VanDerWaalsContact CA-O 3.31Å; L911-Y921 WeakPolarHBondContact CA-O 3.29Å; L911-L922 HydrophobicContact CD2-CB 4.38Å; L911-L922 HydrophobicContact CD2-CD1 3.85Å; L911-L922 HydrophobicContact CG-CD1 4.45Å; L911-M948 HydrophobicContact CD2-CE 3.97Å; L911-L958 HydrophobicContact CB-CD1 3.92Å; L911-F967 HydrophobicContact CD1-CB 3.87Å; L911-F967 HydrophobicContact CD1-CD1 3.61Å; L911-F967 HydrophobicContact CD1-CD2 3.8Å; L911-F967 HydrophobicContact CD1-CE1 4.05Å; L911-F967 HydrophobicContact CD1-CE2 4.24Å; L911-F967 HydrophobicContact CD1-CG 3.47Å; L911-F967 VanDerWaalsContact CD1-CG 3.47Å; L911-F967 HydrophobicContact CD1-CZ 4.35Å; L911-F967 HydrophobicContact CD2-CD1 4.23Å; L911-F967 HydrophobicContact CD2-CE1 3.86Å; L911-F967 HydrophobicContact CD2-CZ 4.05Å |
| 912 | S | 95.5 | Very high | 76.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 144.6 | 171.5 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | I848 Y881 H882 I920 Y921 | I848-S912 VanDerWaalsContact CD1-CB 3.43Å; I848-S912 WeakPolarHBondContact CD1-OG 3.45Å; Y881-S912 WeakPolarHBondContact CE2-OG 3.34Å; Y881-S912 PolarHBondContact OH-OG 3.1Å; Y881-S912 VanDerWaalsContact OH-OG 3.04Å; H882-S912 PolarHBondContact NE2-OG 2.84Å; S912-I920 WeakPolarHBondContact O-CA 3.35Å; S912-Y921 PolarHBondContact N-O 3.42Å; S912-Y921 PolarHBondContact O-N 2.93Å |
| 913 | S | 94.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.6 | -177.7 | 80.1 | 0 | 0 | 0 | 0 | 113.2 | R887 D888 V955 | R887-S913 PolarHBondContact N-O 2.82Å; D888-S913 PolarHBondContact N-OG 2.84Å; D888-S913 VanDerWaalsContact N-OG 3.16Å; D888-S913 PolarHBondContact O-N 3.32Å; D888-S913 PolarHBondContact O-OG 2.9Å; S913-V955 PolarHBondContact OG-O 2.9Å |
| 914 | G | 87.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 157.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H882 D917 R919 V955 | H882-G914 PolarHBondContact CE1-N 2.86Å; G914-D917 WeakPolarHBondContact CA-OD1 3.38Å; G914-R919 PolarHBondContact N-O 2.94Å; G914-R919 VanDerWaalsContact N-O 3.1Å; G914-V955 PolarHBondContact O-N 3.32Å; G914-V955 VanDerWaalsContact O-N 3.11Å |
| 915 | A | 88.9 | Confident | 84.2 | Confident | 34 Ų | 34 | 24.4 Ų | 24.4 | 28% | 0.281 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -103 | -14.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T885 R887 A954 | T885-A915 VanDerWaalsContact O-CB 3.3Å; T885-A915 WeakPolarHBondContact O-CB 3.44Å; T885-A915 PolarHBondContact O-N 3.2Å; R887-A915 HydrophobicContact CG-CB 3.8Å; A915-A954 HydrophobicContact CB-CB 3.87Å |
| 916 | G | 86.6 | Confident | 86 | Confident | 42 Ų | 42 | 24 Ų | 24 | 43% | 0.433 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -96.9 | -72.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | D883 S918 | D883-G916 WeakPolarHBondContact OD1-CA 3.28Å; G916-S918 PolarHBondContact O-N 3.11Å; G916-S918 PolarHBondContact O-OG 3.42Å |
| 917 | D | 88 | Confident | 87.5 | Confident | 26 Ų | 26 | 26.5 Ų | 26.5 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -50.9 | -22.5 | 176.5 | 53.7 | 42.6 | 0 | 0 | 0 | 115.3 | H882 D883 G914 R919 | H882-D917 WeakPolarHBondContact CA-OD2 3.35Å; H882-D917 IonicContact CE1-OD2 3.35Å; H882-D917 IonicContact CG-OD2 3.74Å; H882-D917 IonicContact ND1-OD1 3.86Å; H882-D917 IonicContact ND1-OD2 2.71Å; H882-D917 PolarHBondContact ND1-OD2 2.9Å; D883-D917 WeakPolarHBondContact OD1-CB 3.4Å; D883-D917 PolarHBondContact OD1-N 3.08Å; D883-D917 PolarHBondContact OD2-N 3.27Å; G914-D917 WeakPolarHBondContact CA-OD1 3.38Å; D917-R919 HydrophobicContact CB-CB 4.18Å; D917-R919 HydrophobicContact CB-CG 4.27Å; D917-R919 WeakPolarHBondContact O-CG 3.1Å; D917-R919 PolarHBondContact O-N 2.88Å; D917-R919 PolarHBondContact OD1-N 3.11Å |
| 918 | S | 91.3 | Very high | 88.6 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 12% | 0.119 | 14% | 0.135 | C | C | . | . | trans | 55.4 | 28 | -173.6 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | G916 A953 | G916-S918 PolarHBondContact O-N 3.11Å; G916-S918 PolarHBondContact O-OG 3.42Å; S918-A953 WeakPolarHBondContact CB-O 3.4Å; S918-A953 WeakPolarHBondContact OG-CA 3.26Å; S918-A953 PolarHBondContact OG-O 3.24Å | ||
| 919 | R | 91.4 | Very high | 88.7 | Confident | 99 Ų | 99 | 29.4 Ų | 29.4 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | trans | -108.5 | 159.3 | -175 | -75.9 | 172.9 | -170.2 | -139 | 1.9 | 112.4 | G914 D917 Y921 S947 | G914-R919 PolarHBondContact N-O 2.94Å; G914-R919 VanDerWaalsContact N-O 3.1Å; D917-R919 HydrophobicContact CB-CB 4.18Å; D917-R919 HydrophobicContact CB-CG 4.27Å; D917-R919 WeakPolarHBondContact O-CG 3.1Å; D917-R919 PolarHBondContact O-N 2.88Å; D917-R919 PolarHBondContact OD1-N 3.11Å; R919-Y921 HydrophobicContact CB-CD2 4.16Å; R919-Y921 HydrophobicContact CB-CE2 3.54Å; R919-Y921 WeakPolarHBondContact CD-OH 3.08Å; R919-S947 PolarHBondContact NH1-OG 3.44Å | ||
| 920 | I | 94.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125 | 171.6 | -50 | 175.2 | 0 | 0 | 0 | 107.4 | L911 S912 M948 V955 L958 F967 S969 W979 | L911-I920 HydrophobicContact CD2-CG2 4.42Å; S912-I920 WeakPolarHBondContact O-CA 3.35Å; I920-M948 HydrophobicContact CB-CB 4.43Å; I920-M948 HydrophobicContact CB-CE 4.22Å; I920-M948 HydrophobicContact CG2-CE 3.92Å; I920-M948 PolarHBondContact N-O 3.36Å; I920-M948 WeakPolarHBondContact O-CB 3.47Å; I920-M948 PolarHBondContact O-N 2.86Å; I920-V955 HydrophobicContact CD1-CG1 4.17Å; I920-V955 HydrophobicContact CG1-CG1 4.21Å; I920-V955 HydrophobicContact CG1-CG2 4.43Å; I920-L958 HydrophobicContact CD1-CD2 4.08Å; I920-L958 HydrophobicContact CG2-CD2 4.14Å; I920-F967 HydrophobicContact CD1-CE2 3.98Å; I920-F967 HydrophobicContact CG2-CE2 4.01Å; I920-F967 HydrophobicContact CG2-CZ 4.1Å; I920-S969 VanDerWaalsContact CD1-CB 3.42Å; I920-S969 WeakPolarHBondContact CD1-OG 3.34Å; I920-W979 HydrophobicContact CD1-CZ2 4.11Å |
| 921 | Y | 93.6 | Very high | 86.5 | Confident | 27 Ų | 27 | 35 Ų | 35 | 11% | 0.106 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 145.5 | -179.9 | -69.2 | -100.7 | 0 | 0 | 0 | 110.5 | Y881 H882 L911 S912 R919 V944 R946 | Y881-Y921 AromaticContact CD2-CD1 3.73Å; Y881-Y921 HydrophobicContact CD2-CD1 3.73Å; Y881-Y921 AromaticContact CD2-CD2 3.86Å; Y881-Y921 HydrophobicContact CD2-CD2 3.86Å; Y881-Y921 HydrophobicContact CD2-CE1 4.13Å; Y881-Y921 HydrophobicContact CD2-CE2 4.25Å; Y881-Y921 AromaticContact CD2-CG 3.57Å; Y881-Y921 HydrophobicContact CD2-CG 3.57Å; Y881-Y921 HydrophobicContact CE2-CD1 4.2Å; Y881-Y921 AromaticContact CE2-CD2 3.99Å; Y881-Y921 HydrophobicContact CE2-CD2 3.99Å; Y881-Y921 AromaticContact CE2-CG 3.65Å; Y881-Y921 HydrophobicContact CE2-CG 3.65Å; Y881-Y921 HydrophobicContact CG-CD1 4.49Å; H882-Y921 AromaticContact CE1-CD2 3.37Å; H882-Y921 WeakPolarHBondContact CE1-CD2 3.2Å; H882-Y921 AromaticContact CE1-CE2 3.73Å; H882-Y921 AromaticContact ND1-CD2 3.8Å; H882-Y921 AromaticContact ND1-CE2 3.69Å; H882-Y921 AromaticContact NE2-CD2 3.9Å; L911-Y921 VanDerWaalsContact CA-O 3.31Å; L911-Y921 WeakPolarHBondContact CA-O 3.29Å; S912-Y921 PolarHBondContact N-O 3.42Å; S912-Y921 PolarHBondContact O-N 2.93Å; R919-Y921 HydrophobicContact CB-CD2 4.16Å; R919-Y921 HydrophobicContact CB-CE2 3.54Å; R919-Y921 WeakPolarHBondContact CD-OH 3.08Å; Y921-V944 HydrophobicContact CD1-CG1 3.86Å; Y921-R946 WeakPolarHBondContact CA-O 3.47Å |
| 922 | L | 92.4 | Very high | 84.8 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.6 | 168.3 | -179.7 | 67.7 | 0 | 0 | 0 | 108.4 | L892 H909 L911 V945 R946 M948 L981 | L892-L922 HydrophobicContact CD1-CD1 3.65Å; H909-L922 HydrophobicContact CB-CD1 4.08Å; L911-L922 HydrophobicContact CD2-CB 4.38Å; L911-L922 HydrophobicContact CD2-CD1 3.85Å; L911-L922 HydrophobicContact CG-CD1 4.45Å; L922-V945 HydrophobicContact CD2-CB 4.07Å; L922-V945 HydrophobicContact CD2-CG1 3.98Å; L922-V945 HydrophobicContact CG-CB 4.13Å; L922-V945 PolarHBondContact O-N 3.12Å; L922-R946 HydrophobicContact CB-CB 3.97Å; L922-R946 HydrophobicContact CD2-CB 4.4Å; L922-R946 PolarHBondContact N-O 2.96Å; L922-R946 PolarHBondContact O-N 3Å; L922-M948 HydrophobicContact CB-CE 4.41Å; L922-L981 HydrophobicContact CD1-CD1 4.39Å; L922-L981 HydrophobicContact CD2-CD1 3.96Å; L922-L981 HydrophobicContact CD2-CD2 4.08Å |
| 923 | V | 90.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.5 | 178.8 | 166 | 0 | 0 | 0 | 0 | 110.8 | L879 Y881 H909 L910 Y943 V944 | L879-V923 HydrophobicContact CD1-CG1 4.1Å; Y881-V923 HydrophobicContact CE1-CG2 3.64Å; Y881-V923 HydrophobicContact CE2-CG2 4.48Å; Y881-V923 WeakPolarHBondContact OH-CG2 3.39Å; H909-V923 CarbonylContact C-O 3.58Å; H909-V923 VanDerWaalsContact CA-O 3.32Å; H909-V923 WeakPolarHBondContact CA-O 3.36Å; L910-V923 PolarHBondContact N-O 3.5Å; L910-V923 PolarHBondContact O-N 2.93Å; V923-Y943 CarbonylContact C-O 3.6Å; V923-Y943 VanDerWaalsContact CA-O 3.26Å; V923-Y943 WeakPolarHBondContact CA-O 3.41Å; V923-Y943 HydrophobicContact CG1-CD2 3.94Å; V923-Y943 HydrophobicContact CG2-CD2 4.16Å; V923-V944 HydrophobicContact CG2-CG2 3.92Å |
| 924 | D | 88.4 | Confident | 81.2 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110 | 165 | 176.6 | 5.1 | 0 | 0 | 0 | 109.3 | S908 N926 R927 A928 Y943 V945 | S908-D924 PolarHBondContact OG-OD1 2.84Å; D924-N926 PolarHBondContact O-N 3.46Å; D924-N926 WeakPolarHBondContact OD1-CB 3.42Å; D924-N926 PolarHBondContact OD1-N 3.32Å; D924-R927 HydrophobicContact CB-CB 4.34Å; D924-R927 HydrophobicContact CB-CG 4.29Å; D924-R927 PolarHBondContact O-N 3.33Å; D924-R927 WeakPolarHBondContact OD2-CD 3.36Å; D924-R927 VanDerWaalsContact OD2-CG 3.26Å; D924-R927 WeakPolarHBondContact OD2-CG 3.33Å; D924-R927 IonicContact OD2-NE 2.84Å; D924-R927 PolarHBondContact OD2-NE 2.97Å; D924-A928 PolarHBondContact O-N 2.91Å; D924-A928 VanDerWaalsContact O-N 3.12Å; D924-Y943 PolarHBondContact N-O 2.78Å; D924-V945 HydrophobicContact CB-CG2 3.79Å |
| 925 | C | 86.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -24.2 | -179.9 | -65 | 0 | 0 | 0 | 0 | 113.1 | I838 L850 S908 A928 Q929 | I838-C925 HydrophobicContact CD1-CB 4.12Å; L850-C925 HydrophobicContact CD1-CB 3.91Å; L850-C925 VanDerWaalsContact CD1-SG 3.58Å; S908-C925 WeakPolarHBondContact O-CB 3.37Å; S908-C925 PolarHBondContact O-N 3.03Å; S908-C925 PolarHBondContact O-SG 2.88Å; C925-A928 WeakPolarHBondContact O-CB 3.46Å; C925-A928 PolarHBondContact O-N 3Å; C925-Q929 WeakPolarHBondContact O-CG 3.29Å; C925-Q929 PolarHBondContact O-N 3.08Å |
| 926 | N | 82.3 | Confident | 77.7 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.2 | -46.3 | 178.2 | -65.2 | -14.1 | 0 | 0 | 0 | 110.1 | S908 D924 A928 Q929 T930 | S908-N926 WeakPolarHBondContact CB-ND2 3.39Å; S908-N926 VanDerWaalsContact CB-OD1 3.23Å; S908-N926 WeakPolarHBondContact CB-OD1 3.19Å; S908-N926 PolarHBondContact OG-ND2 2.6Å; D924-N926 PolarHBondContact O-N 3.46Å; D924-N926 WeakPolarHBondContact OD1-CB 3.42Å; D924-N926 PolarHBondContact OD1-N 3.32Å; N926-A928 VanDerWaalsContact C-N 3.26Å; N926-A928 PolarHBondContact O-N 3.01Å; N926-Q929 PolarHBondContact O-N 3.41Å; N926-T930 PolarHBondContact O-N 3.27Å; N926-T930 PolarHBondContact O-OG1 3.39Å |
| 927 | R | 82.1 | Confident | 76.1 | Confident | 114 Ų | 114 | 65 Ų | 65 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.1 | -40.2 | 170.3 | -70.8 | 174 | -156.6 | -141.8 | -2.6 | 111.7 | D924 Q929 T930 F931 N942 | D924-R927 HydrophobicContact CB-CB 4.34Å; D924-R927 HydrophobicContact CB-CG 4.29Å; D924-R927 PolarHBondContact O-N 3.33Å; D924-R927 WeakPolarHBondContact OD2-CD 3.36Å; D924-R927 VanDerWaalsContact OD2-CG 3.26Å; D924-R927 WeakPolarHBondContact OD2-CG 3.33Å; D924-R927 IonicContact OD2-NE 2.84Å; D924-R927 PolarHBondContact OD2-NE 2.97Å; R927-Q929 PolarHBondContact O-N 2.86Å; R927-T930 WeakPolarHBondContact CA-OG1 3.33Å; R927-T930 PolarHBondContact O-N 2.79Å; R927-T930 PolarHBondContact O-OG1 3.47Å; R927-F931 PolarHBondContact O-N 3.36Å; R927-N942 WeakPolarHBondContact CD-O 3.33Å |
| 928 | A | 80.8 | Confident | 73.9 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L850 L879 D924 C925 N926 T930 F931 Y943 | L850-A928 HydrophobicContact CD1-CB 4.36Å; L879-A928 HydrophobicContact CD2-CB 3.89Å; D924-A928 PolarHBondContact O-N 2.91Å; D924-A928 VanDerWaalsContact O-N 3.12Å; C925-A928 WeakPolarHBondContact O-CB 3.46Å; C925-A928 PolarHBondContact O-N 3Å; N926-A928 VanDerWaalsContact C-N 3.26Å; N926-A928 PolarHBondContact O-N 3.01Å; A928-T930 VanDerWaalsContact C-N 3.32Å; A928-F931 PolarHBondContact O-N 2.87Å; A928-Y943 HydrophobicContact CB-CD1 4.23Å; A928-Y943 HydrophobicContact CB-CD2 4.46Å; A928-Y943 HydrophobicContact CB-CG 3.94Å |
| 929 | Q | 74.3 | Confident | 72 | Confident | 90 Ų | 90 | 72.5 Ų | 72.5 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 172.7 | -72.9 | 174.5 | 3.5 | 0 | 0 | 112.2 | I877 C925 N926 R927 F931 | I877-Q929 HydrophobicContact CD1-CB 4.15Å; I877-Q929 HydrophobicContact CD1-CG 3.55Å; C925-Q929 WeakPolarHBondContact O-CG 3.29Å; C925-Q929 PolarHBondContact O-N 3.08Å; N926-Q929 PolarHBondContact O-N 3.41Å; R927-Q929 PolarHBondContact O-N 2.86Å; Q929-F931 VanDerWaalsContact C-N 3.35Å |
| 930 | T | 67.1 | Low | 70.2 | Confident | 118 Ų | 118 | 73 Ų | 73 | 72% | 0.724 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -1.3 | 178.8 | 58.2 | 0 | 0 | 0 | 0 | 115.1 | N926 R927 A928 D932 | N926-T930 PolarHBondContact O-N 3.27Å; N926-T930 PolarHBondContact O-OG1 3.39Å; R927-T930 WeakPolarHBondContact CA-OG1 3.33Å; R927-T930 PolarHBondContact O-N 2.79Å; R927-T930 PolarHBondContact O-OG1 3.47Å; A928-T930 VanDerWaalsContact C-N 3.32Å; T930-D932 PolarHBondContact O-N 2.94Å |
| 931 | F | 66 | Low | 68.9 | Low | 64 Ų | 64 | 74.6 Ų | 74.6 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | trans | -82.3 | 108.8 | -168.9 | -171.8 | -93.2 | 0 | 0 | 0 | 112.9 | R927 A928 Q929 L933 T935 P941 Y943 | R927-F931 PolarHBondContact O-N 3.36Å; A928-F931 PolarHBondContact O-N 2.87Å; Q929-F931 VanDerWaalsContact C-N 3.35Å; F931-L933 PolarHBondContact O-N 3.06Å; F931-T935 WeakPolarHBondContact CZ-OG1 3.49Å; F931-P941 HydrophobicContact CE2-CB 4.5Å; F931-P941 HydrophobicContact CZ-CB 4.46Å; F931-Y943 HydrophobicContact CB-CD1 4.01Å; F931-Y943 HydrophobicContact CB-CE1 4.43Å; F931-Y943 HydrophobicContact CD1-CD1 4.29Å; F931-Y943 AromaticContact CD1-CE1 3.96Å; F931-Y943 HydrophobicContact CD1-CE1 3.96Å; F931-Y943 AromaticContact CD2-CD1 3.91Å; F931-Y943 HydrophobicContact CD2-CD1 3.91Å; F931-Y943 HydrophobicContact CD2-CE1 4.28Å; F931-Y943 HydrophobicContact CE1-CE1 4.28Å; F931-Y943 HydrophobicContact CE2-CD1 4.49Å; F931-Y943 AromaticContact CG-CD1 3.79Å; F931-Y943 HydrophobicContact CG-CD1 3.79Å; F931-Y943 AromaticContact CG-CE1 3.95Å; F931-Y943 HydrophobicContact CG-CE1 3.95Å | ||
| 932 | D | 58.8 | Low | 67.8 | Low | 99 Ų | 99 | 78.7 Ų | 78.7 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | trans | -72.2 | 123.7 | 174.3 | -176.5 | 7.7 | 0 | 0 | 0 | 112.2 | T930 S934 T935 | T930-D932 PolarHBondContact O-N 2.94Å; D932-S934 PolarHBondContact O-N 2.85Å; D932-S934 WeakPolarHBondContact OD1-CB 3.31Å; D932-S934 PolarHBondContact OD1-N 2.89Å; D932-S934 PolarHBondContact OD1-OG 2.86Å; D932-S934 VanDerWaalsContact OD2-CB 3.29Å; D932-S934 WeakPolarHBondContact OD2-CB 3.34Å; D932-S934 PolarHBondContact OD2-OG 2.88Å; D932-T935 PolarHBondContact O-N 2.8Å; D932-T935 PolarHBondContact O-OG1 2.96Å | ||
| 933 | L | 59.3 | Low | 67.4 | Low | 153 Ų | 153 | 78.9 Ų | 78.9 | 80% | 0.801 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7.6 | 176.6 | -74.8 | 81.7 | 0 | 0 | 0 | 113.6 | F931 T935 | F931-L933 PolarHBondContact O-N 3.06Å; L933-T935 PolarHBondContact O-N 3.08Å |
| 934 | S | 55 | Low | 67.2 | Low | 89 Ų | 89 | 80.5 Ų | 80.5 | 62% | 0.622 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.5 | 171.5 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | D932 | D932-S934 PolarHBondContact O-N 2.85Å; D932-S934 WeakPolarHBondContact OD1-CB 3.31Å; D932-S934 PolarHBondContact OD1-N 2.89Å; D932-S934 PolarHBondContact OD1-OG 2.86Å; D932-S934 VanDerWaalsContact OD2-CB 3.29Å; D932-S934 WeakPolarHBondContact OD2-CB 3.34Å; D932-S934 PolarHBondContact OD2-OG 2.88Å |
| 935 | T | 55.2 | Low | 67 | Low | 61 Ų | 61 | 83 Ų | 83 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -68 | 142.4 | -174.3 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | F931 D932 L933 | F931-T935 WeakPolarHBondContact CZ-OG1 3.49Å; D932-T935 PolarHBondContact O-N 2.8Å; D932-T935 PolarHBondContact O-OG1 2.96Å; L933-T935 PolarHBondContact O-N 3.08Å |
| 936 | P | 49 | Very low | 67.1 | Low | 89 Ų | 89 | 86.1 Ų | 86.1 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | trans | -71.4 | 132.6 | -173.5 | 27.8 | -34.6 | 0 | 0 | 0 | 112.5 | S938 T939 | P936-S938 PolarHBondContact O-N 3.22Å; P936-T939 PolarHBondContact O-OG1 2.93Å | ||
| 937 | K | 53 | Low | 67.4 | Low | 213 Ų | 213 | 85 Ų | 85 | 93% | 0.926 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 1.2 | -175.6 | -59.1 | 174.5 | -177.7 | 168.9 | 0 | 116.4 | ||
| 938 | S | 41.6 | Very low | 67.8 | Low | 106 Ų | 106 | 80 Ų | 80 | 74% | 0.741 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -16.6 | -176.5 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | P936 | P936-S938 PolarHBondContact O-N 3.22Š|
| 939 | T | 49.6 | Very low | 68.2 | Low | 95 Ų | 95 | 83.4 Ų | 83.4 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -98.7 | 145.3 | 171.7 | 30.8 | 0 | 0 | 0 | 0 | 110.8 | P936 | P936-T939 PolarHBondContact O-OG1 2.93Š|
| 940 | P | 55.5 | Low | 68.8 | Low | 111 Ų | 111 | 80.7 Ų | 80.7 | 72% | 0.721 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 143.1 | 172.3 | 27.7 | -34.2 | 0 | 0 | 0 | 110 | N942 | P940-N942 PolarHBondContact O-N 3.49Š|
| 941 | P | 65.7 | Low | 70.1 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 21% | 0.214 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 124.3 | -178 | 24.3 | -32.5 | 0 | 0 | 0 | 111.4 | F931 Y943 V944 | F931-P941 HydrophobicContact CE2-CB 4.5Å; F931-P941 HydrophobicContact CZ-CB 4.46Å; P941-Y943 HydrophobicContact CB-CD1 3.84Å; P941-Y943 HydrophobicContact CB-CD2 4.26Å; P941-Y943 HydrophobicContact CB-CE1 3.45Å; P941-Y943 VanDerWaalsContact CB-CE1 3.45Å; P941-Y943 HydrophobicContact CB-CE2 3.89Å; P941-Y943 HydrophobicContact CB-CG 4.23Å; P941-Y943 VanDerWaalsContact CB-CZ 3.47Å; P941-Y943 HydrophobicContact CG-CE1 4.38Å; P941-Y943 HydrophobicContact CG-CE2 4.01Å; P941-Y943 PolarHBondContact O-N 3.36Å; P941-V944 HydrophobicContact CG-CB 4.46Å; P941-V944 HydrophobicContact CG-CG2 3.86Å; P941-V944 PolarHBondContact O-N 3.3Å |
| 942 | N | 71.7 | Confident | 71.4 | Confident | 114 Ų | 114 | 78.3 Ų | 78.3 | 61% | 0.61 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -7.9 | -177.5 | -168.7 | 17.7 | 0 | 0 | 0 | 114.6 | R927 P940 | R927-N942 WeakPolarHBondContact CD-O 3.33Å; P940-N942 PolarHBondContact O-N 3.49Å |
| 943 | Y | 83.3 | Confident | 73.1 | Confident | 16 Ų | 16 | 75 Ų | 75 | 6% | 0.063 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -18.1 | 171.2 | 60.1 | -110 | 0 | 0 | 0 | 113.8 | L879 Y881 V923 D924 A928 F931 P941 V945 | L879-Y943 HydrophobicContact CB-CE2 4.2Å; L879-Y943 HydrophobicContact CD1-CE2 4.49Å; L879-Y943 HydrophobicContact CD2-CD2 4.36Å; L879-Y943 HydrophobicContact CD2-CE1 4.24Å; L879-Y943 HydrophobicContact CD2-CE2 3.9Å; L879-Y943 HydrophobicContact CG-CE2 4.42Å; Y881-Y943 AromaticContact CD1-CE2 3.83Å; Y881-Y943 HydrophobicContact CD1-CE2 3.83Å; Y881-Y943 HydrophobicContact CE1-CE2 4.01Å; V923-Y943 CarbonylContact C-O 3.6Å; V923-Y943 VanDerWaalsContact CA-O 3.26Å; V923-Y943 WeakPolarHBondContact CA-O 3.41Å; V923-Y943 HydrophobicContact CG1-CD2 3.94Å; V923-Y943 HydrophobicContact CG2-CD2 4.16Å; D924-Y943 PolarHBondContact N-O 2.78Å; A928-Y943 HydrophobicContact CB-CD1 4.23Å; A928-Y943 HydrophobicContact CB-CD2 4.46Å; A928-Y943 HydrophobicContact CB-CG 3.94Å; F931-Y943 HydrophobicContact CB-CD1 4.01Å; F931-Y943 HydrophobicContact CB-CE1 4.43Å; F931-Y943 HydrophobicContact CD1-CD1 4.29Å; F931-Y943 AromaticContact CD1-CE1 3.96Å; F931-Y943 HydrophobicContact CD1-CE1 3.96Å; F931-Y943 AromaticContact CD2-CD1 3.91Å; F931-Y943 HydrophobicContact CD2-CD1 3.91Å; F931-Y943 HydrophobicContact CD2-CE1 4.28Å; F931-Y943 HydrophobicContact CE1-CE1 4.28Å; F931-Y943 HydrophobicContact CE2-CD1 4.49Å; F931-Y943 AromaticContact CG-CD1 3.79Å; F931-Y943 HydrophobicContact CG-CD1 3.79Å; F931-Y943 AromaticContact CG-CE1 3.95Å; F931-Y943 HydrophobicContact CG-CE1 3.95Å; P941-Y943 HydrophobicContact CB-CD1 3.84Å; P941-Y943 HydrophobicContact CB-CD2 4.26Å; P941-Y943 HydrophobicContact CB-CE1 3.45Å; P941-Y943 VanDerWaalsContact CB-CE1 3.45Å; P941-Y943 HydrophobicContact CB-CE2 3.89Å; P941-Y943 HydrophobicContact CB-CG 4.23Å; P941-Y943 VanDerWaalsContact CB-CZ 3.47Å; P941-Y943 HydrophobicContact CG-CE1 4.38Å; P941-Y943 HydrophobicContact CG-CE2 4.01Å; P941-Y943 PolarHBondContact O-N 3.36Å; Y943-V945 PolarHBondContact O-N 3.4Å |
| 944 | V | 85.8 | Confident | 74.8 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 105.6 | 170.8 | 173.7 | 0 | 0 | 0 | 0 | 108.1 | Y881 Y921 V923 P941 | Y881-V944 HydrophobicContact CD1-CG2 3.9Å; Y881-V944 HydrophobicContact CE1-CG2 4.34Å; Y881-V944 HydrophobicContact CG-CG2 4.02Å; Y921-V944 HydrophobicContact CD1-CG1 3.86Å; V923-V944 HydrophobicContact CG2-CG2 3.92Å; P941-V944 HydrophobicContact CG-CB 4.46Å; P941-V944 HydrophobicContact CG-CG2 3.86Å; P941-V944 PolarHBondContact O-N 3.3Å |
| 945 | V | 85.4 | Confident | 76.8 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -38.1 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | L922 D924 Y943 | L922-V945 HydrophobicContact CD2-CB 4.07Å; L922-V945 HydrophobicContact CD2-CG1 3.98Å; L922-V945 HydrophobicContact CG-CB 4.13Å; L922-V945 PolarHBondContact O-N 3.12Å; D924-V945 HydrophobicContact CB-CG2 3.79Å; Y943-V945 PolarHBondContact O-N 3.4Å |
| 946 | R | 88 | Confident | 78.8 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 25% | 0.253 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 146 | -178.5 | -157.3 | 169.5 | 173.7 | -178.1 | -11.4 | 112.9 | Y921 L922 M948 L981 A983 P984 | Y921-R946 WeakPolarHBondContact CA-O 3.47Å; L922-R946 HydrophobicContact CB-CB 3.97Å; L922-R946 HydrophobicContact CD2-CB 4.4Å; L922-R946 PolarHBondContact N-O 2.96Å; L922-R946 PolarHBondContact O-N 3Å; R946-M948 HydrophobicContact CG-CG 4.06Å; R946-L981 PolarHBondContact NH1-O 3.06Å; R946-A983 VanDerWaalsContact CZ-O 3.25Å; R946-A983 PolarHBondContact NH1-O 2.5Å; R946-A983 PolarHBondContact NH2-O 3.11Å; R946-P984 VanDerWaalsContact NH2-C 3.32Å; R946-P984 PolarHBondContact NH2-O 2.87Å |
| 947 | S | 89.1 | Confident | 81 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 108.8 | 168.1 | 154.3 | 0 | 0 | 0 | 0 | 108 | R919 | R919-S947 PolarHBondContact NH1-OG 3.44Å |
| 948 | M | 90.5 | Very high | 83 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.3 | -179.7 | -64.8 | 168.2 | -72.4 | 0 | 0 | 109.8 | L911 I920 L922 R946 F967 W979 L981 | L911-M948 HydrophobicContact CD2-CE 3.97Å; I920-M948 HydrophobicContact CB-CB 4.43Å; I920-M948 HydrophobicContact CB-CE 4.22Å; I920-M948 HydrophobicContact CG2-CE 3.92Å; I920-M948 PolarHBondContact N-O 3.36Å; I920-M948 WeakPolarHBondContact O-CB 3.47Å; I920-M948 PolarHBondContact O-N 2.86Å; L922-M948 HydrophobicContact CB-CE 4.41Å; R946-M948 HydrophobicContact CG-CG 4.06Å; M948-F967 HydrophobicContact CE-CE1 3.94Å; M948-F967 HydrophobicContact CE-CZ 3.59Å; M948-F967 HydrophobicContact SD-CE1 4.03Å; M948-F967 HydrophobicContact SD-CZ 3.83Å; M948-W979 HydrophobicContact CB-CE3 4.15Å; M948-W979 HydrophobicContact CB-CH2 4.33Å; M948-W979 HydrophobicContact CB-CZ3 3.84Å; M948-W979 HydrophobicContact CG-CE3 4.45Å; M948-W979 HydrophobicContact CG-CZ3 4.5Å; M948-W979 HydrophobicContact SD-CE3 4.24Å; M948-L981 HydrophobicContact CE-CD2 4.05Å; M948-L981 HydrophobicContact SD-CD2 3.68Å |
| 949 | S | 89.2 | Confident | 85.5 | Confident | 76 Ų | 76 | 44.9 Ų | 44.9 | 53% | 0.531 | 27% | 0.274 | S | S | . | . | trans | -108.4 | 147.4 | 176.6 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 950 | G | 86.3 | Confident | 87.4 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | trans | 164.7 | -35.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | R977 | G950-R977 PolarHBondContact O-NH1 3.02Å; G950-R977 PolarHBondContact O-NH2 3.25Å | ||
| 951 | H | 94.2 | Very high | 88.6 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | trans | -65.9 | 141.9 | 168.5 | -78.7 | -65.5 | 0 | 0 | 0 | 110.9 | V955 S969 S971 D973 T975 R977 | H951-V955 HydrophobicContact CB-CG2 3.69Å; H951-V955 VanDerWaalsContact CD2-CG2 3.47Å; H951-V955 WeakPolarHBondContact CD2-CG2 3.47Å; H951-S969 PolarHBondContact NE2-OG 3.44Å; H951-S971 WeakPolarHBondContact CE1-CB 3.37Å; H951-S971 WeakPolarHBondContact ND1-CB 3.41Å; H951-D973 VanDerWaalsContact CA-OD2 3.25Å; H951-D973 WeakPolarHBondContact CA-OD2 3.42Å; H951-D973 IonicContact CE1-OD1 3.72Å; H951-D973 IonicContact CE1-OD2 3.24Å; H951-D973 IonicContact CG-OD2 3.66Å; H951-D973 VanDerWaalsContact ND1-CG 3.33Å; H951-D973 IonicContact ND1-OD1 3.62Å; H951-D973 PolarHBondContact ND1-OD1 2.72Å; H951-D973 VanDerWaalsContact ND1-OD1 3.16Å; H951-D973 IonicContact ND1-OD2 3.48Å; H951-D973 PolarHBondContact ND1-OD2 3.35Å; H951-T975 PolarHBondContact CE1-OG1 3.35Å; H951-T975 VanDerWaalsContact CE1-OG1 3.27Å; H951-T975 PolarHBondContact ND1-OG1 2.74Å; H951-R977 PolarHBondContact CE1-NE 2.83Å; H951-R977 PolarHBondContact ND1-NE 3.19Å | ||
| 952 | T | 93.5 | Very high | 88.7 | Confident | 120 Ų | 120 | 38 Ų | 38 | 74% | 0.736 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -101.8 | -2.7 | -178 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | D973 | T952-D973 PolarHBondContact N-OD2 2.86Å; T952-D973 VanDerWaalsContact N-OD2 3.13Å; T952-D973 VanDerWaalsContact OG1-CB 3.24Å; T952-D973 WeakPolarHBondContact OG1-CB 3.38Å |
| 953 | A | 94.5 | Very high | 88.3 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 24% | 0.24 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -148.1 | 176 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S918 V955 S971 A972 D973 | S918-A953 WeakPolarHBondContact CB-O 3.4Å; S918-A953 WeakPolarHBondContact OG-CA 3.26Å; S918-A953 PolarHBondContact OG-O 3.24Å; A953-V955 PolarHBondContact O-N 2.82Å; A953-S971 PolarHBondContact O-OG 2.94Å; A953-A972 HydrophobicContact CB-CB 3.84Å; A953-D973 HydrophobicContact CB-CB 4.09Å |
| 954 | A | 95.3 | Very high | 87.3 | Confident | 14 Ų | 14 | 35 Ų | 35 | 12% | 0.116 | 22% | 0.216 | C | C | . | . | trans | -52.7 | 123.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | A915 Y956 S971 A972 | A915-A954 HydrophobicContact CB-CB 3.87Å; A954-Y956 HydrophobicContact CB-CD1 4Å; A954-Y956 HydrophobicContact CB-CE1 3.46Å; A954-Y956 VanDerWaalsContact CB-CE1 3.46Å; A954-Y956 WeakPolarHBondContact O-CD1 3.36Å; A954-Y956 PolarHBondContact O-N 3.23Å; A954-S971 PolarHBondContact O-OG 2.98Å; A954-A972 HydrophobicContact CB-CB 4.44Å; A954-A972 PolarHBondContact O-N 3.48Å | ||
| 955 | V | 96.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 108.4 | -177.7 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | R887 S913 G914 I920 H951 A953 G970 | R887-V955 WeakPolarHBondContact CB-O 3.43Å; S913-V955 PolarHBondContact OG-O 2.9Å; G914-V955 PolarHBondContact O-N 3.32Å; G914-V955 VanDerWaalsContact O-N 3.11Å; I920-V955 HydrophobicContact CD1-CG1 4.17Å; I920-V955 HydrophobicContact CG1-CG1 4.21Å; I920-V955 HydrophobicContact CG1-CG2 4.43Å; H951-V955 HydrophobicContact CB-CG2 3.69Å; H951-V955 VanDerWaalsContact CD2-CG2 3.47Å; H951-V955 WeakPolarHBondContact CD2-CG2 3.47Å; A953-V955 PolarHBondContact O-N 2.82Å; V955-G970 CarbonylContact C-O 3.59Å |
| 956 | Y | 95.9 | Very high | 87 | Confident | 49 Ų | 49 | 33.6 Ų | 33.6 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -22.8 | -166.5 | -72.1 | -13.4 | 0 | 0 | 0 | 115.7 | R887 A954 G970 A972 E1018 | R887-Y956 HydrophobicContact CG-CD1 4.31Å; R887-Y956 VanDerWaalsContact NH2-CD1 3.34Å; A954-Y956 HydrophobicContact CB-CD1 4Å; A954-Y956 HydrophobicContact CB-CE1 3.46Å; A954-Y956 VanDerWaalsContact CB-CE1 3.46Å; A954-Y956 WeakPolarHBondContact O-CD1 3.36Å; A954-Y956 PolarHBondContact O-N 3.23Å; Y956-G970 PolarHBondContact N-O 2.91Å; Y956-A972 HydrophobicContact CE1-CB 4.39Å; Y956-A972 HydrophobicContact CE2-CB 3.89Å; Y956-E1018 WeakPolarHBondContact CE2-OE1 3.47Å |
| 957 | S | 95.9 | Very high | 87.2 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 149.4 | -179.4 | -169.2 | 0 | 0 | 0 | 0 | 113 | D888 S969 G970 V1004 | D888-S957 VanDerWaalsContact OD2-CA 3.28Å; D888-S957 WeakPolarHBondContact OD2-CA 3.29Å; D888-S957 PolarHBondContact OD2-OG 2.91Å; D888-S957 VanDerWaalsContact OD2-OG 3.11Å; S957-S969 WeakPolarHBondContact O-CA 3.47Å; S957-G970 PolarHBondContact N-O 2.83Å; S957-G970 PolarHBondContact O-N 3.32Å; S957-V1004 PolarHBondContact OG-N 2.84Å |
| 958 | L | 95.7 | Very high | 87.4 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143 | 173 | -63.6 | 174.3 | 0 | 0 | 0 | 110.2 | D888 A890 L911 I920 F967 | D888-L958 HydrophobicContact CB-CG 4.39Å; D888-L958 PolarHBondContact OD2-N 3.1Å; A890-L958 HydrophobicContact CB-CB 4.3Å; L911-L958 HydrophobicContact CB-CD1 3.92Å; I920-L958 HydrophobicContact CD1-CD2 4.08Å; I920-L958 HydrophobicContact CG2-CD2 4.14Å; L958-F967 HydrophobicContact CD2-CD2 4.31Å; L958-F967 HydrophobicContact CD2-CE2 4.26Å |
| 959 | S | 93.6 | Very high | 87.7 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 123.7 | 166 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | F967 V968 V1006 | S959-F967 CarbonylContact O-C 3.55Å; S959-F967 WeakPolarHBondContact O-CA 3.37Å; S959-F967 WeakPolarHBondContact O-CB 3.46Å; S959-V968 PolarHBondContact N-O 2.77Å; S959-V968 PolarHBondContact O-N 3.47Å; S959-V1006 PolarHBondContact OG-N 3.26Å |
| 960 | V | 88.8 | Confident | 88.1 | Confident | 27 Ų | 27 | 24.2 Ų | 24.2 | 16% | 0.164 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 142.3 | 162.3 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | A890 F891 L892 L893 S962 | A890-V960 HydrophobicContact CB-CG2 4.28Å; F891-V960 WeakPolarHBondContact O-CG2 3.38Å; L892-V960 HydrophobicContact CD2-CG2 4.3Å; L893-V960 HydrophobicContact CD1-CG1 4.28Å; L893-V960 HydrophobicContact CG-CG1 4.26Å; V960-S962 VanDerWaalsContact CG1-O 3.31Å; V960-S962 WeakPolarHBondContact CG1-O 3.49Å |
| 961 | W | 80.6 | Confident | 88.6 | Confident | 51 Ų | 51 | 22.7 Ų | 22.7 | 19% | 0.193 | 14% | 0.139 | C | C | . | . | trans | -91.1 | -61.2 | 177.4 | -177.1 | 14 | 0 | 0 | 0 | 109.8 | L966 L978 V1006 C1010 L1027 | W961-L966 HydrophobicContact CB-CB 4.06Å; W961-L966 WeakPolarHBondContact CB-O 3.44Å; W961-L966 HydrophobicContact CD2-CB 4.43Å; W961-L966 HydrophobicContact CE3-CB 3.8Å; W961-L966 HydrophobicContact CE3-CD1 3.74Å; W961-L966 HydrophobicContact CE3-CD2 3.88Å; W961-L966 HydrophobicContact CE3-CG 4.01Å; W961-L966 HydrophobicContact CZ3-CD1 3.85Å; W961-L966 HydrophobicContact CZ3-CD2 4Å; W961-L966 HydrophobicContact CZ3-CG 4.38Å; W961-L966 PolarHBondContact N-O 3Å; W961-L978 HydrophobicContact CD2-CD1 4.22Å; W961-L978 HydrophobicContact CE3-CD1 3.52Å; W961-L978 HydrophobicContact CE3-CD2 4.18Å; W961-L978 HydrophobicContact CE3-CG 4.44Å; W961-L978 HydrophobicContact CZ3-CD1 4.05Å; W961-L978 HydrophobicContact CZ3-CD2 3.82Å; W961-V1006 HydrophobicContact CG-CG1 4.28Å; W961-C1010 VanDerWaalsContact CE2-O 3.27Å; W961-C1010 VanDerWaalsContact CZ2-O 3.24Å; W961-C1010 WeakPolarHBondContact CZ2-O 3.39Å; W961-C1010 VanDerWaalsContact NE1-CA 3.28Å; W961-C1010 VanDerWaalsContact NE1-CB 3.34Å; W961-C1010 PolarHBondContact NE1-O 2.93Å; W961-C1010 PolarHBondContact O-SG 3.44Å; W961-L1027 HydrophobicContact CD2-CD1 4.26Å; W961-L1027 HydrophobicContact CG-CD1 4.48Å; W961-L1027 HydrophobicContact CZ2-CB 4.14Å; W961-L1027 HydrophobicContact CZ2-CD1 4.18Å | ||
| 962 | S | 68 | Low | 88.6 | Confident | 16 Ų | 16 | 23.7 Ų | 23.7 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -134.4 | 170.5 | -176 | 73.4 | 0 | 0 | 0 | 0 | 111.5 | V960 G964 | V960-S962 VanDerWaalsContact CG1-O 3.31Å; V960-S962 WeakPolarHBondContact CG1-O 3.49Å; S962-G964 PolarHBondContact O-N 3.21Å |
| 963 | P | 64.1 | Low | 88.7 | Confident | 42 Ų | 42 | 19.2 Ų | 19.2 | 27% | 0.273 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -49.9 | 136.8 | 159.8 | -28 | 38.9 | 0 | 0 | 0 | 111.7 | G894 Y896 | G894-P963 WeakPolarHBondContact O-CB 3.21Å; Y896-P963 HydrophobicContact CD1-CB 4.09Å; Y896-P963 HydrophobicContact CD1-CG 4.15Å; Y896-P963 HydrophobicContact CE1-CB 3.67Å; Y896-P963 HydrophobicContact CE1-CG 3.64Å; Y896-P963 HydrophobicContact CE2-CB 4.47Å |
| 964 | G | 63.1 | Low | 88.7 | Confident | 24 Ų | 24 | 18.8 Ų | 18.8 | 25% | 0.247 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 92.2 | -130.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L893 S962 | L893-G964 PolarHBondContact O-N 3.19Å; S962-G964 PolarHBondContact O-N 3.21Å |
| 965 | S | 77.2 | Confident | 88.7 | Confident | 45 Ų | 45 | 19.2 Ų | 19.2 | 32% | 0.315 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -94.1 | 8.9 | -155.3 | -65.1 | 0 | 0 | 0 | 0 | 116.5 | L981 | S965-L981 WeakPolarHBondContact O-CG 3.3Å; S965-L981 PolarHBondContact O-N 2.94Å |
| 966 | L | 87.2 | Confident | 88.7 | Confident | 30 Ų | 30 | 19.2 Ų | 19.2 | 16% | 0.157 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.8 | -161.1 | -75.3 | 169 | 0 | 0 | 0 | 113 | W961 D980 | W961-L966 HydrophobicContact CB-CB 4.06Å; W961-L966 WeakPolarHBondContact CB-O 3.44Å; W961-L966 HydrophobicContact CD2-CB 4.43Å; W961-L966 HydrophobicContact CE3-CB 3.8Å; W961-L966 HydrophobicContact CE3-CD1 3.74Å; W961-L966 HydrophobicContact CE3-CD2 3.88Å; W961-L966 HydrophobicContact CE3-CG 4.01Å; W961-L966 HydrophobicContact CZ3-CD1 3.85Å; W961-L966 HydrophobicContact CZ3-CD2 4Å; W961-L966 HydrophobicContact CZ3-CG 4.38Å; W961-L966 PolarHBondContact N-O 3Å; L966-D980 HydrophobicContact CD2-CB 3.69Å |
| 967 | F | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157 | 178.1 | 74 | -87.1 | 0 | 0 | 0 | 113.2 | L911 I920 M948 L958 S959 W979 L981 | L911-F967 HydrophobicContact CD1-CB 3.87Å; L911-F967 HydrophobicContact CD1-CD1 3.61Å; L911-F967 HydrophobicContact CD1-CD2 3.8Å; L911-F967 HydrophobicContact CD1-CE1 4.05Å; L911-F967 HydrophobicContact CD1-CE2 4.24Å; L911-F967 HydrophobicContact CD1-CG 3.47Å; L911-F967 VanDerWaalsContact CD1-CG 3.47Å; L911-F967 HydrophobicContact CD1-CZ 4.35Å; L911-F967 HydrophobicContact CD2-CD1 4.23Å; L911-F967 HydrophobicContact CD2-CE1 3.86Å; L911-F967 HydrophobicContact CD2-CZ 4.05Å; I920-F967 HydrophobicContact CD1-CE2 3.98Å; I920-F967 HydrophobicContact CG2-CE2 4.01Å; I920-F967 HydrophobicContact CG2-CZ 4.1Å; M948-F967 HydrophobicContact CE-CE1 3.94Å; M948-F967 HydrophobicContact CE-CZ 3.59Å; M948-F967 HydrophobicContact SD-CE1 4.03Å; M948-F967 HydrophobicContact SD-CZ 3.83Å; L958-F967 HydrophobicContact CD2-CD2 4.31Å; L958-F967 HydrophobicContact CD2-CE2 4.26Å; S959-F967 CarbonylContact O-C 3.55Å; S959-F967 WeakPolarHBondContact O-CA 3.37Å; S959-F967 WeakPolarHBondContact O-CB 3.46Å; F967-W979 HydrophobicContact CD1-CB 3.95Å; F967-W979 HydrophobicContact CD2-CB 4.32Å; F967-W979 AromaticContact CD2-CD1 3.94Å; F967-W979 HydrophobicContact CD2-CG 4.39Å; F967-W979 HydrophobicContact CE1-CB 3.45Å; F967-W979 VanDerWaalsContact CE1-CB 3.45Å; F967-W979 HydrophobicContact CE1-CG 4.09Å; F967-W979 HydrophobicContact CE2-CB 3.85Å; F967-W979 AromaticContact CE2-CD1 3.35Å; F967-W979 AromaticContact CE2-CG 3.65Å; F967-W979 HydrophobicContact CE2-CG 3.65Å; F967-W979 HydrophobicContact CG-CB 4.36Å; F967-W979 HydrophobicContact CZ-CB 3.39Å; F967-W979 AromaticContact CZ-CD1 3.7Å; F967-W979 HydrophobicContact CZ-CD2 4.2Å; F967-W979 AromaticContact CZ-CG 3.48Å; F967-W979 HydrophobicContact CZ-CG 3.48Å; F967-W979 VanDerWaalsContact CZ-CG 3.48Å; F967-W979 PolarHBondContact N-O 2.81Å; F967-W979 VanDerWaalsContact N-O 3.1Å; F967-W979 PolarHBondContact O-N 2.93Å; F967-L981 HydrophobicContact CE1-CD2 3.92Å; F967-L981 HydrophobicContact CE1-CG 4.38Å |
| 968 | V | 94.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.4 | 175.9 | -179 | 0 | 0 | 0 | 0 | 110.2 | S959 A976 R977 L978 V1004 V1006 L1013 | S959-V968 PolarHBondContact N-O 2.77Å; S959-V968 PolarHBondContact O-N 3.47Å; V968-A976 HydrophobicContact CG1-CB 4.36Å; V968-R977 CarbonylContact C-O 3.48Å; V968-R977 VanDerWaalsContact CA-O 3.3Å; V968-R977 WeakPolarHBondContact CA-O 3.35Å; V968-L978 HydrophobicContact CG2-CD1 3.71Å; V968-V1004 HydrophobicContact CG1-CB 4.45Å; V968-V1004 HydrophobicContact CG1-CG2 4.37Å; V968-V1006 HydrophobicContact CB-CG2 4.26Å; V968-V1006 HydrophobicContact CG2-CG2 3.79Å; V968-L1013 HydrophobicContact CG1-CD1 4.03Å; V968-L1013 HydrophobicContact CG1-CD2 4.35Å |
| 969 | S | 96.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 150.8 | 168.9 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | I920 H951 S957 A976 R977 W979 | I920-S969 VanDerWaalsContact CD1-CB 3.42Å; I920-S969 WeakPolarHBondContact CD1-OG 3.34Å; H951-S969 PolarHBondContact NE2-OG 3.44Å; S957-S969 WeakPolarHBondContact O-CA 3.47Å; S969-A976 CarbonylContact O-C 3.55Å; S969-A976 WeakPolarHBondContact O-CA 3.4Å; S969-A976 WeakPolarHBondContact O-CB 3.48Å; S969-R977 PolarHBondContact N-O 3.37Å; S969-R977 PolarHBondContact O-N 3.25Å; S969-W979 PolarHBondContact OG-NE1 2.97Å |
| 970 | G | 96.4 | Very high | 88 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V955 Y956 S957 | V955-G970 CarbonylContact C-O 3.59Å; Y956-G970 PolarHBondContact N-O 2.91Å; S957-G970 PolarHBondContact N-O 2.83Å; S957-G970 PolarHBondContact O-N 3.32Å |
| 971 | S | 97 | Very high | 87.9 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 161.7 | -173.1 | 178.7 | 0 | 0 | 0 | 0 | 114.4 | H951 A953 A954 D973 T975 F1001 | H951-S971 WeakPolarHBondContact CE1-CB 3.37Å; H951-S971 WeakPolarHBondContact ND1-CB 3.41Å; A953-S971 PolarHBondContact O-OG 2.94Å; A954-S971 PolarHBondContact O-OG 2.98Å; S971-D973 VanDerWaalsContact CB-OD1 3.3Å; S971-D973 WeakPolarHBondContact CB-OD1 3.1Å; S971-D973 PolarHBondContact O-N 3.1Å; S971-D973 PolarHBondContact OG-N 2.95Å; S971-D973 PolarHBondContact OG-OD1 3.38Å; S971-T975 PolarHBondContact N-O 3.04Å; S971-T975 VanDerWaalsContact N-O 3.11Å; S971-F1001 PolarHBondContact O-N 3.03Å |
| 972 | A | 95.8 | Very high | 87.9 | Confident | 32 Ų | 32 | 25.9 Ų | 25.9 | 26% | 0.264 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -14 | 167 | 0 | 0 | 0 | 0 | 0 | 114 | A953 A954 Y956 A974 | A953-A972 HydrophobicContact CB-CB 3.84Å; A954-A972 HydrophobicContact CB-CB 4.44Å; A954-A972 PolarHBondContact O-N 3.48Å; Y956-A972 HydrophobicContact CE1-CB 4.39Å; Y956-A972 HydrophobicContact CE2-CB 3.89Å; A972-A974 PolarHBondContact O-N 3.21Å; A972-A974 VanDerWaalsContact O-N 3.11Å |
| 973 | D | 94.5 | Very high | 88.7 | Confident | 26 Ų | 26 | 25.8 Ų | 25.8 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 15.8 | 176.2 | 72.5 | 2 | 0 | 0 | 0 | 114.4 | H951 T952 A953 S971 T975 R977 | H951-D973 VanDerWaalsContact CA-OD2 3.25Å; H951-D973 WeakPolarHBondContact CA-OD2 3.42Å; H951-D973 IonicContact CE1-OD1 3.72Å; H951-D973 IonicContact CE1-OD2 3.24Å; H951-D973 IonicContact CG-OD2 3.66Å; H951-D973 VanDerWaalsContact ND1-CG 3.33Å; H951-D973 IonicContact ND1-OD1 3.62Å; H951-D973 PolarHBondContact ND1-OD1 2.72Å; H951-D973 VanDerWaalsContact ND1-OD1 3.16Å; H951-D973 IonicContact ND1-OD2 3.48Å; H951-D973 PolarHBondContact ND1-OD2 3.35Å; T952-D973 PolarHBondContact N-OD2 2.86Å; T952-D973 VanDerWaalsContact N-OD2 3.13Å; T952-D973 VanDerWaalsContact OG1-CB 3.24Å; T952-D973 WeakPolarHBondContact OG1-CB 3.38Å; A953-D973 HydrophobicContact CB-CB 4.09Å; S971-D973 VanDerWaalsContact CB-OD1 3.3Å; S971-D973 WeakPolarHBondContact CB-OD1 3.1Å; S971-D973 PolarHBondContact O-N 3.1Å; S971-D973 PolarHBondContact OG-N 2.95Å; S971-D973 PolarHBondContact OG-OD1 3.38Å; D973-T975 VanDerWaalsContact CG-OG1 3.31Å; D973-T975 PolarHBondContact O-N 3.14Å; D973-T975 WeakPolarHBondContact OD1-CB 3.49Å; D973-T975 PolarHBondContact OD1-N 3.06Å; D973-T975 PolarHBondContact OD1-OG1 3.46Å; D973-T975 PolarHBondContact OD2-OG1 2.98Å; D973-R977 IonicContact OD2-CZ 3.3Å; D973-R977 IonicContact OD2-NE 3.2Å; D973-R977 IonicContact OD2-NH2 3.24Å; D973-R977 PolarHBondContact OD2-NH2 2.84Å |
| 974 | A | 95.1 | Very high | 89.6 | Confident | 21 Ų | 21 | 27.7 Ų | 27.7 | 17% | 0.174 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 54.2 | 27.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A972 S992 F1001 | A972-A974 PolarHBondContact O-N 3.21Å; A972-A974 VanDerWaalsContact O-N 3.11Å; A974-S992 PolarHBondContact O-N 3.09Å; A974-F1001 WeakPolarHBondContact O-CE2 3.34Å |
| 975 | T | 95.4 | Very high | 90.8 | Very high | 22 Ų | 22 | 29 Ų | 29 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.8 | 166.9 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | H951 S971 D973 R977 I989 V990 F1001 | H951-T975 PolarHBondContact CE1-OG1 3.35Å; H951-T975 VanDerWaalsContact CE1-OG1 3.27Å; H951-T975 PolarHBondContact ND1-OG1 2.74Å; S971-T975 PolarHBondContact N-O 3.04Å; S971-T975 VanDerWaalsContact N-O 3.11Å; D973-T975 VanDerWaalsContact CG-OG1 3.31Å; D973-T975 PolarHBondContact O-N 3.14Å; D973-T975 WeakPolarHBondContact OD1-CB 3.49Å; D973-T975 PolarHBondContact OD1-N 3.06Å; D973-T975 PolarHBondContact OD1-OG1 3.46Å; D973-T975 PolarHBondContact OD2-OG1 2.98Å; T975-R977 PolarHBondContact OG1-NE 2.96Å; T975-I989 HydrophobicContact CG2-CG2 3.84Å; T975-V990 WeakPolarHBondContact CA-O 3.31Å; T975-F1001 VanDerWaalsContact C-CE2 3.44Å |
| 976 | A | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 151.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V968 S969 V990 F1001 V1004 | V968-A976 HydrophobicContact CG1-CB 4.36Å; S969-A976 CarbonylContact O-C 3.55Å; S969-A976 WeakPolarHBondContact O-CA 3.4Å; S969-A976 WeakPolarHBondContact O-CB 3.48Å; A976-V990 HydrophobicContact CB-CB 4.29Å; A976-V990 PolarHBondContact N-O 2.73Å; A976-V990 PolarHBondContact O-N 2.75Å; A976-F1001 HydrophobicContact CB-CD1 3.57Å; A976-F1001 HydrophobicContact CB-CE1 3.45Å; A976-F1001 VanDerWaalsContact CB-CE1 3.45Å; A976-F1001 HydrophobicContact CB-CE2 4.43Å; A976-F1001 HydrophobicContact CB-CG 4.14Å; A976-F1001 HydrophobicContact CB-CZ 3.9Å; A976-V1004 HydrophobicContact CB-CG1 4.19Å |
| 977 | R | 94.6 | Very high | 91.6 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.3 | -178.1 | -61.2 | -173.8 | -165.8 | -160.4 | 18.2 | 111.1 | G950 H951 V968 S969 D973 T975 W979 P986 L988 I989 | G950-R977 PolarHBondContact O-NH1 3.02Å; G950-R977 PolarHBondContact O-NH2 3.25Å; H951-R977 PolarHBondContact CE1-NE 2.83Å; H951-R977 PolarHBondContact ND1-NE 3.19Å; V968-R977 CarbonylContact C-O 3.48Å; V968-R977 VanDerWaalsContact CA-O 3.3Å; V968-R977 WeakPolarHBondContact CA-O 3.35Å; S969-R977 PolarHBondContact N-O 3.37Å; S969-R977 PolarHBondContact O-N 3.25Å; D973-R977 IonicContact OD2-CZ 3.3Å; D973-R977 IonicContact OD2-NE 3.2Å; D973-R977 IonicContact OD2-NH2 3.24Å; D973-R977 PolarHBondContact OD2-NH2 2.84Å; T975-R977 PolarHBondContact OG1-NE 2.96Å; R977-W979 HydrophobicContact CB-CZ2 4.3Å; R977-W979 VanDerWaalsContact O-CD1 3.26Å; R977-W979 PolarHBondContact O-NE1 3Å; R977-P986 HydrophobicContact CB-CB 4.1Å; R977-L988 WeakPolarHBondContact CA-O 3.35Å; R977-I989 HydrophobicContact CG-CB 4.46Å; R977-I989 HydrophobicContact CG-CG1 4.14Å; R977-I989 HydrophobicContact CG-CG2 4.19Å |
| 978 | L | 93.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.8 | 171.4 | 179.3 | 63.9 | 0 | 0 | 0 | 109.1 | W961 V968 P986 V987 L988 | W961-L978 HydrophobicContact CD2-CD1 4.22Å; W961-L978 HydrophobicContact CE3-CD1 3.52Å; W961-L978 HydrophobicContact CE3-CD2 4.18Å; W961-L978 HydrophobicContact CE3-CG 4.44Å; W961-L978 HydrophobicContact CZ3-CD1 4.05Å; W961-L978 HydrophobicContact CZ3-CD2 3.82Å; V968-L978 HydrophobicContact CG2-CD1 3.71Å; L978-P986 CarbonylContact O-C 3.6Å; L978-P986 VanDerWaalsContact O-CA 3.32Å; L978-P986 WeakPolarHBondContact O-CA 3.34Å; L978-P986 WeakPolarHBondContact O-CB 3.4Å; L978-V987 PolarHBondContact O-N 3.16Å; L978-L988 HydrophobicContact CB-CB 3.95Å; L978-L988 HydrophobicContact CD2-CB 4.31Å; L978-L988 PolarHBondContact N-O 3.21Å |
| 979 | W | 91.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.8 | 179.4 | -56.1 | 83.7 | 0 | 0 | 0 | 109.7 | I920 M948 F967 S969 R977 P986 | I920-W979 HydrophobicContact CD1-CZ2 4.11Å; M948-W979 HydrophobicContact CB-CE3 4.15Å; M948-W979 HydrophobicContact CB-CH2 4.33Å; M948-W979 HydrophobicContact CB-CZ3 3.84Å; M948-W979 HydrophobicContact CG-CE3 4.45Å; M948-W979 HydrophobicContact CG-CZ3 4.5Å; M948-W979 HydrophobicContact SD-CE3 4.24Å; F967-W979 HydrophobicContact CD1-CB 3.95Å; F967-W979 HydrophobicContact CD2-CB 4.32Å; F967-W979 AromaticContact CD2-CD1 3.94Å; F967-W979 HydrophobicContact CD2-CG 4.39Å; F967-W979 HydrophobicContact CE1-CB 3.45Å; F967-W979 VanDerWaalsContact CE1-CB 3.45Å; F967-W979 HydrophobicContact CE1-CG 4.09Å; F967-W979 HydrophobicContact CE2-CB 3.85Å; F967-W979 AromaticContact CE2-CD1 3.35Å; F967-W979 AromaticContact CE2-CG 3.65Å; F967-W979 HydrophobicContact CE2-CG 3.65Å; F967-W979 HydrophobicContact CG-CB 4.36Å; F967-W979 HydrophobicContact CZ-CB 3.39Å; F967-W979 AromaticContact CZ-CD1 3.7Å; F967-W979 HydrophobicContact CZ-CD2 4.2Å; F967-W979 AromaticContact CZ-CG 3.48Å; F967-W979 HydrophobicContact CZ-CG 3.48Å; F967-W979 VanDerWaalsContact CZ-CG 3.48Å; F967-W979 PolarHBondContact N-O 2.81Å; F967-W979 VanDerWaalsContact N-O 3.1Å; F967-W979 PolarHBondContact O-N 2.93Å; S969-W979 PolarHBondContact OG-NE1 2.97Å; R977-W979 HydrophobicContact CB-CZ2 4.3Å; R977-W979 VanDerWaalsContact O-CD1 3.26Å; R977-W979 PolarHBondContact O-NE1 3Å; W979-P986 HydrophobicContact CD2-CB 4Å; W979-P986 HydrophobicContact CE3-CB 3.97Å; W979-P986 HydrophobicContact CH2-CB 4.18Å; W979-P986 HydrophobicContact CH2-CG 4.12Å; W979-P986 HydrophobicContact CZ2-CB 4.2Å; W979-P986 HydrophobicContact CZ2-CG 4.47Å; W979-P986 HydrophobicContact CZ3-CB 4.06Å; W979-P986 HydrophobicContact CZ3-CG 4.17Å |
| 980 | D | 88.3 | Confident | 91.4 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.7 | 163 | -170.4 | -21.8 | 0 | 0 | 0 | 107.8 | L966 R982 A983 V987 | L966-D980 HydrophobicContact CD2-CB 3.69Å; D980-R982 PolarHBondContact O-N 3.11Å; D980-R982 VanDerWaalsContact O-N 3.13Å; D980-R982 VanDerWaalsContact OD1-CB 3.25Å; D980-R982 WeakPolarHBondContact OD1-CB 3.23Å; D980-R982 VanDerWaalsContact OD1-CG 3.27Å; D980-R982 WeakPolarHBondContact OD1-CG 3.3Å; D980-R982 PolarHBondContact OD1-N 3.23Å; D980-R982 IonicContact OD1-NE 3.19Å; D980-R982 PolarHBondContact OD1-NE 2.9Å; D980-R982 IonicContact OD2-CZ 2.67Å; D980-R982 IonicContact OD2-NE 2.76Å; D980-R982 PolarHBondContact OD2-NE 3.2Å; D980-R982 IonicContact OD2-NH2 3.01Å; D980-R982 PolarHBondContact OD2-NH2 3.05Å; D980-A983 HydrophobicContact CB-CB 4.26Å; D980-A983 PolarHBondContact O-N 3.34Å; D980-V987 HydrophobicContact CB-CG2 3.7Å |
| 981 | L | 86.1 | Confident | 91.2 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.8 | 176.5 | -62.6 | 173.6 | 0 | 0 | 0 | 113 | L892 L922 R946 M948 S965 F967 | L892-L981 HydrophobicContact CD1-CD1 3.53Å; L922-L981 HydrophobicContact CD1-CD1 4.39Å; L922-L981 HydrophobicContact CD2-CD1 3.96Å; L922-L981 HydrophobicContact CD2-CD2 4.08Å; R946-L981 PolarHBondContact NH1-O 3.06Å; M948-L981 HydrophobicContact CE-CD2 4.05Å; M948-L981 HydrophobicContact SD-CD2 3.68Å; S965-L981 WeakPolarHBondContact O-CG 3.3Å; S965-L981 PolarHBondContact O-N 2.94Å; F967-L981 HydrophobicContact CE1-CD2 3.92Å; F967-L981 HydrophobicContact CE1-CG 4.38Å |
| 982 | R | 80.8 | Confident | 90.9 | Very high | 190 Ų | 190 | 39.4 Ų | 39.4 | 72% | 0.717 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -23.7 | 170 | -58.4 | 177 | -66.7 | -179 | 5 | 113.5 | D980 | D980-R982 PolarHBondContact O-N 3.11Å; D980-R982 VanDerWaalsContact O-N 3.13Å; D980-R982 VanDerWaalsContact OD1-CB 3.25Å; D980-R982 WeakPolarHBondContact OD1-CB 3.23Å; D980-R982 VanDerWaalsContact OD1-CG 3.27Å; D980-R982 WeakPolarHBondContact OD1-CG 3.3Å; D980-R982 PolarHBondContact OD1-N 3.23Å; D980-R982 IonicContact OD1-NE 3.19Å; D980-R982 PolarHBondContact OD1-NE 2.9Å; D980-R982 IonicContact OD2-CZ 2.67Å; D980-R982 IonicContact OD2-NE 2.76Å; D980-R982 PolarHBondContact OD2-NE 3.2Å; D980-R982 IonicContact OD2-NH2 3.01Å; D980-R982 PolarHBondContact OD2-NH2 3.05Å |
| 983 | A | 85.1 | Confident | 90.2 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -94.5 | 155.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | R946 D980 V987 | R946-A983 VanDerWaalsContact CZ-O 3.25Å; R946-A983 PolarHBondContact NH1-O 2.5Å; R946-A983 PolarHBondContact NH2-O 3.11Å; D980-A983 HydrophobicContact CB-CB 4.26Å; D980-A983 PolarHBondContact O-N 3.34Å; A983-V987 HydrophobicContact CB-CG2 3.75Å |
| 984 | P | 82.2 | Confident | 89.1 | Confident | 82 Ų | 82 | 41.4 Ų | 41.4 | 53% | 0.532 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -73.9 | -30.2 | 175.9 | 29.2 | -35 | 0 | 0 | 0 | 113.4 | M393 R946 | M393-P984 HydrophobicContact SD-CG 4.02Å; R946-P984 VanDerWaalsContact NH2-C 3.32Å; R946-P984 PolarHBondContact NH2-O 2.87Å |
| 985 | A | 88.3 | Confident | 87.7 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -125.9 | 169.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 986 | P | 90.7 | Very high | 85.9 | Confident | 28 Ų | 28 | 47.9 Ų | 47.9 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 137.9 | 167.8 | 27.4 | -34.2 | 0 | 0 | 0 | 110.1 | R977 L978 W979 I989 | R977-P986 HydrophobicContact CB-CB 4.1Å; L978-P986 CarbonylContact O-C 3.6Å; L978-P986 VanDerWaalsContact O-CA 3.32Å; L978-P986 WeakPolarHBondContact O-CA 3.34Å; L978-P986 WeakPolarHBondContact O-CB 3.4Å; W979-P986 HydrophobicContact CD2-CB 4Å; W979-P986 HydrophobicContact CE3-CB 3.97Å; W979-P986 HydrophobicContact CH2-CB 4.18Å; W979-P986 HydrophobicContact CH2-CG 4.12Å; W979-P986 HydrophobicContact CZ2-CB 4.2Å; W979-P986 HydrophobicContact CZ2-CG 4.47Å; W979-P986 HydrophobicContact CZ3-CB 4.06Å; W979-P986 HydrophobicContact CZ3-CG 4.17Å; P986-I989 HydrophobicContact CG-CD1 4.34Å; P986-I989 HydrophobicContact CG-CG1 4.29Å |
| 987 | V | 90.5 | Very high | 84.7 | Confident | 66 Ų | 66 | 57 Ų | 57 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -29.5 | -174.5 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | L978 D980 A983 | L978-V987 PolarHBondContact O-N 3.16Å; D980-V987 HydrophobicContact CB-CG2 3.7Å; A983-V987 HydrophobicContact CB-CG2 3.75Å |
| 988 | L | 91.9 | Very high | 84 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140.7 | 173.7 | -177.7 | 65.9 | 0 | 0 | 0 | 109.9 | R977 L978 V990 F1025 | R977-L988 WeakPolarHBondContact CA-O 3.35Å; L978-L988 HydrophobicContact CB-CB 3.95Å; L978-L988 HydrophobicContact CD2-CB 4.31Å; L978-L988 PolarHBondContact N-O 3.21Å; L988-V990 HydrophobicContact CD2-CG2 4Å; L988-V990 HydrophobicContact CG-CG2 4.13Å; L988-F1025 HydrophobicContact CD2-CE1 3.69Å; L988-F1025 HydrophobicContact CD2-CZ 3.98Å |
| 989 | I | 93.6 | Very high | 84 | Confident | 85 Ų | 85 | 57.1 Ų | 57.1 | 44% | 0.436 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 116.2 | 172.7 | -57 | -178.8 | 0 | 0 | 0 | 107.5 | T975 R977 P986 | T975-I989 HydrophobicContact CG2-CG2 3.84Å; R977-I989 HydrophobicContact CG-CB 4.46Å; R977-I989 HydrophobicContact CG-CG1 4.14Å; R977-I989 HydrophobicContact CG-CG2 4.19Å; P986-I989 HydrophobicContact CG-CD1 4.34Å; P986-I989 HydrophobicContact CG-CG1 4.29Å |
| 990 | V | 93 | Very high | 84.2 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 110.7 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 108 | T975 A976 L988 Y993 L1013 F1025 | T975-V990 WeakPolarHBondContact CA-O 3.31Å; A976-V990 HydrophobicContact CB-CB 4.29Å; A976-V990 PolarHBondContact N-O 2.73Å; A976-V990 PolarHBondContact O-N 2.75Å; L988-V990 HydrophobicContact CD2-CG2 4Å; L988-V990 HydrophobicContact CG-CG2 4.13Å; V990-Y993 HydrophobicContact CG1-CE2 4.03Å; V990-L1013 HydrophobicContact CG2-CD2 4.38Å; V990-F1025 HydrophobicContact CB-CE2 4.49Å; V990-F1025 HydrophobicContact CG1-CD2 3.56Å; V990-F1025 HydrophobicContact CG1-CE2 3.8Å; V990-F1025 HydrophobicContact CG1-CG 3.99Å; V990-F1025 HydrophobicContact CG1-CZ 4.42Å; V990-F1025 HydrophobicContact CG2-CD1 4.09Å; V990-F1025 HydrophobicContact CG2-CD2 4.3Å; V990-F1025 HydrophobicContact CG2-CE1 3.85Å; V990-F1025 HydrophobicContact CG2-CE2 4.05Å; V990-F1025 HydrophobicContact CG2-CG 4.31Å; V990-F1025 HydrophobicContact CG2-CZ 3.82Å |
| 991 | P | 91.7 | Very high | 84.6 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 161.4 | 176.2 | 31.8 | -35.4 | 0 | 0 | 0 | 111.1 | Y993 | P991-Y993 HydrophobicContact CG-CE1 4.24Å; P991-Y993 HydrophobicContact CG-CE2 4.16Å; P991-Y993 VanDerWaalsContact O-CD2 3.25Å; P991-Y993 WeakPolarHBondContact O-CD2 3.32Å; P991-Y993 VanDerWaalsContact O-CE2 3.26Å; P991-Y993 WeakPolarHBondContact O-CE2 3.35Å; P991-Y993 PolarHBondContact O-N 3.2Å |
| 992 | S | 89.6 | Confident | 85 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | trans | -74.2 | 120.1 | 168.7 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | A974 S994 S999 | A974-S992 PolarHBondContact O-N 3.09Å; S992-S994 VanDerWaalsContact C-N 3.28Å; S992-S994 PolarHBondContact O-N 2.89Å; S992-S999 VanDerWaalsContact CB-O 3.29Å; S992-S999 WeakPolarHBondContact CB-O 3.23Å; S992-S999 PolarHBondContact OG-N 3.41Å; S992-S999 PolarHBondContact OG-O 3.04Å; S992-S999 VanDerWaalsContact OG-O 3.1Å | ||
| 993 | Y | 81.2 | Confident | 85.8 | Confident | 91 Ų | 91 | 46 Ų | 46 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | trans | -84.1 | 1.8 | 177.5 | -63.6 | -84.3 | 0 | 0 | 0 | 113.7 | V990 P991 F1025 Y1032 | V990-Y993 HydrophobicContact CG1-CE2 4.03Å; P991-Y993 HydrophobicContact CG-CE1 4.24Å; P991-Y993 HydrophobicContact CG-CE2 4.16Å; P991-Y993 VanDerWaalsContact O-CD2 3.25Å; P991-Y993 WeakPolarHBondContact O-CD2 3.32Å; P991-Y993 VanDerWaalsContact O-CE2 3.26Å; P991-Y993 WeakPolarHBondContact O-CE2 3.35Å; P991-Y993 PolarHBondContact O-N 3.2Å; Y993-F1025 HydrophobicContact CE2-CD2 4.03Å; Y993-F1025 HydrophobicContact CE2-CE2 4.23Å; Y993-Y1032 HydrophobicContact CD1-CD2 4.07Å; Y993-Y1032 HydrophobicContact CD1-CG 4.01Å; Y993-Y1032 AromaticContact CD2-CD2 3.37Å; Y993-Y1032 HydrophobicContact CD2-CD2 3.37Å; Y993-Y1032 HydrophobicContact CD2-CE2 4.01Å; Y993-Y1032 AromaticContact CD2-CG 3.99Å; Y993-Y1032 HydrophobicContact CD2-CG 3.99Å; Y993-Y1032 HydrophobicContact CE1-CG 4.29Å; Y993-Y1032 AromaticContact CE2-CD2 3.97Å; Y993-Y1032 HydrophobicContact CE2-CD2 3.97Å; Y993-Y1032 HydrophobicContact CE2-CG 4.27Å; Y993-Y1032 AromaticContact CG-CD2 3.44Å; Y993-Y1032 HydrophobicContact CG-CD2 3.44Å; Y993-Y1032 VanDerWaalsContact CG-CD2 3.44Å; Y993-Y1032 AromaticContact CG-CE2 3.79Å; Y993-Y1032 HydrophobicContact CG-CE2 3.79Å; Y993-Y1032 AromaticContact CG-CG 3.87Å; Y993-Y1032 HydrophobicContact CG-CG 3.87Å | ||
| 994 | S | 72.5 | Confident | 86.3 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -102.3 | 130.8 | 177.1 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | S992 G998 D1019 T1021 R1037 | S992-S994 VanDerWaalsContact C-N 3.28Å; S992-S994 PolarHBondContact O-N 2.89Å; S994-G998 CarbonylContact O-C 3.57Å; S994-G998 VanDerWaalsContact O-C 3.29Å; S994-G998 WeakPolarHBondContact O-CA 3.48Å; S994-D1019 WeakPolarHBondContact CB-OD2 3.24Å; S994-D1019 PolarHBondContact OG-OD2 3.35Å; S994-T1021 WeakPolarHBondContact CB-OG1 3.28Å; S994-T1021 WeakPolarHBondContact OG-CG2 3.26Å; S994-R1037 PolarHBondContact OG-NH2 2.93Å |
| 995 | G | 64.5 | Low | 87 | Confident | 46 Ų | 46 | 41.8 Ų | 41.8 | 47% | 0.474 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 77 | 156 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q997 G998 | G995-Q997 PolarHBondContact O-N 3.04Å; G995-G998 PolarHBondContact O-N 3.23Å |
| 996 | S | 58.7 | Low | 87.1 | Confident | 132 Ų | 132 | 39.9 Ų | 39.9 | 92% | 0.923 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -2.6 | -177.6 | -173 | 0 | 0 | 0 | 0 | 115 | ||
| 997 | Q | 69.5 | Low | 86.9 | Confident | 191 Ų | 191 | 39.9 Ų | 39.9 | 89% | 0.893 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | 6.7 | 178.1 | -65.1 | -171 | -21.1 | 0 | 0 | 112.6 | G995 | G995-Q997 PolarHBondContact O-N 3.04Š|
| 998 | G | 81.7 | Confident | 86.2 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | trans | 72.1 | 169.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S994 G995 | S994-G998 CarbonylContact O-C 3.57Å; S994-G998 VanDerWaalsContact O-C 3.29Å; S994-G998 WeakPolarHBondContact O-CA 3.48Å; G995-G998 PolarHBondContact O-N 3.23Å | ||
| 999 | S | 92.9 | Very high | 85.2 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | trans | -136.6 | 136.9 | 173.3 | -170.2 | 0 | 0 | 0 | 0 | 111 | S992 H1017 D1019 | S992-S999 VanDerWaalsContact CB-O 3.29Å; S992-S999 WeakPolarHBondContact CB-O 3.23Å; S992-S999 PolarHBondContact OG-N 3.41Å; S992-S999 PolarHBondContact OG-O 3.04Å; S992-S999 VanDerWaalsContact OG-O 3.1Å; S999-H1017 PolarHBondContact O-ND1 3.4Å; S999-D1019 WeakPolarHBondContact OG-CB 3.2Å; S999-D1019 PolarHBondContact OG-N 3.11Å; S999-D1019 VanDerWaalsContact OG-N 3.11Å | ||
| 1000 | A | 94.8 | Very high | 84.4 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | trans | -52.8 | 137.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1002 H1017 E1018 | A1000-A1002 PolarHBondContact O-N 3.24Å; A1000-H1017 VanDerWaalsContact O-CA 3.27Å; A1000-H1017 WeakPolarHBondContact O-CA 3.27Å; A1000-E1018 HydrophobicContact CB-CB 4.43Å; A1000-E1018 HydrophobicContact CB-CG 3.87Å; A1000-E1018 PolarHBondContact O-N 3.33Å | ||
| 1001 | F | 96.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 87.1 | 178.4 | -77.2 | -107 | 0 | 0 | 0 | 109.8 | S971 A974 T975 A976 S1003 V1004 S1015 H1017 | S971-F1001 PolarHBondContact O-N 3.03Å; A974-F1001 WeakPolarHBondContact O-CE2 3.34Å; T975-F1001 VanDerWaalsContact C-CE2 3.44Å; A976-F1001 HydrophobicContact CB-CD1 3.57Å; A976-F1001 HydrophobicContact CB-CE1 3.45Å; A976-F1001 VanDerWaalsContact CB-CE1 3.45Å; A976-F1001 HydrophobicContact CB-CE2 4.43Å; A976-F1001 HydrophobicContact CB-CG 4.14Å; A976-F1001 HydrophobicContact CB-CZ 3.9Å; F1001-S1003 VanDerWaalsContact C-N 3.3Å; F1001-S1003 PolarHBondContact O-N 2.86Å; F1001-V1004 HydrophobicContact CD1-CG1 4.01Å; F1001-S1015 VanDerWaalsContact CD1-CB 3.41Å; F1001-H1017 AromaticContact CD1-CE1 3.67Å; F1001-H1017 AromaticContact CD2-CE1 3.79Å; F1001-H1017 AromaticContact CE1-CE1 3.53Å; F1001-H1017 AromaticContact CE1-NE2 3.95Å; F1001-H1017 AromaticContact CE2-CE1 3.67Å; F1001-H1017 AromaticContact CG-CE1 3.8Å; F1001-H1017 AromaticContact CZ-CE1 3.55Å |
| 1002 | A | 96.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | -33.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1000 G1016 E1018 E1042 R1044 | A1000-A1002 PolarHBondContact O-N 3.24Å; A1002-G1016 WeakPolarHBondContact CA-O 3.46Å; A1002-G1016 WeakPolarHBondContact CB-O 3.48Å; A1002-G1016 PolarHBondContact N-O 2.81Å; A1002-E1018 HydrophobicContact CB-CG 4.39Å; A1002-E1042 HydrophobicContact CB-CG 3.82Å; A1002-R1044 VanDerWaalsContact O-CZ 3.28Å; A1002-R1044 PolarHBondContact O-NH1 3.46Å; A1002-R1044 VanDerWaalsContact O-NH1 3.09Å; A1002-R1044 PolarHBondContact O-NH2 2.56Å |
| 1003 | S | 96.8 | Very high | 83.8 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 147 | 176.6 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | F1001 S1015 G1016 V1046 | F1001-S1003 VanDerWaalsContact C-N 3.3Å; F1001-S1003 PolarHBondContact O-N 2.86Å; S1003-S1015 CarbonylContact O-C 3.29Å; S1003-S1015 WeakPolarHBondContact O-CA 3.3Å; S1003-G1016 PolarHBondContact N-O 3Å; S1003-G1016 PolarHBondContact O-N 2.79Å; S1003-V1046 PolarHBondContact OG-N 3.33Å |
| 1004 | V | 96.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.3 | 168.5 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | S957 V968 A976 F1001 L1013 | S957-V1004 PolarHBondContact OG-N 2.84Å; V968-V1004 HydrophobicContact CG1-CB 4.45Å; V968-V1004 HydrophobicContact CG1-CG2 4.37Å; A976-V1004 HydrophobicContact CB-CG1 4.19Å; F1001-V1004 HydrophobicContact CD1-CG1 4.01Å; V1004-L1013 HydrophobicContact CB-CD1 4.35Å |
| 1005 | T | 95 | Very high | 85.6 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 142.3 | 171.7 | -168.5 | 0 | 0 | 0 | 0 | 110 | A1014 V1046 F1048 L1055 | T1005-A1014 HydrophobicContact CG2-CB 4.02Å; T1005-A1014 PolarHBondContact N-O 3.48Å; T1005-A1014 PolarHBondContact O-N 2.96Å; T1005-V1046 WeakPolarHBondContact CB-O 3.4Å; T1005-V1046 HydrophobicContact CG2-CB 4.15Å; T1005-V1046 HydrophobicContact CG2-CG2 3.87Å; T1005-V1046 WeakPolarHBondContact CG2-O 3.25Å; T1005-F1048 HydrophobicContact CG2-CD2 3.66Å; T1005-F1048 HydrophobicContact CG2-CE2 3.88Å; T1005-L1055 HydrophobicContact CG2-CD1 3.91Å |
| 1006 | V | 91.3 | Very high | 87.1 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 150.8 | 171.2 | -158.6 | 0 | 0 | 0 | 0 | 110 | S959 W961 V968 L1012 L1013 L1027 F1048 | S959-V1006 PolarHBondContact OG-N 3.26Å; W961-V1006 HydrophobicContact CG-CG1 4.28Å; V968-V1006 HydrophobicContact CB-CG2 4.26Å; V968-V1006 HydrophobicContact CG2-CG2 3.79Å; V1006-L1012 WeakPolarHBondContact CG1-O 3.5Å; V1006-L1013 HydrophobicContact CG2-CD1 4.23Å; V1006-L1027 HydrophobicContact CG1-CD1 3.56Å; V1006-L1027 HydrophobicContact CG2-CD1 4.44Å; V1006-F1048 VanDerWaalsContact C-CD2 3.41Å; V1006-F1048 WeakPolarHBondContact O-CD2 3.47Å |
| 1007 | E | 87.2 | Confident | 88.8 | Confident | 28 Ų | 28 | 27.5 Ų | 27.5 | 13% | 0.131 | 16% | 0.156 | C | C | . | . | trans | -64.6 | 143.8 | 175.3 | -173.3 | -153.9 | 177.6 | 0 | 0 | 112 | N1009 C1010 N1011 L1012 F1048 A1052 | E1007-N1009 VanDerWaalsContact C-N 3.27Å; E1007-N1009 HydrophobicContact CG-CB 4.47Å; E1007-N1009 PolarHBondContact O-N 3.33Å; E1007-N1009 WeakPolarHBondContact OE1-CB 3.48Å; E1007-N1009 PolarHBondContact OE1-ND2 3.35Å; E1007-C1010 WeakPolarHBondContact O-CA 3.48Å; E1007-C1010 PolarHBondContact O-N 3.42Å; E1007-N1011 PolarHBondContact OE2-N 2.93Å; E1007-L1012 HydrophobicContact CB-CB 4.02Å; E1007-L1012 WeakPolarHBondContact CB-O 3.38Å; E1007-L1012 PolarHBondContact N-O 2.97Å; E1007-L1012 PolarHBondContact OE2-N 3.01Å; E1007-F1048 HydrophobicContact CB-CD2 4.25Å; E1007-F1048 HydrophobicContact CB-CE2 4.09Å; E1007-F1048 HydrophobicContact CB-CZ 4.23Å; E1007-A1052 HydrophobicContact CG-CB 3.68Å | ||
| 1008 | P | 75.2 | Confident | 90 | Very high | 71 Ų | 71 | 22.3 Ų | 22.3 | 46% | 0.461 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.6 | 172.9 | -29.5 | 35.8 | 0 | 0 | 0 | 115.6 | C1010 | P1008-C1010 PolarHBondContact O-N 3.18Å; P1008-C1010 PolarHBondContact O-SG 3.11Å; P1008-C1010 VanDerWaalsContact O-SG 3.42Å |
| 1009 | N | 70.8 | Confident | 90.6 | Very high | 103 Ų | 103 | 23.2 Ų | 23.2 | 55% | 0.551 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 4.8 | 176.4 | -53.6 | -54.7 | 0 | 0 | 0 | 113.6 | E1007 N1011 | E1007-N1009 VanDerWaalsContact C-N 3.27Å; E1007-N1009 HydrophobicContact CG-CB 4.47Å; E1007-N1009 PolarHBondContact O-N 3.33Å; E1007-N1009 WeakPolarHBondContact OE1-CB 3.48Å; E1007-N1009 PolarHBondContact OE1-ND2 3.35Å; N1009-N1011 PolarHBondContact O-N 3.4Å; N1009-N1011 PolarHBondContact O-ND2 3.34Å |
| 1010 | C | 76.8 | Confident | 90.6 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 64.4 | 27.8 | 171.2 | -55.6 | 0 | 0 | 0 | 0 | 115.5 | W961 E1007 P1008 | W961-C1010 VanDerWaalsContact CE2-O 3.27Å; W961-C1010 VanDerWaalsContact CZ2-O 3.24Å; W961-C1010 WeakPolarHBondContact CZ2-O 3.39Å; W961-C1010 VanDerWaalsContact NE1-CA 3.28Å; W961-C1010 VanDerWaalsContact NE1-CB 3.34Å; W961-C1010 PolarHBondContact NE1-O 2.93Å; W961-C1010 PolarHBondContact O-SG 3.44Å; E1007-C1010 WeakPolarHBondContact O-CA 3.48Å; E1007-C1010 PolarHBondContact O-N 3.42Å; P1008-C1010 PolarHBondContact O-N 3.18Å; P1008-C1010 PolarHBondContact O-SG 3.11Å; P1008-C1010 VanDerWaalsContact O-SG 3.42Å |
| 1011 | N | 82.2 | Confident | 90.6 | Very high | 61 Ų | 61 | 23 Ų | 23 | 33% | 0.326 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -113.7 | -34.6 | 175.4 | -61 | -72.2 | 0 | 0 | 0 | 114 | E1007 N1009 L1027 | E1007-N1011 PolarHBondContact OE2-N 2.93Å; N1009-N1011 PolarHBondContact O-N 3.4Å; N1009-N1011 PolarHBondContact O-ND2 3.34Å; N1011-L1027 WeakPolarHBondContact O-CB 3.28Å; N1011-L1027 PolarHBondContact O-N 3.22Å |
| 1012 | L | 87.8 | Confident | 90.5 | Very high | 20 Ų | 20 | 23 Ų | 23 | 11% | 0.105 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.3 | -172 | -174.2 | 64.9 | 0 | 0 | 0 | 113.4 | V1006 E1007 I1033 F1048 F1069 L1073 | V1006-L1012 WeakPolarHBondContact CG1-O 3.5Å; E1007-L1012 HydrophobicContact CB-CB 4.02Å; E1007-L1012 WeakPolarHBondContact CB-O 3.38Å; E1007-L1012 PolarHBondContact N-O 2.97Å; E1007-L1012 PolarHBondContact OE2-N 3.01Å; L1012-I1033 HydrophobicContact CD1-CD1 3.44Å; L1012-I1033 VanDerWaalsContact CD1-CD1 3.44Å; L1012-F1048 HydrophobicContact CB-CZ 4.37Å; L1012-F1048 HydrophobicContact CD2-CE1 4.06Å; L1012-F1048 HydrophobicContact CD2-CZ 3.89Å; L1012-F1048 HydrophobicContact CG-CZ 3.96Å; L1012-F1069 HydrophobicContact CD2-CD2 3.7Å; L1012-F1069 HydrophobicContact CD2-CE2 3.68Å; L1012-L1073 HydrophobicContact CD1-CD1 4.43Å; L1012-L1073 HydrophobicContact CD2-CD1 4.05Å |
| 1013 | L | 92.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.2 | 169.4 | 169 | 64.8 | 0 | 0 | 0 | 109.9 | V968 V990 V1004 V1006 F1025 L1027 | V968-L1013 HydrophobicContact CG1-CD1 4.03Å; V968-L1013 HydrophobicContact CG1-CD2 4.35Å; V990-L1013 HydrophobicContact CG2-CD2 4.38Å; V1004-L1013 HydrophobicContact CB-CD1 4.35Å; V1006-L1013 HydrophobicContact CG2-CD1 4.23Å; L1013-F1025 HydrophobicContact CB-CB 4.28Å; L1013-F1025 HydrophobicContact CD2-CB 4.28Å; L1013-F1025 HydrophobicContact CG-CB 4.47Å; L1013-F1025 PolarHBondContact N-O 3Å; L1013-F1025 PolarHBondContact O-N 2.99Å; L1013-L1027 HydrophobicContact CB-CD1 4.07Å; L1013-L1027 HydrophobicContact CB-CD2 4Å; L1013-L1027 HydrophobicContact CB-CG 3.87Å; L1013-L1027 HydrophobicContact CD2-CD2 4.11Å |
| 1014 | A | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1005 S1023 L1024 F1048 L1055 | T1005-A1014 HydrophobicContact CG2-CB 4.02Å; T1005-A1014 PolarHBondContact N-O 3.48Å; T1005-A1014 PolarHBondContact O-N 2.96Å; A1014-S1023 WeakPolarHBondContact CA-O 3.41Å; A1014-L1024 HydrophobicContact CB-CD2 3.73Å; A1014-F1048 HydrophobicContact CB-CE2 3.9Å; A1014-F1048 HydrophobicContact CB-CZ 3.91Å; A1014-L1055 HydrophobicContact CB-CD1 3.9Å; A1014-L1055 HydrophobicContact CB-CD2 4.19Å |
| 1015 | S | 95.7 | Very high | 90 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.2 | 176.5 | 60.8 | 0 | 0 | 0 | 0 | 112.1 | F1001 S1003 H1017 I1022 S1023 | F1001-S1015 VanDerWaalsContact CD1-CB 3.41Å; S1003-S1015 CarbonylContact O-C 3.29Å; S1003-S1015 WeakPolarHBondContact O-CA 3.3Å; S1015-H1017 PolarHBondContact OG-NE2 3.16Å; S1015-I1022 CarbonylContact O-C 3.6Å; S1015-I1022 WeakPolarHBondContact O-CA 3.34Å; S1015-I1022 WeakPolarHBondContact O-CG2 3.39Å; S1015-S1023 PolarHBondContact N-O 3.23Å; S1015-S1023 PolarHBondContact O-N 3.21Å; S1015-S1023 PolarHBondContact OG-OG 3.12Å |
| 1016 | G | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | A1002 S1003 | A1002-G1016 WeakPolarHBondContact CA-O 3.46Å; A1002-G1016 WeakPolarHBondContact CB-O 3.48Å; A1002-G1016 PolarHBondContact N-O 2.81Å; S1003-G1016 PolarHBondContact N-O 3Å; S1003-G1016 PolarHBondContact O-N 2.79Å |
| 1017 | H | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 165.9 | -171.7 | -63 | -95.4 | 0 | 0 | 0 | 113.7 | S999 A1000 F1001 S1015 D1019 T1021 E1042 V1043 | S999-H1017 PolarHBondContact O-ND1 3.4Å; A1000-H1017 VanDerWaalsContact O-CA 3.27Å; A1000-H1017 WeakPolarHBondContact O-CA 3.27Å; F1001-H1017 AromaticContact CD1-CE1 3.67Å; F1001-H1017 AromaticContact CD2-CE1 3.79Å; F1001-H1017 AromaticContact CE1-CE1 3.53Å; F1001-H1017 AromaticContact CE1-NE2 3.95Å; F1001-H1017 AromaticContact CE2-CE1 3.67Å; F1001-H1017 AromaticContact CG-CE1 3.8Å; F1001-H1017 AromaticContact CZ-CE1 3.55Å; S1015-H1017 PolarHBondContact OG-NE2 3.16Å; H1017-D1019 VanDerWaalsContact C-N 3.32Å; H1017-D1019 WeakPolarHBondContact CB-OD1 3.37Å; H1017-T1021 WeakPolarHBondContact CB-OG1 3.28Å; H1017-T1021 PolarHBondContact CD2-OG1 3.45Å; H1017-T1021 PolarHBondContact N-O 2.84Å; H1017-E1042 WeakPolarHBondContact O-CA 3.45Å; H1017-V1043 PolarHBondContact O-N 3.46Å |
| 1018 | E | 94.8 | Very high | 89 | Confident | 82 Ų | 82 | 30.1 Ų | 30.1 | 38% | 0.383 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.2 | 175.2 | -73.6 | -173.3 | 178.8 | 0 | 0 | 113.5 | Y956 A1000 A1002 S1020 E1042 | Y956-E1018 WeakPolarHBondContact CE2-OE1 3.47Å; A1000-E1018 HydrophobicContact CB-CB 4.43Å; A1000-E1018 HydrophobicContact CB-CG 3.87Å; A1000-E1018 PolarHBondContact O-N 3.33Å; A1002-E1018 HydrophobicContact CB-CG 4.39Å; E1018-S1020 PolarHBondContact O-N 2.88Å; E1018-E1042 HydrophobicContact CB-CG 4.49Å; E1018-E1042 HydrophobicContact CG-CG 4.02Å; E1018-E1042 WeakPolarHBondContact O-CA 3.44Å; E1018-E1042 PolarHBondContact O-N 3.05Å |
| 1019 | D | 92.7 | Very high | 89.2 | Confident | 48 Ų | 48 | 28.7 Ų | 28.7 | 26% | 0.257 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 19.2 | -179.8 | 77.1 | -8.5 | 0 | 0 | 0 | 115 | S994 S999 H1017 T1021 | S994-D1019 WeakPolarHBondContact CB-OD2 3.24Å; S994-D1019 PolarHBondContact OG-OD2 3.35Å; S999-D1019 WeakPolarHBondContact OG-CB 3.2Å; S999-D1019 PolarHBondContact OG-N 3.11Å; S999-D1019 VanDerWaalsContact OG-N 3.11Å; H1017-D1019 VanDerWaalsContact C-N 3.32Å; H1017-D1019 WeakPolarHBondContact CB-OD1 3.37Å; D1019-T1021 VanDerWaalsContact C-N 3.27Å; D1019-T1021 PolarHBondContact O-N 2.81Å; D1019-T1021 WeakPolarHBondContact OD1-CB 3.37Å; D1019-T1021 PolarHBondContact OD1-N 3.13Å; D1019-T1021 PolarHBondContact OD1-OG1 3.16Å |
| 1020 | S | 94.2 | Very high | 89.9 | Confident | 14 Ų | 14 | 25.5 Ų | 25.5 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 69.6 | 1.3 | -175.9 | 75.1 | 0 | 0 | 0 | 0 | 117.5 | E1018 H1039 N1041 | E1018-S1020 PolarHBondContact O-N 2.88Å; S1020-H1039 WeakPolarHBondContact CB-O 3.48Å; S1020-H1039 PolarHBondContact OG-O 3.39Å; S1020-N1041 WeakPolarHBondContact CA-O 3.37Å; S1020-N1041 VanDerWaalsContact CB-O 3.31Å; S1020-N1041 WeakPolarHBondContact CB-O 3.33Å |
| 1021 | T | 94.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | trans | -71.9 | 149.6 | 172.5 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | S994 H1017 D1019 Y1036 R1037 | S994-T1021 WeakPolarHBondContact CB-OG1 3.28Å; S994-T1021 WeakPolarHBondContact OG-CG2 3.26Å; H1017-T1021 WeakPolarHBondContact CB-OG1 3.28Å; H1017-T1021 PolarHBondContact CD2-OG1 3.45Å; H1017-T1021 PolarHBondContact N-O 2.84Å; D1019-T1021 VanDerWaalsContact C-N 3.27Å; D1019-T1021 PolarHBondContact O-N 2.81Å; D1019-T1021 WeakPolarHBondContact OD1-CB 3.37Å; D1019-T1021 PolarHBondContact OD1-N 3.13Å; D1019-T1021 PolarHBondContact OD1-OG1 3.16Å; T1021-Y1036 WeakPolarHBondContact CA-O 3.47Å; T1021-R1037 HydrophobicContact CG2-CG 3.57Å | ||
| 1022 | I | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.8 | 155.5 | -59.4 | -175.5 | 0 | 0 | 0 | 106.9 | S1015 A1035 Y1036 P1038 V1043 V1046 L1055 S1057 | S1015-I1022 CarbonylContact O-C 3.6Å; S1015-I1022 WeakPolarHBondContact O-CA 3.34Å; S1015-I1022 WeakPolarHBondContact O-CG2 3.39Å; I1022-A1035 CarbonylContact O-C 3.54Å; I1022-A1035 WeakPolarHBondContact O-CA 3.44Å; I1022-A1035 WeakPolarHBondContact O-CB 3.27Å; I1022-Y1036 HydrophobicContact CB-CD1 4.47Å; I1022-Y1036 HydrophobicContact CB-CE1 4.01Å; I1022-Y1036 HydrophobicContact CB-CE2 4.31Å; I1022-Y1036 HydrophobicContact CD1-CE2 4.31Å; I1022-Y1036 HydrophobicContact CG2-CE1 3.87Å; I1022-Y1036 PolarHBondContact N-O 3.39Å; I1022-Y1036 PolarHBondContact O-N 2.88Å; I1022-P1038 HydrophobicContact CD1-CG 3.64Å; I1022-P1038 HydrophobicContact CG1-CG 4.09Å; I1022-V1043 HydrophobicContact CD1-CG1 4.24Å; I1022-V1043 HydrophobicContact CG1-CG1 4.12Å; I1022-V1043 HydrophobicContact CG1-CG2 4.19Å; I1022-V1046 HydrophobicContact CD1-CG1 4.06Å; I1022-V1046 HydrophobicContact CG1-CG1 4.29Å; I1022-V1046 HydrophobicContact CG2-CG1 4.42Å; I1022-L1055 HydrophobicContact CD1-CD2 4.34Å; I1022-L1055 HydrophobicContact CG2-CD2 3.86Å; I1022-S1057 VanDerWaalsContact CD1-CB 3.45Å |
| 1023 | S | 93.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148.7 | 175.8 | 97.6 | 0 | 0 | 0 | 0 | 111.8 | A1014 S1015 N1034 | A1014-S1023 WeakPolarHBondContact CA-O 3.41Å; S1015-S1023 PolarHBondContact N-O 3.23Å; S1015-S1023 PolarHBondContact O-N 3.21Å; S1015-S1023 PolarHBondContact OG-OG 3.12Å; S1023-N1034 WeakPolarHBondContact CA-O 3.25Å |
| 1024 | L | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.2 | -178.4 | -56.1 | -176.8 | 0 | 0 | 0 | 110.2 | A1014 I1033 N1034 Y1036 F1069 L1077 | A1014-L1024 HydrophobicContact CB-CD2 3.73Å; L1024-I1033 HydrophobicContact CB-CB 4.21Å; L1024-I1033 HydrophobicContact CB-CD1 4.48Å; L1024-I1033 PolarHBondContact O-N 2.96Å; L1024-N1034 PolarHBondContact N-O 3.03Å; L1024-Y1036 HydrophobicContact CD1-CE1 4.24Å; L1024-Y1036 HydrophobicContact CG-CE1 4.24Å; L1024-F1069 HydrophobicContact CD1-CE2 4.18Å; L1024-F1069 HydrophobicContact CD1-CZ 3.98Å; L1024-F1069 HydrophobicContact CD2-CE2 3.91Å; L1024-F1069 HydrophobicContact CD2-CZ 3.61Å; L1024-F1069 HydrophobicContact CG-CZ 4.48Å; L1024-L1077 HydrophobicContact CD1-CD1 3.72Å |
| 1025 | F | 91.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 132.9 | -174.5 | -171.2 | -81.3 | 0 | 0 | 0 | 110.9 | L988 V990 Y993 L1013 L1027 A1030 R1031 | L988-F1025 HydrophobicContact CD2-CE1 3.69Å; L988-F1025 HydrophobicContact CD2-CZ 3.98Å; V990-F1025 HydrophobicContact CB-CE2 4.49Å; V990-F1025 HydrophobicContact CG1-CD2 3.56Å; V990-F1025 HydrophobicContact CG1-CE2 3.8Å; V990-F1025 HydrophobicContact CG1-CG 3.99Å; V990-F1025 HydrophobicContact CG1-CZ 4.42Å; V990-F1025 HydrophobicContact CG2-CD1 4.09Å; V990-F1025 HydrophobicContact CG2-CD2 4.3Å; V990-F1025 HydrophobicContact CG2-CE1 3.85Å; V990-F1025 HydrophobicContact CG2-CE2 4.05Å; V990-F1025 HydrophobicContact CG2-CG 4.31Å; V990-F1025 HydrophobicContact CG2-CZ 3.82Å; Y993-F1025 HydrophobicContact CE2-CD2 4.03Å; Y993-F1025 HydrophobicContact CE2-CE2 4.23Å; L1013-F1025 HydrophobicContact CB-CB 4.28Å; L1013-F1025 HydrophobicContact CD2-CB 4.28Å; L1013-F1025 HydrophobicContact CG-CB 4.47Å; L1013-F1025 PolarHBondContact N-O 3Å; L1013-F1025 PolarHBondContact O-N 2.99Å; F1025-L1027 HydrophobicContact CD1-CD2 4.1Å; F1025-L1027 HydrophobicContact CE1-CD2 4.35Å; F1025-A1030 WeakPolarHBondContact CZ-O 3.37Å; F1025-R1031 WeakPolarHBondContact CD2-O 3.2Å |
| 1026 | D | 89.8 | Confident | 90.3 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 109.3 | 177.4 | -177.3 | -16.1 | 0 | 0 | 0 | 109.2 | R1028 G1029 A1030 R1031 I1033 | D1026-R1028 VanDerWaalsContact C-N 3.31Å; D1026-R1028 PolarHBondContact O-N 3.04Å; D1026-R1028 PolarHBondContact OD1-N 3.49Å; D1026-G1029 PolarHBondContact OD1-N 2.91Å; D1026-A1030 WeakPolarHBondContact O-CA 3.3Å; D1026-A1030 PolarHBondContact O-N 2.92Å; D1026-R1031 HydrophobicContact CB-CG 3.63Å; D1026-R1031 PolarHBondContact N-O 2.68Å; D1026-R1031 PolarHBondContact O-N 2.94Å; D1026-R1031 IonicContact OD2-CZ 3.14Å; D1026-R1031 IonicContact OD2-NE 2.98Å; D1026-R1031 PolarHBondContact OD2-NE 2.84Å; D1026-R1031 IonicContact OD2-NH2 3.7Å; D1026-R1031 PolarHBondContact OD2-NH2 3.24Å; D1026-I1033 HydrophobicContact CB-CD1 3.99Å; D1026-I1033 HydrophobicContact CB-CG1 4.09Å |
| 1027 | L | 84.8 | Confident | 90.2 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -26 | -179 | -67.5 | 173.6 | 0 | 0 | 0 | 112.5 | W961 V1006 N1011 L1013 F1025 | W961-L1027 HydrophobicContact CD2-CD1 4.26Å; W961-L1027 HydrophobicContact CG-CD1 4.48Å; W961-L1027 HydrophobicContact CZ2-CB 4.14Å; W961-L1027 HydrophobicContact CZ2-CD1 4.18Å; V1006-L1027 HydrophobicContact CG1-CD1 3.56Å; V1006-L1027 HydrophobicContact CG2-CD1 4.44Å; N1011-L1027 WeakPolarHBondContact O-CB 3.28Å; N1011-L1027 PolarHBondContact O-N 3.22Å; L1013-L1027 HydrophobicContact CB-CD1 4.07Å; L1013-L1027 HydrophobicContact CB-CD2 4Å; L1013-L1027 HydrophobicContact CB-CG 3.87Å; L1013-L1027 HydrophobicContact CD2-CD2 4.11Å; F1025-L1027 HydrophobicContact CD1-CD2 4.1Å; F1025-L1027 HydrophobicContact CE1-CD2 4.35Å |
| 1028 | R | 76.9 | Confident | 90 | Very high | 172 Ų | 172 | 40.7 Ų | 40.7 | 65% | 0.649 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -25.9 | -179.4 | -175.2 | 161.5 | -176.4 | 154 | 2.4 | 112.7 | Y400 D1026 | Y400-R1028 WeakPolarHBondContact CE1-O 3.17Å; D1026-R1028 VanDerWaalsContact C-N 3.31Å; D1026-R1028 PolarHBondContact O-N 3.04Å; D1026-R1028 PolarHBondContact OD1-N 3.49Å |
| 1029 | G | 80.1 | Confident | 90 | Very high | 40 Ų | 40 | 37.2 Ų | 37.2 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 1.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | D1026 R1031 | D1026-G1029 PolarHBondContact OD1-N 2.91Å; G1029-R1031 PolarHBondContact O-N 3.1Å |
| 1030 | A | 85.8 | Confident | 90.1 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 32.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1025 D1026 | F1025-A1030 WeakPolarHBondContact CZ-O 3.37Å; D1026-A1030 WeakPolarHBondContact O-CA 3.3Å; D1026-A1030 PolarHBondContact O-N 2.92Å |
| 1031 | R | 88.4 | Confident | 90.1 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 33% | 0.332 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142 | -167.8 | 61.2 | -179.9 | 173.4 | -170.4 | -5.5 | 113 | F1025 D1026 G1029 | F1025-R1031 WeakPolarHBondContact CD2-O 3.2Å; D1026-R1031 HydrophobicContact CB-CG 3.63Å; D1026-R1031 PolarHBondContact N-O 2.68Å; D1026-R1031 PolarHBondContact O-N 2.94Å; D1026-R1031 IonicContact OD2-CZ 3.14Å; D1026-R1031 IonicContact OD2-NE 2.98Å; D1026-R1031 PolarHBondContact OD2-NE 2.84Å; D1026-R1031 IonicContact OD2-NH2 3.7Å; D1026-R1031 PolarHBondContact OD2-NH2 3.24Å; G1029-R1031 PolarHBondContact O-N 3.1Å |
| 1032 | Y | 89.6 | Confident | 90.2 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 34% | 0.337 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 141.8 | 162.8 | 172.2 | -103.7 | 0 | 0 | 0 | 110.7 | Y993 N1034 A1035 | Y993-Y1032 HydrophobicContact CD1-CD2 4.07Å; Y993-Y1032 HydrophobicContact CD1-CG 4.01Å; Y993-Y1032 AromaticContact CD2-CD2 3.37Å; Y993-Y1032 HydrophobicContact CD2-CD2 3.37Å; Y993-Y1032 HydrophobicContact CD2-CE2 4.01Å; Y993-Y1032 AromaticContact CD2-CG 3.99Å; Y993-Y1032 HydrophobicContact CD2-CG 3.99Å; Y993-Y1032 HydrophobicContact CE1-CG 4.29Å; Y993-Y1032 AromaticContact CE2-CD2 3.97Å; Y993-Y1032 HydrophobicContact CE2-CD2 3.97Å; Y993-Y1032 HydrophobicContact CE2-CG 4.27Å; Y993-Y1032 AromaticContact CG-CD2 3.44Å; Y993-Y1032 HydrophobicContact CG-CD2 3.44Å; Y993-Y1032 VanDerWaalsContact CG-CD2 3.44Å; Y993-Y1032 AromaticContact CG-CE2 3.79Å; Y993-Y1032 HydrophobicContact CG-CE2 3.79Å; Y993-Y1032 AromaticContact CG-CG 3.87Å; Y993-Y1032 HydrophobicContact CG-CG 3.87Å; Y1032-N1034 WeakPolarHBondContact CE2-O 3.24Å; Y1032-N1034 VanDerWaalsContact CZ-C 3.48Å; Y1032-A1035 HydrophobicContact CE2-CB 4.01Å; Y1032-A1035 WeakPolarHBondContact OH-CB 3.41Å; Y1032-A1035 PolarHBondContact OH-N 3.22Å |
| 1033 | I | 89.4 | Confident | 90.3 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -56.7 | 178.4 | -51.5 | 174.5 | 0 | 0 | 0 | 110.5 | L1012 L1024 D1026 L1073 | L1012-I1033 HydrophobicContact CD1-CD1 3.44Å; L1012-I1033 VanDerWaalsContact CD1-CD1 3.44Å; L1024-I1033 HydrophobicContact CB-CB 4.21Å; L1024-I1033 HydrophobicContact CB-CD1 4.48Å; L1024-I1033 PolarHBondContact O-N 2.96Å; D1026-I1033 HydrophobicContact CB-CD1 3.99Å; D1026-I1033 HydrophobicContact CB-CG1 4.09Å; I1033-L1073 HydrophobicContact CG2-CB 3.88Å |
| 1034 | N | 89.4 | Confident | 90.5 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 157.8 | -168.1 | -166.7 | -3.6 | 0 | 0 | 0 | 110.8 | S1023 L1024 Y1032 L1073 Q1075 | S1023-N1034 WeakPolarHBondContact CA-O 3.25Å; L1024-N1034 PolarHBondContact N-O 3.03Å; Y1032-N1034 WeakPolarHBondContact CE2-O 3.24Å; Y1032-N1034 VanDerWaalsContact CZ-C 3.48Å; N1034-L1073 VanDerWaalsContact CB-O 3.24Å; N1034-L1073 WeakPolarHBondContact CB-O 3.44Å; N1034-L1073 PolarHBondContact ND2-O 3.45Å; N1034-Q1075 PolarHBondContact ND2-O 3.23Å |
| 1035 | A | 90.3 | Very high | 90.6 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 139.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1022 Y1032 | I1022-A1035 CarbonylContact O-C 3.54Å; I1022-A1035 WeakPolarHBondContact O-CA 3.44Å; I1022-A1035 WeakPolarHBondContact O-CB 3.27Å; Y1032-A1035 HydrophobicContact CE2-CB 4.01Å; Y1032-A1035 WeakPolarHBondContact OH-CB 3.41Å; Y1032-A1035 PolarHBondContact OH-N 3.22Å |
| 1036 | Y | 91.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 155.1 | -173.7 | 57.4 | -73.2 | 0 | 0 | 0 | 110.7 | T1021 I1022 L1024 P1038 T1067 L1077 | T1021-Y1036 WeakPolarHBondContact CA-O 3.47Å; I1022-Y1036 HydrophobicContact CB-CD1 4.47Å; I1022-Y1036 HydrophobicContact CB-CE1 4.01Å; I1022-Y1036 HydrophobicContact CB-CE2 4.31Å; I1022-Y1036 HydrophobicContact CD1-CE2 4.31Å; I1022-Y1036 HydrophobicContact CG2-CE1 3.87Å; I1022-Y1036 PolarHBondContact N-O 3.39Å; I1022-Y1036 PolarHBondContact O-N 2.88Å; L1024-Y1036 HydrophobicContact CD1-CE1 4.24Å; L1024-Y1036 HydrophobicContact CG-CE1 4.24Å; Y1036-P1038 VanDerWaalsContact C-CD 3.49Å; Y1036-P1038 HydrophobicContact CD2-CB 4.2Å; Y1036-P1038 HydrophobicContact CD2-CG 3.86Å; Y1036-P1038 HydrophobicContact CE2-CB 4.32Å; Y1036-P1038 HydrophobicContact CE2-CG 3.83Å; Y1036-P1038 WeakPolarHBondContact O-CD 3.28Å; Y1036-T1067 HydrophobicContact CE2-CG2 3.95Å; Y1036-T1067 PolarHBondContact OH-OG1 3.01Å; Y1036-L1077 HydrophobicContact CE1-CD1 3.95Å |
| 1037 | R | 92.8 | Very high | 91.1 | Very high | 111 Ų | 111 | 44.8 Ų | 44.8 | 42% | 0.419 | 23% | 0.225 | S | C | . | . | trans | -112.7 | 80.6 | 179.3 | -66 | -178.8 | -177.9 | 132.1 | 4.1 | 110.3 | D646 S994 T1021 H1039 | D646-R1037 IonicContact OD1-NH1 3.32Å; D646-R1037 PolarHBondContact OD1-NH1 2.9Å; S994-R1037 PolarHBondContact OG-NH2 2.93Å; T1021-R1037 HydrophobicContact CG2-CG 3.57Å; R1037-H1039 VanDerWaalsContact C-N 3.31Å | ||
| 1038 | P | 91.1 | Very high | 91.5 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | trans | -78.2 | -20.9 | 176.4 | 33.1 | -34.1 | 0 | 0 | 0 | 112.2 | I1022 Y1036 I1065 C1079 | I1022-P1038 HydrophobicContact CD1-CG 3.64Å; I1022-P1038 HydrophobicContact CG1-CG 4.09Å; Y1036-P1038 VanDerWaalsContact C-CD 3.49Å; Y1036-P1038 HydrophobicContact CD2-CB 4.2Å; Y1036-P1038 HydrophobicContact CD2-CG 3.86Å; Y1036-P1038 HydrophobicContact CE2-CB 4.32Å; Y1036-P1038 HydrophobicContact CE2-CG 3.83Å; Y1036-P1038 WeakPolarHBondContact O-CD 3.28Å; P1038-I1065 HydrophobicContact CB-CD1 4.05Å; P1038-I1065 HydrophobicContact CB-CG2 4.36Å; P1038-I1065 WeakPolarHBondContact O-CD1 3.26Å; P1038-C1079 HydrophobicContact CB-CB 4.41Å | ||
| 1039 | H | 94.8 | Very high | 92 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -106.6 | 166.3 | 179.1 | -72.8 | -67.8 | 0 | 0 | 0 | 111.3 | S1020 R1037 V1043 S1057 S1059 D1061 R1063 | S1020-H1039 WeakPolarHBondContact CB-O 3.48Å; S1020-H1039 PolarHBondContact OG-O 3.39Å; R1037-H1039 VanDerWaalsContact C-N 3.31Å; H1039-V1043 HydrophobicContact CB-CG2 4.15Å; H1039-S1057 WeakPolarHBondContact NE2-CB 3.36Å; H1039-S1057 PolarHBondContact NE2-OG 3.23Å; H1039-S1059 VanDerWaalsContact ND1-CB 3.34Å; H1039-S1059 WeakPolarHBondContact ND1-CB 3.22Å; H1039-D1061 VanDerWaalsContact CA-OD2 3.23Å; H1039-D1061 WeakPolarHBondContact CA-OD2 2.86Å; H1039-D1061 WeakPolarHBondContact CB-OD2 3.38Å; H1039-D1061 IonicContact CE1-OD1 2.85Å; H1039-D1061 IonicContact CG-OD2 3.82Å; H1039-D1061 VanDerWaalsContact ND1-CG 3.3Å; H1039-D1061 IonicContact ND1-OD1 3.48Å; H1039-D1061 PolarHBondContact ND1-OD1 3.22Å; H1039-D1061 VanDerWaalsContact ND1-OD1 3.14Å; H1039-D1061 IonicContact ND1-OD2 3.16Å; H1039-D1061 PolarHBondContact ND1-OD2 3.39Å; H1039-R1063 PolarHBondContact CE1-O 2.98Å |
| 1040 | S | 94.6 | Very high | 91.7 | Very high | 91 Ų | 91 | 38.3 Ų | 38.3 | 64% | 0.636 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -113 | 17.4 | 174.4 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | D1061 | S1040-D1061 PolarHBondContact N-OD2 3.19Å; S1040-D1061 WeakPolarHBondContact OG-CB 3.21Å |
| 1041 | N | 95.9 | Very high | 91 | Very high | 67 Ų | 67 | 40 Ų | 40 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -159.3 | 176.2 | 178.3 | -137.9 | -79.7 | 0 | 0 | 0 | 111.6 | S1020 V1043 S1059 Y1060 D1061 | S1020-N1041 WeakPolarHBondContact CA-O 3.37Å; S1020-N1041 VanDerWaalsContact CB-O 3.31Å; S1020-N1041 WeakPolarHBondContact CB-O 3.33Å; N1041-V1043 PolarHBondContact O-N 3.3Å; N1041-S1059 PolarHBondContact O-OG 3.12Å; N1041-Y1060 VanDerWaalsContact OD1-CB 3.25Å; N1041-Y1060 WeakPolarHBondContact OD1-CB 3.41Å; N1041-D1061 HydrophobicContact CB-CB 4.03Å |
| 1042 | E | 95.8 | Very high | 90.2 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | trans | -43.1 | 120.8 | 179.7 | 174.8 | -178 | 177 | 0 | 0 | 112.7 | A1002 H1017 E1018 R1044 S1059 Y1060 | A1002-E1042 HydrophobicContact CB-CG 3.82Å; H1017-E1042 WeakPolarHBondContact O-CA 3.45Å; E1018-E1042 HydrophobicContact CB-CG 4.49Å; E1018-E1042 HydrophobicContact CG-CG 4.02Å; E1018-E1042 WeakPolarHBondContact O-CA 3.44Å; E1018-E1042 PolarHBondContact O-N 3.05Å; E1042-R1044 HydrophobicContact CG-CG 4.27Å; E1042-R1044 PolarHBondContact O-N 3.31Å; E1042-R1044 WeakPolarHBondContact OE1-CD 3.21Å; E1042-R1044 IonicContact OE1-CZ 2.7Å; E1042-R1044 IonicContact OE1-NE 3.63Å; E1042-R1044 IonicContact OE1-NH1 3.85Å; E1042-R1044 PolarHBondContact OE1-NH1 3.49Å; E1042-S1059 VanDerWaalsContact O-CA 3.25Å; E1042-S1059 WeakPolarHBondContact O-CA 3.3Å; E1042-S1059 WeakPolarHBondContact O-CB 3.31Å; E1042-S1059 PolarHBondContact O-OG 3.43Å; E1042-S1059 VanDerWaalsContact O-OG 3.04Å; E1042-Y1060 HydrophobicContact CB-CD2 3.85Å; E1042-Y1060 HydrophobicContact CB-CE2 4.35Å; E1042-Y1060 HydrophobicContact CB-CG 4.33Å; E1042-Y1060 HydrophobicContact CG-CD2 4.47Å; E1042-Y1060 PolarHBondContact O-N 3.46Å; E1042-Y1060 VanDerWaalsContact O-N 3.11Å; E1042-Y1060 WeakPolarHBondContact OE2-CD2 3.48Å; E1042-Y1060 WeakPolarHBondContact OE2-CE2 3.4Å | ||
| 1043 | V | 97.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -83.2 | 85.1 | 178.9 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | H1017 I1022 H1039 N1041 S1045 V1046 A1058 | H1017-V1043 PolarHBondContact O-N 3.46Å; I1022-V1043 HydrophobicContact CD1-CG1 4.24Å; I1022-V1043 HydrophobicContact CG1-CG1 4.12Å; I1022-V1043 HydrophobicContact CG1-CG2 4.19Å; H1039-V1043 HydrophobicContact CB-CG2 4.15Å; N1041-V1043 PolarHBondContact O-N 3.3Å; V1043-S1045 PolarHBondContact O-N 3.19Å; V1043-V1046 HydrophobicContact CG1-CG1 3.79Å; V1043-A1058 CarbonylContact C-O 3.58Å | ||
| 1044 | R | 96.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 9% | 0.087 | 19% | 0.193 | C | C | . | . | trans | -63.3 | -20.8 | -174.4 | -85 | -46.7 | -42.1 | 142.2 | 26.3 | 116.3 | A1002 E1042 A1058 Y1060 | A1002-R1044 VanDerWaalsContact O-CZ 3.28Å; A1002-R1044 PolarHBondContact O-NH1 3.46Å; A1002-R1044 VanDerWaalsContact O-NH1 3.09Å; A1002-R1044 PolarHBondContact O-NH2 2.56Å; E1042-R1044 HydrophobicContact CG-CG 4.27Å; E1042-R1044 PolarHBondContact O-N 3.31Å; E1042-R1044 WeakPolarHBondContact OE1-CD 3.21Å; E1042-R1044 IonicContact OE1-CZ 2.7Å; E1042-R1044 IonicContact OE1-NE 3.63Å; E1042-R1044 IonicContact OE1-NH1 3.85Å; E1042-R1044 PolarHBondContact OE1-NH1 3.49Å; R1044-A1058 PolarHBondContact N-O 3.32Å; R1044-Y1060 HydrophobicContact CG-CD1 3.58Å; R1044-Y1060 HydrophobicContact CG-CE1 3.27Å; R1044-Y1060 HydrophobicContact CG-CE2 4.48Å; R1044-Y1060 HydrophobicContact CG-CG 4.34Å | ||
| 1045 | S | 97 | Very high | 89.8 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 125.9 | -174.5 | -170 | 0 | 0 | 0 | 0 | 109.9 | V1043 S1057 A1058 A1092 | V1043-S1045 PolarHBondContact O-N 3.19Å; S1045-S1057 CarbonylContact O-C 3.49Å; S1045-S1057 VanDerWaalsContact O-CA 3.29Å; S1045-S1057 WeakPolarHBondContact O-CA 3.22Å; S1045-A1058 PolarHBondContact N-O 3.25Å; S1045-A1058 PolarHBondContact O-N 3.15Å; S1045-A1092 PolarHBondContact OG-N 2.57Å; S1045-A1092 VanDerWaalsContact OG-N 3.1Å; S1045-A1092 PolarHBondContact OG-O 3.48Å; S1045-A1092 VanDerWaalsContact OG-O 3.14Å |
| 1046 | V | 96.7 | Very high | 90 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.3 | 163.2 | -71.6 | 0 | 0 | 0 | 0 | 108.5 | S1003 T1005 I1022 V1043 L1055 L1056 | S1003-V1046 PolarHBondContact OG-N 3.33Å; T1005-V1046 WeakPolarHBondContact CB-O 3.4Å; T1005-V1046 HydrophobicContact CG2-CB 4.15Å; T1005-V1046 HydrophobicContact CG2-CG2 3.87Å; T1005-V1046 WeakPolarHBondContact CG2-O 3.25Å; I1022-V1046 HydrophobicContact CD1-CG1 4.06Å; I1022-V1046 HydrophobicContact CG1-CG1 4.29Å; I1022-V1046 HydrophobicContact CG2-CG1 4.42Å; V1043-V1046 HydrophobicContact CG1-CG1 3.79Å; V1046-L1055 HydrophobicContact CB-CD1 4.35Å; V1046-L1055 HydrophobicContact CB-CD2 4.35Å; V1046-L1055 HydrophobicContact CG1-CD2 4.24Å; V1046-L1056 CarbonylContact C-O 3.6Å; V1046-L1056 WeakPolarHBondContact CA-O 3.36Å |
| 1047 | R | 95 | Very high | 90.3 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 126.3 | 178.5 | -66.4 | -62.5 | 166.1 | -176.5 | -7.1 | 111.9 | L1056 W1094 | R1047-L1056 PolarHBondContact N-O 3.42Å; R1047-L1056 PolarHBondContact O-N 2.89Å; R1047-W1094 PolarHBondContact O-NE1 3.19Å |
| 1048 | F | 91.5 | Very high | 90.5 | Very high | 17 Ų | 17 | 28.4 Ų | 28.4 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 144.8 | 168.5 | -74.7 | -76.5 | 0 | 0 | 0 | 111.2 | T1005 V1006 E1007 L1012 A1014 A1052 L1055 F1069 | T1005-F1048 HydrophobicContact CG2-CD2 3.66Å; T1005-F1048 HydrophobicContact CG2-CE2 3.88Å; V1006-F1048 VanDerWaalsContact C-CD2 3.41Å; V1006-F1048 WeakPolarHBondContact O-CD2 3.47Å; E1007-F1048 HydrophobicContact CB-CD2 4.25Å; E1007-F1048 HydrophobicContact CB-CE2 4.09Å; E1007-F1048 HydrophobicContact CB-CZ 4.23Å; L1012-F1048 HydrophobicContact CB-CZ 4.37Å; L1012-F1048 HydrophobicContact CD2-CE1 4.06Å; L1012-F1048 HydrophobicContact CD2-CZ 3.89Å; L1012-F1048 HydrophobicContact CG-CZ 3.96Å; A1014-F1048 HydrophobicContact CB-CE2 3.9Å; A1014-F1048 HydrophobicContact CB-CZ 3.91Å; F1048-A1052 WeakPolarHBondContact CD1-O 3.47Å; F1048-L1055 HydrophobicContact CD1-CD1 4.1Å; F1048-L1055 HydrophobicContact CD2-CD1 4.25Å; F1048-L1055 HydrophobicContact CE1-CD1 4.17Å; F1048-L1055 HydrophobicContact CE2-CD1 4.3Å; F1048-L1055 HydrophobicContact CG-CD1 4.15Å; F1048-L1055 HydrophobicContact CZ-CD1 4.26Å; F1048-F1069 AromaticContact CE1-CD2 3.88Å; F1048-F1069 HydrophobicContact CE1-CD2 3.88Å; F1048-F1069 AromaticContact CE1-CE2 3.49Å; F1048-F1069 HydrophobicContact CE1-CE2 3.49Å; F1048-F1069 VanDerWaalsContact CE1-CE2 3.49Å; F1048-F1069 HydrophobicContact CE1-CZ 4.35Å; F1048-F1069 AromaticContact CZ-CE2 3.94Å; F1048-F1069 HydrophobicContact CZ-CE2 3.94Å |
| 1049 | S | 87.7 | Confident | 90.8 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | trans | -65.5 | 158 | 166.7 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | T1051 A1052 Y1054 | S1049-T1051 PolarHBondContact O-N 3.01Å; S1049-T1051 PolarHBondContact OG-OG1 2.85Å; S1049-A1052 PolarHBondContact O-N 3.23Å; S1049-Y1054 PolarHBondContact N-O 3.02Å; S1049-Y1054 PolarHBondContact OG-N 3.48Å; S1049-Y1054 PolarHBondContact OG-O 3.44Å | ||
| 1050 | P | 73.6 | Confident | 91 | Very high | 64 Ų | 64 | 28.9 Ų | 28.9 | 42% | 0.416 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -17.2 | 174.2 | -25.4 | 34.9 | 0 | 0 | 0 | 114.4 | P1096 | P1050-P1096 VanDerWaalsContact CG-O 3.31Å; P1050-P1096 WeakPolarHBondContact CG-O 3.47Å |
| 1051 | T | 71.7 | Confident | 91.1 | Very high | 73 Ų | 73 | 25.6 Ų | 25.6 | 45% | 0.448 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 10.4 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 114 | S1049 Y1053 | S1049-T1051 PolarHBondContact O-N 3.01Å; S1049-T1051 PolarHBondContact OG-OG1 2.85Å; T1051-Y1053 WeakPolarHBondContact O-CD2 3.1Å; T1051-Y1053 WeakPolarHBondContact O-CE2 3.44Å; T1051-Y1053 PolarHBondContact O-N 3.15Å |
| 1052 | A | 72.1 | Confident | 91.1 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 62.6 | -39.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | E1007 F1048 S1049 Y1054 | E1007-A1052 HydrophobicContact CG-CB 3.68Å; F1048-A1052 WeakPolarHBondContact CD1-O 3.47Å; S1049-A1052 PolarHBondContact O-N 3.23Å; A1052-Y1054 PolarHBondContact O-N 3.16Å |
| 1053 | Y | 79.6 | Confident | 91.2 | Very high | 126 Ų | 126 | 29.9 Ų | 29.9 | 49% | 0.494 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -62.1 | -6.4 | -169.9 | -54.4 | -58.9 | 0 | 0 | 0 | 117.3 | T1051 F1069 H1070 | T1051-Y1053 WeakPolarHBondContact O-CD2 3.1Å; T1051-Y1053 WeakPolarHBondContact O-CE2 3.44Å; T1051-Y1053 PolarHBondContact O-N 3.15Å; Y1053-F1069 WeakPolarHBondContact O-CB 3.39Å; Y1053-F1069 PolarHBondContact O-N 3.05Å; Y1053-H1070 AromaticContact CD1-CE1 3.54Å; Y1053-H1070 AromaticContact CD1-ND1 3.81Å; Y1053-H1070 AromaticContact CD2-CE1 3.91Å; Y1053-H1070 AromaticContact CG-CE1 3.41Å; Y1053-H1070 VanDerWaalsContact CG-CE1 3.41Å |
| 1054 | Y | 87.6 | Confident | 91.2 | Very high | 27 Ų | 27 | 29.9 Ų | 29.9 | 11% | 0.106 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.9 | -176.4 | -48.6 | -71.3 | 0 | 0 | 0 | 111.2 | S1049 A1052 L1066 T1067 D1068 | S1049-Y1054 PolarHBondContact N-O 3.02Å; S1049-Y1054 PolarHBondContact OG-N 3.48Å; S1049-Y1054 PolarHBondContact OG-O 3.44Å; A1052-Y1054 PolarHBondContact O-N 3.16Å; Y1054-L1066 HydrophobicContact CD1-CD2 4.12Å; Y1054-L1066 HydrophobicContact CG-CD1 4.45Å; Y1054-T1067 WeakPolarHBondContact CA-O 3.37Å; Y1054-D1068 HydrophobicContact CD1-CB 4.05Å; Y1054-D1068 HydrophobicContact CE1-CB 4.18Å |
| 1055 | L | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.4 | 170.9 | -169.3 | 78.6 | 0 | 0 | 0 | 110.1 | T1005 A1014 I1022 V1046 F1048 L1066 T1067 F1069 | T1005-L1055 HydrophobicContact CG2-CD1 3.91Å; A1014-L1055 HydrophobicContact CB-CD1 3.9Å; A1014-L1055 HydrophobicContact CB-CD2 4.19Å; I1022-L1055 HydrophobicContact CD1-CD2 4.34Å; I1022-L1055 HydrophobicContact CG2-CD2 3.86Å; V1046-L1055 HydrophobicContact CB-CD1 4.35Å; V1046-L1055 HydrophobicContact CB-CD2 4.35Å; V1046-L1055 HydrophobicContact CG1-CD2 4.24Å; F1048-L1055 HydrophobicContact CD1-CD1 4.1Å; F1048-L1055 HydrophobicContact CD2-CD1 4.25Å; F1048-L1055 HydrophobicContact CE1-CD1 4.17Å; F1048-L1055 HydrophobicContact CE2-CD1 4.3Å; F1048-L1055 HydrophobicContact CG-CD1 4.15Å; F1048-L1055 HydrophobicContact CZ-CD1 4.26Å; L1055-L1066 CarbonylContact O-C 3.57Å; L1055-L1066 WeakPolarHBondContact O-CA 2.93Å; L1055-T1067 PolarHBondContact N-O 3.21Å; L1055-T1067 PolarHBondContact O-N 2.76Å; L1055-F1069 HydrophobicContact CB-CD1 4.41Å; L1055-F1069 HydrophobicContact CB-CE1 3.62Å; L1055-F1069 HydrophobicContact CB-CE2 4.42Å; L1055-F1069 HydrophobicContact CB-CZ 3.63Å; L1055-F1069 HydrophobicContact CD2-CE1 4.36Å; L1055-F1069 HydrophobicContact CD2-CZ 3.94Å; L1055-F1069 HydrophobicContact CG-CZ 4.24Å |
| 1056 | L | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.9 | 170.8 | -171.7 | 72.2 | 0 | 0 | 0 | 109.3 | V1046 R1047 V1064 L1082 A1092 W1094 F1101 | V1046-L1056 CarbonylContact C-O 3.6Å; V1046-L1056 WeakPolarHBondContact CA-O 3.36Å; R1047-L1056 PolarHBondContact N-O 3.42Å; R1047-L1056 PolarHBondContact O-N 2.89Å; L1056-V1064 HydrophobicContact CD1-CG1 3.51Å; L1056-V1064 HydrophobicContact CG-CG1 4.11Å; L1056-L1082 HydrophobicContact CD1-CD1 4.01Å; L1056-A1092 HydrophobicContact CD2-CB 3.94Å; L1056-A1092 HydrophobicContact CG-CB 4.39Å; L1056-W1094 HydrophobicContact CB-CZ2 3.73Å; L1056-W1094 VanDerWaalsContact CB-NE1 3.34Å; L1056-W1094 HydrophobicContact CD1-CH2 4.34Å; L1056-W1094 HydrophobicContact CD1-CZ2 4.06Å; L1056-W1094 HydrophobicContact CD2-CD2 4.17Å; L1056-W1094 HydrophobicContact CD2-CG 4.47Å; L1056-W1094 HydrophobicContact CD2-CZ2 4.3Å; L1056-W1094 HydrophobicContact CG-CZ2 4.26Å; L1056-F1101 HydrophobicContact CD1-CD1 4.47Å; L1056-F1101 HydrophobicContact CD2-CB 3.88Å; L1056-F1101 HydrophobicContact CD2-CD1 4.46Å; L1056-F1101 HydrophobicContact CD2-CD2 4.24Å; L1056-F1101 HydrophobicContact CD2-CG 3.97Å |
| 1057 | S | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 147.2 | 175.6 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | I1022 H1039 S1045 V1064 I1065 | I1022-S1057 VanDerWaalsContact CD1-CB 3.45Å; H1039-S1057 WeakPolarHBondContact NE2-CB 3.36Å; H1039-S1057 PolarHBondContact NE2-OG 3.23Å; S1045-S1057 CarbonylContact O-C 3.49Å; S1045-S1057 VanDerWaalsContact O-CA 3.29Å; S1045-S1057 WeakPolarHBondContact O-CA 3.22Å; S1057-V1064 WeakPolarHBondContact O-CA 3.4Å; S1057-I1065 PolarHBondContact N-O 2.91Å; S1057-I1065 PolarHBondContact O-N 3.01Å; S1057-I1065 PolarHBondContact OG-O 3.46Å |
| 1058 | A | 97.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1043 R1044 S1045 R1063 V1064 I1089 A1092 | V1043-A1058 CarbonylContact C-O 3.58Å; R1044-A1058 PolarHBondContact N-O 3.32Å; S1045-A1058 PolarHBondContact N-O 3.25Å; S1045-A1058 PolarHBondContact O-N 3.15Å; A1058-R1063 WeakPolarHBondContact CA-O 3.43Å; A1058-V1064 HydrophobicContact CB-CG2 4.44Å; A1058-I1089 HydrophobicContact CB-CB 4.2Å; A1058-I1089 HydrophobicContact CB-CG2 3.73Å; A1058-A1092 HydrophobicContact CB-CB 3.8Å |
| 1059 | S | 97.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -137.8 | 165.1 | -166.7 | 168.7 | 0 | 0 | 0 | 0 | 113.7 | H1039 N1041 E1042 D1061 K1062 R1063 I1089 | H1039-S1059 VanDerWaalsContact ND1-CB 3.34Å; H1039-S1059 WeakPolarHBondContact ND1-CB 3.22Å; N1041-S1059 PolarHBondContact O-OG 3.12Å; E1042-S1059 VanDerWaalsContact O-CA 3.25Å; E1042-S1059 WeakPolarHBondContact O-CA 3.3Å; E1042-S1059 WeakPolarHBondContact O-CB 3.31Å; E1042-S1059 PolarHBondContact O-OG 3.43Å; E1042-S1059 VanDerWaalsContact O-OG 3.04Å; S1059-D1061 VanDerWaalsContact CB-OD1 3.3Å; S1059-D1061 WeakPolarHBondContact CB-OD1 3.41Å; S1059-D1061 PolarHBondContact O-N 3.24Å; S1059-D1061 PolarHBondContact OG-N 3.18Å; S1059-K1062 PolarHBondContact O-N 2.82Å; S1059-K1062 VanDerWaalsContact O-N 3.15Å; S1059-R1063 PolarHBondContact N-O 2.98Å; S1059-I1089 PolarHBondContact O-N 2.86Å | ||
| 1060 | Y | 97.9 | Very high | 89.6 | Confident | 46 Ų | 46 | 31.2 Ų | 31.2 | 18% | 0.18 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -6.2 | 164.4 | -76.5 | -2.7 | 0 | 0 | 0 | 114.4 | N1041 E1042 R1044 K1062 K1088 I1089 I1090 | N1041-Y1060 VanDerWaalsContact OD1-CB 3.25Å; N1041-Y1060 WeakPolarHBondContact OD1-CB 3.41Å; E1042-Y1060 HydrophobicContact CB-CD2 3.85Å; E1042-Y1060 HydrophobicContact CB-CE2 4.35Å; E1042-Y1060 HydrophobicContact CB-CG 4.33Å; E1042-Y1060 HydrophobicContact CG-CD2 4.47Å; E1042-Y1060 PolarHBondContact O-N 3.46Å; E1042-Y1060 VanDerWaalsContact O-N 3.11Å; E1042-Y1060 WeakPolarHBondContact OE2-CD2 3.48Å; E1042-Y1060 WeakPolarHBondContact OE2-CE2 3.4Å; R1044-Y1060 HydrophobicContact CG-CD1 3.58Å; R1044-Y1060 HydrophobicContact CG-CE1 3.27Å; R1044-Y1060 HydrophobicContact CG-CE2 4.48Å; R1044-Y1060 HydrophobicContact CG-CG 4.34Å; Y1060-K1062 PolarHBondContact O-N 2.83Å; Y1060-K1088 HydrophobicContact CD1-CB 3.53Å; Y1060-K1088 HydrophobicContact CD1-CD 3.75Å; Y1060-K1088 HydrophobicContact CD1-CG 3.83Å; Y1060-K1088 HydrophobicContact CD2-CD 3.85Å; Y1060-K1088 VanDerWaalsContact CD2-NZ 3.27Å; Y1060-K1088 HydrophobicContact CE1-CB 4.06Å; Y1060-K1088 HydrophobicContact CE1-CD 4.14Å; Y1060-K1088 HydrophobicContact CE2-CD 4.25Å; Y1060-K1088 HydrophobicContact CG-CB 4.08Å; Y1060-K1088 HydrophobicContact CG-CD 3.57Å; Y1060-K1088 HydrophobicContact CG-CG 3.84Å; Y1060-I1089 WeakPolarHBondContact CD1-O 3.4Å; Y1060-I1090 HydrophobicContact CE1-CG1 4.46Å |
| 1061 | D | 96.5 | Very high | 89.6 | Confident | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 0.7 | 166.5 | 77.3 | -6.8 | 0 | 0 | 0 | 113.8 | H1039 S1040 N1041 S1059 R1063 | H1039-D1061 VanDerWaalsContact CA-OD2 3.23Å; H1039-D1061 WeakPolarHBondContact CA-OD2 2.86Å; H1039-D1061 WeakPolarHBondContact CB-OD2 3.38Å; H1039-D1061 IonicContact CE1-OD1 2.85Å; H1039-D1061 IonicContact CG-OD2 3.82Å; H1039-D1061 VanDerWaalsContact ND1-CG 3.3Å; H1039-D1061 IonicContact ND1-OD1 3.48Å; H1039-D1061 PolarHBondContact ND1-OD1 3.22Å; H1039-D1061 VanDerWaalsContact ND1-OD1 3.14Å; H1039-D1061 IonicContact ND1-OD2 3.16Å; H1039-D1061 PolarHBondContact ND1-OD2 3.39Å; S1040-D1061 PolarHBondContact N-OD2 3.19Å; S1040-D1061 WeakPolarHBondContact OG-CB 3.21Å; N1041-D1061 HydrophobicContact CB-CB 4.03Å; S1059-D1061 VanDerWaalsContact CB-OD1 3.3Å; S1059-D1061 WeakPolarHBondContact CB-OD1 3.41Å; S1059-D1061 PolarHBondContact O-N 3.24Å; S1059-D1061 PolarHBondContact OG-N 3.18Å; D1061-R1063 VanDerWaalsContact C-N 3.31Å; D1061-R1063 PolarHBondContact O-N 3.24Å; D1061-R1063 WeakPolarHBondContact OD1-CB 3.25Å; D1061-R1063 PolarHBondContact OD1-N 2.81Å |
| 1062 | K | 97.4 | Very high | 90.1 | Very high | 79 Ų | 79 | 30.8 Ų | 30.8 | 34% | 0.343 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 75 | 5.9 | 179.8 | -39.8 | -179.3 | -178.6 | -170.9 | 0 | 115.3 | S1059 Y1060 E1084 H1085 T1086 I1089 | S1059-K1062 PolarHBondContact O-N 2.82Å; S1059-K1062 VanDerWaalsContact O-N 3.15Å; Y1060-K1062 PolarHBondContact O-N 2.83Å; K1062-E1084 CarbonylContact O-C 3.54Å; K1062-E1084 WeakPolarHBondContact O-CA 3.3Å; K1062-H1085 WeakPolarHBondContact CB-O 3.25Å; K1062-H1085 PolarHBondContact O-N 3.04Å; K1062-T1086 WeakPolarHBondContact CE-O 3.16Å; K1062-T1086 PolarHBondContact NZ-O 3.49Å; K1062-I1089 WeakPolarHBondContact O-CD1 3.42Å |
| 1063 | R | 96.8 | Very high | 90.7 | Very high | 102 Ų | 102 | 32.4 Ų | 32.4 | 39% | 0.385 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 151 | -176.1 | -61 | 178.2 | 168.2 | 174.3 | -5.3 | 112.3 | H1039 A1058 S1059 D1061 I1065 Q1081 E1084 | H1039-R1063 PolarHBondContact CE1-O 2.98Å; A1058-R1063 WeakPolarHBondContact CA-O 3.43Å; S1059-R1063 PolarHBondContact N-O 2.98Å; D1061-R1063 VanDerWaalsContact C-N 3.31Å; D1061-R1063 PolarHBondContact O-N 3.24Å; D1061-R1063 WeakPolarHBondContact OD1-CB 3.25Å; D1061-R1063 PolarHBondContact OD1-N 2.81Å; R1063-I1065 HydrophobicContact CB-CG1 4.46Å; R1063-Q1081 HydrophobicContact CB-CG 4.34Å; R1063-Q1081 HydrophobicContact CG-CG 4.47Å; R1063-E1084 HydrophobicContact CG-CG 4.47Å |
| 1064 | V | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127 | 161.9 | -171.9 | 0 | 0 | 0 | 0 | 107.9 | L1056 S1057 A1058 Q1081 L1082 A1083 I1089 F1101 T1103 | L1056-V1064 HydrophobicContact CD1-CG1 3.51Å; L1056-V1064 HydrophobicContact CG-CG1 4.11Å; S1057-V1064 WeakPolarHBondContact O-CA 3.4Å; A1058-V1064 HydrophobicContact CB-CG2 4.44Å; V1064-Q1081 CarbonylContact O-C 3.46Å; V1064-Q1081 WeakPolarHBondContact O-CA 3.42Å; V1064-L1082 PolarHBondContact O-N 3.27Å; V1064-A1083 HydrophobicContact CB-CB 4.03Å; V1064-A1083 HydrophobicContact CG2-CB 3.92Å; V1064-A1083 PolarHBondContact N-O 3.32Å; V1064-I1089 HydrophobicContact CG2-CD1 3.47Å; V1064-I1089 VanDerWaalsContact CG2-CD1 3.47Å; V1064-F1101 HydrophobicContact CB-CE2 4.45Å; V1064-F1101 HydrophobicContact CG1-CE2 3.9Å; V1064-F1101 HydrophobicContact CG1-CZ 4.13Å; V1064-F1101 HydrophobicContact CG2-CE2 4.33Å; V1064-T1103 HydrophobicContact CG2-CG2 3.62Å |
| 1065 | I | 95.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.2 | 179.5 | -64.5 | 176 | 0 | 0 | 0 | 108.8 | P1038 S1057 R1063 C1079 V1080 Q1081 | P1038-I1065 HydrophobicContact CB-CD1 4.05Å; P1038-I1065 HydrophobicContact CB-CG2 4.36Å; P1038-I1065 WeakPolarHBondContact O-CD1 3.26Å; S1057-I1065 PolarHBondContact N-O 2.91Å; S1057-I1065 PolarHBondContact O-N 3.01Å; S1057-I1065 PolarHBondContact OG-O 3.46Å; R1063-I1065 HydrophobicContact CB-CG1 4.46Å; I1065-C1079 HydrophobicContact CG2-CB 3.88Å; I1065-V1080 CarbonylContact C-O 3.57Å; I1065-V1080 WeakPolarHBondContact CA-O 3.29Å; I1065-Q1081 HydrophobicContact CG1-CB 4.43Å |
| 1066 | L | 93.5 | Very high | 89.9 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.2 | 164.9 | 175.4 | 152 | 0 | 0 | 0 | 108.5 | Y1054 L1055 C1079 V1080 L1082 W1094 | Y1054-L1066 HydrophobicContact CD1-CD2 4.12Å; Y1054-L1066 HydrophobicContact CG-CD1 4.45Å; L1055-L1066 CarbonylContact O-C 3.57Å; L1055-L1066 WeakPolarHBondContact O-CA 2.93Å; L1066-C1079 CarbonylContact O-C 3.51Å; L1066-C1079 WeakPolarHBondContact O-CA 3.39Å; L1066-V1080 PolarHBondContact N-O 2.96Å; L1066-V1080 PolarHBondContact O-N 3.5Å; L1066-L1082 HydrophobicContact CB-CD1 3.67Å; L1066-L1082 HydrophobicContact CB-CD2 4.06Å; L1066-L1082 HydrophobicContact CB-CG 3.82Å; L1066-L1082 HydrophobicContact CD1-CD1 4.07Å; L1066-W1094 HydrophobicContact CD1-CH2 3.98Å; L1066-W1094 HydrophobicContact CD1-CZ2 4.16Å |
| 1067 | T | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129 | 170.2 | -48.4 | 0 | 0 | 0 | 0 | 108.5 | Y1036 Y1054 L1055 F1069 L1077 P1078 | Y1036-T1067 HydrophobicContact CE2-CG2 3.95Å; Y1036-T1067 PolarHBondContact OH-OG1 3.01Å; Y1054-T1067 WeakPolarHBondContact CA-O 3.37Å; L1055-T1067 PolarHBondContact N-O 3.21Å; L1055-T1067 PolarHBondContact O-N 2.76Å; T1067-F1069 HydrophobicContact CG2-CD1 4.01Å; T1067-F1069 HydrophobicContact CG2-CE1 3.76Å; T1067-L1077 HydrophobicContact CG2-CB 3.45Å; T1067-L1077 VanDerWaalsContact CG2-CB 3.45Å; T1067-L1077 HydrophobicContact CG2-CD1 3.95Å; T1067-L1077 HydrophobicContact CG2-CG 4.33Å; T1067-P1078 WeakPolarHBondContact CA-O 3.3Å |
| 1068 | D | 87.5 | Confident | 89 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 129.8 | 173.5 | -178.8 | 4.6 | 0 | 0 | 0 | 109.8 | Y1054 H1070 P1078 | Y1054-D1068 HydrophobicContact CD1-CB 4.05Å; Y1054-D1068 HydrophobicContact CE1-CB 4.18Å; D1068-H1070 VanDerWaalsContact OD1-CB 3.28Å; D1068-H1070 WeakPolarHBondContact OD1-CB 3.31Å; D1068-H1070 IonicContact OD1-CD2 3.69Å; D1068-H1070 PolarHBondContact OD1-CD2 2.86Å; D1068-H1070 VanDerWaalsContact OD1-CD2 3.28Å; D1068-H1070 IonicContact OD1-CG 2.75Å; D1068-H1070 VanDerWaalsContact OD1-CG 3.3Å; D1068-H1070 PolarHBondContact OD1-N 3.38Å; D1068-H1070 IonicContact OD2-CD2 3.63Å; D1068-P1078 HydrophobicContact CB-CG 4.06Å; D1068-P1078 PolarHBondContact N-O 3.24Å; D1068-P1078 VanDerWaalsContact N-O 3.08Å |
| 1069 | F | 87.2 | Confident | 88.5 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | trans | -100.4 | 7.9 | -177.2 | -77.2 | 23.2 | 0 | 0 | 0 | 111.8 | L1012 L1024 F1048 Y1053 L1055 T1067 G1071 L1073 L1077 | L1012-F1069 HydrophobicContact CD2-CD2 3.7Å; L1012-F1069 HydrophobicContact CD2-CE2 3.68Å; L1024-F1069 HydrophobicContact CD1-CE2 4.18Å; L1024-F1069 HydrophobicContact CD1-CZ 3.98Å; L1024-F1069 HydrophobicContact CD2-CE2 3.91Å; L1024-F1069 HydrophobicContact CD2-CZ 3.61Å; L1024-F1069 HydrophobicContact CG-CZ 4.48Å; F1048-F1069 AromaticContact CE1-CD2 3.88Å; F1048-F1069 HydrophobicContact CE1-CD2 3.88Å; F1048-F1069 AromaticContact CE1-CE2 3.49Å; F1048-F1069 HydrophobicContact CE1-CE2 3.49Å; F1048-F1069 VanDerWaalsContact CE1-CE2 3.49Å; F1048-F1069 HydrophobicContact CE1-CZ 4.35Å; F1048-F1069 AromaticContact CZ-CE2 3.94Å; F1048-F1069 HydrophobicContact CZ-CE2 3.94Å; Y1053-F1069 WeakPolarHBondContact O-CB 3.39Å; Y1053-F1069 PolarHBondContact O-N 3.05Å; L1055-F1069 HydrophobicContact CB-CD1 4.41Å; L1055-F1069 HydrophobicContact CB-CE1 3.62Å; L1055-F1069 HydrophobicContact CB-CE2 4.42Å; L1055-F1069 HydrophobicContact CB-CZ 3.63Å; L1055-F1069 HydrophobicContact CD2-CE1 4.36Å; L1055-F1069 HydrophobicContact CD2-CZ 3.94Å; L1055-F1069 HydrophobicContact CG-CZ 4.24Å; T1067-F1069 HydrophobicContact CG2-CD1 4.01Å; T1067-F1069 HydrophobicContact CG2-CE1 3.76Å; F1069-G1071 PolarHBondContact O-N 2.88Å; F1069-L1073 HydrophobicContact CB-CD2 3.9Å; F1069-L1073 HydrophobicContact CD2-CD2 4.15Å; F1069-L1073 HydrophobicContact CG-CD2 4.03Å; F1069-L1077 HydrophobicContact CD1-CD1 3.93Å; F1069-L1077 HydrophobicContact CE1-CD1 3.77Å; F1069-L1077 HydrophobicContact CZ-CD1 4.43Å | ||
| 1070 | H | 77.3 | Confident | 88.1 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | trans | -69.3 | 87.8 | 168.3 | -71.3 | -39 | 0 | 0 | 0 | 112.1 | R670 Y1053 D1068 | R670-H1070 PolarHBondContact NH1-NE2 3.29Å; Y1053-H1070 AromaticContact CD1-CE1 3.54Å; Y1053-H1070 AromaticContact CD1-ND1 3.81Å; Y1053-H1070 AromaticContact CD2-CE1 3.91Å; Y1053-H1070 AromaticContact CG-CE1 3.41Å; Y1053-H1070 VanDerWaalsContact CG-CE1 3.41Å; D1068-H1070 VanDerWaalsContact OD1-CB 3.28Å; D1068-H1070 WeakPolarHBondContact OD1-CB 3.31Å; D1068-H1070 IonicContact OD1-CD2 3.69Å; D1068-H1070 PolarHBondContact OD1-CD2 2.86Å; D1068-H1070 VanDerWaalsContact OD1-CD2 3.28Å; D1068-H1070 IonicContact OD1-CG 2.75Å; D1068-H1070 VanDerWaalsContact OD1-CG 3.3Å; D1068-H1070 PolarHBondContact OD1-N 3.38Å; D1068-H1070 IonicContact OD2-CD2 3.63Å | ||
| 1071 | G | 73 | Confident | 87.8 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 62% | 0.619 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 166.4 | -161.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1069 L1073 | F1069-G1071 PolarHBondContact O-N 2.88Å; G1071-L1073 PolarHBondContact O-N 2.8Å |
| 1072 | D | 81.4 | Confident | 87.6 | Confident | 68 Ų | 68 | 45.1 Ų | 45.1 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | trans | -75.8 | 112.4 | 165.4 | 171.4 | 5.1 | 0 | 0 | 0 | 108.9 | S1074 Q1075 | D1072-S1074 PolarHBondContact O-N 3.23Å; D1072-S1074 VanDerWaalsContact O-N 3.16Å; D1072-S1074 WeakPolarHBondContact OD1-CB 3.25Å; D1072-S1074 PolarHBondContact OD1-N 2.85Å; D1072-S1074 PolarHBondContact OD1-OG 2.87Å; D1072-S1074 PolarHBondContact OD2-OG 3.32Å; D1072-Q1075 HydrophobicContact CB-CG 3.84Å; D1072-Q1075 PolarHBondContact O-N 2.91Å; D1072-Q1075 VanDerWaalsContact O-N 3.1Å; D1072-Q1075 WeakPolarHBondContact OD2-CG 3.23Å; D1072-Q1075 PolarHBondContact OD2-NE2 3.03Å | ||
| 1073 | L | 85.7 | Confident | 87.4 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -10.9 | -177.1 | -62.2 | -179.4 | 0 | 0 | 0 | 114 | L1012 I1033 N1034 F1069 G1071 L1077 | L1012-L1073 HydrophobicContact CD1-CD1 4.43Å; L1012-L1073 HydrophobicContact CD2-CD1 4.05Å; I1033-L1073 HydrophobicContact CG2-CB 3.88Å; N1034-L1073 VanDerWaalsContact CB-O 3.24Å; N1034-L1073 WeakPolarHBondContact CB-O 3.44Å; N1034-L1073 PolarHBondContact ND2-O 3.45Å; F1069-L1073 HydrophobicContact CB-CD2 3.9Å; F1069-L1073 HydrophobicContact CD2-CD2 4.15Å; F1069-L1073 HydrophobicContact CG-CD2 4.03Å; G1071-L1073 PolarHBondContact O-N 2.8Å; L1073-L1077 HydrophobicContact CD2-CD2 4.18Å |
| 1074 | S | 81.8 | Confident | 87.3 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -15.5 | 173 | 72.9 | 0 | 0 | 0 | 0 | 113.6 | D1072 | D1072-S1074 PolarHBondContact O-N 3.23Å; D1072-S1074 VanDerWaalsContact O-N 3.16Å; D1072-S1074 WeakPolarHBondContact OD1-CB 3.25Å; D1072-S1074 PolarHBondContact OD1-N 2.85Å; D1072-S1074 PolarHBondContact OD1-OG 2.87Å; D1072-S1074 PolarHBondContact OD2-OG 3.32Å |
| 1075 | Q | 80.7 | Confident | 87.2 | Confident | 103 Ų | 103 | 41.8 Ų | 41.8 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -84 | 164.5 | 179.1 | -55.4 | -53.6 | -40.8 | 0 | 0 | 112.1 | N1034 D1072 L1077 | N1034-Q1075 PolarHBondContact ND2-O 3.23Å; D1072-Q1075 HydrophobicContact CB-CG 3.84Å; D1072-Q1075 PolarHBondContact O-N 2.91Å; D1072-Q1075 VanDerWaalsContact O-N 3.1Å; D1072-Q1075 WeakPolarHBondContact OD2-CG 3.23Å; D1072-Q1075 PolarHBondContact OD2-NE2 3.03Å; Q1075-L1077 PolarHBondContact O-N 3.3Å; Q1075-L1077 VanDerWaalsContact O-N 3.11Å |
| 1076 | P | 79.4 | Confident | 87.3 | Confident | 108 Ų | 108 | 46.6 Ų | 46.6 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | trans | -58.4 | 114 | 169.9 | -24.3 | 35.4 | 0 | 0 | 0 | 111.4 | ||||
| 1077 | L | 87 | Confident | 87.5 | Confident | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | trans | -77.8 | 140 | -172.1 | -67.3 | 177.3 | 0 | 0 | 0 | 113 | L1024 Y1036 T1067 F1069 L1073 Q1075 C1079 | L1024-L1077 HydrophobicContact CD1-CD1 3.72Å; Y1036-L1077 HydrophobicContact CE1-CD1 3.95Å; T1067-L1077 HydrophobicContact CG2-CB 3.45Å; T1067-L1077 VanDerWaalsContact CG2-CB 3.45Å; T1067-L1077 HydrophobicContact CG2-CD1 3.95Å; T1067-L1077 HydrophobicContact CG2-CG 4.33Å; F1069-L1077 HydrophobicContact CD1-CD1 3.93Å; F1069-L1077 HydrophobicContact CE1-CD1 3.77Å; F1069-L1077 HydrophobicContact CZ-CD1 4.43Å; L1073-L1077 HydrophobicContact CD2-CD2 4.18Å; Q1075-L1077 PolarHBondContact O-N 3.3Å; Q1075-L1077 VanDerWaalsContact O-N 3.11Å; L1077-C1079 PolarHBondContact O-N 3.1Å; L1077-C1079 PolarHBondContact O-SG 3.43Å | ||
| 1078 | P | 86.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | trans | -65.4 | 118.7 | 177.6 | 26.1 | -34.3 | 0 | 0 | 0 | 111.8 | L663 T1067 D1068 | L663-P1078 HydrophobicContact CD1-CB 4.15Å; T1067-P1078 WeakPolarHBondContact CA-O 3.3Å; D1068-P1078 HydrophobicContact CB-CG 4.06Å; D1068-P1078 PolarHBondContact N-O 3.24Å; D1068-P1078 VanDerWaalsContact N-O 3.08Å | ||
| 1079 | C | 88.4 | Confident | 88.2 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 37% | 0.372 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.5 | -176.4 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | P1038 I1065 L1066 L1077 | P1038-C1079 HydrophobicContact CB-CB 4.41Å; I1065-C1079 HydrophobicContact CG2-CB 3.88Å; L1066-C1079 CarbonylContact O-C 3.51Å; L1066-C1079 WeakPolarHBondContact O-CA 3.39Å; L1077-C1079 PolarHBondContact O-N 3.1Å; L1077-C1079 PolarHBondContact O-SG 3.43Å |
| 1080 | V | 88.8 | Confident | 88.7 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.5 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 111 | A660 L663 L664 I1065 L1066 L1082 | A660-V1080 HydrophobicContact CB-CG1 3.69Å; A660-V1080 HydrophobicContact CB-CG2 4.14Å; L663-V1080 HydrophobicContact CD1-CG2 3.68Å; L664-V1080 HydrophobicContact CD1-CG1 4.21Å; I1065-V1080 CarbonylContact C-O 3.57Å; I1065-V1080 WeakPolarHBondContact CA-O 3.29Å; L1066-V1080 PolarHBondContact N-O 2.96Å; L1066-V1080 PolarHBondContact O-N 3.5Å; V1080-L1082 HydrophobicContact CG1-CD2 4.11Å; V1080-L1082 PolarHBondContact O-N 2.98Å |
| 1081 | Q | 92 | Very high | 89.6 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 116.5 | 171.9 | -174.6 | -177.1 | -21.2 | 0 | 0 | 110.3 | R1063 V1064 I1065 A1083 E1084 | R1063-Q1081 HydrophobicContact CB-CG 4.34Å; R1063-Q1081 HydrophobicContact CG-CG 4.47Å; V1064-Q1081 CarbonylContact O-C 3.46Å; V1064-Q1081 WeakPolarHBondContact O-CA 3.42Å; I1065-Q1081 HydrophobicContact CG1-CB 4.43Å; Q1081-A1083 PolarHBondContact NE2-O 2.73Å; Q1081-E1084 PolarHBondContact NE2-OE2 3.08Å |
| 1082 | L | 91.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -40.7 | 179.9 | -58.6 | -169 | 0 | 0 | 0 | 112.7 | L664 Y760 L1056 V1064 L1066 V1080 F1101 | L664-L1082 HydrophobicContact CD1-CD2 4.4Å; L664-L1082 HydrophobicContact CD2-CD2 4.32Å; Y760-L1082 HydrophobicContact CD2-CB 4.05Å; Y760-L1082 HydrophobicContact CD2-CD1 3.96Å; Y760-L1082 HydrophobicContact CD2-CD2 3.88Å; Y760-L1082 HydrophobicContact CD2-CG 4.19Å; Y760-L1082 HydrophobicContact CE2-CD1 3.66Å; Y760-L1082 HydrophobicContact CE2-CD2 3.86Å; Y760-L1082 HydrophobicContact CE2-CG 4.25Å; L1056-L1082 HydrophobicContact CD1-CD1 4.01Å; V1064-L1082 PolarHBondContact O-N 3.27Å; L1066-L1082 HydrophobicContact CB-CD1 3.67Å; L1066-L1082 HydrophobicContact CB-CD2 4.06Å; L1066-L1082 HydrophobicContact CB-CG 3.82Å; L1066-L1082 HydrophobicContact CD1-CD1 4.07Å; V1080-L1082 HydrophobicContact CG1-CD2 4.11Å; V1080-L1082 PolarHBondContact O-N 2.98Å; L1082-F1101 HydrophobicContact CB-CE1 4.29Å; L1082-F1101 HydrophobicContact CB-CZ 3.99Å; L1082-F1101 HydrophobicContact CD1-CE1 3.64Å; L1082-F1101 HydrophobicContact CD1-CZ 4.1Å |
| 1083 | A | 92.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 166.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | V1064 Q1081 F1101 W1113 | V1064-A1083 HydrophobicContact CB-CB 4.03Å; V1064-A1083 HydrophobicContact CG2-CB 3.92Å; V1064-A1083 PolarHBondContact N-O 3.32Å; Q1081-A1083 PolarHBondContact NE2-O 2.73Å; A1083-F1101 HydrophobicContact CB-CE2 4.38Å; A1083-F1101 HydrophobicContact CB-CZ 4.23Å; A1083-W1113 HydrophobicContact CB-CD2 3.72Å; A1083-W1113 HydrophobicContact CB-CE3 3.8Å; A1083-W1113 HydrophobicContact CB-CG 4.43Å; A1083-W1113 HydrophobicContact CB-CH2 3.79Å; A1083-W1113 HydrophobicContact CB-CZ2 3.71Å; A1083-W1113 HydrophobicContact CB-CZ3 3.83Å |
| 1084 | E | 94.5 | Very high | 91.8 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 145.7 | 178.4 | -160.3 | 168.1 | 141.2 | 0 | 0 | 110.1 | K1062 R1063 Q1081 | K1062-E1084 CarbonylContact O-C 3.54Å; K1062-E1084 WeakPolarHBondContact O-CA 3.3Å; R1063-E1084 HydrophobicContact CG-CG 4.47Å; Q1081-E1084 PolarHBondContact NE2-OE2 3.08Å |
| 1085 | H | 96.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | trans | -113.9 | 165.7 | 176.2 | -91.6 | -94.6 | 0 | 0 | 0 | 111.5 | K1062 D1087 I1089 T1103 S1105 D1107 S1109 | K1062-H1085 WeakPolarHBondContact CB-O 3.25Å; K1062-H1085 PolarHBondContact O-N 3.04Å; H1085-D1087 VanDerWaalsContact C-N 3.33Å; H1085-D1087 VanDerWaalsContact CB-O 3.31Å; H1085-D1087 WeakPolarHBondContact CB-O 3.33Å; H1085-I1089 HydrophobicContact CB-CD1 4.13Å; H1085-I1089 HydrophobicContact CB-CG1 3.8Å; H1085-I1089 VanDerWaalsContact CD2-CD1 3.49Å; H1085-I1089 WeakPolarHBondContact CD2-CD1 3.15Å; H1085-T1103 WeakPolarHBondContact NE2-CB 3.37Å; H1085-T1103 PolarHBondContact NE2-OG1 3.22Å; H1085-S1105 WeakPolarHBondContact ND1-CB 3.32Å; H1085-S1105 PolarHBondContact ND1-OG 2.8Å; H1085-D1107 WeakPolarHBondContact CB-OD2 3.36Å; H1085-D1107 IonicContact CG-OD2 2.75Å; H1085-D1107 IonicContact ND1-OD1 3.56Å; H1085-D1107 PolarHBondContact ND1-OD1 3.07Å; H1085-D1107 IonicContact ND1-OD2 3.08Å; H1085-D1107 PolarHBondContact ND1-OD2 3.28Å; H1085-S1109 PolarHBondContact CE1-OG 2.7Å; H1085-S1109 PolarHBondContact ND1-OG 3.32Å | ||
| 1086 | T | 96.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 69% | 0.687 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -81.5 | -17.2 | 178.6 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | K1062 D1107 | K1062-T1086 WeakPolarHBondContact CE-O 3.16Å; K1062-T1086 PolarHBondContact NZ-O 3.49Å; T1086-D1107 PolarHBondContact N-OD2 2.95Å; T1086-D1107 WeakPolarHBondContact OG1-CB 3.21Å; T1086-D1107 PolarHBondContact OG1-OD2 3.2Å |
| 1087 | D | 97 | Very high | 93.2 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 35% | 0.348 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -143.4 | -179.1 | 172.5 | -161.7 | 8.8 | 0 | 0 | 0 | 111 | H1085 I1089 S1105 A1106 D1107 | H1085-D1087 VanDerWaalsContact C-N 3.33Å; H1085-D1087 VanDerWaalsContact CB-O 3.31Å; H1085-D1087 WeakPolarHBondContact CB-O 3.33Å; D1087-I1089 PolarHBondContact O-N 2.75Å; D1087-S1105 PolarHBondContact O-OG 3.41Å; D1087-A1106 HydrophobicContact CB-CB 4.11Å; D1087-A1106 VanDerWaalsContact OD2-CB 3.3Å; D1087-A1106 WeakPolarHBondContact OD2-CB 3.34Å; D1087-D1107 HydrophobicContact CB-CB 3.86Å |
| 1088 | K | 97.3 | Very high | 93.1 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 35% | 0.352 | 23% | 0.225 | S | C | . | . | trans | -47 | 123.5 | -176.5 | -70.7 | -176.8 | 167.9 | -151.7 | 0 | 114.7 | Y1060 S1105 A1106 | Y1060-K1088 HydrophobicContact CD1-CB 3.53Å; Y1060-K1088 HydrophobicContact CD1-CD 3.75Å; Y1060-K1088 HydrophobicContact CD1-CG 3.83Å; Y1060-K1088 HydrophobicContact CD2-CD 3.85Å; Y1060-K1088 VanDerWaalsContact CD2-NZ 3.27Å; Y1060-K1088 HydrophobicContact CE1-CB 4.06Å; Y1060-K1088 HydrophobicContact CE1-CD 4.14Å; Y1060-K1088 HydrophobicContact CE2-CD 4.25Å; Y1060-K1088 HydrophobicContact CG-CB 4.08Å; Y1060-K1088 HydrophobicContact CG-CD 3.57Å; Y1060-K1088 HydrophobicContact CG-CG 3.84Å; K1088-S1105 WeakPolarHBondContact O-CA 3.22Å; K1088-S1105 PolarHBondContact O-OG 3.02Å; K1088-A1106 HydrophobicContact CB-CB 3.9Å; K1088-A1106 WeakPolarHBondContact O-CB 3.39Å; K1088-A1106 PolarHBondContact O-N 3.3Å | ||
| 1089 | I | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 142.5 | 172.4 | -51.5 | -179.6 | 0 | 0 | 0 | 109.9 | A1058 S1059 Y1060 K1062 V1064 H1085 D1087 T1103 S1104 | A1058-I1089 HydrophobicContact CB-CB 4.2Å; A1058-I1089 HydrophobicContact CB-CG2 3.73Å; S1059-I1089 PolarHBondContact O-N 2.86Å; Y1060-I1089 WeakPolarHBondContact CD1-O 3.4Å; K1062-I1089 WeakPolarHBondContact O-CD1 3.42Å; V1064-I1089 HydrophobicContact CG2-CD1 3.47Å; V1064-I1089 VanDerWaalsContact CG2-CD1 3.47Å; H1085-I1089 HydrophobicContact CB-CD1 4.13Å; H1085-I1089 HydrophobicContact CB-CG1 3.8Å; H1085-I1089 VanDerWaalsContact CD2-CD1 3.49Å; H1085-I1089 WeakPolarHBondContact CD2-CD1 3.15Å; D1087-I1089 PolarHBondContact O-N 2.75Å; I1089-T1103 HydrophobicContact CG2-CG2 4.32Å; I1089-S1104 WeakPolarHBondContact CG2-O 3.41Å |
| 1090 | I | 96.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | -38 | -169.4 | -55.6 | 168.8 | 0 | 0 | 0 | 111.9 | R773 Y1060 S1104 A1106 | R773-I1090 VanDerWaalsContact O-CG2 3.26Å; R773-I1090 WeakPolarHBondContact O-CG2 3.45Å; Y1060-I1090 HydrophobicContact CE1-CG1 4.46Å; I1090-S1104 PolarHBondContact N-O 2.52Å; I1090-A1106 HydrophobicContact CD1-CB 4.29Å |
| 1091 | Q | 96.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151.5 | 167.6 | -64.4 | -170.9 | -7 | 0 | 0 | 111.1 | V775 T1103 S1104 | V775-Q1091 HydrophobicContact CG1-CB 4.4Å; V775-Q1091 VanDerWaalsContact N-OE1 3.15Å; V775-Q1091 PolarHBondContact O-OE1 3.08Å; Q1091-T1103 CarbonylContact O-C 3.52Å; Q1091-T1103 WeakPolarHBondContact O-CA 3.49Å; Q1091-S1104 WeakPolarHBondContact CB-OG 3.43Å; Q1091-S1104 PolarHBondContact N-OG 3.13Å; Q1091-S1104 VanDerWaalsContact N-OG 3.16Å; Q1091-S1104 PolarHBondContact O-N 3.12Å |
| 1092 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.3 | 165 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1045 L1056 A1058 I1102 T1103 | S1045-A1092 PolarHBondContact OG-N 2.57Å; S1045-A1092 VanDerWaalsContact OG-N 3.1Å; S1045-A1092 PolarHBondContact OG-O 3.48Å; S1045-A1092 VanDerWaalsContact OG-O 3.14Å; L1056-A1092 HydrophobicContact CD2-CB 3.94Å; L1056-A1092 HydrophobicContact CG-CB 4.39Å; A1058-A1092 HydrophobicContact CB-CB 3.8Å; A1092-I1102 WeakPolarHBondContact CA-O 3.33Å; A1092-T1103 HydrophobicContact CB-CG2 4.25Å |
| 1093 | R | 95.9 | Very high | 94 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 17% | 0.17 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.1 | -178.4 | -60.3 | -68.6 | -169.7 | 166.4 | -3.2 | 110.6 | V775 F777 F1101 I1102 | V775-R1093 HydrophobicContact CG1-CG 3.98Å; V775-R1093 WeakPolarHBondContact O-CG 3.46Å; V775-R1093 PolarHBondContact O-NE 2.91Å; V775-R1093 VanDerWaalsContact O-NE 3.12Å; F777-R1093 HydrophobicContact CD2-CB 4.12Å; F777-R1093 HydrophobicContact CE2-CB 4.26Å; R1093-F1101 CarbonylContact O-C 3.57Å; R1093-F1101 WeakPolarHBondContact O-CA 3.11Å; R1093-F1101 WeakPolarHBondContact O-CB 3.42Å; R1093-I1102 PolarHBondContact N-O 3.39Å; R1093-I1102 PolarHBondContact O-N 3.31Å |
| 1094 | W | 94.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 145 | 165.5 | -71.4 | 112.2 | 0 | 0 | 0 | 111.6 | F777 R1047 L1056 L1066 L1099 F1101 | F777-W1094 WeakPolarHBondContact CD2-O 3.41Å; F777-W1094 VanDerWaalsContact CE2-C 3.49Å; F777-W1094 VanDerWaalsContact CE2-O 3.31Å; F777-W1094 WeakPolarHBondContact CE2-O 3.31Å; R1047-W1094 PolarHBondContact O-NE1 3.19Å; L1056-W1094 HydrophobicContact CB-CZ2 3.73Å; L1056-W1094 VanDerWaalsContact CB-NE1 3.34Å; L1056-W1094 HydrophobicContact CD1-CH2 4.34Å; L1056-W1094 HydrophobicContact CD1-CZ2 4.06Å; L1056-W1094 HydrophobicContact CD2-CD2 4.17Å; L1056-W1094 HydrophobicContact CD2-CG 4.47Å; L1056-W1094 HydrophobicContact CD2-CZ2 4.3Å; L1056-W1094 HydrophobicContact CG-CZ2 4.26Å; L1066-W1094 HydrophobicContact CD1-CH2 3.98Å; L1066-W1094 HydrophobicContact CD1-CZ2 4.16Å; W1094-L1099 HydrophobicContact CE3-CD1 4.14Å; W1094-L1099 HydrophobicContact CH2-CD1 3.61Å; W1094-L1099 HydrophobicContact CH2-CG 3.97Å; W1094-L1099 HydrophobicContact CZ2-CD1 4.33Å; W1094-L1099 HydrophobicContact CZ3-CD1 3.51Å; W1094-L1099 HydrophobicContact CZ3-CG 3.67Å; W1094-F1101 HydrophobicContact CE3-CB 4.15Å; W1094-F1101 HydrophobicContact CZ3-CB 4.5Å; W1094-F1101 HydrophobicContact CZ3-CD1 4.03Å |
| 1095 | H | 93.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | trans | -68.6 | 137.1 | 162.1 | 176.9 | -83.9 | 0 | 0 | 0 | 109 | F777 G781 Y798 Y1097 Q1098 S1100 | F777-H1095 HydrophobicContact CE1-CB 4.05Å; F777-H1095 AromaticContact CE1-CD2 3.56Å; F777-H1095 HydrophobicContact CE2-CB 4.11Å; F777-H1095 HydrophobicContact CZ-CB 3.68Å; G781-H1095 WeakPolarHBondContact CA-NE2 3.29Å; G781-H1095 PolarHBondContact O-NE2 3.39Å; Y798-H1095 AromaticContact CD1-CD2 3.78Å; Y798-H1095 AromaticContact CE1-CD2 3.74Å; H1095-Y1097 PolarHBondContact ND1-N 2.84Å; H1095-Y1097 VanDerWaalsContact ND1-N 3.16Å; H1095-Y1097 PolarHBondContact O-N 2.86Å; H1095-Y1097 VanDerWaalsContact O-N 3.1Å; H1095-Q1098 HydrophobicContact CB-CB 4.33Å; H1095-Q1098 VanDerWaalsContact CE1-CD 3.47Å; H1095-Q1098 VanDerWaalsContact ND1-CB 3.34Å; H1095-Q1098 WeakPolarHBondContact ND1-CB 3.44Å; H1095-Q1098 WeakPolarHBondContact ND1-CG 3.47Å; H1095-Q1098 PolarHBondContact ND1-N 3.01Å; H1095-Q1098 VanDerWaalsContact ND1-N 3.17Å; H1095-S1100 WeakPolarHBondContact CB-O 3.4Å; H1095-S1100 WeakPolarHBondContact CB-OG 3.3Å; H1095-S1100 PolarHBondContact N-O 3.22Å | ||
| 1096 | P | 89.8 | Confident | 94.5 | Very high | 37 Ų | 37 | 33 Ų | 33 | 24% | 0.24 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.2 | -169.9 | 21.3 | -33.3 | 0 | 0 | 0 | 115 | G781 P1050 | G781-P1096 VanDerWaalsContact CA-CG 3.5Å; P1050-P1096 VanDerWaalsContact CG-O 3.31Å; P1050-P1096 WeakPolarHBondContact CG-O 3.47Å |
| 1097 | Y | 87 | Confident | 94.5 | Very high | 166 Ų | 166 | 29.1 Ų | 29.1 | 65% | 0.651 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | 8.9 | -173.2 | -47.3 | -58.8 | 0 | 0 | 0 | 115.2 | P779 H1095 | P779-Y1097 WeakPolarHBondContact O-CE2 3.05Å; P779-Y1097 PolarHBondContact O-OH 2.76Å; H1095-Y1097 PolarHBondContact ND1-N 2.84Å; H1095-Y1097 VanDerWaalsContact ND1-N 3.16Å; H1095-Y1097 PolarHBondContact O-N 2.86Å; H1095-Y1097 VanDerWaalsContact O-N 3.1Å |
| 1098 | Q | 85.7 | Confident | 94.5 | Very high | 71 Ų | 71 | 30.7 Ų | 30.7 | 33% | 0.332 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -144.2 | 149 | -173 | -63.6 | 170.3 | 4.1 | 0 | 0 | 109.7 | H1095 S1100 | H1095-Q1098 HydrophobicContact CB-CB 4.33Å; H1095-Q1098 VanDerWaalsContact CE1-CD 3.47Å; H1095-Q1098 VanDerWaalsContact ND1-CB 3.34Å; H1095-Q1098 WeakPolarHBondContact ND1-CB 3.44Å; H1095-Q1098 WeakPolarHBondContact ND1-CG 3.47Å; H1095-Q1098 PolarHBondContact ND1-N 3.01Å; H1095-Q1098 VanDerWaalsContact ND1-N 3.17Å; Q1098-S1100 PolarHBondContact O-N 2.71Å; Q1098-S1100 PolarHBondContact OE1-OG 3.36Å |
| 1099 | L | 84.9 | Confident | 94.5 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 20% | 0.204 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -80.4 | 67.7 | 170.3 | -153.2 | 79.3 | 0 | 0 | 0 | 110.4 | F667 Y760 W1094 | F667-L1099 HydrophobicContact CD1-CD2 4.17Å; F667-L1099 HydrophobicContact CD2-CD2 4Å; F667-L1099 HydrophobicContact CE1-CD2 3.69Å; F667-L1099 HydrophobicContact CE2-CB 4.46Å; F667-L1099 HydrophobicContact CE2-CD2 3.51Å; F667-L1099 HydrophobicContact CE2-CG 4.49Å; F667-L1099 HydrophobicContact CG-CD2 4.32Å; F667-L1099 HydrophobicContact CZ-CB 3.88Å; F667-L1099 HydrophobicContact CZ-CD2 3.34Å; F667-L1099 HydrophobicContact CZ-CG 4.2Å; Y760-L1099 VanDerWaalsContact OH-CD2 3.26Å; Y760-L1099 WeakPolarHBondContact OH-CD2 3.22Å; Y760-L1099 WeakPolarHBondContact OH-CG 3.23Å; Y760-L1099 PolarHBondContact OH-O 3.02Å; W1094-L1099 HydrophobicContact CE3-CD1 4.14Å; W1094-L1099 HydrophobicContact CH2-CD1 3.61Å; W1094-L1099 HydrophobicContact CH2-CG 3.97Å; W1094-L1099 HydrophobicContact CZ2-CD1 4.33Å; W1094-L1099 HydrophobicContact CZ3-CD1 3.51Å; W1094-L1099 HydrophobicContact CZ3-CG 3.67Å |
| 1100 | S | 91.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 156 | 175.4 | 58.8 | 0 | 0 | 0 | 0 | 108.4 | Y798 H1095 Q1098 W1113 | Y798-S1100 VanDerWaalsContact OH-CB 3.24Å; Y798-S1100 WeakPolarHBondContact OH-CB 3.45Å; Y798-S1100 PolarHBondContact OH-OG 3.23Å; H1095-S1100 WeakPolarHBondContact CB-O 3.4Å; H1095-S1100 WeakPolarHBondContact CB-OG 3.3Å; H1095-S1100 PolarHBondContact N-O 3.22Å; Q1098-S1100 PolarHBondContact O-N 2.71Å; Q1098-S1100 PolarHBondContact OE1-OG 3.36Å; S1100-W1113 WeakPolarHBondContact CA-O 3.47Å; S1100-W1113 VanDerWaalsContact CB-O 3.31Å; S1100-W1113 WeakPolarHBondContact CB-O 3.29Å |
| 1101 | F | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 168.6 | -175.1 | 60.2 | -90.2 | 0 | 0 | 0 | 112.4 | Y760 L1056 V1064 L1082 A1083 R1093 W1094 T1103 S1112 W1113 | Y760-F1101 HydrophobicContact CD1-CD1 4.09Å; Y760-F1101 AromaticContact CD1-CE1 3.43Å; Y760-F1101 HydrophobicContact CD1-CE1 3.43Å; Y760-F1101 VanDerWaalsContact CD1-CE1 3.43Å; Y760-F1101 HydrophobicContact CD1-CZ 4.21Å; Y760-F1101 HydrophobicContact CD2-CE1 4.37Å; Y760-F1101 AromaticContact CE1-CD1 3.83Å; Y760-F1101 HydrophobicContact CE1-CD1 3.83Å; Y760-F1101 AromaticContact CE1-CE1 3.51Å; Y760-F1101 HydrophobicContact CE1-CE1 3.51Å; Y760-F1101 HydrophobicContact CE2-CE1 4.44Å; Y760-F1101 AromaticContact CG-CE1 3.89Å; Y760-F1101 HydrophobicContact CG-CE1 3.89Å; Y760-F1101 HydrophobicContact CG-CZ 4.38Å; L1056-F1101 HydrophobicContact CD1-CD1 4.47Å; L1056-F1101 HydrophobicContact CD2-CB 3.88Å; L1056-F1101 HydrophobicContact CD2-CD1 4.46Å; L1056-F1101 HydrophobicContact CD2-CD2 4.24Å; L1056-F1101 HydrophobicContact CD2-CG 3.97Å; V1064-F1101 HydrophobicContact CB-CE2 4.45Å; V1064-F1101 HydrophobicContact CG1-CE2 3.9Å; V1064-F1101 HydrophobicContact CG1-CZ 4.13Å; V1064-F1101 HydrophobicContact CG2-CE2 4.33Å; L1082-F1101 HydrophobicContact CB-CE1 4.29Å; L1082-F1101 HydrophobicContact CB-CZ 3.99Å; L1082-F1101 HydrophobicContact CD1-CE1 3.64Å; L1082-F1101 HydrophobicContact CD1-CZ 4.1Å; A1083-F1101 HydrophobicContact CB-CE2 4.38Å; A1083-F1101 HydrophobicContact CB-CZ 4.23Å; R1093-F1101 CarbonylContact O-C 3.57Å; R1093-F1101 WeakPolarHBondContact O-CA 3.11Å; R1093-F1101 WeakPolarHBondContact O-CB 3.42Å; W1094-F1101 HydrophobicContact CE3-CB 4.15Å; W1094-F1101 HydrophobicContact CZ3-CB 4.5Å; W1094-F1101 HydrophobicContact CZ3-CD1 4.03Å; F1101-T1103 HydrophobicContact CD2-CG2 4.14Å; F1101-T1103 HydrophobicContact CE2-CG2 4.08Å; F1101-S1112 WeakPolarHBondContact O-CA 3.32Å; F1101-S1112 PolarHBondContact O-OG 3.13Å; F1101-W1113 HydrophobicContact CD1-CB 4.2Å; F1101-W1113 HydrophobicContact CD2-CB 3.98Å; F1101-W1113 AromaticContact CD2-CD1 3.6Å; F1101-W1113 HydrophobicContact CD2-CG 4.03Å; F1101-W1113 HydrophobicContact CE1-CB 3.84Å; F1101-W1113 HydrophobicContact CE2-CB 3.61Å; F1101-W1113 AromaticContact CE2-CD1 3.25Å; F1101-W1113 HydrophobicContact CE2-CD2 4.34Å; F1101-W1113 AromaticContact CE2-CG 3.46Å; F1101-W1113 HydrophobicContact CE2-CG 3.46Å; F1101-W1113 VanDerWaalsContact CE2-CG 3.46Å; F1101-W1113 AromaticContact CE2-NE1 3.99Å; F1101-W1113 HydrophobicContact CG-CB 4.25Å; F1101-W1113 HydrophobicContact CZ-CB 3.53Å; F1101-W1113 HydrophobicContact CZ-CD2 4.5Å; F1101-W1113 AromaticContact CZ-CG 3.74Å; F1101-W1113 HydrophobicContact CZ-CG 3.74Å; F1101-W1113 PolarHBondContact N-O 2.66Å; F1101-W1113 PolarHBondContact O-N 2.98Å |
| 1102 | I | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.4 | 171.8 | -60.6 | 174.9 | 0 | 0 | 0 | 109.3 | V775 F777 Y784 Y798 A1092 R1093 V1110 I1111 | V775-I1102 HydrophobicContact CG1-CG2 4.32Å; V775-I1102 HydrophobicContact CG2-CB 4.39Å; V775-I1102 HydrophobicContact CG2-CG2 3.85Å; F777-I1102 HydrophobicContact CE1-CD1 3.69Å; F777-I1102 HydrophobicContact CE1-CG1 4.38Å; F777-I1102 HydrophobicContact CE2-CB 4.33Å; F777-I1102 HydrophobicContact CE2-CD1 3.93Å; F777-I1102 HydrophobicContact CE2-CG1 3.98Å; F777-I1102 HydrophobicContact CZ-CB 4.4Å; F777-I1102 HydrophobicContact CZ-CD1 3.34Å; F777-I1102 HydrophobicContact CZ-CG1 3.57Å; Y784-I1102 HydrophobicContact CD1-CD1 3.68Å; Y784-I1102 HydrophobicContact CD2-CD1 3.76Å; Y784-I1102 HydrophobicContact CE1-CD1 3.99Å; Y784-I1102 HydrophobicContact CE2-CD1 4.07Å; Y784-I1102 HydrophobicContact CG-CD1 3.55Å; Y798-I1102 HydrophobicContact CD2-CD1 4Å; Y798-I1102 HydrophobicContact CE2-CD1 4Å; Y798-I1102 HydrophobicContact CE2-CG1 4.19Å; A1092-I1102 WeakPolarHBondContact CA-O 3.33Å; R1093-I1102 PolarHBondContact N-O 3.39Å; R1093-I1102 PolarHBondContact O-N 3.31Å; I1102-V1110 HydrophobicContact CG2-CG1 3.5Å; I1102-I1111 WeakPolarHBondContact CA-O 3.45Å |
| 1103 | T | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 152.3 | 173.2 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | V1064 H1085 I1089 Q1091 A1092 F1101 V1110 I1111 W1113 | V1064-T1103 HydrophobicContact CG2-CG2 3.62Å; H1085-T1103 WeakPolarHBondContact NE2-CB 3.37Å; H1085-T1103 PolarHBondContact NE2-OG1 3.22Å; I1089-T1103 HydrophobicContact CG2-CG2 4.32Å; Q1091-T1103 CarbonylContact O-C 3.52Å; Q1091-T1103 WeakPolarHBondContact O-CA 3.49Å; A1092-T1103 HydrophobicContact CB-CG2 4.25Å; F1101-T1103 HydrophobicContact CD2-CG2 4.14Å; F1101-T1103 HydrophobicContact CE2-CG2 4.08Å; T1103-V1110 VanDerWaalsContact O-CA 3.24Å; T1103-V1110 WeakPolarHBondContact O-CA 3.17Å; T1103-V1110 WeakPolarHBondContact O-CG2 3.42Å; T1103-I1111 PolarHBondContact N-O 2.58Å; T1103-I1111 PolarHBondContact O-N 3.45Å; T1103-I1111 PolarHBondContact OG1-O 3.1Å; T1103-W1113 PolarHBondContact OG1-NE1 2.65Å |
| 1104 | S | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139 | 166.1 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | I772 R773 I1089 I1090 Q1091 | I772-S1104 WeakPolarHBondContact O-CB 3.29Å; R773-S1104 PolarHBondContact O-OG 2.99Å; I1089-S1104 WeakPolarHBondContact CG2-O 3.41Å; I1090-S1104 PolarHBondContact N-O 2.52Å; Q1091-S1104 WeakPolarHBondContact CB-OG 3.43Å; Q1091-S1104 PolarHBondContact N-OG 3.13Å; Q1091-S1104 VanDerWaalsContact N-OG 3.16Å; Q1091-S1104 PolarHBondContact O-N 3.12Å |
| 1105 | S | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 157.4 | -170.2 | 177.7 | 0 | 0 | 0 | 0 | 114.7 | I772 H1085 D1087 K1088 D1107 K1108 S1109 | I772-S1105 PolarHBondContact N-O 3.45Å; H1085-S1105 WeakPolarHBondContact ND1-CB 3.32Å; H1085-S1105 PolarHBondContact ND1-OG 2.8Å; D1087-S1105 PolarHBondContact O-OG 3.41Å; K1088-S1105 WeakPolarHBondContact O-CA 3.22Å; K1088-S1105 PolarHBondContact O-OG 3.02Å; S1105-D1107 WeakPolarHBondContact CB-OD1 3.39Å; S1105-D1107 PolarHBondContact O-N 3.26Å; S1105-D1107 PolarHBondContact OG-N 3.43Å; S1105-D1107 PolarHBondContact OG-OD1 3.41Å; S1105-D1107 PolarHBondContact OG-OD2 2.79Å; S1105-K1108 PolarHBondContact O-N 3.18Å; S1105-S1109 PolarHBondContact N-O 3.35Å; S1105-S1109 VanDerWaalsContact N-O 3.12Å |
| 1106 | A | 97.4 | Very high | 93.3 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 15% | 0.149 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1087 K1088 I1090 K1108 | D1087-A1106 HydrophobicContact CB-CB 4.11Å; D1087-A1106 VanDerWaalsContact OD2-CB 3.3Å; D1087-A1106 WeakPolarHBondContact OD2-CB 3.34Å; K1088-A1106 HydrophobicContact CB-CB 3.9Å; K1088-A1106 WeakPolarHBondContact O-CB 3.39Å; K1088-A1106 PolarHBondContact O-N 3.3Å; I1090-A1106 HydrophobicContact CD1-CB 4.29Å; A1106-K1108 PolarHBondContact O-N 2.63Å |
| 1107 | D | 96.4 | Very high | 92.3 | Very high | 31 Ų | 31 | 26.5 Ų | 26.5 | 17% | 0.166 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 4.5 | 172.3 | 64.1 | 27.2 | 0 | 0 | 0 | 114.1 | H1085 T1086 D1087 S1105 S1109 | H1085-D1107 WeakPolarHBondContact CB-OD2 3.36Å; H1085-D1107 IonicContact CG-OD2 2.75Å; H1085-D1107 IonicContact ND1-OD1 3.56Å; H1085-D1107 PolarHBondContact ND1-OD1 3.07Å; H1085-D1107 IonicContact ND1-OD2 3.08Å; H1085-D1107 PolarHBondContact ND1-OD2 3.28Å; T1086-D1107 PolarHBondContact N-OD2 2.95Å; T1086-D1107 WeakPolarHBondContact OG1-CB 3.21Å; T1086-D1107 PolarHBondContact OG1-OD2 3.2Å; D1087-D1107 HydrophobicContact CB-CB 3.86Å; S1105-D1107 WeakPolarHBondContact CB-OD1 3.39Å; S1105-D1107 PolarHBondContact O-N 3.26Å; S1105-D1107 PolarHBondContact OG-N 3.43Å; S1105-D1107 PolarHBondContact OG-OD1 3.41Å; S1105-D1107 PolarHBondContact OG-OD2 2.79Å; D1107-S1109 PolarHBondContact O-N 3.4Å; D1107-S1109 VanDerWaalsContact OD1-CB 3.3Å; D1107-S1109 WeakPolarHBondContact OD1-CB 3.35Å; D1107-S1109 PolarHBondContact OD1-N 3.18Å; D1107-S1109 PolarHBondContact OD1-OG 3.29Å |
| 1108 | K | 97.5 | Very high | 90.9 | Very high | 98 Ų | 98 | 26.6 Ų | 26.6 | 43% | 0.426 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 73.4 | 11 | 176.7 | -35.6 | 159.9 | -169.4 | 168.5 | 0 | 113.5 | E767 D768 Q770 I772 S1105 A1106 | E767-K1108 WeakPolarHBondContact CA-O 3.44Å; D768-K1108 PolarHBondContact N-O 2.9Å; D768-K1108 VanDerWaalsContact O-CB 3.22Å; D768-K1108 WeakPolarHBondContact O-CB 3.3Å; D768-K1108 WeakPolarHBondContact O-CD 3.49Å; Q770-K1108 WeakPolarHBondContact O-CB 3.35Å; I772-K1108 VanDerWaalsContact CD1-O 3.23Å; I772-K1108 WeakPolarHBondContact CD1-O 3.4Å; S1105-K1108 PolarHBondContact O-N 3.18Å; A1106-K1108 PolarHBondContact O-N 2.63Å |
| 1109 | S | 97.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 152.2 | 172.3 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | L766 H1085 S1105 D1107 | L766-S1109 CarbonylContact O-C 3.57Å; L766-S1109 WeakPolarHBondContact O-CA 3.23Å; H1085-S1109 PolarHBondContact CE1-OG 2.7Å; H1085-S1109 PolarHBondContact ND1-OG 3.32Å; S1105-S1109 PolarHBondContact N-O 3.35Å; S1105-S1109 VanDerWaalsContact N-O 3.12Å; D1107-S1109 PolarHBondContact O-N 3.4Å; D1107-S1109 VanDerWaalsContact OD1-CB 3.3Å; D1107-S1109 WeakPolarHBondContact OD1-CB 3.35Å; D1107-S1109 PolarHBondContact OD1-N 3.18Å; D1107-S1109 PolarHBondContact OD1-OG 3.29Å |
| 1110 | V | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127 | 155.7 | 154.3 | 0 | 0 | 0 | 0 | 107.1 | L766 I772 Y784 V786 I1102 T1103 | L766-V1110 HydrophobicContact CB-CB 4.27Å; L766-V1110 PolarHBondContact N-O 2.71Å; L766-V1110 PolarHBondContact O-N 3.44Å; I772-V1110 HydrophobicContact CB-CG2 4.04Å; I772-V1110 HydrophobicContact CD1-CB 4.31Å; I772-V1110 HydrophobicContact CD1-CG2 4Å; I772-V1110 HydrophobicContact CG2-CG2 3.5Å; I772-V1110 VanDerWaalsContact CG2-CG2 3.5Å; Y784-V1110 HydrophobicContact CE2-CG1 3.99Å; V786-V1110 HydrophobicContact CG1-CG2 4.04Å; V786-V1110 HydrophobicContact CG2-CG1 4.35Å; I1102-V1110 HydrophobicContact CG2-CG1 3.5Å; T1103-V1110 VanDerWaalsContact O-CA 3.24Å; T1103-V1110 WeakPolarHBondContact O-CA 3.17Å; T1103-V1110 WeakPolarHBondContact O-CG2 3.42Å |
| 1111 | I | 97.1 | Very high | 91.5 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.5 | -174.4 | -54.7 | -176.6 | 0 | 0 | 0 | 109.1 | P762 T764 I765 I1102 T1103 W1113 | P762-I1111 HydrophobicContact CB-CG2 3.66Å; T764-I1111 WeakPolarHBondContact O-CA 3.38Å; I765-I1111 HydrophobicContact CG1-CD1 4.39Å; I765-I1111 HydrophobicContact CG1-CG1 4.12Å; I765-I1111 HydrophobicContact CG1-CG2 4.25Å; I765-I1111 HydrophobicContact CG2-CG1 4.34Å; I1102-I1111 WeakPolarHBondContact CA-O 3.45Å; T1103-I1111 PolarHBondContact N-O 2.58Å; T1103-I1111 PolarHBondContact O-N 3.45Å; T1103-I1111 PolarHBondContact OG1-O 3.1Å; I1111-W1113 HydrophobicContact CB-CZ2 4.03Å; I1111-W1113 HydrophobicContact CD1-CZ2 3.96Å; I1111-W1113 HydrophobicContact CG2-CD2 3.98Å; I1111-W1113 VanDerWaalsContact CG2-CE2 3.44Å; I1111-W1113 HydrophobicContact CG2-CG 4.41Å; I1111-W1113 HydrophobicContact CG2-CH2 4.3Å; I1111-W1113 HydrophobicContact CG2-CZ2 3.64Å; I1111-W1113 PolarHBondContact O-NE1 2.75Å |
| 1112 | S | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.1 | 166.1 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | P762 V763 T764 Y798 F1101 | P762-S1112 CarbonylContact C-O 3.57Å; P762-S1112 WeakPolarHBondContact CA-O 3.44Å; V763-S1112 PolarHBondContact N-O 3.27Å; T764-S1112 PolarHBondContact O-N 2.85Å; T764-S1112 WeakPolarHBondContact OG1-CB 3.27Å; Y798-S1112 WeakPolarHBondContact CE2-OG 3.34Å; Y798-S1112 PolarHBondContact OH-OG 3.44Å; F1101-S1112 WeakPolarHBondContact O-CA 3.32Å; F1101-S1112 PolarHBondContact O-OG 3.13Å |
| 1113 | W | 94.5 | Very high | 90.9 | Very high | 20 Ų | 20 | 27.9 Ų | 27.9 | 8% | 0.076 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.7 | -178.3 | -55.1 | 88 | 0 | 0 | 0 | 110 | Y760 I761 P762 A1083 S1100 F1101 T1103 I1111 | Y760-W1113 HydrophobicContact CD1-CB 4.07Å; I761-W1113 WeakPolarHBondContact O-CA 3.11Å; P762-W1113 HydrophobicContact CB-CE3 4.41Å; P762-W1113 HydrophobicContact CB-CZ3 4.22Å; P762-W1113 HydrophobicContact CG-CZ3 4.44Å; A1083-W1113 HydrophobicContact CB-CD2 3.72Å; A1083-W1113 HydrophobicContact CB-CE3 3.8Å; A1083-W1113 HydrophobicContact CB-CG 4.43Å; A1083-W1113 HydrophobicContact CB-CH2 3.79Å; A1083-W1113 HydrophobicContact CB-CZ2 3.71Å; A1083-W1113 HydrophobicContact CB-CZ3 3.83Å; S1100-W1113 WeakPolarHBondContact CA-O 3.47Å; S1100-W1113 VanDerWaalsContact CB-O 3.31Å; S1100-W1113 WeakPolarHBondContact CB-O 3.29Å; F1101-W1113 HydrophobicContact CD1-CB 4.2Å; F1101-W1113 HydrophobicContact CD2-CB 3.98Å; F1101-W1113 AromaticContact CD2-CD1 3.6Å; F1101-W1113 HydrophobicContact CD2-CG 4.03Å; F1101-W1113 HydrophobicContact CE1-CB 3.84Å; F1101-W1113 HydrophobicContact CE2-CB 3.61Å; F1101-W1113 AromaticContact CE2-CD1 3.25Å; F1101-W1113 HydrophobicContact CE2-CD2 4.34Å; F1101-W1113 AromaticContact CE2-CG 3.46Å; F1101-W1113 HydrophobicContact CE2-CG 3.46Å; F1101-W1113 VanDerWaalsContact CE2-CG 3.46Å; F1101-W1113 AromaticContact CE2-NE1 3.99Å; F1101-W1113 HydrophobicContact CG-CB 4.25Å; F1101-W1113 HydrophobicContact CZ-CB 3.53Å; F1101-W1113 HydrophobicContact CZ-CD2 4.5Å; F1101-W1113 AromaticContact CZ-CG 3.74Å; F1101-W1113 HydrophobicContact CZ-CG 3.74Å; F1101-W1113 PolarHBondContact N-O 2.66Å; F1101-W1113 PolarHBondContact O-N 2.98Å; T1103-W1113 PolarHBondContact OG1-NE1 2.65Å; I1111-W1113 HydrophobicContact CB-CZ2 4.03Å; I1111-W1113 HydrophobicContact CD1-CZ2 3.96Å; I1111-W1113 HydrophobicContact CG2-CD2 3.98Å; I1111-W1113 VanDerWaalsContact CG2-CE2 3.44Å; I1111-W1113 HydrophobicContact CG2-CG 4.41Å; I1111-W1113 HydrophobicContact CG2-CH2 4.3Å; I1111-W1113 HydrophobicContact CG2-CZ2 3.64Å; I1111-W1113 PolarHBondContact O-NE1 2.75Å |
| 1114 | A | 91.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y760 I761 V763 V801 L804 | Y760-A1114 WeakPolarHBondContact CA-O 3.31Å; I761-A1114 PolarHBondContact N-O 3.46Å; I761-A1114 PolarHBondContact O-N 3.16Å; V763-A1114 HydrophobicContact CG2-CB 3.76Å; V801-A1114 HydrophobicContact CB-CB 3.98Å; V801-A1114 HydrophobicContact CG1-CB 3.85Å; L804-A1114 HydrophobicContact CD1-CB 3.65Å |
| 1115 | L | 86.9 | Confident | 89.9 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 140.2 | 169.5 | -71.8 | 164.3 | 0 | 0 | 0 | 109.8 | F667 P758 Y760 | F667-L1115 HydrophobicContact CD1-CD1 3.81Å; F667-L1115 HydrophobicContact CE1-CD1 3.57Å; P758-L1115 HydrophobicContact CB-CD2 4.43Å; Y760-L1115 HydrophobicContact CD1-CG 4.2Å; Y760-L1115 HydrophobicContact CD2-CD2 3.69Å; Y760-L1115 HydrophobicContact CD2-CG 3.97Å; Y760-L1115 HydrophobicContact CE1-CD1 4.48Å; Y760-L1115 HydrophobicContact CE1-CG 3.94Å; Y760-L1115 HydrophobicContact CE2-CD1 3.92Å; Y760-L1115 HydrophobicContact CE2-CD2 3.76Å; Y760-L1115 HydrophobicContact CE2-CG 3.69Å; Y760-L1115 HydrophobicContact CG-CD2 4.14Å; Y760-L1115 HydrophobicContact CG-CG 4.22Å |
| 1116 | P | 82.5 | Confident | 89.3 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 8% | 0.078 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 150.2 | 167.5 | 28.4 | -33.4 | 0 | 0 | 0 | 110.8 | Q668 R759 I761 L804 A806 | Q668-P1116 PolarHBondContact NE2-O 3.49Å; R759-P1116 WeakPolarHBondContact O-CD 3.33Å; I761-P1116 HydrophobicContact CD1-CB 4.13Å; L804-P1116 CarbonylContact O-C 3.47Å; L804-P1116 WeakPolarHBondContact O-CA 3.36Å; L804-P1116 WeakPolarHBondContact O-CB 3.37Å; A806-P1116 HydrophobicContact CB-CB 4.26Å; A806-P1116 HydrophobicContact CB-CG 4.26Å |
| 1117 | T | 69.8 | Low | 88.6 | Confident | 59 Ų | 59 | 35.8 Ų | 35.8 | 36% | 0.362 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -76.9 | 129 | 163.1 | 44.9 | 0 | 0 | 0 | 0 | 108.7 | Q802 L804 | Q802-T1117 VanDerWaalsContact O-CG2 3.32Å; Q802-T1117 WeakPolarHBondContact O-CG2 3.47Å; L804-T1117 PolarHBondContact N-OG1 2.71Å; L804-T1117 PolarHBondContact O-N 3.35Å; L804-T1117 PolarHBondContact O-OG1 3.26Å |
| 1118 | V | 56.7 | Low | 87.9 | Confident | 167 Ų | 167 | 36.2 Ų | 36.2 | 100% | 1.012 | 20% | 0.2 | S | C | * | . | trans | -87.3 | 0 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 1,118 of 1,118 residues in 586.9 ms
(Link to these results)