| 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 | 41.3 | Very low | 80.2 | Confident | 230 Ų | 230 | 75 Ų | 75 | 100% | 1.133 | 38% | 0.38 | S | S | * | . | 0 | 105.7 | 0 | -74.9 | 173.7 | 169.6 | 0 | 0 | 106.6 | |||||
| 2 | N | 40.9 | Very low | 81.1 | Confident | 171 Ų | 171 | 71.8 Ų | 71.8 | 91% | 0.914 | 37% | 0.37 | S | S | * | . | trans | -99.3 | 95.4 | 172.1 | -66.9 | 11.9 | 0 | 0 | 0 | 105.8 | ||||
| 3 | G | 57.8 | Low | 81.7 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 140.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 4 | D | 83.5 | Confident | 81.9 | Confident | 147 Ų | 147 | 74.9 Ų | 74.9 | 79% | 0.786 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 141.2 | 172.4 | -63.5 | -41.7 | 0 | 0 | 0 | 109.7 | ||
| 5 | W | 91.3 | Very high | 82.1 | Confident | 93 Ų | 93 | 82.2 Ų | 82.2 | 35% | 0.352 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 124.5 | 177.1 | -71.3 | 90 | 0 | 0 | 0 | 109.6 | E45 I47 Q66 R68 | W5-E45 HydrophobicContact CB-CB 4.35Å; W5-E45 HydrophobicContact CD2-CB 4.47Å; W5-E45 HydrophobicContact CE3-CB 3.78Å; W5-E45 HydrophobicContact CZ3-CB 4.5Å; W5-E45 WeakPolarHBondContact CZ3-O 3.45Å; W5-I47 HydrophobicContact CD2-CD1 4.1Å; W5-I47 HydrophobicContact CD2-CG1 3.88Å; W5-I47 HydrophobicContact CE3-CD1 4.5Å; W5-I47 HydrophobicContact CE3-CG1 3.95Å; W5-I47 HydrophobicContact CG-CG1 4.33Å; W5-I47 HydrophobicContact CH2-CD1 4.39Å; W5-I47 HydrophobicContact CZ2-CD1 3.94Å; W5-I47 HydrophobicContact CZ2-CG1 4.4Å; W5-I47 HydrophobicContact CZ3-CG1 4.28Å; W5-Q66 HydrophobicContact CH2-CB 4.02Å; W5-Q66 HydrophobicContact CZ3-CB 4.39Å; W5-R68 HydrophobicContact CE3-CG 4.37Å; W5-R68 HydrophobicContact CH2-CG 4.31Å; W5-R68 HydrophobicContact CZ3-CG 3.92Å |
| 6 | S | 92.4 | Very high | 82.3 | Confident | 14 Ų | 14 | 83.3 Ų | 83.3 | 10% | 0.098 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 142.6 | 175.8 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | E45 V46 | S6-E45 CarbonylContact O-C 3.59Å; S6-E45 WeakPolarHBondContact O-CA 3.32Å; S6-V46 PolarHBondContact N-O 3.33Å; S6-V46 PolarHBondContact O-N 2.87Å |
| 7 | R | 94.3 | Very high | 82.7 | Confident | 105 Ų | 105 | 82 Ų | 82 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 135.1 | 175.5 | -64.2 | -179.5 | -174.1 | 163.7 | 6.7 | 110.1 | I23 E45 I70 L73 E111 | R7-I23 HydrophobicContact CB-CD1 4.25Å; R7-I23 PolarHBondContact O-N 3.06Å; R7-E45 HydrophobicContact CG-CG 4.32Å; R7-I70 HydrophobicContact CG-CD1 4.4Å; R7-L73 HydrophobicContact CB-CD1 4.35Å; R7-E111 IonicContact CZ-OE2 2.83Å; R7-E111 IonicContact NH1-OE1 2.76Å; R7-E111 IonicContact NH1-OE2 2.86Å; R7-E111 PolarHBondContact NH1-OE2 3.49Å |
| 8 | A | 96.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 160 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F20 V21 I22 F43 F44 V46 | A8-F20 HydrophobicContact CB-CB 4.44Å; A8-F20 HydrophobicContact CB-CD1 3.96Å; A8-V21 WeakPolarHBondContact CA-O 3.45Å; A8-V21 WeakPolarHBondContact CB-O 3.2Å; A8-I22 HydrophobicContact CB-CD1 3.83Å; A8-F43 WeakPolarHBondContact O-CA 3.45Å; A8-F44 PolarHBondContact N-O 2.98Å; A8-F44 PolarHBondContact O-N 2.84Å; A8-F44 VanDerWaalsContact O-O 3.04Å; A8-V46 HydrophobicContact CB-CG1 4.16Å; A8-V46 HydrophobicContact CB-CG2 3.8Å |
| 9 | F | 96.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 155.2 | 167.6 | 74.6 | -82.3 | 0 | 0 | 0 | 110.9 | L11 F20 V21 I23 G42 F43 V88 M90 C135 F147 | F9-L11 HydrophobicContact CE2-CB 4.09Å; F9-L11 HydrophobicContact CE2-CD1 3.96Å; F9-L11 HydrophobicContact CZ-CD1 4.34Å; F9-L11 PolarHBondContact O-N 3.47Å; F9-F20 VanDerWaalsContact O-CA 3.27Å; F9-F20 WeakPolarHBondContact O-CA 3.42Å; F9-V21 HydrophobicContact CD1-CB 4.22Å; F9-V21 HydrophobicContact CE1-CB 3.6Å; F9-V21 HydrophobicContact CE1-CG1 3.87Å; F9-V21 HydrophobicContact CE1-CG2 4.3Å; F9-V21 HydrophobicContact CZ-CB 3.86Å; F9-V21 HydrophobicContact CZ-CG1 4.35Å; F9-V21 HydrophobicContact CZ-CG2 4.05Å; F9-V21 PolarHBondContact N-O 3.28Å; F9-V21 PolarHBondContact O-N 2.86Å; F9-I23 HydrophobicContact CD1-CD1 4.1Å; F9-I23 HydrophobicContact CD1-CG1 3.87Å; F9-I23 HydrophobicContact CE1-CG1 4.39Å; F9-G42 VanDerWaalsContact CA-O 3.3Å; F9-G42 WeakPolarHBondContact CA-O 3.35Å; F9-F43 HydrophobicContact CB-CD1 3.73Å; F9-F43 HydrophobicContact CB-CE1 3.74Å; F9-F43 HydrophobicContact CB-CG 4.23Å; F9-F43 HydrophobicContact CB-CZ 4.27Å; F9-F43 HydrophobicContact CG-CE1 4.37Å; F9-V88 HydrophobicContact CD2-CG1 4.45Å; F9-V88 HydrophobicContact CE2-CG1 4.39Å; F9-M90 HydrophobicContact CD2-CE 4.25Å; F9-M90 HydrophobicContact CD2-SD 4.36Å; F9-M90 HydrophobicContact CE1-CE 4.19Å; F9-M90 HydrophobicContact CE2-CE 3.74Å; F9-M90 HydrophobicContact CE2-SD 4.44Å; F9-M90 HydrophobicContact CZ-CE 3.72Å; F9-C135 HydrophobicContact CZ-CB 3.82Å; F9-F147 AromaticContact CE1-CE1 3.8Å; F9-F147 HydrophobicContact CE1-CE1 3.8Å; F9-F147 HydrophobicContact CE1-CZ 4.14Å; F9-F147 HydrophobicContact CZ-CE1 4.17Å |
| 10 | V | 95.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 105.9 | -180 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | Y18 F20 V38 Q39 V40 G41 G42 F44 | V10-Y18 HydrophobicContact CG1-CD1 4.07Å; V10-F20 HydrophobicContact CG2-CD1 4.14Å; V10-F20 HydrophobicContact CG2-CD2 4.45Å; V10-F20 HydrophobicContact CG2-CE1 3.68Å; V10-F20 HydrophobicContact CG2-CE2 4Å; V10-F20 HydrophobicContact CG2-CZ 3.61Å; V10-V38 HydrophobicContact CG1-CG1 4.27Å; V10-V38 HydrophobicContact CG2-CG1 3.48Å; V10-V38 VanDerWaalsContact CG2-CG1 3.48Å; V10-Q39 WeakPolarHBondContact CB-O 3.4Å; V10-Q39 WeakPolarHBondContact CG2-O 3.06Å; V10-V40 HydrophobicContact CG1-CB 4.48Å; V10-V40 HydrophobicContact CG1-CG2 4.22Å; V10-G41 PolarHBondContact O-N 2.92Å; V10-G42 PolarHBondContact N-O 2.86Å; V10-F44 HydrophobicContact CG2-CD2 3.87Å; V10-F44 HydrophobicContact CG2-CE2 3.6Å |
| 11 | L | 92.9 | Very high | 84.9 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -42.9 | 179.5 | 179.6 | 64.5 | 0 | 0 | 0 | 112.2 | F9 F19 V21 V88 C135 | F9-L11 HydrophobicContact CE2-CB 4.09Å; F9-L11 HydrophobicContact CE2-CD1 3.96Å; F9-L11 HydrophobicContact CZ-CD1 4.34Å; F9-L11 PolarHBondContact O-N 3.47Å; L11-F19 PolarHBondContact N-O 3.16Å; L11-V21 HydrophobicContact CB-CG2 4.01Å; L11-V21 HydrophobicContact CD2-CG2 3.88Å; L11-V21 HydrophobicContact CG-CG2 4.47Å; L11-V88 WeakPolarHBondContact O-CG2 3.48Å; L11-C135 HydrophobicContact CD1-CB 3.89Å |
| 12 | S | 90.9 | Very high | 87.4 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 170 | -176.8 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | F19 | S12-F19 PolarHBondContact N-O 2.87Å; S12-F19 PolarHBondContact O-N 3.39Å |
| 13 | K | 89.1 | Confident | 89.8 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.2 | 174.9 | -179.4 | -174.4 | -178.4 | 167.6 | 0 | 109.7 | K15 L17 Y18 V40 | K13-K15 WeakPolarHBondContact CE-O 3.26Å; K13-L17 CarbonylContact C-O 3.52Å; K13-L17 WeakPolarHBondContact CA-O 3.2Å; K13-Y18 HydrophobicContact CB-CD1 4.07Å; K13-Y18 HydrophobicContact CB-CE1 4.17Å; K13-Y18 HydrophobicContact CD-CD1 4.25Å; K13-Y18 HydrophobicContact CD-CE1 3.55Å; K13-Y18 HydrophobicContact CD-CE2 4.42Å; K13-Y18 WeakPolarHBondContact CE-OH 3.34Å; K13-Y18 HydrophobicContact CG-CD1 4.04Å; K13-Y18 HydrophobicContact CG-CE1 3.85Å; K13-Y18 HydrophobicContact CG-CG 4.49Å; K13-Y18 PolarHBondContact NZ-OH 2.89Å; K13-V40 HydrophobicContact CB-CG2 3.89Å |
| 14 | V | 85.1 | Confident | 91 | Very high | 79 Ų | 79 | 54 Ų | 54 | 48% | 0.479 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 113.1 | 172.3 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | N16 L17 F19 | V14-N16 PolarHBondContact O-N 2.66Å; V14-N16 VanDerWaalsContact O-N 3.16Å; V14-L17 PolarHBondContact N-O 3.07Å; V14-L17 WeakPolarHBondContact O-CB 3.44Å; V14-L17 PolarHBondContact O-N 2.78Å; V14-F19 HydrophobicContact CB-CE2 3.97Å; V14-F19 HydrophobicContact CG2-CD2 4.3Å; V14-F19 HydrophobicContact CG2-CE2 3.8Å |
| 15 | K | 84.9 | Confident | 91.2 | Very high | 185 Ų | 185 | 52 Ų | 52 | 80% | 0.804 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | -115.3 | -171.4 | -55.4 | 175.9 | -178 | 177.4 | 0 | 110.4 | K13 | K13-K15 WeakPolarHBondContact CE-O 3.26Š|
| 16 | N | 84.6 | Confident | 91 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 54% | 0.535 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 3 | 179.5 | -61.8 | 7.4 | 0 | 0 | 0 | 113 | V14 D33 | V14-N16 PolarHBondContact O-N 2.66Å; V14-N16 VanDerWaalsContact O-N 3.16Å; N16-D33 PolarHBondContact O-N 2.83Å |
| 17 | L | 89 | Confident | 90.9 | Very high | 61 Ų | 61 | 48.8 Ų | 48.8 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 127.7 | 178.1 | -55 | -179.4 | 0 | 0 | 0 | 110 | K13 V14 F19 I30 N32 | K13-L17 CarbonylContact C-O 3.52Å; K13-L17 WeakPolarHBondContact CA-O 3.2Å; V14-L17 PolarHBondContact N-O 3.07Å; V14-L17 WeakPolarHBondContact O-CB 3.44Å; V14-L17 PolarHBondContact O-N 2.78Å; L17-F19 HydrophobicContact CB-CE2 4.06Å; L17-F19 HydrophobicContact CB-CZ 4.43Å; L17-I30 HydrophobicContact CB-CG2 4.28Å; L17-I30 HydrophobicContact CD2-CG2 3.92Å; L17-N32 HydrophobicContact CD2-CB 3.72Å; L17-N32 WeakPolarHBondContact CD2-OD1 3.38Å |
| 18 | Y | 93.4 | Very high | 90.7 | Very high | 22 Ų | 22 | 44 Ų | 44 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.2 | 171.1 | -66.1 | -97.7 | 0 | 0 | 0 | 108.9 | V10 K13 I30 L31 P34 V38 | V10-Y18 HydrophobicContact CG1-CD1 4.07Å; K13-Y18 HydrophobicContact CB-CD1 4.07Å; K13-Y18 HydrophobicContact CB-CE1 4.17Å; K13-Y18 HydrophobicContact CD-CD1 4.25Å; K13-Y18 HydrophobicContact CD-CE1 3.55Å; K13-Y18 HydrophobicContact CD-CE2 4.42Å; K13-Y18 WeakPolarHBondContact CE-OH 3.34Å; K13-Y18 HydrophobicContact CG-CD1 4.04Å; K13-Y18 HydrophobicContact CG-CE1 3.85Å; K13-Y18 HydrophobicContact CG-CG 4.49Å; K13-Y18 PolarHBondContact NZ-OH 2.89Å; Y18-I30 WeakPolarHBondContact O-CA 3.32Å; Y18-L31 PolarHBondContact N-O 2.88Å; Y18-L31 PolarHBondContact O-N 3Å; Y18-P34 HydrophobicContact CD2-CG 3.89Å; Y18-P34 HydrophobicContact CE2-CG 3.43Å; Y18-P34 VanDerWaalsContact CE2-CG 3.43Å; Y18-V38 HydrophobicContact CD1-CB 4.02Å; Y18-V38 HydrophobicContact CD1-CG1 3.63Å; Y18-V38 HydrophobicContact CE1-CB 3.89Å; Y18-V38 HydrophobicContact CE1-CG1 3.95Å; Y18-V38 WeakPolarHBondContact CE1-O 3.27Å; Y18-V38 HydrophobicContact CG-CB 4.4Å; Y18-V38 HydrophobicContact CG-CG1 4.09Å |
| 19 | F | 92.7 | Very high | 90.6 | Very high | 49 Ų | 49 | 44 Ų | 44 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.5 | 178.9 | -67.6 | -92.5 | 0 | 0 | 0 | 109 | L11 S12 V14 L17 I30 A60 | L11-F19 PolarHBondContact N-O 3.16Å; S12-F19 PolarHBondContact N-O 2.87Å; S12-F19 PolarHBondContact O-N 3.39Å; V14-F19 HydrophobicContact CB-CE2 3.97Å; V14-F19 HydrophobicContact CG2-CD2 4.3Å; V14-F19 HydrophobicContact CG2-CE2 3.8Å; L17-F19 HydrophobicContact CB-CE2 4.06Å; L17-F19 HydrophobicContact CB-CZ 4.43Å; F19-I30 HydrophobicContact CD1-CG1 3.92Å; F19-I30 HydrophobicContact CE1-CD1 3.91Å; F19-I30 HydrophobicContact CE1-CG1 3.7Å; F19-I30 HydrophobicContact CZ-CD1 4.48Å; F19-I30 HydrophobicContact CZ-CG1 4.38Å; F19-A60 HydrophobicContact CD1-CB 4.26Å; F19-A60 HydrophobicContact CE1-CB 4.32Å |
| 20 | F | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 149.2 | 174.9 | -73.4 | -115.6 | 0 | 0 | 0 | 109.5 | A8 F9 V10 S28 A29 L31 V38 F44 V46 I64 | A8-F20 HydrophobicContact CB-CB 4.44Å; A8-F20 HydrophobicContact CB-CD1 3.96Å; F9-F20 VanDerWaalsContact O-CA 3.27Å; F9-F20 WeakPolarHBondContact O-CA 3.42Å; V10-F20 HydrophobicContact CG2-CD1 4.14Å; V10-F20 HydrophobicContact CG2-CD2 4.45Å; V10-F20 HydrophobicContact CG2-CE1 3.68Å; V10-F20 HydrophobicContact CG2-CE2 4Å; V10-F20 HydrophobicContact CG2-CZ 3.61Å; F20-S28 CarbonylContact O-C 3.6Å; F20-S28 VanDerWaalsContact O-CA 3.23Å; F20-S28 WeakPolarHBondContact O-CA 3.35Å; F20-A29 PolarHBondContact N-O 3.25Å; F20-A29 PolarHBondContact O-N 3.09Å; F20-L31 HydrophobicContact CD2-CB 4.13Å; F20-L31 HydrophobicContact CE2-CB 3.64Å; F20-L31 HydrophobicContact CE2-CD2 3.78Å; F20-L31 HydrophobicContact CE2-CG 4.39Å; F20-L31 HydrophobicContact CZ-CB 4.48Å; F20-L31 HydrophobicContact CZ-CD2 3.86Å; F20-V38 HydrophobicContact CE2-CG1 4.27Å; F20-V38 HydrophobicContact CZ-CG1 3.93Å; F20-F44 HydrophobicContact CE1-CB 3.96Å; F20-F44 AromaticContact CE1-CD2 3.64Å; F20-F44 HydrophobicContact CE1-CD2 3.64Å; F20-F44 HydrophobicContact CE1-CE2 4.36Å; F20-F44 AromaticContact CE1-CG 3.84Å; F20-F44 HydrophobicContact CE1-CG 3.84Å; F20-F44 HydrophobicContact CZ-CD2 4.23Å; F20-F44 HydrophobicContact CZ-CG 4.49Å; F20-V46 HydrophobicContact CD1-CG1 4.13Å; F20-V46 HydrophobicContact CE1-CG1 4.08Å; F20-I64 HydrophobicContact CB-CD1 3.58Å; F20-I64 HydrophobicContact CD1-CD1 3.69Å; F20-I64 HydrophobicContact CD2-CD1 3.38Å; F20-I64 HydrophobicContact CE1-CD1 4.15Å; F20-I64 HydrophobicContact CE2-CD1 3.89Å; F20-I64 HydrophobicContact CG-CD1 3.27Å; F20-I64 HydrophobicContact CZ-CD1 4.24Å |
| 21 | V | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.9 | 165.2 | 173.3 | 0 | 0 | 0 | 0 | 107.5 | A8 F9 L11 I23 | A8-V21 WeakPolarHBondContact CA-O 3.45Å; A8-V21 WeakPolarHBondContact CB-O 3.2Å; F9-V21 HydrophobicContact CD1-CB 4.22Å; F9-V21 HydrophobicContact CE1-CB 3.6Å; F9-V21 HydrophobicContact CE1-CG1 3.87Å; F9-V21 HydrophobicContact CE1-CG2 4.3Å; F9-V21 HydrophobicContact CZ-CB 3.86Å; F9-V21 HydrophobicContact CZ-CG1 4.35Å; F9-V21 HydrophobicContact CZ-CG2 4.05Å; F9-V21 PolarHBondContact N-O 3.28Å; F9-V21 PolarHBondContact O-N 2.86Å; L11-V21 HydrophobicContact CB-CG2 4.01Å; L11-V21 HydrophobicContact CD2-CG2 3.88Å; L11-V21 HydrophobicContact CG-CG2 4.47Å; V21-I23 PolarHBondContact O-N 2.69Å |
| 22 | I | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 115.1 | 173.9 | -52.6 | -50.8 | 0 | 0 | 0 | 107 | A8 D24 K25 G26 F27 A29 V46 Y48 | A8-I22 HydrophobicContact CB-CD1 3.83Å; I22-D24 WeakPolarHBondContact CG2-OD1 3.49Å; I22-K25 HydrophobicContact CB-CB 4.29Å; I22-K25 HydrophobicContact CG2-CB 3.94Å; I22-K25 HydrophobicContact CG2-CG 3.92Å; I22-K25 PolarHBondContact O-N 3.21Å; I22-G26 WeakPolarHBondContact O-CA 3.33Å; I22-G26 PolarHBondContact O-N 2.85Å; I22-F27 HydrophobicContact CB-CE2 4.12Å; I22-F27 HydrophobicContact CB-CZ 4.14Å; I22-F27 HydrophobicContact CG1-CD2 4Å; I22-F27 HydrophobicContact CG1-CE2 3.39Å; I22-F27 HydrophobicContact CG1-CZ 3.75Å; I22-F27 HydrophobicContact CG2-CZ 4.38Å; I22-F27 PolarHBondContact N-O 3.32Å; I22-A29 HydrophobicContact CD1-CB 4.2Å; I22-A29 HydrophobicContact CG1-CB 4.37Å; I22-V46 HydrophobicContact CD1-CG2 3.53Å; I22-Y48 HydrophobicContact CD1-CD1 3.99Å; I22-Y48 HydrophobicContact CD1-CE1 4.37Å; I22-Y48 HydrophobicContact CG1-CD1 4.2Å; I22-Y48 HydrophobicContact CG1-CE1 4.23Å; I22-Y48 HydrophobicContact CG2-CE1 4.09Å |
| 23 | I | 92.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -45.6 | -160.3 | -65.4 | 168.3 | 0 | 0 | 0 | 111.6 | R7 F9 V21 K25 F43 L73 E111 F112 F147 | R7-I23 HydrophobicContact CB-CD1 4.25Å; R7-I23 PolarHBondContact O-N 3.06Å; F9-I23 HydrophobicContact CD1-CD1 4.1Å; F9-I23 HydrophobicContact CD1-CG1 3.87Å; F9-I23 HydrophobicContact CE1-CG1 4.39Å; V21-I23 PolarHBondContact O-N 2.69Å; I23-K25 VanDerWaalsContact C-N 3.28Å; I23-K25 PolarHBondContact O-N 2.8Å; I23-F43 HydrophobicContact CD1-CD1 4.2Å; I23-F43 HydrophobicContact CD1-CE1 4.1Å; I23-L73 HydrophobicContact CD1-CD1 3.81Å; I23-E111 WeakPolarHBondContact CG2-O 3.42Å; I23-F112 HydrophobicContact CD1-CE1 4.28Å; I23-F112 HydrophobicContact CG2-CB 4.39Å; I23-F112 HydrophobicContact CG2-CD1 3.99Å; I23-F112 HydrophobicContact CG2-CG 4.41Å; I23-F147 HydrophobicContact CG2-CE2 4.25Å; I23-F147 HydrophobicContact CG2-CZ 4.26Å |
| 24 | D | 83.1 | Confident | 89.7 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -12.6 | -178.7 | 68.3 | -53.9 | 0 | 0 | 0 | 113.9 | I22 | I22-D24 WeakPolarHBondContact CG2-OD1 3.49Š|
| 25 | K | 86.7 | Confident | 89.5 | Confident | 107 Ų | 107 | 56.6 Ų | 56.6 | 47% | 0.465 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -13 | -178.8 | -56.3 | -61.8 | -173 | -104.5 | 0 | 114.1 | I22 I23 F27 | I22-K25 HydrophobicContact CB-CB 4.29Å; I22-K25 HydrophobicContact CG2-CB 3.94Å; I22-K25 HydrophobicContact CG2-CG 3.92Å; I22-K25 PolarHBondContact O-N 3.21Å; I23-K25 VanDerWaalsContact C-N 3.28Å; I23-K25 PolarHBondContact O-N 2.8Å; K25-F27 HydrophobicContact CB-CD1 3.51Å; K25-F27 HydrophobicContact CB-CE1 3.32Å; K25-F27 HydrophobicContact CB-CZ 4.23Å; K25-F27 HydrophobicContact CG-CD1 4.49Å; K25-F27 HydrophobicContact CG-CE1 3.83Å; K25-F27 PolarHBondContact O-N 2.65Å |
| 26 | G | 86.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | trans | 69.6 | -20.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | I22 S145 | I22-G26 WeakPolarHBondContact O-CA 3.33Å; I22-G26 PolarHBondContact O-N 2.85Å; G26-S145 WeakPolarHBondContact O-CA 3.16Å; G26-S145 WeakPolarHBondContact O-CB 3.37Å; G26-S145 PolarHBondContact O-N 2.81Å; G26-S145 PolarHBondContact O-OG 2.86Å | ||
| 27 | F | 90.2 | Very high | 89.3 | Confident | 28 Ų | 28 | 55 Ų | 55 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 163.3 | -177.9 | 68.3 | -104.6 | 0 | 0 | 0 | 113.2 | I22 K25 Y48 H62 Y143 L144 | I22-F27 HydrophobicContact CB-CE2 4.12Å; I22-F27 HydrophobicContact CB-CZ 4.14Å; I22-F27 HydrophobicContact CG1-CD2 4Å; I22-F27 HydrophobicContact CG1-CE2 3.39Å; I22-F27 HydrophobicContact CG1-CZ 3.75Å; I22-F27 HydrophobicContact CG2-CZ 4.38Å; I22-F27 PolarHBondContact N-O 3.32Å; K25-F27 HydrophobicContact CB-CD1 3.51Å; K25-F27 HydrophobicContact CB-CE1 3.32Å; K25-F27 HydrophobicContact CB-CZ 4.23Å; K25-F27 HydrophobicContact CG-CD1 4.49Å; K25-F27 HydrophobicContact CG-CE1 3.83Å; K25-F27 PolarHBondContact O-N 2.65Å; F27-Y48 HydrophobicContact CE1-CE2 4.46Å; F27-Y48 HydrophobicContact CE2-CD2 4.35Å; F27-Y48 HydrophobicContact CE2-CE2 4.28Å; F27-Y48 HydrophobicContact CZ-CD2 4.04Å; F27-Y48 HydrophobicContact CZ-CE1 4.06Å; F27-Y48 AromaticContact CZ-CE2 3.54Å; F27-Y48 HydrophobicContact CZ-CE2 3.54Å; F27-Y48 AromaticContact CZ-CZ 3.55Å; F27-H62 HydrophobicContact CD2-CB 4.43Å; F27-H62 AromaticContact CD2-CE1 3.78Å; F27-H62 AromaticContact CD2-CG 3.95Å; F27-H62 AromaticContact CD2-ND1 3.24Å; F27-H62 WeakPolarHBondContact CD2-ND1 3.41Å; F27-H62 HydrophobicContact CE2-CB 3.95Å; F27-H62 AromaticContact CE2-CE1 3.73Å; F27-H62 AromaticContact CE2-CG 3.52Å; F27-H62 AromaticContact CE2-ND1 3.25Å; F27-H62 WeakPolarHBondContact CE2-ND1 3.3Å; F27-H62 AromaticContact CG-ND1 3.92Å; F27-H62 AromaticContact CZ-CE1 3.94Å; F27-H62 AromaticContact CZ-ND1 3.91Å; F27-Y143 WeakPolarHBondContact CA-O 3.5Å; F27-L144 HydrophobicContact CB-CD2 4.24Å |
| 28 | S | 91.7 | Very high | 89.4 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142.4 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | F20 A60 | F20-S28 CarbonylContact O-C 3.6Å; F20-S28 VanDerWaalsContact O-CA 3.23Å; F20-S28 WeakPolarHBondContact O-CA 3.35Å; S28-A60 WeakPolarHBondContact O-CA 3.44Å |
| 29 | A | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 150.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F20 I22 H62 I64 | F20-A29 PolarHBondContact N-O 3.25Å; F20-A29 PolarHBondContact O-N 3.09Å; I22-A29 HydrophobicContact CD1-CB 4.2Å; I22-A29 HydrophobicContact CG1-CB 4.37Å; A29-H62 CarbonylContact C-O 3.58Å; A29-H62 VanDerWaalsContact CA-O 3.31Å; A29-H62 WeakPolarHBondContact CA-O 3.36Å; A29-H62 HydrophobicContact CB-CB 3.88Å; A29-I64 HydrophobicContact CB-CD1 4.18Å; A29-I64 HydrophobicContact CB-CG1 3.96Å |
| 30 | I | 94.3 | Very high | 89.3 | Confident | 25 Ų | 25 | 57 Ų | 57 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135 | 179.9 | -68.4 | 162.6 | 0 | 0 | 0 | 110.2 | L17 Y18 F19 A60 H62 T63 I64 | L17-I30 HydrophobicContact CB-CG2 4.28Å; L17-I30 HydrophobicContact CD2-CG2 3.92Å; Y18-I30 WeakPolarHBondContact O-CA 3.32Å; F19-I30 HydrophobicContact CD1-CG1 3.92Å; F19-I30 HydrophobicContact CE1-CD1 3.91Å; F19-I30 HydrophobicContact CE1-CG1 3.7Å; F19-I30 HydrophobicContact CZ-CD1 4.48Å; F19-I30 HydrophobicContact CZ-CG1 4.38Å; I30-A60 HydrophobicContact CD1-CB 3.78Å; I30-A60 HydrophobicContact CG1-CB 3.71Å; I30-H62 PolarHBondContact N-O 2.96Å; I30-T63 CarbonylContact O-C 3.47Å; I30-T63 WeakPolarHBondContact O-CA 3.2Å; I30-I64 PolarHBondContact O-N 2.97Å |
| 31 | L | 93.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.9 | 160.5 | -179.9 | 59 | 0 | 0 | 0 | 108.4 | Y18 F20 P34 V38 I64 Y67 | Y18-L31 PolarHBondContact N-O 2.88Å; Y18-L31 PolarHBondContact O-N 3Å; F20-L31 HydrophobicContact CD2-CB 4.13Å; F20-L31 HydrophobicContact CE2-CB 3.64Å; F20-L31 HydrophobicContact CE2-CD2 3.78Å; F20-L31 HydrophobicContact CE2-CG 4.39Å; F20-L31 HydrophobicContact CZ-CB 4.48Å; F20-L31 HydrophobicContact CZ-CD2 3.86Å; L31-P34 HydrophobicContact CD2-CB 3.88Å; L31-P34 HydrophobicContact CG-CB 4.21Å; L31-V38 HydrophobicContact CD2-CG2 4.11Å; L31-I64 HydrophobicContact CB-CB 4.19Å; L31-I64 HydrophobicContact CB-CD1 4.24Å; L31-I64 HydrophobicContact CD1-CB 4.2Å; L31-I64 HydrophobicContact CD1-CG2 4.07Å; L31-Y67 HydrophobicContact CD1-CD1 4.03Å; L31-Y67 HydrophobicContact CD1-CE1 3.94Å; L31-Y67 HydrophobicContact CD2-CD1 3.67Å; L31-Y67 HydrophobicContact CD2-CD2 4.42Å; L31-Y67 HydrophobicContact CD2-CE1 3.66Å; L31-Y67 HydrophobicContact CD2-CE2 4.39Å; L31-Y67 HydrophobicContact CD2-CG 4.09Å; L31-Y67 HydrophobicContact CG-CE1 4.42Å |
| 32 | N | 89.3 | Confident | 89.2 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.8 | 175.4 | -175.5 | 29.7 | 0 | 0 | 0 | 109.5 | L17 | L17-N32 HydrophobicContact CD2-CB 3.72Å; L17-N32 WeakPolarHBondContact CD2-OD1 3.38Å |
| 33 | D | 83 | Confident | 89.3 | Confident | 117 Ų | 117 | 58.5 Ų | 58.5 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 48.2 | 67.4 | 173.2 | -151.9 | 29.1 | 0 | 0 | 0 | 114.4 | N16 R35 | N16-D33 PolarHBondContact O-N 2.83Å; D33-R35 PolarHBondContact O-N 2.96Å |
| 34 | P | 84.3 | Confident | 89.5 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -69.3 | 133 | -173.9 | 31.1 | -36.8 | 0 | 0 | 0 | 112 | Y18 L31 E36 V38 Y67 | Y18-P34 HydrophobicContact CD2-CG 3.89Å; Y18-P34 HydrophobicContact CE2-CG 3.43Å; Y18-P34 VanDerWaalsContact CE2-CG 3.43Å; L31-P34 HydrophobicContact CD2-CB 3.88Å; L31-P34 HydrophobicContact CG-CB 4.21Å; P34-E36 WeakPolarHBondContact CB-O 3.36Å; P34-E36 PolarHBondContact O-N 2.86Å; P34-V38 HydrophobicContact CB-CG2 3.76Å; P34-V38 HydrophobicContact CG-CB 4.4Å; P34-V38 HydrophobicContact CG-CG2 4.06Å; P34-Y67 WeakPolarHBondContact CB-OH 3.4Å | ||
| 35 | R | 80.8 | Confident | 90.1 | Very high | 244 Ų | 244 | 56.2 Ų | 56.2 | 92% | 0.921 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -58 | -29.4 | 173.8 | -61 | -178.9 | -177.4 | 175.9 | 1.2 | 114.2 | D33 Y67 | D33-R35 PolarHBondContact O-N 2.96Å; R35-Y67 PolarHBondContact N-OH 2.91Å; R35-Y67 VanDerWaalsContact N-OH 3.09Å |
| 36 | E | 83.5 | Confident | 90.5 | Very high | 115 Ų | 115 | 51.1 Ų | 51.1 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -119.6 | 154.2 | -180 | -70.5 | 179.9 | -167.2 | 0 | 0 | 110.5 | P34 V38 Y67 | P34-E36 WeakPolarHBondContact CB-O 3.36Å; P34-E36 PolarHBondContact O-N 2.86Å; E36-V38 PolarHBondContact O-N 2.81Å; E36-V38 VanDerWaalsContact O-N 3.16Å; E36-Y67 HydrophobicContact CB-CE2 4.31Å; E36-Y67 PolarHBondContact N-OH 2.99Å |
| 37 | P | 82.9 | Confident | 90.8 | Very high | 135 Ų | 135 | 51.6 Ų | 51.6 | 88% | 0.877 | 26% | 0.262 | S | S | * | . | trans | -65.6 | 115.9 | -179.3 | 25.9 | -33.9 | 0 | 0 | 0 | 111.8 | ||||
| 38 | V | 91.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | trans | -100.2 | 128.5 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | V10 Y18 F20 L31 P34 E36 F44 Y67 | V10-V38 HydrophobicContact CG1-CG1 4.27Å; V10-V38 HydrophobicContact CG2-CG1 3.48Å; V10-V38 VanDerWaalsContact CG2-CG1 3.48Å; Y18-V38 HydrophobicContact CD1-CB 4.02Å; Y18-V38 HydrophobicContact CD1-CG1 3.63Å; Y18-V38 HydrophobicContact CE1-CB 3.89Å; Y18-V38 HydrophobicContact CE1-CG1 3.95Å; Y18-V38 WeakPolarHBondContact CE1-O 3.27Å; Y18-V38 HydrophobicContact CG-CB 4.4Å; Y18-V38 HydrophobicContact CG-CG1 4.09Å; F20-V38 HydrophobicContact CE2-CG1 4.27Å; F20-V38 HydrophobicContact CZ-CG1 3.93Å; L31-V38 HydrophobicContact CD2-CG2 4.11Å; P34-V38 HydrophobicContact CB-CG2 3.76Å; P34-V38 HydrophobicContact CG-CB 4.4Å; P34-V38 HydrophobicContact CG-CG2 4.06Å; E36-V38 PolarHBondContact O-N 2.81Å; E36-V38 VanDerWaalsContact O-N 3.16Å; V38-F44 HydrophobicContact CB-CZ 4.47Å; V38-F44 HydrophobicContact CG1-CE2 4.12Å; V38-F44 HydrophobicContact CG1-CZ 4.08Å; V38-F44 HydrophobicContact CG2-CE1 4.49Å; V38-F44 HydrophobicContact CG2-CZ 4.28Å; V38-Y67 HydrophobicContact CG2-CE2 3.99Å | ||
| 39 | Q | 90.7 | Very high | 90.9 | Very high | 140 Ų | 140 | 57.5 Ų | 57.5 | 65% | 0.654 | 29% | 0.289 | S | S | * | . | trans | -104.3 | 138.8 | 179.1 | -173.1 | 175.2 | -12.6 | 0 | 0 | 111.2 | V10 G42 | V10-Q39 WeakPolarHBondContact CB-O 3.4Å; V10-Q39 WeakPolarHBondContact CG2-O 3.06Å; Q39-G42 PolarHBondContact O-N 2.89Å | ||
| 40 | V | 92.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 63.8 Ų | 63.8 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 132.9 | 171.1 | 178 | 0 | 0 | 0 | 0 | 109.4 | V10 K13 G42 L78 T86 V88 | V10-V40 HydrophobicContact CG1-CB 4.48Å; V10-V40 HydrophobicContact CG1-CG2 4.22Å; K13-V40 HydrophobicContact CB-CG2 3.89Å; V40-G42 VanDerWaalsContact C-N 3.29Å; V40-L78 HydrophobicContact CG1-CD2 4.22Å; V40-T86 HydrophobicContact CG1-CG2 4.1Å; V40-V88 HydrophobicContact CG1-CG2 3.62Å |
| 41 | G | 93.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -8.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115 | V10 | V10-G41 PolarHBondContact O-N 2.92Š|
| 42 | G | 94.7 | Very high | 89.6 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | trans | -70.6 | 146.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F9 V10 Q39 V40 | F9-G42 VanDerWaalsContact CA-O 3.3Å; F9-G42 WeakPolarHBondContact CA-O 3.35Å; V10-G42 PolarHBondContact N-O 2.86Å; Q39-G42 PolarHBondContact O-N 2.89Å; V40-G42 VanDerWaalsContact C-N 3.29Å | ||
| 43 | F | 96.5 | Very high | 89.1 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.6 | 177.1 | -71.6 | -93.1 | 0 | 0 | 0 | 111.7 | A8 F9 I23 I70 P72 L73 A74 V76 M90 F112 | A8-F43 WeakPolarHBondContact O-CA 3.45Å; F9-F43 HydrophobicContact CB-CD1 3.73Å; F9-F43 HydrophobicContact CB-CE1 3.74Å; F9-F43 HydrophobicContact CB-CG 4.23Å; F9-F43 HydrophobicContact CB-CZ 4.27Å; F9-F43 HydrophobicContact CG-CE1 4.37Å; I23-F43 HydrophobicContact CD1-CD1 4.2Å; I23-F43 HydrophobicContact CD1-CE1 4.1Å; F43-I70 HydrophobicContact CB-CD1 4.2Å; F43-I70 HydrophobicContact CB-CG1 3.73Å; F43-I70 PolarHBondContact O-N 3.46Å; F43-P72 HydrophobicContact CD2-CB 3.88Å; F43-P72 HydrophobicContact CE2-CB 4.15Å; F43-L73 HydrophobicContact CD1-CB 3.96Å; F43-L73 HydrophobicContact CD1-CD1 3.83Å; F43-L73 HydrophobicContact CD1-CG 3.69Å; F43-L73 HydrophobicContact CE1-CB 3.73Å; F43-L73 HydrophobicContact CE1-CD1 4.08Å; F43-L73 HydrophobicContact CE1-CG 3.98Å; F43-L73 HydrophobicContact CG-CG 4.3Å; F43-L73 HydrophobicContact CZ-CB 4.19Å; F43-A74 HydrophobicContact CZ-CB 4.23Å; F43-V76 HydrophobicContact CD2-CG2 4.49Å; F43-V76 HydrophobicContact CE2-CG2 3.66Å; F43-M90 HydrophobicContact CZ-SD 3.81Å; F43-F112 AromaticContact CE1-CE1 3.93Å; F43-F112 HydrophobicContact CE1-CE1 3.93Å; F43-F112 AromaticContact CE1-CZ 3.72Å; F43-F112 HydrophobicContact CE1-CZ 3.72Å; F43-F112 HydrophobicContact CZ-CE1 4.23Å; F43-F112 AromaticContact CZ-CZ 3.79Å; F43-F112 HydrophobicContact CZ-CZ 3.79Å |
| 44 | F | 96.1 | Very high | 88.9 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 7% | 0.066 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.6 | -175.9 | -64.5 | -97.2 | 0 | 0 | 0 | 110.7 | A8 V10 F20 V38 V46 Y67 R68 P69 | A8-F44 PolarHBondContact N-O 2.98Å; A8-F44 PolarHBondContact O-N 2.84Å; A8-F44 VanDerWaalsContact O-O 3.04Å; V10-F44 HydrophobicContact CG2-CD2 3.87Å; V10-F44 HydrophobicContact CG2-CE2 3.6Å; F20-F44 HydrophobicContact CE1-CB 3.96Å; F20-F44 AromaticContact CE1-CD2 3.64Å; F20-F44 HydrophobicContact CE1-CD2 3.64Å; F20-F44 HydrophobicContact CE1-CE2 4.36Å; F20-F44 AromaticContact CE1-CG 3.84Å; F20-F44 HydrophobicContact CE1-CG 3.84Å; F20-F44 HydrophobicContact CZ-CD2 4.23Å; F20-F44 HydrophobicContact CZ-CG 4.49Å; V38-F44 HydrophobicContact CB-CZ 4.47Å; V38-F44 HydrophobicContact CG1-CE2 4.12Å; V38-F44 HydrophobicContact CG1-CZ 4.08Å; V38-F44 HydrophobicContact CG2-CE1 4.49Å; V38-F44 HydrophobicContact CG2-CZ 4.28Å; F44-V46 HydrophobicContact CB-CG1 3.99Å; F44-Y67 AromaticContact CD1-CD2 3.96Å; F44-Y67 HydrophobicContact CD1-CD2 3.96Å; F44-Y67 HydrophobicContact CE1-CD2 4.09Å; F44-R68 CarbonylContact C-O 3.59Å; F44-R68 WeakPolarHBondContact CA-O 3.29Å; F44-R68 WeakPolarHBondContact CB-O 3.23Å; F44-P69 HydrophobicContact CD1-CB 4.17Å; F44-P69 HydrophobicContact CE1-CB 3.95Å |
| 45 | E | 95.8 | Very high | 88.7 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.4 | 153.8 | -80.8 | 175 | 159 | 0 | 0 | 108.6 | W5 S6 R7 Y67 R68 I70 | W5-E45 HydrophobicContact CB-CB 4.35Å; W5-E45 HydrophobicContact CD2-CB 4.47Å; W5-E45 HydrophobicContact CE3-CB 3.78Å; W5-E45 HydrophobicContact CZ3-CB 4.5Å; W5-E45 WeakPolarHBondContact CZ3-O 3.45Å; S6-E45 CarbonylContact O-C 3.59Å; S6-E45 WeakPolarHBondContact O-CA 3.32Å; R7-E45 HydrophobicContact CG-CG 4.32Å; E45-Y67 CarbonylContact O-C 3.51Å; E45-Y67 VanDerWaalsContact O-CA 3.26Å; E45-Y67 WeakPolarHBondContact O-CA 3.41Å; E45-R68 HydrophobicContact CB-CG 3.98Å; E45-R68 PolarHBondContact N-O 2.98Å; E45-R68 PolarHBondContact O-N 3.16Å; E45-R68 IonicContact OE2-CZ 3.76Å; E45-R68 IonicContact OE2-NE 3.93Å; E45-R68 PolarHBondContact OE2-NE 2.66Å; E45-R68 IonicContact OE2-NH2 2.66Å; E45-R68 PolarHBondContact OE2-NH2 2.9Å; E45-I70 HydrophobicContact CB-CG2 4.21Å; E45-I70 HydrophobicContact CG-CD1 4.4Å; E45-I70 HydrophobicContact CG-CG2 3.81Å |
| 46 | V | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.7 | -174.6 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | S6 A8 F20 I22 F44 Y48 I64 Q66 | S6-V46 PolarHBondContact N-O 3.33Å; S6-V46 PolarHBondContact O-N 2.87Å; A8-V46 HydrophobicContact CB-CG1 4.16Å; A8-V46 HydrophobicContact CB-CG2 3.8Å; F20-V46 HydrophobicContact CD1-CG1 4.13Å; F20-V46 HydrophobicContact CE1-CG1 4.08Å; I22-V46 HydrophobicContact CD1-CG2 3.53Å; F44-V46 HydrophobicContact CB-CG1 3.99Å; V46-Y48 HydrophobicContact CG2-CD1 4.35Å; V46-I64 HydrophobicContact CB-CD1 4.39Å; V46-I64 HydrophobicContact CB-CG1 4.31Å; V46-I64 HydrophobicContact CB-CG2 4.18Å; V46-I64 HydrophobicContact CG1-CD1 4.08Å; V46-I64 HydrophobicContact CG1-CG2 4.28Å; V46-I64 HydrophobicContact CG2-CG1 4.49Å; V46-Q66 CarbonylContact C-O 3.57Å; V46-Q66 VanDerWaalsContact CA-O 3.32Å; V46-Q66 WeakPolarHBondContact CA-O 3.33Å |
| 47 | I | 93.6 | Very high | 88 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.5 | 163.3 | -59.2 | 176.3 | 0 | 0 | 0 | 107.3 | W5 T65 Q66 | W5-I47 HydrophobicContact CD2-CD1 4.1Å; W5-I47 HydrophobicContact CD2-CG1 3.88Å; W5-I47 HydrophobicContact CE3-CD1 4.5Å; W5-I47 HydrophobicContact CE3-CG1 3.95Å; W5-I47 HydrophobicContact CG-CG1 4.33Å; W5-I47 HydrophobicContact CH2-CD1 4.39Å; W5-I47 HydrophobicContact CZ2-CD1 3.94Å; W5-I47 HydrophobicContact CZ2-CG1 4.4Å; W5-I47 HydrophobicContact CZ3-CG1 4.28Å; I47-T65 PolarHBondContact O-N 2.99Å; I47-T65 PolarHBondContact O-OG1 3.02Å; I47-Q66 HydrophobicContact CB-CB 4.18Å; I47-Q66 HydrophobicContact CD1-CB 4.4Å; I47-Q66 HydrophobicContact CG1-CB 4.46Å; I47-Q66 PolarHBondContact N-O 3.43Å; I47-Q66 PolarHBondContact O-N 2.97Å |
| 48 | Y | 92.9 | Very high | 87.9 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 161.4 | -177.5 | 60.4 | -96 | 0 | 0 | 0 | 111.7 | I22 F27 V46 H62 T63 | I22-Y48 HydrophobicContact CD1-CD1 3.99Å; I22-Y48 HydrophobicContact CD1-CE1 4.37Å; I22-Y48 HydrophobicContact CG1-CD1 4.2Å; I22-Y48 HydrophobicContact CG1-CE1 4.23Å; I22-Y48 HydrophobicContact CG2-CE1 4.09Å; F27-Y48 HydrophobicContact CE1-CE2 4.46Å; F27-Y48 HydrophobicContact CE2-CD2 4.35Å; F27-Y48 HydrophobicContact CE2-CE2 4.28Å; F27-Y48 HydrophobicContact CZ-CD2 4.04Å; F27-Y48 HydrophobicContact CZ-CE1 4.06Å; F27-Y48 AromaticContact CZ-CE2 3.54Å; F27-Y48 HydrophobicContact CZ-CE2 3.54Å; F27-Y48 AromaticContact CZ-CZ 3.55Å; V46-Y48 HydrophobicContact CG2-CD1 4.35Å; Y48-H62 HydrophobicContact CD2-CB 4.39Å; Y48-H62 AromaticContact CD2-CD2 3.84Å; Y48-T63 CarbonylContact C-O 3.57Å; Y48-T63 VanDerWaalsContact CA-O 3.27Å; Y48-T63 WeakPolarHBondContact CA-O 3.39Å |
| 49 | I | 91.3 | Very high | 87.4 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 157.5 | 169.8 | 61.8 | 178 | 0 | 0 | 0 | 109.6 | H62 T63 T65 | I49-H62 CarbonylContact O-C 3.48Å; I49-H62 VanDerWaalsContact O-CA 3.24Å; I49-H62 WeakPolarHBondContact O-CA 3.23Å; I49-H62 WeakPolarHBondContact O-CB 3.19Å; I49-T63 PolarHBondContact N-O 3.01Å; I49-T63 PolarHBondContact O-N 3.19Å; I49-T65 HydrophobicContact CB-CG2 4.47Å; I49-T65 HydrophobicContact CD1-CG2 3.88Å; I49-T65 HydrophobicContact CG1-CG2 3.8Å; I49-T65 HydrophobicContact CG2-CG2 4.04Å |
| 50 | K | 88.2 | Confident | 87.2 | Confident | 132 Ų | 132 | 63.1 Ų | 63.1 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 139.6 | 168.5 | -169.3 | -179.4 | 177.8 | -171.3 | 0 | 109.2 | ||
| 51 | N | 85.4 | Confident | 87 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | trans | -96.6 | 100.4 | 176.3 | -179.9 | 13.9 | 0 | 0 | 0 | 109.5 | N53 A54 Q61 | N51-N53 PolarHBondContact O-N 3.07Å; N51-N53 VanDerWaalsContact O-N 3.11Å; N51-N53 PolarHBondContact OD1-N 3.1Å; N51-N53 VanDerWaalsContact OD1-N 3.15Å; N51-A54 HydrophobicContact CB-CB 4.06Å; N51-A54 VanDerWaalsContact O-CB 3.27Å; N51-A54 WeakPolarHBondContact O-CB 3.31Å; N51-A54 PolarHBondContact O-N 3.42Å; N51-Q61 PolarHBondContact N-O 3.45Å | ||
| 52 | D | 79.8 | Confident | 86.9 | Confident | 140 Ų | 140 | 65.1 Ų | 65.1 | 75% | 0.749 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -11.1 | -179.9 | -58 | -42.9 | 0 | 0 | 0 | 113.6 | ||
| 53 | N | 79.1 | Confident | 86.9 | Confident | 144 Ų | 144 | 66.2 Ų | 66.2 | 77% | 0.77 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 0.7 | 172.8 | -55.8 | -71.9 | 0 | 0 | 0 | 113.2 | N51 | N51-N53 PolarHBondContact O-N 3.07Å; N51-N53 VanDerWaalsContact O-N 3.11Å; N51-N53 PolarHBondContact OD1-N 3.1Å; N51-N53 VanDerWaalsContact OD1-N 3.15Å |
| 54 | A | 79 | Confident | 86.8 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | trans | -70.1 | 132.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | N51 | N51-A54 HydrophobicContact CB-CB 4.06Å; N51-A54 VanDerWaalsContact O-CB 3.27Å; N51-A54 WeakPolarHBondContact O-CB 3.31Å; N51-A54 PolarHBondContact O-N 3.42Å | ||
| 55 | K | 79.9 | Confident | 86.6 | Confident | 133 Ų | 133 | 69 Ų | 69 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | trans | -79.8 | 158.2 | 174.3 | -60.9 | -176.6 | 178.1 | -174.9 | 0 | 110.6 | D57 Q58 Q61 | K55-D57 VanDerWaalsContact C-N 3.26Å; K55-D57 WeakPolarHBondContact CB-OD1 3.25Å; K55-D57 WeakPolarHBondContact CD-OD1 3.49Å; K55-D57 PolarHBondContact O-N 3.09Å; K55-Q58 HydrophobicContact CB-CG 4.19Å; K55-Q58 VanDerWaalsContact N-OE1 3.12Å; K55-Q58 WeakPolarHBondContact O-CB 3.07Å; K55-Q58 PolarHBondContact O-N 3.01Å; K55-Q61 PolarHBondContact O-NE2 3.04Å | ||
| 56 | E | 74.2 | Confident | 86.5 | Confident | 160 Ų | 160 | 71.8 Ų | 71.8 | 75% | 0.748 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.8 | 180 | -166.1 | 172 | -168.8 | 0 | 0 | 113.1 | Q58 Y143 | E56-Q58 PolarHBondContact O-N 2.73Å; E56-Y143 WeakPolarHBondContact CG-OH 3.43Å; E56-Y143 PolarHBondContact O-OH 2.91Å |
| 57 | D | 75.8 | Confident | 86.5 | Confident | 130 Ų | 130 | 73.8 Ų | 73.8 | 70% | 0.695 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -11.6 | 173.8 | 62.8 | -51.7 | 0 | 0 | 0 | 113.9 | K55 | K55-D57 VanDerWaalsContact C-N 3.26Å; K55-D57 WeakPolarHBondContact CB-OD1 3.25Å; K55-D57 WeakPolarHBondContact CD-OD1 3.49Å; K55-D57 PolarHBondContact O-N 3.09Å |
| 58 | Q | 81 | Confident | 86.5 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | trans | -88.9 | 115.8 | -177.4 | -64.9 | 178.1 | -20.2 | 0 | 0 | 111.6 | K55 E56 A60 Q61 | K55-Q58 HydrophobicContact CB-CG 4.19Å; K55-Q58 VanDerWaalsContact N-OE1 3.12Å; K55-Q58 WeakPolarHBondContact O-CB 3.07Å; K55-Q58 PolarHBondContact O-N 3.01Å; E56-Q58 PolarHBondContact O-N 2.73Å; Q58-A60 PolarHBondContact O-N 3.26Å; Q58-Q61 PolarHBondContact O-NE2 2.8Å | ||
| 59 | R | 81.6 | Confident | 86.6 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 27% | 0.268 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -58 | -31.9 | 177.3 | -174.4 | 165.5 | -173.5 | -105 | -15.4 | 114.2 | N142 L144 S145 | R59-N142 VanDerWaalsContact CD-O 3.28Å; R59-N142 WeakPolarHBondContact CD-O 3.48Å; R59-N142 WeakPolarHBondContact CG-O 2.96Å; R59-N142 PolarHBondContact NE-O 3.12Å; R59-L144 VanDerWaalsContact NH2-C 3.27Å; R59-L144 PolarHBondContact NH2-O 3.48Å; R59-S145 PolarHBondContact NH2-OG 2.87Å |
| 60 | A | 86.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 77.3 Ų | 77.3 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | trans | -97.8 | 97.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | F19 S28 I30 Q58 H62 | F19-A60 HydrophobicContact CD1-CB 4.26Å; F19-A60 HydrophobicContact CE1-CB 4.32Å; S28-A60 WeakPolarHBondContact O-CA 3.44Å; I30-A60 HydrophobicContact CD1-CB 3.78Å; I30-A60 HydrophobicContact CG1-CB 3.71Å; Q58-A60 PolarHBondContact O-N 3.26Å; A60-H62 VanDerWaalsContact C-N 3.35Å | ||
| 61 | Q | 87.6 | Confident | 86.9 | Confident | 35 Ų | 35 | 79.1 Ų | 79.1 | 16% | 0.164 | 39% | 0.393 | C | S | . | . | trans | -89.6 | 5.3 | -176.3 | -68.4 | -69 | -38.4 | 0 | 0 | 113.9 | N51 K55 Q58 Y143 | N51-Q61 PolarHBondContact N-O 3.45Å; K55-Q61 PolarHBondContact O-NE2 3.04Å; Q58-Q61 PolarHBondContact O-NE2 2.8Å; Q61-Y143 HydrophobicContact CG-CD1 4.08Å; Q61-Y143 HydrophobicContact CG-CE1 4.29Å | ||
| 62 | H | 92.3 | Very high | 87.2 | Confident | 37 Ų | 37 | 82 Ų | 82 | 17% | 0.171 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.5 | -173 | -62.1 | 90 | 0 | 0 | 0 | 111.8 | F27 A29 I30 Y48 I49 A60 | F27-H62 HydrophobicContact CD2-CB 4.43Å; F27-H62 AromaticContact CD2-CE1 3.78Å; F27-H62 AromaticContact CD2-CG 3.95Å; F27-H62 AromaticContact CD2-ND1 3.24Å; F27-H62 WeakPolarHBondContact CD2-ND1 3.41Å; F27-H62 HydrophobicContact CE2-CB 3.95Å; F27-H62 AromaticContact CE2-CE1 3.73Å; F27-H62 AromaticContact CE2-CG 3.52Å; F27-H62 AromaticContact CE2-ND1 3.25Å; F27-H62 WeakPolarHBondContact CE2-ND1 3.3Å; F27-H62 AromaticContact CG-ND1 3.92Å; F27-H62 AromaticContact CZ-CE1 3.94Å; F27-H62 AromaticContact CZ-ND1 3.91Å; A29-H62 CarbonylContact C-O 3.58Å; A29-H62 VanDerWaalsContact CA-O 3.31Å; A29-H62 WeakPolarHBondContact CA-O 3.36Å; A29-H62 HydrophobicContact CB-CB 3.88Å; I30-H62 PolarHBondContact N-O 2.96Å; Y48-H62 HydrophobicContact CD2-CB 4.39Å; Y48-H62 AromaticContact CD2-CD2 3.84Å; I49-H62 CarbonylContact O-C 3.48Å; I49-H62 VanDerWaalsContact O-CA 3.24Å; I49-H62 WeakPolarHBondContact O-CA 3.23Å; I49-H62 WeakPolarHBondContact O-CB 3.19Å; A60-H62 VanDerWaalsContact C-N 3.35Å |
| 63 | T | 93.5 | Very high | 87.8 | Confident | 43 Ų | 43 | 77 Ų | 77 | 26% | 0.264 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.8 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | I30 Y48 I49 | I30-T63 CarbonylContact O-C 3.47Å; I30-T63 WeakPolarHBondContact O-CA 3.2Å; Y48-T63 CarbonylContact C-O 3.57Å; Y48-T63 VanDerWaalsContact CA-O 3.27Å; Y48-T63 WeakPolarHBondContact CA-O 3.39Å; I49-T63 PolarHBondContact N-O 3.01Å; I49-T63 PolarHBondContact O-N 3.19Å |
| 64 | I | 94.4 | Very high | 88.5 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131 | 174.7 | -69.2 | 165.2 | 0 | 0 | 0 | 109.4 | F20 A29 I30 L31 V46 Q66 Y67 | F20-I64 HydrophobicContact CB-CD1 3.58Å; F20-I64 HydrophobicContact CD1-CD1 3.69Å; F20-I64 HydrophobicContact CD2-CD1 3.38Å; F20-I64 HydrophobicContact CE1-CD1 4.15Å; F20-I64 HydrophobicContact CE2-CD1 3.89Å; F20-I64 HydrophobicContact CG-CD1 3.27Å; F20-I64 HydrophobicContact CZ-CD1 4.24Å; A29-I64 HydrophobicContact CB-CD1 4.18Å; A29-I64 HydrophobicContact CB-CG1 3.96Å; I30-I64 PolarHBondContact O-N 2.97Å; L31-I64 HydrophobicContact CB-CB 4.19Å; L31-I64 HydrophobicContact CB-CD1 4.24Å; L31-I64 HydrophobicContact CD1-CB 4.2Å; L31-I64 HydrophobicContact CD1-CG2 4.07Å; V46-I64 HydrophobicContact CB-CD1 4.39Å; V46-I64 HydrophobicContact CB-CG1 4.31Å; V46-I64 HydrophobicContact CB-CG2 4.18Å; V46-I64 HydrophobicContact CG1-CD1 4.08Å; V46-I64 HydrophobicContact CG1-CG2 4.28Å; V46-I64 HydrophobicContact CG2-CG1 4.49Å; I64-Q66 WeakPolarHBondContact CG2-O 3.33Å; I64-Y67 HydrophobicContact CG2-CD1 4.25Å |
| 65 | T | 92 | Very high | 89.2 | Confident | 72 Ų | 72 | 75.6 Ų | 75.6 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -31.8 | -178.8 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | I47 I49 | I47-T65 PolarHBondContact O-N 2.99Å; I47-T65 PolarHBondContact O-OG1 3.02Å; I49-T65 HydrophobicContact CB-CG2 4.47Å; I49-T65 HydrophobicContact CD1-CG2 3.88Å; I49-T65 HydrophobicContact CG1-CG2 3.8Å; I49-T65 HydrophobicContact CG2-CG2 4.04Å |
| 66 | Q | 92.9 | Very high | 89.8 | Confident | 97 Ų | 97 | 72.1 Ų | 72.1 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 147.2 | 174.1 | -52.9 | -175.4 | 25.5 | 0 | 0 | 109 | W5 V46 I47 I64 | W5-Q66 HydrophobicContact CH2-CB 4.02Å; W5-Q66 HydrophobicContact CZ3-CB 4.39Å; V46-Q66 CarbonylContact C-O 3.57Å; V46-Q66 VanDerWaalsContact CA-O 3.32Å; V46-Q66 WeakPolarHBondContact CA-O 3.33Å; I47-Q66 HydrophobicContact CB-CB 4.18Å; I47-Q66 HydrophobicContact CD1-CB 4.4Å; I47-Q66 HydrophobicContact CG1-CB 4.46Å; I47-Q66 PolarHBondContact N-O 3.43Å; I47-Q66 PolarHBondContact O-N 2.97Å; I64-Q66 WeakPolarHBondContact CG2-O 3.33Å |
| 67 | Y | 95.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 69.5 Ų | 69.5 | 16% | 0.161 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 152.9 | 176.6 | 60.4 | -81.3 | 0 | 0 | 0 | 109.8 | L31 P34 R35 E36 V38 F44 E45 I64 | L31-Y67 HydrophobicContact CD1-CD1 4.03Å; L31-Y67 HydrophobicContact CD1-CE1 3.94Å; L31-Y67 HydrophobicContact CD2-CD1 3.67Å; L31-Y67 HydrophobicContact CD2-CD2 4.42Å; L31-Y67 HydrophobicContact CD2-CE1 3.66Å; L31-Y67 HydrophobicContact CD2-CE2 4.39Å; L31-Y67 HydrophobicContact CD2-CG 4.09Å; L31-Y67 HydrophobicContact CG-CE1 4.42Å; P34-Y67 WeakPolarHBondContact CB-OH 3.4Å; R35-Y67 PolarHBondContact N-OH 2.91Å; R35-Y67 VanDerWaalsContact N-OH 3.09Å; E36-Y67 HydrophobicContact CB-CE2 4.31Å; E36-Y67 PolarHBondContact N-OH 2.99Å; V38-Y67 HydrophobicContact CG2-CE2 3.99Å; F44-Y67 AromaticContact CD1-CD2 3.96Å; F44-Y67 HydrophobicContact CD1-CD2 3.96Å; F44-Y67 HydrophobicContact CE1-CD2 4.09Å; E45-Y67 CarbonylContact O-C 3.51Å; E45-Y67 VanDerWaalsContact O-CA 3.26Å; E45-Y67 WeakPolarHBondContact O-CA 3.41Å; I64-Y67 HydrophobicContact CG2-CD1 4.25Å |
| 68 | R | 94 | Very high | 91.4 | Very high | 118 Ų | 118 | 67 Ų | 67 | 45% | 0.445 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 139.1 | 169 | 64.2 | -174.1 | -176.7 | -171 | 1.2 | 109.8 | W5 F44 E45 | W5-R68 HydrophobicContact CE3-CG 4.37Å; W5-R68 HydrophobicContact CH2-CG 4.31Å; W5-R68 HydrophobicContact CZ3-CG 3.92Å; F44-R68 CarbonylContact C-O 3.59Å; F44-R68 WeakPolarHBondContact CA-O 3.29Å; F44-R68 WeakPolarHBondContact CB-O 3.23Å; E45-R68 HydrophobicContact CB-CG 3.98Å; E45-R68 PolarHBondContact N-O 2.98Å; E45-R68 PolarHBondContact O-N 3.16Å; E45-R68 IonicContact OE2-CZ 3.76Å; E45-R68 IonicContact OE2-NE 3.93Å; E45-R68 PolarHBondContact OE2-NE 2.66Å; E45-R68 IonicContact OE2-NH2 2.66Å; E45-R68 PolarHBondContact OE2-NH2 2.9Å |
| 69 | P | 94.6 | Very high | 91.5 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 148.8 | 177.1 | 28.4 | -34.5 | 0 | 0 | 0 | 110.7 | F44 | F44-P69 HydrophobicContact CD1-CB 4.17Å; F44-P69 HydrophobicContact CE1-CB 3.95Å |
| 70 | I | 94.6 | Very high | 91.6 | Very high | 46 Ų | 46 | 69 Ų | 69 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | trans | -129.4 | 169.4 | 172.5 | 60.7 | 171.6 | 0 | 0 | 0 | 110.3 | R7 F43 E45 L73 | R7-I70 HydrophobicContact CG-CD1 4.4Å; F43-I70 HydrophobicContact CB-CD1 4.2Å; F43-I70 HydrophobicContact CB-CG1 3.73Å; F43-I70 PolarHBondContact O-N 3.46Å; E45-I70 HydrophobicContact CB-CG2 4.21Å; E45-I70 HydrophobicContact CG-CD1 4.4Å; E45-I70 HydrophobicContact CG-CG2 3.81Å; I70-L73 HydrophobicContact CD1-CD1 4.4Å; I70-L73 HydrophobicContact CD1-CD2 4.24Å; I70-L73 HydrophobicContact CD1-CG 4.37Å | ||
| 71 | E | 92.6 | Very high | 91.1 | Very high | 170 Ų | 170 | 70.7 Ų | 70.7 | 79% | 0.794 | 37% | 0.368 | S | S | * | . | trans | -60.9 | 143.7 | 171.3 | -65.2 | -174.7 | 169.2 | 0 | 0 | 110.8 | L73 | E71-L73 PolarHBondContact O-N 3.24Š| ||
| 72 | P | 91.4 | Very high | 90.6 | Very high | 95 Ų | 95 | 81.3 Ų | 81.3 | 62% | 0.617 | 41% | 0.406 | S | S | * | . | trans | -60.2 | 131 | 180 | -24.1 | 34.2 | 0 | 0 | 0 | 112.8 | F43 A74 | F43-P72 HydrophobicContact CD2-CB 3.88Å; F43-P72 HydrophobicContact CE2-CB 4.15Å; P72-A74 VanDerWaalsContact C-N 3.28Å; P72-A74 WeakPolarHBondContact CB-O 3.27Å | ||
| 73 | L | 91.9 | Very high | 89.8 | Confident | 35 Ų | 35 | 87.5 Ų | 87.5 | 18% | 0.183 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -82.6 | -9.1 | 178 | -51.5 | 178.8 | 0 | 0 | 0 | 112.8 | R7 I23 F43 I70 E71 E111 F112 | R7-L73 HydrophobicContact CB-CD1 4.35Å; I23-L73 HydrophobicContact CD1-CD1 3.81Å; F43-L73 HydrophobicContact CD1-CB 3.96Å; F43-L73 HydrophobicContact CD1-CD1 3.83Å; F43-L73 HydrophobicContact CD1-CG 3.69Å; F43-L73 HydrophobicContact CE1-CB 3.73Å; F43-L73 HydrophobicContact CE1-CD1 4.08Å; F43-L73 HydrophobicContact CE1-CG 3.98Å; F43-L73 HydrophobicContact CG-CG 4.3Å; F43-L73 HydrophobicContact CZ-CB 4.19Å; I70-L73 HydrophobicContact CD1-CD1 4.4Å; I70-L73 HydrophobicContact CD1-CD2 4.24Å; I70-L73 HydrophobicContact CD1-CG 4.37Å; E71-L73 PolarHBondContact O-N 3.24Å; L73-E111 HydrophobicContact CB-CB 4.34Å; L73-F112 HydrophobicContact CB-CE2 3.99Å; L73-F112 HydrophobicContact CB-CZ 3.92Å |
| 74 | A | 93.5 | Very high | 88.9 | Confident | 8 Ų | 8 | 91.9 Ų | 91.9 | 7% | 0.066 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -153.3 | 156.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | F43 P72 M90 T91 F112 | F43-A74 HydrophobicContact CZ-CB 4.23Å; P72-A74 VanDerWaalsContact C-N 3.28Å; P72-A74 WeakPolarHBondContact CB-O 3.27Å; A74-M90 HydrophobicContact CB-CB 4Å; A74-M90 HydrophobicContact CB-CG 4.32Å; A74-T91 VanDerWaalsContact CB-O 3.31Å; A74-T91 WeakPolarHBondContact CB-O 3.48Å; A74-F112 HydrophobicContact CB-CE2 3.86Å; A74-F112 HydrophobicContact CB-CZ 3.7Å |
| 75 | D | 93.4 | Very high | 87.9 | Confident | 123 Ų | 123 | 96.1 Ų | 96.1 | 66% | 0.658 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.8 | 169.2 | -58.2 | -54 | 0 | 0 | 0 | 109.1 | M90 T91 | D75-M90 CarbonylContact O-C 3.51Å; D75-M90 WeakPolarHBondContact O-CA 3.44Å; D75-T91 PolarHBondContact N-O 2.83Å; D75-T91 PolarHBondContact O-N 3.05Å |
| 76 | V | 93.9 | Very high | 87.5 | Confident | 60 Ų | 60 | 95.4 Ų | 95.4 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.7 | -171.9 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | F43 L78 V88 M90 | F43-V76 HydrophobicContact CD2-CG2 4.49Å; F43-V76 HydrophobicContact CE2-CG2 3.66Å; V76-L78 HydrophobicContact CG1-CD2 4.26Å; V76-V88 HydrophobicContact CG1-CG1 3.99Å; V76-M90 HydrophobicContact CG2-CG 4.32Å |
| 77 | E | 92.5 | Very high | 87.2 | Confident | 106 Ų | 106 | 93.9 Ų | 93.9 | 50% | 0.495 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.5 | 170.3 | -174.5 | 172.6 | -161.9 | 0 | 0 | 108.8 | I89 Q132 | E77-I89 HydrophobicContact CB-CB 4.37Å; E77-I89 PolarHBondContact N-O 3.27Å; E77-I89 PolarHBondContact O-N 3.15Å; E77-I89 VanDerWaalsContact O-O 3.06Å; E77-Q132 PolarHBondContact OE2-NE2 3.26Å |
| 78 | L | 90.1 | Very high | 87 | Confident | 78 Ų | 78 | 92.1 Ų | 92.1 | 41% | 0.408 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 106.8 | 176.5 | -62.6 | -177.6 | 0 | 0 | 0 | 108.8 | V40 V76 T86 V88 | V40-L78 HydrophobicContact CG1-CD2 4.22Å; V76-L78 HydrophobicContact CG1-CD2 4.26Å; L78-T86 HydrophobicContact CB-CG2 4.18Å; L78-T86 HydrophobicContact CD1-CG2 4.5Å; L78-T86 HydrophobicContact CD2-CG2 4.08Å; L78-T86 HydrophobicContact CG-CG2 4.48Å; L78-V88 HydrophobicContact CD2-CG2 3.93Å |
| 79 | D | 84.1 | Confident | 87 | Confident | 80 Ų | 80 | 87.7 Ų | 87.7 | 43% | 0.428 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 149 | 173.8 | -174.6 | 26.9 | 0 | 0 | 0 | 110.3 | T86 H87 I89 | D79-T86 CarbonylContact O-C 3.49Å; D79-T86 WeakPolarHBondContact O-CA 3.35Å; D79-H87 HydrophobicContact CB-CB 4.43Å; D79-H87 PolarHBondContact N-O 2.87Å; D79-H87 PolarHBondContact O-N 2.83Å; D79-I89 HydrophobicContact CB-CD1 3.73Å; D79-I89 HydrophobicContact CB-CG1 4.35Å |
| 80 | L | 83.5 | Confident | 87.1 | Confident | 105 Ų | 105 | 83.7 Ų | 83.7 | 55% | 0.55 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114.1 | 176.6 | -76 | 170.2 | 0 | 0 | 0 | 108.6 | ||
| 81 | D | 75.5 | Confident | 87.2 | Confident | 42 Ų | 42 | 82.7 Ų | 82.7 | 23% | 0.225 | 41% | 0.406 | C | S | . | . | trans | -70.9 | 173.3 | 176.8 | 75.7 | 15 | 0 | 0 | 0 | 112.4 | R83 N84 Q85 H87 | D81-R83 PolarHBondContact O-N 2.83Å; D81-R83 VanDerWaalsContact OD1-C 3.31Å; D81-R83 VanDerWaalsContact OD1-CA 3.25Å; D81-R83 WeakPolarHBondContact OD1-CA 3.31Å; D81-R83 VanDerWaalsContact OD1-CB 3.31Å; D81-R83 WeakPolarHBondContact OD1-CB 3.45Å; D81-R83 PolarHBondContact OD1-N 3.04Å; D81-N84 PolarHBondContact O-N 3.42Å; D81-N84 PolarHBondContact OD1-N 2.98Å; D81-Q85 PolarHBondContact N-O 3.35Å; D81-Q85 PolarHBondContact OD1-N 2.9Å; D81-Q85 WeakPolarHBondContact OD2-CB 3.24Å; D81-H87 IonicContact OD2-CD2 3.01Å; D81-H87 IonicContact OD2-CE1 3.02Å; D81-H87 IonicContact OD2-NE2 3.33Å; D81-H87 PolarHBondContact OD2-NE2 2.92Å | ||
| 82 | R | 76.8 | Confident | 87.3 | Confident | 258 Ų | 258 | 75.4 Ų | 75.4 | 97% | 0.974 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -4.3 | 179.3 | -58.6 | -179.3 | -175.1 | 169.5 | 1.6 | 114.3 | ||
| 83 | R | 74.8 | Confident | 87.4 | Confident | 167 Ų | 167 | 73.2 Ų | 73.2 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 11.8 | 176.1 | -58.4 | 177.9 | 176 | -178.1 | -0.8 | 111.6 | D81 Q85 | D81-R83 PolarHBondContact O-N 2.83Å; D81-R83 VanDerWaalsContact OD1-C 3.31Å; D81-R83 VanDerWaalsContact OD1-CA 3.25Å; D81-R83 WeakPolarHBondContact OD1-CA 3.31Å; D81-R83 VanDerWaalsContact OD1-CB 3.31Å; D81-R83 WeakPolarHBondContact OD1-CB 3.45Å; D81-R83 PolarHBondContact OD1-N 3.04Å; R83-Q85 HydrophobicContact CB-CG 4.21Å; R83-Q85 PolarHBondContact O-N 2.81Å |
| 84 | N | 74.8 | Confident | 87.3 | Confident | 135 Ų | 135 | 71.6 Ų | 71.6 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | trans | 57.6 | 26.4 | -173 | -63.9 | -15.7 | 0 | 0 | 0 | 114 | D81 | D81-N84 PolarHBondContact O-N 3.42Å; D81-N84 PolarHBondContact OD1-N 2.98Å | ||
| 85 | Q | 74.6 | Confident | 87.1 | Confident | 96 Ų | 96 | 74.4 Ų | 74.4 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | trans | -82.2 | 131.9 | 170.5 | -52.7 | -173.1 | -0.3 | 0 | 0 | 109.3 | D81 R83 H87 | D81-Q85 PolarHBondContact N-O 3.35Å; D81-Q85 PolarHBondContact OD1-N 2.9Å; D81-Q85 WeakPolarHBondContact OD2-CB 3.24Å; R83-Q85 HydrophobicContact CB-CG 4.21Å; R83-Q85 PolarHBondContact O-N 2.81Å; Q85-H87 PolarHBondContact O-CD2 2.89Å; Q85-H87 VanDerWaalsContact O-CD2 3.27Å | ||
| 86 | T | 83.1 | Confident | 86.8 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 36% | 0.356 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 120.6 | 176.7 | -47.8 | 0 | 0 | 0 | 0 | 110.1 | V40 L78 D79 | V40-T86 HydrophobicContact CG1-CG2 4.1Å; L78-T86 HydrophobicContact CB-CG2 4.18Å; L78-T86 HydrophobicContact CD1-CG2 4.5Å; L78-T86 HydrophobicContact CD2-CG2 4.08Å; L78-T86 HydrophobicContact CG-CG2 4.48Å; D79-T86 CarbonylContact O-C 3.49Å; D79-T86 WeakPolarHBondContact O-CA 3.35Å |
| 87 | H | 85.3 | Confident | 86.4 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 30% | 0.296 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.3 | 172.4 | -65.6 | -89.8 | 0 | 0 | 0 | 109 | D79 D81 Q85 I89 | D79-H87 HydrophobicContact CB-CB 4.43Å; D79-H87 PolarHBondContact N-O 2.87Å; D79-H87 PolarHBondContact O-N 2.83Å; D81-H87 IonicContact OD2-CD2 3.01Å; D81-H87 IonicContact OD2-CE1 3.02Å; D81-H87 IonicContact OD2-NE2 3.33Å; D81-H87 PolarHBondContact OD2-NE2 2.92Å; Q85-H87 PolarHBondContact O-CD2 2.89Å; Q85-H87 VanDerWaalsContact O-CD2 3.27Å; H87-I89 PolarHBondContact O-N 2.61Å |
| 88 | V | 92.6 | Very high | 86 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 110.2 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | F9 L11 V40 V76 L78 M90 | F9-V88 HydrophobicContact CD2-CG1 4.45Å; F9-V88 HydrophobicContact CE2-CG1 4.39Å; L11-V88 WeakPolarHBondContact O-CG2 3.48Å; V40-V88 HydrophobicContact CG1-CG2 3.62Å; V76-V88 HydrophobicContact CG1-CG1 3.99Å; L78-V88 HydrophobicContact CD2-CG2 3.93Å; V88-M90 HydrophobicContact CG1-CE 4.24Å; V88-M90 HydrophobicContact CG1-CG 4.04Å; V88-M90 HydrophobicContact CG1-SD 4.37Å |
| 89 | I | 94.2 | Very high | 85.6 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.6 | 171.7 | -58.8 | -179.2 | 0 | 0 | 0 | 107.2 | E77 D79 H87 Q132 | E77-I89 HydrophobicContact CB-CB 4.37Å; E77-I89 PolarHBondContact N-O 3.27Å; E77-I89 PolarHBondContact O-N 3.15Å; E77-I89 VanDerWaalsContact O-O 3.06Å; D79-I89 HydrophobicContact CB-CD1 3.73Å; D79-I89 HydrophobicContact CB-CG1 4.35Å; H87-I89 PolarHBondContact O-N 2.61Å; I89-Q132 HydrophobicContact CG2-CB 3.83Å; I89-Q132 HydrophobicContact CG2-CG 4.21Å |
| 90 | M | 95.8 | Very high | 85.2 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.2 | -179 | -74.1 | 173.1 | -77.1 | 0 | 0 | 109.8 | F9 F43 A74 D75 V76 V88 F112 Q132 F133 | F9-M90 HydrophobicContact CD2-CE 4.25Å; F9-M90 HydrophobicContact CD2-SD 4.36Å; F9-M90 HydrophobicContact CE1-CE 4.19Å; F9-M90 HydrophobicContact CE2-CE 3.74Å; F9-M90 HydrophobicContact CE2-SD 4.44Å; F9-M90 HydrophobicContact CZ-CE 3.72Å; F43-M90 HydrophobicContact CZ-SD 3.81Å; A74-M90 HydrophobicContact CB-CB 4Å; A74-M90 HydrophobicContact CB-CG 4.32Å; D75-M90 CarbonylContact O-C 3.51Å; D75-M90 WeakPolarHBondContact O-CA 3.44Å; V76-M90 HydrophobicContact CG2-CG 4.32Å; V88-M90 HydrophobicContact CG1-CE 4.24Å; V88-M90 HydrophobicContact CG1-CG 4.04Å; V88-M90 HydrophobicContact CG1-SD 4.37Å; M90-F112 HydrophobicContact SD-CE1 3.94Å; M90-F112 HydrophobicContact SD-CZ 4.21Å; M90-Q132 CarbonylContact O-C 3.58Å; M90-Q132 VanDerWaalsContact O-CA 3.25Å; M90-Q132 WeakPolarHBondContact O-CA 3.16Å; M90-F133 HydrophobicContact CB-CD1 3.94Å; M90-F133 HydrophobicContact CB-CD2 4.48Å; M90-F133 HydrophobicContact CB-CE1 3.33Å; M90-F133 HydrophobicContact CB-CE2 3.98Å; M90-F133 HydrophobicContact CB-CG 4.47Å; M90-F133 HydrophobicContact CB-CZ 3.37Å; M90-F133 HydrophobicContact CE-CD2 4.28Å; M90-F133 HydrophobicContact CE-CE2 3.54Å; M90-F133 HydrophobicContact CE-CZ 3.94Å; M90-F133 HydrophobicContact CG-CZ 4.22Å; M90-F133 PolarHBondContact N-O 2.89Å; M90-F133 WeakPolarHBondContact O-CD1 3.33Å; M90-F133 WeakPolarHBondContact O-CE1 3.38Å; M90-F133 PolarHBondContact O-N 2.84Å; M90-F133 HydrophobicContact SD-CE2 4.14Å; M90-F133 HydrophobicContact SD-CZ 3.9Å |
| 91 | T | 96.1 | Very high | 84.4 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.5 | 173.2 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | A74 D75 V130 F131 I153 | A74-T91 VanDerWaalsContact CB-O 3.31Å; A74-T91 WeakPolarHBondContact CB-O 3.48Å; D75-T91 PolarHBondContact N-O 2.83Å; D75-T91 PolarHBondContact O-N 3.05Å; T91-V130 HydrophobicContact CG2-CG1 4.2Å; T91-F131 WeakPolarHBondContact CA-O 3.21Å; T91-I153 HydrophobicContact CG2-CD1 3.44Å; T91-I153 VanDerWaalsContact CG2-CD1 3.44Å |
| 92 | T | 94.6 | Very high | 83.9 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 179.7 | 177.2 | -161.4 | 0 | 0 | 0 | 0 | 111.6 | N109 F115 F131 F133 | T92-N109 PolarHBondContact OG1-ND2 2.82Å; T92-F115 HydrophobicContact CG2-CE1 3.9Å; T92-F115 HydrophobicContact CG2-CE2 4.49Å; T92-F115 HydrophobicContact CG2-CZ 3.62Å; T92-F131 HydrophobicContact CG2-CE1 4.11Å; T92-F131 HydrophobicContact CG2-CE2 4.31Å; T92-F131 HydrophobicContact CG2-CZ 3.79Å; T92-F131 PolarHBondContact N-O 2.96Å; T92-F131 PolarHBondContact O-N 2.91Å; T92-F131 VanDerWaalsContact O-N 3.09Å; T92-F133 HydrophobicContact CG2-CD1 3.7Å; T92-F133 HydrophobicContact CG2-CE1 3.37Å; T92-F133 HydrophobicContact CG2-CZ 4.28Å |
| 93 | T | 93.3 | Very high | 83.9 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.7 | 172.5 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | N109 V129 V130 | T93-N109 VanDerWaalsContact O-CB 3.25Å; T93-N109 WeakPolarHBondContact O-CB 3.46Å; T93-N109 PolarHBondContact O-ND2 3.15Å; T93-V129 VanDerWaalsContact CA-O 3.23Å; T93-V129 WeakPolarHBondContact CA-O 3.38Å; T93-V130 HydrophobicContact CG2-CB 4.47Å; T93-V130 HydrophobicContact CG2-CG1 4.31Å; T93-V130 HydrophobicContact CG2-CG2 3.97Å |
| 94 | A | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 154 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L107 Y108 N109 F115 V129 F131 | A94-L107 HydrophobicContact CB-CB 3.74Å; A94-L107 HydrophobicContact CB-CD1 4.26Å; A94-Y108 WeakPolarHBondContact CA-O 3.38Å; A94-Y108 WeakPolarHBondContact CB-O 3.23Å; A94-N109 HydrophobicContact CB-CB 4.06Å; A94-F115 HydrophobicContact CB-CD2 4.1Å; A94-F115 HydrophobicContact CB-CE2 4.01Å; A94-V129 PolarHBondContact N-O 3.34Å; A94-V129 PolarHBondContact O-N 2.79Å; A94-F131 HydrophobicContact CB-CE1 3.52Å; A94-F131 HydrophobicContact CB-CZ 3.8Å |
| 95 | R | 89.3 | Confident | 84.8 | Confident | 67 Ų | 67 | 52.2 Ų | 52.2 | 25% | 0.253 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 156.6 | 172.1 | 63.8 | 173.4 | 174.1 | 102.3 | -4.2 | 110.5 | D97 L107 Y108 M158 F166 | R95-D97 PolarHBondContact O-N 2.88Å; R95-L107 CarbonylContact O-C 3.53Å; R95-L107 WeakPolarHBondContact O-CA 3.25Å; R95-L107 WeakPolarHBondContact O-CB 3.43Å; R95-Y108 PolarHBondContact N-O 2.91Å; R95-Y108 PolarHBondContact O-N 2.93Å; R95-M158 HydrophobicContact CB-CE 3.89Å; R95-M158 HydrophobicContact CB-SD 4.24Å; R95-F166 PolarHBondContact NE-O 2.92Å; R95-F166 PolarHBondContact NH2-O 3.45Å |
| 96 | Y | 86.7 | Confident | 85.6 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 135.8 | 164.3 | 178.2 | -95.2 | 0 | 0 | 0 | 110.5 | G98 L99 V105 R125 | Y96-G98 VanDerWaalsContact CE2-O 3.3Å; Y96-G98 WeakPolarHBondContact CE2-O 3.35Å; Y96-G98 PolarHBondContact OH-O 3.19Å; Y96-L99 WeakPolarHBondContact OH-CG 3.12Å; Y96-V105 HydrophobicContact CD2-CG1 3.68Å; Y96-V105 HydrophobicContact CE2-CG1 3.76Å; Y96-V105 HydrophobicContact CE2-CG2 4.25Å; Y96-R125 WeakPolarHBondContact CB-O 3.24Å; Y96-R125 HydrophobicContact CD1-CB 4.18Å; Y96-R125 HydrophobicContact CD2-CB 3.84Å; Y96-R125 HydrophobicContact CD2-CG 3.65Å; Y96-R125 HydrophobicContact CE1-CB 4.48Å; Y96-R125 HydrophobicContact CE2-CB 4.16Å; Y96-R125 HydrophobicContact CE2-CG 3.65Å; Y96-R125 HydrophobicContact CG-CB 3.84Å; Y96-R125 HydrophobicContact CG-CG 4.19Å |
| 97 | D | 84.3 | Confident | 86 | Confident | 50 Ų | 50 | 45.4 Ų | 45.4 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | -45 | -176 | -173.3 | 77.8 | 0 | 0 | 0 | 111.2 | R95 T106 Y108 R168 | R95-D97 PolarHBondContact O-N 2.88Å; D97-T106 PolarHBondContact N-O 3.18Å; D97-T106 PolarHBondContact OD2-OG1 3.37Å; D97-Y108 WeakPolarHBondContact OD1-CB 3.32Å; D97-R168 IonicContact OD1-CZ 3.76Å; D97-R168 IonicContact OD1-NE 3.64Å; D97-R168 IonicContact OD1-NH2 3.12Å; D97-R168 PolarHBondContact OD1-NH2 2.87Å; D97-R168 IonicContact OD2-CZ 3.31Å; D97-R168 IonicContact OD2-NH2 2.61Å; D97-R168 PolarHBondContact OD2-NH2 2.94Å |
| 98 | G | 84 | Confident | 86.1 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -157 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y96 T106 | Y96-G98 VanDerWaalsContact CE2-O 3.3Å; Y96-G98 WeakPolarHBondContact CE2-O 3.35Å; Y96-G98 PolarHBondContact OH-O 3.19Å; G98-T106 WeakPolarHBondContact CA-OG1 3.25Å; G98-T106 PolarHBondContact N-O 2.81Å; G98-T106 PolarHBondContact N-OG1 2.83Å; G98-T106 PolarHBondContact O-N 3.49Å; G98-T106 PolarHBondContact O-OG1 3.04Å |
| 99 | L | 82.1 | Confident | 86 | Confident | 73 Ų | 73 | 43.5 Ų | 43.5 | 38% | 0.382 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.4 | 171.6 | -64.5 | 175.5 | 0 | 0 | 0 | 109.6 | Y96 I104 V105 | Y96-L99 WeakPolarHBondContact OH-CG 3.12Å; L99-I104 CarbonylContact C-O 3.38Å; L99-I104 WeakPolarHBondContact CA-O 3.38Å; L99-V105 HydrophobicContact CD2-CG2 3.81Å |
| 100 | L | 75.4 | Confident | 85.5 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 171.1 | 161.8 | -68.2 | 168.5 | 0 | 0 | 0 | 110.3 | N103 I104 T106 V116 | L100-N103 PolarHBondContact O-N 2.88Å; L100-I104 HydrophobicContact CB-CB 4.38Å; L100-I104 PolarHBondContact N-O 3.02Å; L100-I104 PolarHBondContact O-N 2.81Å; L100-T106 HydrophobicContact CD1-CG2 3.56Å; L100-T106 HydrophobicContact CG-CG2 3.65Å; L100-V116 HydrophobicContact CD1-CG1 4.2Å; L100-V116 HydrophobicContact CD1-CG2 4.39Å |
| 101 | E | 67.8 | Low | 85.2 | Confident | 188 Ų | 188 | 50.2 Ų | 50.2 | 88% | 0.879 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 140.9 | 173.3 | -62.4 | -169.7 | 157.7 | 0 | 0 | 111.6 | ||
| 102 | G | 65.6 | Low | 84.9 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 56% | 0.557 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 14.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I104 R120 | G102-I104 VanDerWaalsContact C-N 3.29Å; G102-I104 PolarHBondContact O-N 2.84Å; G102-R120 PolarHBondContact O-NH2 3.06Å; G102-R120 VanDerWaalsContact O-NH2 3.15Å |
| 103 | N | 75 | Confident | 84.6 | Confident | 115 Ų | 115 | 49.6 Ų | 49.6 | 62% | 0.615 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 33.3 | -179 | -63.6 | -38 | 0 | 0 | 0 | 113.6 | L100 | L100-N103 PolarHBondContact O-N 2.88Š|
| 104 | I | 83.3 | Confident | 84.4 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 20% | 0.195 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 125.1 | 174.6 | -60.8 | 175.1 | 0 | 0 | 0 | 108.1 | L99 L100 G102 V116 M118 | L99-I104 CarbonylContact C-O 3.38Å; L99-I104 WeakPolarHBondContact CA-O 3.38Å; L100-I104 HydrophobicContact CB-CB 4.38Å; L100-I104 PolarHBondContact N-O 3.02Å; L100-I104 PolarHBondContact O-N 2.81Å; G102-I104 VanDerWaalsContact C-N 3.29Å; G102-I104 PolarHBondContact O-N 2.84Å; I104-V116 HydrophobicContact CG2-CG1 3.6Å; I104-M118 HydrophobicContact CD1-SD 4.23Å |
| 105 | V | 87.1 | Confident | 84.5 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 135.8 | -179.9 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | Y96 L99 L107 D117 I122 | Y96-V105 HydrophobicContact CD2-CG1 3.68Å; Y96-V105 HydrophobicContact CE2-CG1 3.76Å; Y96-V105 HydrophobicContact CE2-CG2 4.25Å; L99-V105 HydrophobicContact CD2-CG2 3.81Å; V105-L107 HydrophobicContact CG1-CD2 4.2Å; V105-D117 HydrophobicContact CB-CB 3.97Å; V105-D117 HydrophobicContact CG1-CB 4.46Å; V105-D117 VanDerWaalsContact O-CB 3.28Å; V105-D117 WeakPolarHBondContact O-CB 3.5Å; V105-D117 PolarHBondContact O-N 2.68Å; V105-I122 HydrophobicContact CB-CB 4.47Å; V105-I122 HydrophobicContact CG1-CB 3.98Å; V105-I122 HydrophobicContact CG1-CG1 4.32Å; V105-I122 HydrophobicContact CG1-CG2 4.06Å |
| 106 | T | 90.6 | Very high | 84.7 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.4 | 164.6 | 52 | 0 | 0 | 0 | 0 | 110.9 | D97 G98 L100 F115 | D97-T106 PolarHBondContact N-O 3.18Å; D97-T106 PolarHBondContact OD2-OG1 3.37Å; G98-T106 WeakPolarHBondContact CA-OG1 3.25Å; G98-T106 PolarHBondContact N-O 2.81Å; G98-T106 PolarHBondContact N-OG1 2.83Å; G98-T106 PolarHBondContact O-N 3.49Å; G98-T106 PolarHBondContact O-OG1 3.04Å; L100-T106 HydrophobicContact CD1-CG2 3.56Å; L100-T106 HydrophobicContact CG-CG2 3.65Å; T106-F115 WeakPolarHBondContact CA-O 3.31Å |
| 107 | L | 90.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 153.9 | 165 | -52.1 | 178.3 | 0 | 0 | 0 | 109.5 | A94 R95 V105 N114 F115 I122 V129 F131 | A94-L107 HydrophobicContact CB-CB 3.74Å; A94-L107 HydrophobicContact CB-CD1 4.26Å; R95-L107 CarbonylContact O-C 3.53Å; R95-L107 WeakPolarHBondContact O-CA 3.25Å; R95-L107 WeakPolarHBondContact O-CB 3.43Å; V105-L107 HydrophobicContact CG1-CD2 4.2Å; L107-N114 CarbonylContact O-C 3.57Å; L107-N114 WeakPolarHBondContact O-CA 3.5Å; L107-F115 HydrophobicContact CB-CB 4.19Å; L107-F115 HydrophobicContact CB-CD2 4.24Å; L107-F115 PolarHBondContact N-O 3.36Å; L107-F115 PolarHBondContact O-N 3Å; L107-I122 HydrophobicContact CD1-CD1 3.91Å; L107-I122 HydrophobicContact CD1-CG1 4.03Å; L107-I122 HydrophobicContact CD2-CG1 4.15Å; L107-I122 HydrophobicContact CD2-CG2 4.15Å; L107-I122 HydrophobicContact CG-CG1 4.26Å; L107-V129 HydrophobicContact CD1-CB 4.4Å; L107-V129 HydrophobicContact CD1-CG2 4.5Å; L107-V129 HydrophobicContact CD2-CG2 4.32Å; L107-F131 HydrophobicContact CD1-CD1 4.05Å; L107-F131 HydrophobicContact CD1-CE1 3.65Å; L107-F131 HydrophobicContact CD1-CE2 4.32Å; L107-F131 HydrophobicContact CD1-CZ 3.79Å |
| 108 | Y | 88.9 | Confident | 85 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 9% | 0.09 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.3 | 175 | 176.3 | -92 | 0 | 0 | 0 | 112.3 | A94 R95 D97 G113 N114 R168 | A94-Y108 WeakPolarHBondContact CA-O 3.38Å; A94-Y108 WeakPolarHBondContact CB-O 3.23Å; R95-Y108 PolarHBondContact N-O 2.91Å; R95-Y108 PolarHBondContact O-N 2.93Å; D97-Y108 WeakPolarHBondContact OD1-CB 3.32Å; Y108-G113 WeakPolarHBondContact CA-O 3.4Å; Y108-G113 WeakPolarHBondContact CD2-O 3.48Å; Y108-N114 WeakPolarHBondContact CD2-OD1 3.44Å; Y108-R168 HydrophobicContact CD1-CG 3.91Å; Y108-R168 HydrophobicContact CD2-CG 4.03Å; Y108-R168 VanDerWaalsContact CD2-NE 3.33Å; Y108-R168 HydrophobicContact CE1-CB 4.33Å; Y108-R168 HydrophobicContact CE1-CG 3.41Å; Y108-R168 VanDerWaalsContact CE1-CG 3.41Å; Y108-R168 HydrophobicContact CE2-CG 3.53Å; Y108-R168 HydrophobicContact CG-CG 4.21Å; Y108-R168 WeakPolarHBondContact OH-CG 3.46Å |
| 109 | N | 88.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 164 | 156.9 | 81 | 15.5 | 0 | 0 | 0 | 111.6 | T92 T93 A94 E111 F112 G113 F115 | T92-N109 PolarHBondContact OG1-ND2 2.82Å; T93-N109 VanDerWaalsContact O-CB 3.25Å; T93-N109 WeakPolarHBondContact O-CB 3.46Å; T93-N109 PolarHBondContact O-ND2 3.15Å; A94-N109 HydrophobicContact CB-CB 4.06Å; N109-E111 PolarHBondContact O-N 2.73Å; N109-E111 PolarHBondContact OD1-N 3.38Å; N109-F112 PolarHBondContact OD1-N 2.97Å; N109-G113 PolarHBondContact N-O 3.39Å; N109-G113 VanDerWaalsContact O-CA 3.23Å; N109-G113 WeakPolarHBondContact O-CA 3.39Å; N109-G113 PolarHBondContact O-N 2.96Å; N109-F115 HydrophobicContact CB-CE2 4.23Å |
| 110 | R | 84.6 | Confident | 85.6 | Confident | 102 Ų | 102 | 55.8 Ų | 55.8 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -32.2 | -174.4 | -168.5 | 174.3 | -169.8 | -174.4 | 0.6 | 114.4 | P164 R165 D169 | R110-P164 PolarHBondContact NH1-O 2.86Å; R110-P164 VanDerWaalsContact NH1-O 3.07Å; R110-R165 WeakPolarHBondContact CB-O 3.43Å; R110-D169 IonicContact CZ-OD1 3.33Å; R110-D169 IonicContact CZ-OD2 3.53Å; R110-D169 VanDerWaalsContact CZ-OD2 3.31Å; R110-D169 IonicContact NE-OD2 3.77Å; R110-D169 PolarHBondContact NE-OD2 2.68Å; R110-D169 VanDerWaalsContact NE-OD2 3.12Å; R110-D169 VanDerWaalsContact NH2-CG 3.27Å; R110-D169 IonicContact NH2-OD1 2.87Å; R110-D169 PolarHBondContact NH2-OD1 3.45Å; R110-D169 IonicContact NH2-OD2 3.88Å; R110-D169 PolarHBondContact NH2-OD2 2.62Å |
| 111 | E | 88.4 | Confident | 86.3 | Confident | 64 Ų | 64 | 54.3 Ų | 54.3 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -35.7 | -171.4 | -63.2 | -53.9 | 140.5 | 0 | 0 | 113.6 | R7 I23 L73 N109 | R7-E111 IonicContact CZ-OE2 2.83Å; R7-E111 IonicContact NH1-OE1 2.76Å; R7-E111 IonicContact NH1-OE2 2.86Å; R7-E111 PolarHBondContact NH1-OE2 3.49Å; I23-E111 WeakPolarHBondContact CG2-O 3.42Å; L73-E111 HydrophobicContact CB-CB 4.34Å; N109-E111 PolarHBondContact O-N 2.73Å; N109-E111 PolarHBondContact OD1-N 3.38Å |
| 112 | F | 90.1 | Very high | 87.4 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -6.6 | -177.1 | -62.9 | -92.5 | 0 | 0 | 0 | 113.7 | I23 F43 L73 A74 M90 N109 N114 F115 F133 F147 | I23-F112 HydrophobicContact CD1-CE1 4.28Å; I23-F112 HydrophobicContact CG2-CB 4.39Å; I23-F112 HydrophobicContact CG2-CD1 3.99Å; I23-F112 HydrophobicContact CG2-CG 4.41Å; F43-F112 AromaticContact CE1-CE1 3.93Å; F43-F112 HydrophobicContact CE1-CE1 3.93Å; F43-F112 AromaticContact CE1-CZ 3.72Å; F43-F112 HydrophobicContact CE1-CZ 3.72Å; F43-F112 HydrophobicContact CZ-CE1 4.23Å; F43-F112 AromaticContact CZ-CZ 3.79Å; F43-F112 HydrophobicContact CZ-CZ 3.79Å; L73-F112 HydrophobicContact CB-CE2 3.99Å; L73-F112 HydrophobicContact CB-CZ 3.92Å; A74-F112 HydrophobicContact CB-CE2 3.86Å; A74-F112 HydrophobicContact CB-CZ 3.7Å; M90-F112 HydrophobicContact SD-CE1 3.94Å; M90-F112 HydrophobicContact SD-CZ 4.21Å; N109-F112 PolarHBondContact OD1-N 2.97Å; F112-N114 PolarHBondContact O-N 2.96Å; F112-F115 HydrophobicContact CB-CE1 4.14Å; F112-F115 HydrophobicContact CB-CE2 4.19Å; F112-F115 HydrophobicContact CB-CZ 3.56Å; F112-F115 HydrophobicContact CD2-CZ 4.22Å; F112-F115 HydrophobicContact CG-CZ 4.1Å; F112-F133 HydrophobicContact CD1-CE2 4.07Å; F112-F133 AromaticContact CD1-CZ 3.88Å; F112-F133 HydrophobicContact CD1-CZ 3.88Å; F112-F133 HydrophobicContact CD2-CZ 4.21Å; F112-F133 HydrophobicContact CE1-CE2 4.22Å; F112-F133 AromaticContact CE1-CZ 3.77Å; F112-F133 HydrophobicContact CE1-CZ 3.77Å; F112-F133 HydrophobicContact CE2-CZ 4.12Å; F112-F133 HydrophobicContact CG-CE2 4.49Å; F112-F133 HydrophobicContact CG-CZ 4.1Å; F112-F133 AromaticContact CZ-CZ 3.9Å; F112-F133 HydrophobicContact CZ-CZ 3.9Å; F112-F147 HydrophobicContact CB-CD2 3.99Å; F112-F147 HydrophobicContact CB-CE2 3.98Å; F112-F147 HydrophobicContact CD1-CE1 4.2Å; F112-F147 HydrophobicContact CD1-CE2 4.09Å; F112-F147 AromaticContact CD1-CZ 3.91Å; F112-F147 HydrophobicContact CD1-CZ 3.91Å; F112-F147 WeakPolarHBondContact O-CD2 3.29Å; F112-F147 WeakPolarHBondContact O-CE2 3.35Å |
| 113 | G | 88.7 | Confident | 88.2 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.8 | -125 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y108 N109 | Y108-G113 WeakPolarHBondContact CA-O 3.4Å; Y108-G113 WeakPolarHBondContact CD2-O 3.48Å; N109-G113 PolarHBondContact N-O 3.39Å; N109-G113 VanDerWaalsContact O-CA 3.23Å; N109-G113 WeakPolarHBondContact O-CA 3.39Å; N109-G113 PolarHBondContact O-N 2.96Å |
| 114 | N | 90.4 | Very high | 88.7 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.3 | -171.4 | -73.3 | -37.5 | 0 | 0 | 0 | 113.4 | L107 Y108 F112 R168 | L107-N114 CarbonylContact O-C 3.57Å; L107-N114 WeakPolarHBondContact O-CA 3.5Å; Y108-N114 WeakPolarHBondContact CD2-OD1 3.44Å; F112-N114 PolarHBondContact O-N 2.96Å; N114-R168 PolarHBondContact ND2-NH2 2.87Å; N114-R168 PolarHBondContact OD1-NH2 2.99Å |
| 115 | F | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.2 | 170.9 | -52 | -101.3 | 0 | 0 | 0 | 109.2 | T92 A94 T106 L107 N109 F112 F131 F133 F147 P149 | T92-F115 HydrophobicContact CG2-CE1 3.9Å; T92-F115 HydrophobicContact CG2-CE2 4.49Å; T92-F115 HydrophobicContact CG2-CZ 3.62Å; A94-F115 HydrophobicContact CB-CD2 4.1Å; A94-F115 HydrophobicContact CB-CE2 4.01Å; T106-F115 WeakPolarHBondContact CA-O 3.31Å; L107-F115 HydrophobicContact CB-CB 4.19Å; L107-F115 HydrophobicContact CB-CD2 4.24Å; L107-F115 PolarHBondContact N-O 3.36Å; L107-F115 PolarHBondContact O-N 3Å; N109-F115 HydrophobicContact CB-CE2 4.23Å; F112-F115 HydrophobicContact CB-CE1 4.14Å; F112-F115 HydrophobicContact CB-CE2 4.19Å; F112-F115 HydrophobicContact CB-CZ 3.56Å; F112-F115 HydrophobicContact CD2-CZ 4.22Å; F112-F115 HydrophobicContact CG-CZ 4.1Å; F115-F131 HydrophobicContact CB-CE2 4.41Å; F115-F131 HydrophobicContact CB-CZ 4.42Å; F115-F131 AromaticContact CD1-CE2 3.59Å; F115-F131 HydrophobicContact CD1-CE2 3.59Å; F115-F131 AromaticContact CD1-CZ 3.72Å; F115-F131 HydrophobicContact CD1-CZ 3.72Å; F115-F131 AromaticContact CD2-CZ 3.97Å; F115-F131 HydrophobicContact CD2-CZ 3.97Å; F115-F131 AromaticContact CE1-CE2 3.94Å; F115-F131 HydrophobicContact CE1-CE2 3.94Å; F115-F131 AromaticContact CE1-CZ 3.88Å; F115-F131 HydrophobicContact CE1-CZ 3.88Å; F115-F131 HydrophobicContact CE2-CZ 4.13Å; F115-F131 AromaticContact CG-CE2 3.96Å; F115-F131 HydrophobicContact CG-CE2 3.96Å; F115-F131 AromaticContact CG-CZ 3.77Å; F115-F131 HydrophobicContact CG-CZ 3.77Å; F115-F131 HydrophobicContact CZ-CZ 4.07Å; F115-F133 HydrophobicContact CD1-CB 4.27Å; F115-F133 HydrophobicContact CD1-CD1 4.44Å; F115-F133 HydrophobicContact CD1-CD2 4.06Å; F115-F133 HydrophobicContact CD1-CG 4.02Å; F115-F133 HydrophobicContact CE1-CB 4.44Å; F115-F133 AromaticContact CE1-CD1 3.81Å; F115-F133 HydrophobicContact CE1-CD1 3.81Å; F115-F133 AromaticContact CE1-CD2 3.71Å; F115-F133 HydrophobicContact CE1-CD2 3.71Å; F115-F133 AromaticContact CE1-CE1 3.89Å; F115-F133 HydrophobicContact CE1-CE1 3.89Å; F115-F133 AromaticContact CE1-CE2 3.75Å; F115-F133 HydrophobicContact CE1-CE2 3.75Å; F115-F133 AromaticContact CE1-CG 3.72Å; F115-F133 HydrophobicContact CE1-CG 3.72Å; F115-F133 AromaticContact CE1-CZ 3.85Å; F115-F133 HydrophobicContact CE1-CZ 3.85Å; F115-F133 HydrophobicContact CZ-CZ 4.49Å; F115-F147 CarbonylContact C-O 3.52Å; F115-F147 WeakPolarHBondContact CA-O 3.49Å; F115-F147 HydrophobicContact CD1-CB 3.51Å; F115-F147 HydrophobicContact CD1-CG 4.48Å; F115-F147 HydrophobicContact CE1-CB 3.94Å; F115-F147 HydrophobicContact CE1-CG 4.48Å; F115-F147 HydrophobicContact CG-CB 4.28Å; F115-P149 HydrophobicContact CB-CG 4.26Å |
| 116 | V | 92.2 | Very high | 88.4 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.7 | -177.3 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | L100 I104 M118 F147 P149 | L100-V116 HydrophobicContact CD1-CG1 4.2Å; L100-V116 HydrophobicContact CD1-CG2 4.39Å; I104-V116 HydrophobicContact CG2-CG1 3.6Å; V116-M118 HydrophobicContact CG1-CG 4.02Å; V116-M118 HydrophobicContact CG1-SD 3.57Å; V116-M118 VanDerWaalsContact CG1-SD 3.57Å; V116-M118 PolarHBondContact O-N 2.92Å; V116-F147 PolarHBondContact N-O 2.91Å; V116-P149 VanDerWaalsContact O-CD 3.25Å; V116-P149 WeakPolarHBondContact O-CD 3.29Å |
| 117 | D | 91.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 67 | -178.9 | -175.4 | 28.4 | 0 | 0 | 0 | 112 | V105 D119 R120 L121 I122 P149 | V105-D117 HydrophobicContact CB-CB 3.97Å; V105-D117 HydrophobicContact CG1-CB 4.46Å; V105-D117 VanDerWaalsContact O-CB 3.28Å; V105-D117 WeakPolarHBondContact O-CB 3.5Å; V105-D117 PolarHBondContact O-N 2.68Å; D117-D119 PolarHBondContact O-N 2.91Å; D117-R120 PolarHBondContact O-N 3.22Å; D117-R120 PolarHBondContact OD1-N 2.81Å; D117-R120 VanDerWaalsContact OD2-C 3.24Å; D117-R120 VanDerWaalsContact OD2-CA 3.22Å; D117-R120 WeakPolarHBondContact OD2-CA 3.25Å; D117-L121 VanDerWaalsContact CG-N 3.27Å; D117-L121 PolarHBondContact OD1-N 2.8Å; D117-L121 PolarHBondContact OD2-N 2.9Å; D117-I122 HydrophobicContact CB-CG1 4.11Å; D117-I122 WeakPolarHBondContact OD2-CB 3.48Å; D117-I122 WeakPolarHBondContact OD2-CG1 3.41Å; D117-I122 PolarHBondContact OD2-N 2.82Å; D117-P149 HydrophobicContact CB-CG 4.49Å |
| 118 | M | 86.9 | Confident | 88.2 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -34.5 | 179.5 | -63.5 | -63.6 | -65.9 | 0 | 0 | 112.6 | I104 V116 V148 | I104-M118 HydrophobicContact CD1-SD 4.23Å; V116-M118 HydrophobicContact CG1-CG 4.02Å; V116-M118 HydrophobicContact CG1-SD 3.57Å; V116-M118 VanDerWaalsContact CG1-SD 3.57Å; V116-M118 PolarHBondContact O-N 2.92Å; M118-V148 HydrophobicContact CB-CG1 4.1Å; M118-V148 HydrophobicContact CG-CG1 4.11Å; M118-V148 HydrophobicContact CG-CG2 4.3Å |
| 119 | D | 88.3 | Confident | 88.4 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5 | -175.2 | -63.6 | -36.7 | 0 | 0 | 0 | 112.6 | D117 L121 | D117-D119 PolarHBondContact O-N 2.91Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 HydrophobicContact CB-CD1 4.39Å; D119-L121 HydrophobicContact CB-CD2 4.16Å; D119-L121 HydrophobicContact CB-CG 3.99Å; D119-L121 PolarHBondContact O-N 2.96Å |
| 120 | R | 88.8 | Confident | 88.7 | Confident | 178 Ų | 178 | 56.3 Ų | 56.3 | 67% | 0.672 | 28% | 0.284 | S | S | * | . | trans | 54.6 | 40.3 | 177.2 | -61.7 | -180 | 173.2 | 174.1 | -2.6 | 114.1 | G102 D117 I122 | G102-R120 PolarHBondContact O-NH2 3.06Å; G102-R120 VanDerWaalsContact O-NH2 3.15Å; D117-R120 PolarHBondContact O-N 3.22Å; D117-R120 PolarHBondContact OD1-N 2.81Å; D117-R120 VanDerWaalsContact OD2-C 3.24Å; D117-R120 VanDerWaalsContact OD2-CA 3.22Å; D117-R120 WeakPolarHBondContact OD2-CA 3.25Å; R120-I122 VanDerWaalsContact C-N 3.35Å | ||
| 121 | L | 91.3 | Very high | 89.2 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | trans | -75.6 | -21.2 | -178.9 | -54.8 | 179.4 | 0 | 0 | 0 | 113.2 | D117 D119 A123 P149 V152 | D117-L121 VanDerWaalsContact CG-N 3.27Å; D117-L121 PolarHBondContact OD1-N 2.8Å; D117-L121 PolarHBondContact OD2-N 2.9Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 HydrophobicContact CB-CD1 4.39Å; D119-L121 HydrophobicContact CB-CD2 4.16Å; D119-L121 HydrophobicContact CB-CG 3.99Å; D119-L121 PolarHBondContact O-N 2.96Å; L121-A123 PolarHBondContact O-N 2.71Å; L121-P149 HydrophobicContact CD1-CB 4.27Å; L121-V152 HydrophobicContact CB-CG2 4.14Å | ||
| 122 | I | 90.1 | Very high | 89.6 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | trans | -87.7 | 96.8 | -173.9 | -53.4 | -50.2 | 0 | 0 | 0 | 111.1 | V105 L107 D117 R120 V129 V152 | V105-I122 HydrophobicContact CB-CB 4.47Å; V105-I122 HydrophobicContact CG1-CB 3.98Å; V105-I122 HydrophobicContact CG1-CG1 4.32Å; V105-I122 HydrophobicContact CG1-CG2 4.06Å; L107-I122 HydrophobicContact CD1-CD1 3.91Å; L107-I122 HydrophobicContact CD1-CG1 4.03Å; L107-I122 HydrophobicContact CD2-CG1 4.15Å; L107-I122 HydrophobicContact CD2-CG2 4.15Å; L107-I122 HydrophobicContact CG-CG1 4.26Å; D117-I122 HydrophobicContact CB-CG1 4.11Å; D117-I122 WeakPolarHBondContact OD2-CB 3.48Å; D117-I122 WeakPolarHBondContact OD2-CG1 3.41Å; D117-I122 PolarHBondContact OD2-N 2.82Å; R120-I122 VanDerWaalsContact C-N 3.35Å; I122-V129 HydrophobicContact CD1-CG1 3.86Å; I122-V129 HydrophobicContact CD1-CG2 4.44Å; I122-V129 HydrophobicContact CG2-CG2 4.43Å; I122-V152 HydrophobicContact CD1-CG2 3.68Å | ||
| 123 | A | 83.9 | Confident | 89.8 | Confident | 87 Ų | 87 | 49 Ų | 49 | 72% | 0.719 | 25% | 0.254 | S | S | * | . | trans | -82.2 | -30.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L121 Y155 | L121-A123 PolarHBondContact O-N 2.71Å; A123-Y155 PolarHBondContact N-OH 2.94Å; A123-Y155 VanDerWaalsContact N-OH 3.1Å | ||
| 124 | V | 83.9 | Confident | 90 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 30% | 0.297 | 26% | 0.26 | S | S | . | . | trans | -119.7 | 121.6 | -171.6 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | N126 K127 Y155 | V124-N126 WeakPolarHBondContact CG1-OD1 3.25Å; V124-K127 HydrophobicContact CB-CG 4.42Å; V124-K127 HydrophobicContact CG1-CB 4.11Å; V124-K127 HydrophobicContact CG1-CG 3.51Å; V124-Y155 HydrophobicContact CB-CD1 3.94Å; V124-Y155 HydrophobicContact CB-CE1 3.74Å; V124-Y155 HydrophobicContact CG2-CD1 4.48Å; V124-Y155 HydrophobicContact CG2-CE1 4.24Å; V124-Y155 HydrophobicContact CG2-CE2 4.42Å | ||
| 125 | R | 82.4 | Confident | 90.1 | Very high | 124 Ų | 124 | 49.6 Ų | 49.6 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -96.7 | -18.4 | -171.6 | -59.6 | -179.1 | -179.4 | 179.7 | 2.8 | 114.6 | Y96 | Y96-R125 WeakPolarHBondContact CB-O 3.24Å; Y96-R125 HydrophobicContact CD1-CB 4.18Å; Y96-R125 HydrophobicContact CD2-CB 3.84Å; Y96-R125 HydrophobicContact CD2-CG 3.65Å; Y96-R125 HydrophobicContact CE1-CB 4.48Å; Y96-R125 HydrophobicContact CE2-CB 4.16Å; Y96-R125 HydrophobicContact CE2-CG 3.65Å; Y96-R125 HydrophobicContact CG-CB 3.84Å; Y96-R125 HydrophobicContact CG-CG 4.19Å |
| 126 | N | 82.3 | Confident | 89.9 | Confident | 118 Ų | 118 | 53.2 Ų | 53.2 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -101.9 | 30.9 | -177.6 | 66.7 | -31.5 | 0 | 0 | 0 | 113 | V124 | V124-N126 WeakPolarHBondContact CG1-OD1 3.25Š|
| 127 | K | 86.4 | Confident | 89.7 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -137 | 152.3 | -176.1 | -69 | -70.9 | 179 | 168.6 | 0 | 109.9 | V124 Y155 H156 D157 M158 | V124-K127 HydrophobicContact CB-CG 4.42Å; V124-K127 HydrophobicContact CG1-CB 4.11Å; V124-K127 HydrophobicContact CG1-CG 3.51Å; K127-Y155 HydrophobicContact CB-CD1 3.94Å; K127-Y155 HydrophobicContact CB-CG 4.49Å; K127-H156 CarbonylContact C-O 3.59Å; K127-H156 WeakPolarHBondContact CA-O 3.46Å; K127-H156 WeakPolarHBondContact CB-O 2.87Å; K127-H156 WeakPolarHBondContact CD-O 3.44Å; K127-D157 IonicContact NZ-OD1 2.8Å; K127-D157 PolarHBondContact NZ-OD1 2.98Å; K127-M158 VanDerWaalsContact C-SD 3.51Å |
| 128 | L | 89.6 | Confident | 89.5 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.1 | 164.8 | -177.9 | 70.1 | 0 | 0 | 0 | 107.9 | Y155 H156 M158 F166 | L128-Y155 WeakPolarHBondContact O-CA 3.31Å; L128-H156 HydrophobicContact CB-CB 4.38Å; L128-H156 PolarHBondContact N-O 3.35Å; L128-H156 PolarHBondContact O-N 2.96Å; L128-M158 HydrophobicContact CB-SD 4.34Å; L128-F166 HydrophobicContact CD1-CD1 3.94Å; L128-F166 HydrophobicContact CD1-CE1 3.41Å; L128-F166 VanDerWaalsContact CD1-CE1 3.41Å; L128-F166 HydrophobicContact CD1-CZ 3.82Å; L128-F166 HydrophobicContact CD2-CE1 4.44Å; L128-F166 HydrophobicContact CD2-CZ 4.02Å |
| 129 | V | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.4 | -178 | -167.7 | 0 | 0 | 0 | 0 | 109.4 | T93 A94 L107 I122 F131 V152 Y155 | T93-V129 VanDerWaalsContact CA-O 3.23Å; T93-V129 WeakPolarHBondContact CA-O 3.38Å; A94-V129 PolarHBondContact N-O 3.34Å; A94-V129 PolarHBondContact O-N 2.79Å; L107-V129 HydrophobicContact CD1-CB 4.4Å; L107-V129 HydrophobicContact CD1-CG2 4.5Å; L107-V129 HydrophobicContact CD2-CG2 4.32Å; I122-V129 HydrophobicContact CD1-CG1 3.86Å; I122-V129 HydrophobicContact CD1-CG2 4.44Å; I122-V129 HydrophobicContact CG2-CG2 4.43Å; V129-F131 HydrophobicContact CB-CD1 4.11Å; V129-F131 HydrophobicContact CG1-CB 4.28Å; V129-F131 HydrophobicContact CG1-CD1 3.9Å; V129-F131 HydrophobicContact CG1-CG 4.45Å; V129-V152 HydrophobicContact CG1-CG1 3.95Å; V129-V152 HydrophobicContact CG1-CG2 4.24Å; V129-Y155 HydrophobicContact CG1-CD1 4.39Å; V129-Y155 HydrophobicContact CG1-CE1 4.1Å; V129-Y155 HydrophobicContact CG2-CD1 4.01Å; V129-Y155 HydrophobicContact CG2-CE1 3.83Å |
| 130 | V | 94.8 | Very high | 88.9 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.7 | 164.7 | -166.8 | 0 | 0 | 0 | 0 | 108.1 | T91 T93 I153 A154 H156 | T91-V130 HydrophobicContact CG2-CG1 4.2Å; T93-V130 HydrophobicContact CG2-CB 4.47Å; T93-V130 HydrophobicContact CG2-CG1 4.31Å; T93-V130 HydrophobicContact CG2-CG2 3.97Å; V130-I153 HydrophobicContact CB-CB 4.35Å; V130-I153 HydrophobicContact CG1-CB 4.24Å; V130-I153 HydrophobicContact CG1-CD1 4.31Å; V130-I153 PolarHBondContact O-N 3.2Å; V130-A154 HydrophobicContact CB-CB 4.17Å; V130-A154 HydrophobicContact CG2-CB 4.11Å; V130-A154 PolarHBondContact N-O 2.92Å; V130-A154 PolarHBondContact O-N 2.87Å; V130-H156 WeakPolarHBondContact CG2-CD2 3.34Å; V130-H156 WeakPolarHBondContact CG2-NE2 3.36Å |
| 131 | F | 95.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 152.1 | -173.8 | 61.5 | -75.4 | 0 | 0 | 0 | 112.2 | T91 T92 A94 L107 F115 V129 F133 P149 R151 | T91-F131 WeakPolarHBondContact CA-O 3.21Å; T92-F131 HydrophobicContact CG2-CE1 4.11Å; T92-F131 HydrophobicContact CG2-CE2 4.31Å; T92-F131 HydrophobicContact CG2-CZ 3.79Å; T92-F131 PolarHBondContact N-O 2.96Å; T92-F131 PolarHBondContact O-N 2.91Å; T92-F131 VanDerWaalsContact O-N 3.09Å; A94-F131 HydrophobicContact CB-CE1 3.52Å; A94-F131 HydrophobicContact CB-CZ 3.8Å; L107-F131 HydrophobicContact CD1-CD1 4.05Å; L107-F131 HydrophobicContact CD1-CE1 3.65Å; L107-F131 HydrophobicContact CD1-CE2 4.32Å; L107-F131 HydrophobicContact CD1-CZ 3.79Å; F115-F131 HydrophobicContact CB-CE2 4.41Å; F115-F131 HydrophobicContact CB-CZ 4.42Å; F115-F131 AromaticContact CD1-CE2 3.59Å; F115-F131 HydrophobicContact CD1-CE2 3.59Å; F115-F131 AromaticContact CD1-CZ 3.72Å; F115-F131 HydrophobicContact CD1-CZ 3.72Å; F115-F131 AromaticContact CD2-CZ 3.97Å; F115-F131 HydrophobicContact CD2-CZ 3.97Å; F115-F131 AromaticContact CE1-CE2 3.94Å; F115-F131 HydrophobicContact CE1-CE2 3.94Å; F115-F131 AromaticContact CE1-CZ 3.88Å; F115-F131 HydrophobicContact CE1-CZ 3.88Å; F115-F131 HydrophobicContact CE2-CZ 4.13Å; F115-F131 AromaticContact CG-CE2 3.96Å; F115-F131 HydrophobicContact CG-CE2 3.96Å; F115-F131 AromaticContact CG-CZ 3.77Å; F115-F131 HydrophobicContact CG-CZ 3.77Å; F115-F131 HydrophobicContact CZ-CZ 4.07Å; V129-F131 HydrophobicContact CB-CD1 4.11Å; V129-F131 HydrophobicContact CG1-CB 4.28Å; V129-F131 HydrophobicContact CG1-CD1 3.9Å; V129-F131 HydrophobicContact CG1-CG 4.45Å; F131-F133 HydrophobicContact CD2-CB 4.02Å; F131-F133 HydrophobicContact CE2-CB 3.85Å; F131-F133 HydrophobicContact CE2-CD1 4.14Å; F131-F133 HydrophobicContact CE2-CG 4.26Å; F131-P149 HydrophobicContact CD2-CB 3.77Å; F131-P149 HydrophobicContact CD2-CG 3.97Å; F131-P149 HydrophobicContact CE2-CB 4.22Å; F131-P149 HydrophobicContact CE2-CG 3.91Å; F131-R151 CarbonylContact C-O 3.49Å; F131-R151 VanDerWaalsContact CA-O 3.25Å; F131-R151 WeakPolarHBondContact CA-O 3.35Å; F131-R151 VanDerWaalsContact CB-O 3.32Å; F131-R151 WeakPolarHBondContact CB-O 3.27Å |
| 132 | Q | 96.1 | Very high | 88.2 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 140.3 | 162.9 | -60.2 | -173.1 | -55.5 | 0 | 0 | 109.2 | E77 I89 M90 V150 R151 I153 | E77-Q132 PolarHBondContact OE2-NE2 3.26Å; I89-Q132 HydrophobicContact CG2-CB 3.83Å; I89-Q132 HydrophobicContact CG2-CG 4.21Å; M90-Q132 CarbonylContact O-C 3.58Å; M90-Q132 VanDerWaalsContact O-CA 3.25Å; M90-Q132 WeakPolarHBondContact O-CA 3.16Å; Q132-V150 HydrophobicContact CB-CG2 3.79Å; Q132-V150 WeakPolarHBondContact O-CG2 3.35Å; Q132-V150 PolarHBondContact O-N 3.11Å; Q132-R151 HydrophobicContact CB-CB 4.28Å; Q132-R151 PolarHBondContact N-O 2.93Å; Q132-R151 PolarHBondContact O-N 2.81Å; Q132-I153 HydrophobicContact CG-CD1 3.9Å; Q132-I153 HydrophobicContact CG-CG1 4.32Å |
| 133 | F | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 164.6 | 174.5 | 70.6 | -80.3 | 0 | 0 | 0 | 111.1 | M90 T92 F112 F115 F131 F147 V148 | M90-F133 HydrophobicContact CB-CD1 3.94Å; M90-F133 HydrophobicContact CB-CD2 4.48Å; M90-F133 HydrophobicContact CB-CE1 3.33Å; M90-F133 HydrophobicContact CB-CE2 3.98Å; M90-F133 HydrophobicContact CB-CG 4.47Å; M90-F133 HydrophobicContact CB-CZ 3.37Å; M90-F133 HydrophobicContact CE-CD2 4.28Å; M90-F133 HydrophobicContact CE-CE2 3.54Å; M90-F133 HydrophobicContact CE-CZ 3.94Å; M90-F133 HydrophobicContact CG-CZ 4.22Å; M90-F133 PolarHBondContact N-O 2.89Å; M90-F133 WeakPolarHBondContact O-CD1 3.33Å; M90-F133 WeakPolarHBondContact O-CE1 3.38Å; M90-F133 PolarHBondContact O-N 2.84Å; M90-F133 HydrophobicContact SD-CE2 4.14Å; M90-F133 HydrophobicContact SD-CZ 3.9Å; T92-F133 HydrophobicContact CG2-CD1 3.7Å; T92-F133 HydrophobicContact CG2-CE1 3.37Å; T92-F133 HydrophobicContact CG2-CZ 4.28Å; F112-F133 HydrophobicContact CD1-CE2 4.07Å; F112-F133 AromaticContact CD1-CZ 3.88Å; F112-F133 HydrophobicContact CD1-CZ 3.88Å; F112-F133 HydrophobicContact CD2-CZ 4.21Å; F112-F133 HydrophobicContact CE1-CE2 4.22Å; F112-F133 AromaticContact CE1-CZ 3.77Å; F112-F133 HydrophobicContact CE1-CZ 3.77Å; F112-F133 HydrophobicContact CE2-CZ 4.12Å; F112-F133 HydrophobicContact CG-CE2 4.49Å; F112-F133 HydrophobicContact CG-CZ 4.1Å; F112-F133 AromaticContact CZ-CZ 3.9Å; F112-F133 HydrophobicContact CZ-CZ 3.9Å; F115-F133 HydrophobicContact CD1-CB 4.27Å; F115-F133 HydrophobicContact CD1-CD1 4.44Å; F115-F133 HydrophobicContact CD1-CD2 4.06Å; F115-F133 HydrophobicContact CD1-CG 4.02Å; F115-F133 HydrophobicContact CE1-CB 4.44Å; F115-F133 AromaticContact CE1-CD1 3.81Å; F115-F133 HydrophobicContact CE1-CD1 3.81Å; F115-F133 AromaticContact CE1-CD2 3.71Å; F115-F133 HydrophobicContact CE1-CD2 3.71Å; F115-F133 AromaticContact CE1-CE1 3.89Å; F115-F133 HydrophobicContact CE1-CE1 3.89Å; F115-F133 AromaticContact CE1-CE2 3.75Å; F115-F133 HydrophobicContact CE1-CE2 3.75Å; F115-F133 AromaticContact CE1-CG 3.72Å; F115-F133 HydrophobicContact CE1-CG 3.72Å; F115-F133 AromaticContact CE1-CZ 3.85Å; F115-F133 HydrophobicContact CE1-CZ 3.85Å; F115-F133 HydrophobicContact CZ-CZ 4.49Å; F131-F133 HydrophobicContact CD2-CB 4.02Å; F131-F133 HydrophobicContact CE2-CB 3.85Å; F131-F133 HydrophobicContact CE2-CD1 4.14Å; F131-F133 HydrophobicContact CE2-CG 4.26Å; F133-F147 HydrophobicContact CD2-CB 3.88Å; F133-F147 AromaticContact CD2-CD1 3.92Å; F133-F147 HydrophobicContact CD2-CD1 3.92Å; F133-F147 HydrophobicContact CD2-CG 4.19Å; F133-F147 HydrophobicContact CE2-CB 4.21Å; F133-F147 AromaticContact CE2-CD1 3.63Å; F133-F147 HydrophobicContact CE2-CD1 3.63Å; F133-F147 HydrophobicContact CE2-CE1 4.28Å; F133-F147 HydrophobicContact CE2-CG 4.04Å; F133-V148 VanDerWaalsContact CA-O 3.29Å; F133-V148 WeakPolarHBondContact CA-O 3.25Å; F133-V148 WeakPolarHBondContact CB-O 3.13Å |
| 134 | R | 93.5 | Very high | 88.2 | Confident | 90 Ų | 90 | 57 Ų | 57 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 157.4 | 171.2 | 66.1 | -175.8 | 157.4 | 169.5 | -7.9 | 111 | K136 V148 V150 | R134-K136 HydrophobicContact CG-CG 4.42Å; R134-K136 VanDerWaalsContact NE-CE 3.34Å; R134-V148 PolarHBondContact N-O 3.03Å; R134-V148 PolarHBondContact O-N 3.49Å; R134-V150 HydrophobicContact CB-CG1 4.35Å; R134-V150 HydrophobicContact CG-CG1 3.63Å; R134-V150 VanDerWaalsContact NE-CG1 3.26Å |
| 135 | C | 92.1 | Very high | 88.5 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 134.3 | 170.9 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | F9 L11 S145 F147 | F9-C135 HydrophobicContact CZ-CB 3.82Å; L11-C135 HydrophobicContact CD1-CB 3.89Å; C135-S145 VanDerWaalsContact SG-CB 3.53Å; C135-F147 HydrophobicContact CB-CD1 4.24Å; C135-F147 HydrophobicContact CB-CE1 4.18Å |
| 136 | K | 89.4 | Confident | 88.9 | Confident | 77 Ų | 77 | 51 Ų | 51 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 165.7 | 173 | -73.2 | -172.5 | -179.9 | 175.4 | 0 | 110.8 | R134 S145 I146 V148 | R134-K136 HydrophobicContact CG-CG 4.42Å; R134-K136 VanDerWaalsContact NE-CE 3.34Å; K136-S145 CarbonylContact O-C 3.56Å; K136-S145 WeakPolarHBondContact O-CA 3.43Å; K136-S145 WeakPolarHBondContact O-CB 3.23Å; K136-I146 HydrophobicContact CB-CG1 4.39Å; K136-I146 PolarHBondContact N-O 3.03Å; K136-I146 PolarHBondContact O-N 3.32Å; K136-V148 HydrophobicContact CD-CG2 4.34Å |
| 137 | A | 87.7 | Confident | 89.5 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 41% | 0.405 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 144.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 138 | S | 86.5 | Confident | 89.9 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | trans | -69.8 | 134.1 | 171.3 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | V140 N141 L144 | S138-V140 PolarHBondContact O-N 3.21Å; S138-V140 PolarHBondContact OG-N 2.92Å; S138-N141 WeakPolarHBondContact CB-O 3.36Å; S138-N141 CarbonylContact O-C 3.59Å; S138-N141 PolarHBondContact O-N 2.92Å; S138-N141 PolarHBondContact OG-N 3.35Å; S138-L144 PolarHBondContact N-O 2.92Å | ||
| 139 | P | 81.4 | Confident | 90.2 | Very high | 104 Ų | 104 | 42.3 Ų | 42.3 | 68% | 0.675 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -69.5 | -14.9 | 176.7 | 29.6 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 140 | V | 82.4 | Confident | 90.2 | Very high | 139 Ų | 139 | 44.3 Ų | 44.3 | 84% | 0.842 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -97.6 | -26.9 | 179.8 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | S138 | S138-V140 PolarHBondContact O-N 3.21Å; S138-V140 PolarHBondContact OG-N 2.92Å |
| 141 | N | 83.1 | Confident | 90.2 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 33% | 0.326 | 26% | 0.264 | S | S | . | . | trans | -146.9 | 103 | -178.4 | -176.8 | -22 | 0 | 0 | 0 | 110.1 | S138 Y143 L144 | S138-N141 WeakPolarHBondContact CB-O 3.36Å; S138-N141 CarbonylContact O-C 3.59Å; S138-N141 PolarHBondContact O-N 2.92Å; S138-N141 PolarHBondContact OG-N 3.35Å; N141-Y143 PolarHBondContact O-N 3.36Å; N141-Y143 VanDerWaalsContact O-N 3.15Å; N141-Y143 WeakPolarHBondContact OD1-CB 3.23Å; N141-Y143 WeakPolarHBondContact OD1-CD2 3.07Å; N141-Y143 PolarHBondContact OD1-N 3.1Å; N141-L144 HydrophobicContact CB-CB 4.38Å; N141-L144 HydrophobicContact CB-CD1 4.18Å; N141-L144 HydrophobicContact CB-CG 4.28Å; N141-L144 PolarHBondContact O-N 3.33Å | ||
| 142 | N | 81.6 | Confident | 90.2 | Very high | 96 Ų | 96 | 52.4 Ų | 52.4 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.8 | -177.8 | 61.3 | -21.5 | 0 | 0 | 0 | 113.8 | R59 L144 | R59-N142 VanDerWaalsContact CD-O 3.28Å; R59-N142 WeakPolarHBondContact CD-O 3.48Å; R59-N142 WeakPolarHBondContact CG-O 2.96Å; R59-N142 PolarHBondContact NE-O 3.12Å; N142-L144 VanDerWaalsContact C-N 3.3Å; N142-L144 PolarHBondContact O-N 2.96Å |
| 143 | Y | 84.6 | Confident | 90.2 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 28% | 0.275 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.1 | 176.7 | -54.8 | -72.9 | 0 | 0 | 0 | 114 | F27 E56 Q61 N141 | F27-Y143 WeakPolarHBondContact CA-O 3.5Å; E56-Y143 WeakPolarHBondContact CG-OH 3.43Å; E56-Y143 PolarHBondContact O-OH 2.91Å; Q61-Y143 HydrophobicContact CG-CD1 4.08Å; Q61-Y143 HydrophobicContact CG-CE1 4.29Å; N141-Y143 PolarHBondContact O-N 3.36Å; N141-Y143 VanDerWaalsContact O-N 3.15Å; N141-Y143 WeakPolarHBondContact OD1-CB 3.23Å; N141-Y143 WeakPolarHBondContact OD1-CD2 3.07Å; N141-Y143 PolarHBondContact OD1-N 3.1Å |
| 144 | L | 88.6 | Confident | 90.1 | Very high | 64 Ų | 64 | 57 Ų | 57 | 34% | 0.335 | 30% | 0.304 | S | S | . | . | B | Isolated β-bridge | trans | -99.7 | 155 | 179.8 | -63.3 | -179.2 | 0 | 0 | 0 | 112.1 | F27 R59 S138 N141 N142 | F27-L144 HydrophobicContact CB-CD2 4.24Å; R59-L144 VanDerWaalsContact NH2-C 3.27Å; R59-L144 PolarHBondContact NH2-O 3.48Å; S138-L144 PolarHBondContact N-O 2.92Å; N141-L144 HydrophobicContact CB-CB 4.38Å; N141-L144 HydrophobicContact CB-CD1 4.18Å; N141-L144 HydrophobicContact CB-CG 4.28Å; N141-L144 PolarHBondContact O-N 3.33Å; N142-L144 VanDerWaalsContact C-N 3.3Å; N142-L144 PolarHBondContact O-N 2.96Å |
| 145 | S | 90.9 | Very high | 90.1 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 151.2 | 172.6 | -44.6 | 0 | 0 | 0 | 0 | 110.9 | G26 R59 C135 K136 | G26-S145 WeakPolarHBondContact O-CA 3.16Å; G26-S145 WeakPolarHBondContact O-CB 3.37Å; G26-S145 PolarHBondContact O-N 2.81Å; G26-S145 PolarHBondContact O-OG 2.86Å; R59-S145 PolarHBondContact NH2-OG 2.87Å; C135-S145 VanDerWaalsContact SG-CB 3.53Å; K136-S145 CarbonylContact O-C 3.56Å; K136-S145 WeakPolarHBondContact O-CA 3.43Å; K136-S145 WeakPolarHBondContact O-CB 3.23Å |
| 146 | I | 91.5 | Very high | 90 | Very high | 33 Ų | 33 | 60.3 Ų | 60.3 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148.6 | 170.1 | 53.7 | 169.6 | 0 | 0 | 0 | 110.1 | K136 V148 | K136-I146 HydrophobicContact CB-CG1 4.39Å; K136-I146 PolarHBondContact N-O 3.03Å; K136-I146 PolarHBondContact O-N 3.32Å; I146-V148 HydrophobicContact CD1-CG2 3.74Å; I146-V148 HydrophobicContact CG1-CG2 3.9Å |
| 147 | F | 95 | Very high | 89.8 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 4% | 0.044 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.8 | 171 | -58 | -60.4 | 0 | 0 | 0 | 109.4 | F9 I23 F112 F115 V116 F133 C135 | F9-F147 AromaticContact CE1-CE1 3.8Å; F9-F147 HydrophobicContact CE1-CE1 3.8Å; F9-F147 HydrophobicContact CE1-CZ 4.14Å; F9-F147 HydrophobicContact CZ-CE1 4.17Å; I23-F147 HydrophobicContact CG2-CE2 4.25Å; I23-F147 HydrophobicContact CG2-CZ 4.26Å; F112-F147 HydrophobicContact CB-CD2 3.99Å; F112-F147 HydrophobicContact CB-CE2 3.98Å; F112-F147 HydrophobicContact CD1-CE1 4.2Å; F112-F147 HydrophobicContact CD1-CE2 4.09Å; F112-F147 AromaticContact CD1-CZ 3.91Å; F112-F147 HydrophobicContact CD1-CZ 3.91Å; F112-F147 WeakPolarHBondContact O-CD2 3.29Å; F112-F147 WeakPolarHBondContact O-CE2 3.35Å; F115-F147 CarbonylContact C-O 3.52Å; F115-F147 WeakPolarHBondContact CA-O 3.49Å; F115-F147 HydrophobicContact CD1-CB 3.51Å; F115-F147 HydrophobicContact CD1-CG 4.48Å; F115-F147 HydrophobicContact CE1-CB 3.94Å; F115-F147 HydrophobicContact CE1-CG 4.48Å; F115-F147 HydrophobicContact CG-CB 4.28Å; V116-F147 PolarHBondContact N-O 2.91Å; F133-F147 HydrophobicContact CD2-CB 3.88Å; F133-F147 AromaticContact CD2-CD1 3.92Å; F133-F147 HydrophobicContact CD2-CD1 3.92Å; F133-F147 HydrophobicContact CD2-CG 4.19Å; F133-F147 HydrophobicContact CE2-CB 4.21Å; F133-F147 AromaticContact CE2-CD1 3.63Å; F133-F147 HydrophobicContact CE2-CD1 3.63Å; F133-F147 HydrophobicContact CE2-CE1 4.28Å; F133-F147 HydrophobicContact CE2-CG 4.04Å; C135-F147 HydrophobicContact CB-CD1 4.24Å; C135-F147 HydrophobicContact CB-CE1 4.18Å |
| 148 | V | 94.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 118.4 | -174.2 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | M118 F133 R134 K136 I146 | M118-V148 HydrophobicContact CB-CG1 4.1Å; M118-V148 HydrophobicContact CG-CG1 4.11Å; M118-V148 HydrophobicContact CG-CG2 4.3Å; F133-V148 VanDerWaalsContact CA-O 3.29Å; F133-V148 WeakPolarHBondContact CA-O 3.25Å; F133-V148 WeakPolarHBondContact CB-O 3.13Å; R134-V148 PolarHBondContact N-O 3.03Å; R134-V148 PolarHBondContact O-N 3.49Å; K136-V148 HydrophobicContact CD-CG2 4.34Å; I146-V148 HydrophobicContact CD1-CG2 3.74Å; I146-V148 HydrophobicContact CG1-CG2 3.9Å |
| 149 | P | 95.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 140 | 170.5 | -23.9 | 35.1 | 0 | 0 | 0 | 111 | F115 V116 D117 L121 F131 | F115-P149 HydrophobicContact CB-CG 4.26Å; V116-P149 VanDerWaalsContact O-CD 3.25Å; V116-P149 WeakPolarHBondContact O-CD 3.29Å; D117-P149 HydrophobicContact CB-CG 4.49Å; L121-P149 HydrophobicContact CD1-CB 4.27Å; F131-P149 HydrophobicContact CD2-CB 3.77Å; F131-P149 HydrophobicContact CD2-CG 3.97Å; F131-P149 HydrophobicContact CE2-CB 4.22Å; F131-P149 HydrophobicContact CE2-CG 3.91Å |
| 150 | V | 94.1 | Very high | 88.1 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | -22.7 | 176.6 | -63.4 | 0 | 0 | 0 | 0 | 113.1 | Q132 R134 | Q132-V150 HydrophobicContact CB-CG2 3.79Å; Q132-V150 WeakPolarHBondContact O-CG2 3.35Å; Q132-V150 PolarHBondContact O-N 3.11Å; R134-V150 HydrophobicContact CB-CG1 4.35Å; R134-V150 HydrophobicContact CG-CG1 3.63Å; R134-V150 VanDerWaalsContact NE-CG1 3.26Å |
| 151 | R | 94.6 | Very high | 86.9 | Confident | 155 Ų | 155 | 66.6 Ų | 66.6 | 59% | 0.585 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 125.9 | 179.3 | -178.8 | -179.4 | 178.5 | -171.5 | 0.6 | 110.7 | F131 Q132 | F131-R151 CarbonylContact C-O 3.49Å; F131-R151 VanDerWaalsContact CA-O 3.25Å; F131-R151 WeakPolarHBondContact CA-O 3.35Å; F131-R151 VanDerWaalsContact CB-O 3.32Å; F131-R151 WeakPolarHBondContact CB-O 3.27Å; Q132-R151 HydrophobicContact CB-CB 4.28Å; Q132-R151 PolarHBondContact N-O 2.93Å; Q132-R151 PolarHBondContact O-N 2.81Å |
| 152 | V | 95.5 | Very high | 85.7 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.1 | 167 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | L121 I122 V129 Y155 | L121-V152 HydrophobicContact CB-CG2 4.14Å; I122-V152 HydrophobicContact CD1-CG2 3.68Å; V129-V152 HydrophobicContact CG1-CG1 3.95Å; V129-V152 HydrophobicContact CG1-CG2 4.24Å; V152-Y155 HydrophobicContact CG1-CD2 4.24Å; V152-Y155 HydrophobicContact CG1-CE2 3.71Å |
| 153 | I | 95.6 | Very high | 84.7 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -49.8 | 176.2 | -62.3 | 171.8 | 0 | 0 | 0 | 109.9 | T91 V130 Q132 | T91-I153 HydrophobicContact CG2-CD1 3.44Å; T91-I153 VanDerWaalsContact CG2-CD1 3.44Å; V130-I153 HydrophobicContact CB-CB 4.35Å; V130-I153 HydrophobicContact CG1-CB 4.24Å; V130-I153 HydrophobicContact CG1-CD1 4.31Å; V130-I153 PolarHBondContact O-N 3.2Å; Q132-I153 HydrophobicContact CG-CD1 3.9Å; Q132-I153 HydrophobicContact CG-CG1 4.32Å |
| 154 | A | 94.3 | Very high | 83.6 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 160.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V130 | V130-A154 HydrophobicContact CB-CB 4.17Å; V130-A154 HydrophobicContact CG2-CB 4.11Å; V130-A154 PolarHBondContact N-O 2.92Å; V130-A154 PolarHBondContact O-N 2.87Å |
| 155 | Y | 93.4 | Very high | 82.3 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130 | 166.2 | -67.4 | -84.2 | 0 | 0 | 0 | 108.7 | A123 V124 K127 L128 V129 V152 | A123-Y155 PolarHBondContact N-OH 2.94Å; A123-Y155 VanDerWaalsContact N-OH 3.1Å; V124-Y155 HydrophobicContact CB-CD1 3.94Å; V124-Y155 HydrophobicContact CB-CE1 3.74Å; V124-Y155 HydrophobicContact CG2-CD1 4.48Å; V124-Y155 HydrophobicContact CG2-CE1 4.24Å; V124-Y155 HydrophobicContact CG2-CE2 4.42Å; K127-Y155 HydrophobicContact CB-CD1 3.94Å; K127-Y155 HydrophobicContact CB-CG 4.49Å; L128-Y155 WeakPolarHBondContact O-CA 3.31Å; V129-Y155 HydrophobicContact CG1-CD1 4.39Å; V129-Y155 HydrophobicContact CG1-CE1 4.1Å; V129-Y155 HydrophobicContact CG2-CD1 4.01Å; V129-Y155 HydrophobicContact CG2-CE1 3.83Å; V152-Y155 HydrophobicContact CG1-CD2 4.24Å; V152-Y155 HydrophobicContact CG1-CE2 3.71Å |
| 156 | H | 89.2 | Confident | 80.7 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 158.7 | 175.7 | -62.2 | -49.6 | 0 | 0 | 0 | 110.7 | K127 L128 V130 | K127-H156 CarbonylContact C-O 3.59Å; K127-H156 WeakPolarHBondContact CA-O 3.46Å; K127-H156 WeakPolarHBondContact CB-O 2.87Å; K127-H156 WeakPolarHBondContact CD-O 3.44Å; L128-H156 HydrophobicContact CB-CB 4.38Å; L128-H156 PolarHBondContact N-O 3.35Å; L128-H156 PolarHBondContact O-N 2.96Å; V130-H156 WeakPolarHBondContact CG2-CD2 3.34Å; V130-H156 WeakPolarHBondContact CG2-NE2 3.36Å |
| 157 | D | 87.1 | Confident | 79.1 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 65% | 0.647 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 145.3 | 169.7 | -70 | -59 | 0 | 0 | 0 | 110.8 | K127 | K127-D157 IonicContact NZ-OD1 2.8Å; K127-D157 PolarHBondContact NZ-OD1 2.98Å |
| 158 | M | 75.9 | Confident | 77.2 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 41% | 0.414 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 132.6 | 177.2 | -75.8 | -65.7 | -65.8 | 0 | 0 | 109.3 | R95 K127 L128 | R95-M158 HydrophobicContact CB-CE 3.89Å; R95-M158 HydrophobicContact CB-SD 4.24Å; K127-M158 VanDerWaalsContact C-SD 3.51Å; L128-M158 HydrophobicContact CB-SD 4.34Å |
| 159 | P | 70.8 | Confident | 75.3 | Confident | 31 Ų | 31 | 82.2 Ų | 82.2 | 20% | 0.201 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 161.8 | 171.5 | 27.2 | -32.8 | 0 | 0 | 0 | 110.4 | D163 F166 | P159-D163 HydrophobicContact CB-CB 4.15Å; P159-D163 HydrophobicContact CG-CB 4.39Å; P159-F166 HydrophobicContact CB-CE2 4.49Å; P159-F166 HydrophobicContact CG-CD2 3.55Å; P159-F166 HydrophobicContact CG-CE2 3.66Å; P159-F166 HydrophobicContact CG-CG 4.34Å |
| 160 | P | 71.1 | Confident | 73.5 | Confident | 106 Ų | 106 | 84.9 Ų | 84.9 | 69% | 0.688 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -51 | 146.6 | 174.8 | -26.3 | 35.1 | 0 | 0 | 0 | 112.1 | D162 D163 | P160-D162 PolarHBondContact O-N 3.05Å; P160-D163 PolarHBondContact O-N 2.81Å |
| 161 | Q | 58.2 | Low | 72.3 | Confident | 180 Ų | 180 | 87.7 Ų | 87.7 | 84% | 0.841 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -4.9 | -171.4 | -152.6 | 172.4 | 8.4 | 0 | 0 | 114.5 | R167 | Q161-R167 PolarHBondContact O-NE 3.2Å; Q161-R167 VanDerWaalsContact O-NE 3.15Å; Q161-R167 PolarHBondContact O-NH2 2.92Å |
| 162 | D | 57.4 | Low | 71.5 | Confident | 117 Ų | 117 | 83 Ų | 83 | 63% | 0.626 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -1.2 | 177.3 | -61.9 | -60.3 | 0 | 0 | 0 | 114.8 | P160 P164 R167 | P160-D162 PolarHBondContact O-N 3.05Å; D162-P164 VanDerWaalsContact O-CD 3.29Å; D162-P164 WeakPolarHBondContact O-CD 3.35Å; D162-R167 IonicContact OD1-CZ 2.69Å; D162-R167 IonicContact OD1-NH1 3.96Å; D162-R167 IonicContact OD1-NH2 3.62Å; D162-R167 PolarHBondContact OD1-NH2 2.9Å |
| 163 | D | 62 | Low | 71 | Confident | 26 Ų | 26 | 86.9 Ų | 86.9 | 14% | 0.139 | 43% | 0.433 | C | S | . | . | trans | -66.1 | 115.1 | -179.6 | -170.8 | -35.9 | 0 | 0 | 0 | 111.9 | P159 P160 R165 F166 R167 | P159-D163 HydrophobicContact CB-CB 4.15Å; P159-D163 HydrophobicContact CG-CB 4.39Å; P160-D163 PolarHBondContact O-N 2.81Å; D163-R165 PolarHBondContact O-N 2.83Å; D163-R165 VanDerWaalsContact O-N 3.1Å; D163-R165 VanDerWaalsContact OD1-CB 3.32Å; D163-R165 WeakPolarHBondContact OD1-CB 3.33Å; D163-R165 WeakPolarHBondContact OD1-CG 3.25Å; D163-R165 IonicContact OD1-CZ 2.78Å; D163-R165 PolarHBondContact OD1-N 2.83Å; D163-R165 IonicContact OD1-NE 2.66Å; D163-R165 PolarHBondContact OD1-NE 3.37Å; D163-R165 IonicContact OD1-NH2 3.9Å; D163-R165 IonicContact OD2-CZ 3.13Å; D163-R165 IonicContact OD2-NE 3.16Å; D163-R165 PolarHBondContact OD2-NE 3.04Å; D163-R165 IonicContact OD2-NH2 3.42Å; D163-R165 PolarHBondContact OD2-NH2 2.9Å; D163-F166 HydrophobicContact CB-CD2 3.95Å; D163-F166 PolarHBondContact O-N 2.99Å; D163-R167 PolarHBondContact O-N 2.76Å | ||
| 164 | P | 61 | Low | 70.7 | Confident | 82 Ų | 82 | 86.4 Ų | 86.4 | 53% | 0.532 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -0.5 | -172.5 | 32.1 | -37.5 | 0 | 0 | 0 | 114.2 | R110 D162 | R110-P164 PolarHBondContact NH1-O 2.86Å; R110-P164 VanDerWaalsContact NH1-O 3.07Å; D162-P164 VanDerWaalsContact O-CD 3.29Å; D162-P164 WeakPolarHBondContact O-CD 3.35Å |
| 165 | R | 60.2 | Low | 70.7 | Confident | 157 Ų | 157 | 85.4 Ų | 85.4 | 59% | 0.592 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.8 | 172.7 | -60.5 | 174.2 | -67.3 | 173.1 | 0.4 | 112.9 | R110 D163 | R110-R165 WeakPolarHBondContact CB-O 3.43Å; D163-R165 PolarHBondContact O-N 2.83Å; D163-R165 VanDerWaalsContact O-N 3.1Å; D163-R165 VanDerWaalsContact OD1-CB 3.32Å; D163-R165 WeakPolarHBondContact OD1-CB 3.33Å; D163-R165 WeakPolarHBondContact OD1-CG 3.25Å; D163-R165 IonicContact OD1-CZ 2.78Å; D163-R165 PolarHBondContact OD1-N 2.83Å; D163-R165 IonicContact OD1-NE 2.66Å; D163-R165 PolarHBondContact OD1-NE 3.37Å; D163-R165 IonicContact OD1-NH2 3.9Å; D163-R165 IonicContact OD2-CZ 3.13Å; D163-R165 IonicContact OD2-NE 3.16Å; D163-R165 PolarHBondContact OD2-NE 3.04Å; D163-R165 IonicContact OD2-NH2 3.42Å; D163-R165 PolarHBondContact OD2-NH2 2.9Å |
| 166 | F | 57.3 | Low | 70.8 | Confident | 17 Ų | 17 | 83.5 Ų | 83.5 | 8% | 0.075 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -12.8 | -174.1 | -54.8 | -72.5 | 0 | 0 | 0 | 113.9 | R95 L128 P159 D163 R168 | R95-F166 PolarHBondContact NE-O 2.92Å; R95-F166 PolarHBondContact NH2-O 3.45Å; L128-F166 HydrophobicContact CD1-CD1 3.94Å; L128-F166 HydrophobicContact CD1-CE1 3.41Å; L128-F166 VanDerWaalsContact CD1-CE1 3.41Å; L128-F166 HydrophobicContact CD1-CZ 3.82Å; L128-F166 HydrophobicContact CD2-CE1 4.44Å; L128-F166 HydrophobicContact CD2-CZ 4.02Å; P159-F166 HydrophobicContact CB-CE2 4.49Å; P159-F166 HydrophobicContact CG-CD2 3.55Å; P159-F166 HydrophobicContact CG-CE2 3.66Å; P159-F166 HydrophobicContact CG-CG 4.34Å; D163-F166 HydrophobicContact CB-CD2 3.95Å; D163-F166 PolarHBondContact O-N 2.99Å; F166-R168 PolarHBondContact O-N 3.5Å |
| 167 | R | 58.1 | Low | 71.1 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 46% | 0.464 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -64.1 | 130.6 | 160.9 | -69.7 | -171.8 | 170.1 | 178.9 | -2.4 | 108.6 | Q161 D162 D163 | Q161-R167 PolarHBondContact O-NE 3.2Å; Q161-R167 VanDerWaalsContact O-NE 3.15Å; Q161-R167 PolarHBondContact O-NH2 2.92Å; D162-R167 IonicContact OD1-CZ 2.69Å; D162-R167 IonicContact OD1-NH1 3.96Å; D162-R167 IonicContact OD1-NH2 3.62Å; D162-R167 PolarHBondContact OD1-NH2 2.9Å; D163-R167 PolarHBondContact O-N 2.76Å |
| 168 | R | 54.5 | Low | 71.5 | Confident | 47 Ų | 47 | 73 Ų | 73 | 18% | 0.177 | 37% | 0.369 | C | S | . | . | trans | -61.8 | 142.3 | 153.2 | -83.3 | 177.7 | -175 | -178.3 | 8.6 | 106 | D97 Y108 N114 F166 P170 E224 | D97-R168 IonicContact OD1-CZ 3.76Å; D97-R168 IonicContact OD1-NE 3.64Å; D97-R168 IonicContact OD1-NH2 3.12Å; D97-R168 PolarHBondContact OD1-NH2 2.87Å; D97-R168 IonicContact OD2-CZ 3.31Å; D97-R168 IonicContact OD2-NH2 2.61Å; D97-R168 PolarHBondContact OD2-NH2 2.94Å; Y108-R168 HydrophobicContact CD1-CG 3.91Å; Y108-R168 HydrophobicContact CD2-CG 4.03Å; Y108-R168 VanDerWaalsContact CD2-NE 3.33Å; Y108-R168 HydrophobicContact CE1-CB 4.33Å; Y108-R168 HydrophobicContact CE1-CG 3.41Å; Y108-R168 VanDerWaalsContact CE1-CG 3.41Å; Y108-R168 HydrophobicContact CE2-CG 3.53Å; Y108-R168 HydrophobicContact CG-CG 4.21Å; Y108-R168 WeakPolarHBondContact OH-CG 3.46Å; N114-R168 PolarHBondContact ND2-NH2 2.87Å; N114-R168 PolarHBondContact OD1-NH2 2.99Å; F166-R168 PolarHBondContact O-N 3.5Å; R168-P170 WeakPolarHBondContact O-CD 3.32Å; R168-P170 VanDerWaalsContact O-N 3.16Å; R168-E224 WeakPolarHBondContact CD-OE1 3.15Å; R168-E224 WeakPolarHBondContact CD-OE2 3.35Å; R168-E224 IonicContact CZ-OE1 2.73Å; R168-E224 IonicContact CZ-OE2 3.15Å; R168-E224 IonicContact NE-OE1 2.68Å; R168-E224 IonicContact NE-OE2 2.82Å; R168-E224 IonicContact NH1-OE1 2.84Å; R168-E224 PolarHBondContact NH1-OE1 2.66Å; R168-E224 IonicContact NH1-OE2 2.72Å; R168-E224 PolarHBondContact NH1-OE2 3.17Å | ||
| 169 | D | 55.6 | Low | 72.4 | Confident | 107 Ų | 107 | 69 Ų | 69 | 57% | 0.572 | 35% | 0.349 | S | S | * | . | trans | -67.9 | 107.1 | 160.8 | -70.9 | -55.8 | 0 | 0 | 0 | 104.9 | R110 E171 | R110-D169 IonicContact CZ-OD1 3.33Å; R110-D169 IonicContact CZ-OD2 3.53Å; R110-D169 VanDerWaalsContact CZ-OD2 3.31Å; R110-D169 IonicContact NE-OD2 3.77Å; R110-D169 PolarHBondContact NE-OD2 2.68Å; R110-D169 VanDerWaalsContact NE-OD2 3.12Å; R110-D169 VanDerWaalsContact NH2-CG 3.27Å; R110-D169 IonicContact NH2-OD1 2.87Å; R110-D169 PolarHBondContact NH2-OD1 3.45Å; R110-D169 IonicContact NH2-OD2 3.88Å; R110-D169 PolarHBondContact NH2-OD2 2.62Å; D169-E171 PolarHBondContact O-N 2.8Å | ||
| 170 | P | 58.1 | Low | 73.5 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -63.7 | 134.2 | -169.6 | 24 | -31.7 | 0 | 0 | 0 | 109.2 | R168 C172 | R168-P170 WeakPolarHBondContact O-CD 3.32Å; R168-P170 VanDerWaalsContact O-N 3.16Å; P170-C172 VanDerWaalsContact CG-SG 3.51Å; P170-C172 PolarHBondContact O-N 2.95Å; P170-C172 PolarHBondContact O-SG 2.8Å; P170-C172 VanDerWaalsContact O-SG 3.37Å | ||
| 171 | E | 67.5 | Low | 74.3 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | trans | -70.7 | 79.9 | 170.4 | -163.2 | -166.5 | 148.2 | 0 | 0 | 108.4 | D169 R173 M223 | D169-E171 PolarHBondContact O-N 2.8Å; E171-R173 PolarHBondContact O-N 2.82Å; E171-R173 IonicContact OE1-CZ 3.89Å; E171-R173 IonicContact OE1-NE 2.97Å; E171-R173 PolarHBondContact OE1-NE 2.77Å; E171-R173 IonicContact OE1-NH2 3.14Å; E171-R173 PolarHBondContact OE1-NH2 3.28Å; E171-M223 HydrophobicContact CB-CB 4.49Å; E171-M223 WeakPolarHBondContact O-CB 3.45Å; E171-M223 WeakPolarHBondContact O-CG 3.41Å; E171-M223 PolarHBondContact O-N 3.42Å | ||
| 172 | C | 78.4 | Confident | 75.5 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.4 | -178.9 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | P170 I221 I229 | P170-C172 VanDerWaalsContact CG-SG 3.51Å; P170-C172 PolarHBondContact O-N 2.95Å; P170-C172 PolarHBondContact O-SG 2.8Å; P170-C172 VanDerWaalsContact O-SG 3.37Å; C172-I221 VanDerWaalsContact CA-O 3.31Å; C172-I221 WeakPolarHBondContact CA-O 3.42Å; C172-I229 HydrophobicContact CB-CD1 4.34Å; C172-I229 WeakPolarHBondContact SG-CD1 3.47Å |
| 173 | R | 84.3 | Confident | 76.6 | Confident | 120 Ų | 120 | 53.9 Ų | 53.9 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.9 | 166.8 | -64.1 | -173.5 | -173.4 | -179.4 | 2.2 | 109.6 | E171 V175 I221 M223 | E171-R173 PolarHBondContact O-N 2.82Å; E171-R173 IonicContact OE1-CZ 3.89Å; E171-R173 IonicContact OE1-NE 2.97Å; E171-R173 PolarHBondContact OE1-NE 2.77Å; E171-R173 IonicContact OE1-NH2 3.14Å; E171-R173 PolarHBondContact OE1-NH2 3.28Å; R173-V175 HydrophobicContact CB-CG1 4.13Å; R173-V175 PolarHBondContact O-N 2.98Å; R173-I221 PolarHBondContact N-O 2.88Å; R173-I221 PolarHBondContact O-N 3.06Å; R173-M223 HydrophobicContact CB-CG 4.01Å; R173-M223 HydrophobicContact CB-SD 4Å; R173-M223 HydrophobicContact CG-CG 3.69Å; R173-M223 HydrophobicContact CG-SD 4.15Å |
| 174 | T | 91.1 | Very high | 77 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.8 | 163.8 | -47.3 | 0 | 0 | 0 | 0 | 107.6 | E218 M219 D220 | T174-E218 HydrophobicContact CG2-CG 3.54Å; T174-M219 WeakPolarHBondContact CA-O 3.39Å; T174-D220 WeakPolarHBondContact CB-OD1 3.43Å; T174-D220 PolarHBondContact OG1-OD1 3.38Å |
| 175 | V | 93.9 | Very high | 77.4 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 156.3 | -179 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | R173 Q194 L195 E218 M219 I221 | R173-V175 HydrophobicContact CB-CG1 4.13Å; R173-V175 PolarHBondContact O-N 2.98Å; V175-Q194 VanDerWaalsContact CA-OE1 3.26Å; V175-Q194 HydrophobicContact CB-CB 4.36Å; V175-Q194 HydrophobicContact CG1-CB 3.95Å; V175-L195 HydrophobicContact CG1-CD2 4.25Å; V175-L195 HydrophobicContact CG2-CD1 4.23Å; V175-L195 HydrophobicContact CG2-CD2 4.41Å; V175-E218 WeakPolarHBondContact O-CA 3.42Å; V175-M219 HydrophobicContact CG2-CE 3.84Å; V175-M219 HydrophobicContact CG2-CG 3.71Å; V175-M219 HydrophobicContact CG2-SD 4.49Å; V175-M219 PolarHBondContact N-O 3.01Å; V175-M219 PolarHBondContact O-N 2.94Å; V175-I221 HydrophobicContact CG2-CD1 3.4Å; V175-I221 VanDerWaalsContact CG2-CD1 3.4Å; V175-I221 HydrophobicContact CG2-CG1 3.93Å |
| 176 | V | 95.8 | Very high | 78.3 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 22% | 0.218 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.8 | 174 | -178 | 0 | 0 | 0 | 0 | 109.6 | S192 Q194 W216 I217 E218 V235 I238 | V176-S192 VanDerWaalsContact O-CB 3.32Å; V176-S192 WeakPolarHBondContact O-CB 3.15Å; V176-S192 PolarHBondContact O-OG 3.42Å; V176-Q194 VanDerWaalsContact N-OE1 3.17Å; V176-W216 HydrophobicContact CG1-CE3 4.09Å; V176-I217 CarbonylContact C-O 3.56Å; V176-I217 WeakPolarHBondContact CA-O 3.49Å; V176-E218 HydrophobicContact CG2-CB 4.36Å; V176-V235 HydrophobicContact CG1-CG2 3.89Å; V176-I238 HydrophobicContact CB-CD1 4.32Å; V176-I238 HydrophobicContact CG1-CD1 3.69Å; V176-I238 HydrophobicContact CG1-CG1 4.42Å |
| 177 | G | 95.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 166.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | F191 W216 I217 | G177-F191 CarbonylContact C-O 3.49Å; G177-F191 WeakPolarHBondContact CA-O 3.46Å; G177-W216 CarbonylContact O-C 3.58Å; G177-W216 WeakPolarHBondContact O-CA 3.47Å; G177-I217 PolarHBondContact N-O 2.98Å; G177-I217 PolarHBondContact O-N 2.83Å |
| 178 | F | 95.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.9 | 178.9 | 171.2 | -104.9 | 0 | 0 | 0 | 110.1 | C180 V190 F191 G214 W216 T241 P248 I250 W309 | F178-C180 HydrophobicContact CD1-CB 3.88Å; F178-C180 HydrophobicContact CE1-CB 4.04Å; F178-C180 PolarHBondContact O-N 3.15Å; F178-V190 WeakPolarHBondContact O-CA 3.05Å; F178-F191 PolarHBondContact N-O 3.35Å; F178-F191 PolarHBondContact O-N 2.82Å; F178-G214 WeakPolarHBondContact CE2-O 3.32Å; F178-W216 HydrophobicContact CB-CD2 4.04Å; F178-W216 HydrophobicContact CB-CE3 3.92Å; F178-W216 HydrophobicContact CB-CH2 3.97Å; F178-W216 HydrophobicContact CB-CZ2 4.05Å; F178-W216 HydrophobicContact CB-CZ3 3.89Å; F178-W216 HydrophobicContact CD2-CD2 4.4Å; F178-W216 HydrophobicContact CD2-CZ2 4.49Å; F178-W216 AromaticContact CD2-NE1 3.99Å; F178-T241 HydrophobicContact CD2-CG2 3.91Å; F178-T241 HydrophobicContact CE2-CG2 3.48Å; F178-T241 VanDerWaalsContact CE2-CG2 3.48Å; F178-T241 HydrophobicContact CZ-CG2 4.46Å; F178-P248 HydrophobicContact CE1-CB 3.8Å; F178-P248 HydrophobicContact CE2-CB 4.49Å; F178-P248 HydrophobicContact CZ-CB 3.48Å; F178-P248 VanDerWaalsContact CZ-CB 3.48Å; F178-I250 HydrophobicContact CB-CD1 4.33Å; F178-I250 HydrophobicContact CD1-CD1 3.6Å; F178-I250 HydrophobicContact CD1-CG1 3.98Å; F178-I250 HydrophobicContact CD2-CD1 4.26Å; F178-I250 HydrophobicContact CD2-CG1 4.26Å; F178-I250 HydrophobicContact CE1-CD1 3.8Å; F178-I250 HydrophobicContact CE1-CG1 3.65Å; F178-I250 HydrophobicContact CE2-CD1 4.45Å; F178-I250 HydrophobicContact CE2-CG1 3.98Å; F178-I250 HydrophobicContact CG-CD1 3.81Å; F178-I250 HydrophobicContact CG-CG1 4.23Å; F178-I250 HydrophobicContact CZ-CD1 4.21Å; F178-I250 HydrophobicContact CZ-CG1 3.64Å; F178-W309 HydrophobicContact CD1-CH2 4.22Å; F178-W309 HydrophobicContact CE1-CH2 4.48Å |
| 179 | V | 94.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 96.4 | 179 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | S181 Q188 Y189 V190 L201 M212 G214 K215 I217 | V179-S181 VanDerWaalsContact C-N 3.35Å; V179-S181 PolarHBondContact O-N 2.8Å; V179-Q188 HydrophobicContact CG1-CB 3.82Å; V179-Q188 HydrophobicContact CG1-CG 4.41Å; V179-Y189 CarbonylContact C-O 3.52Å; V179-Y189 WeakPolarHBondContact CA-O 2.92Å; V179-V190 HydrophobicContact CG2-CG1 4.42Å; V179-V190 HydrophobicContact CG2-CG2 4.31Å; V179-L201 HydrophobicContact CG2-CD2 4.23Å; V179-M212 WeakPolarHBondContact CB-O 3.23Å; V179-M212 HydrophobicContact CG2-CB 4.01Å; V179-M212 WeakPolarHBondContact CG2-O 3.34Å; V179-G214 PolarHBondContact O-N 3.09Å; V179-K215 PolarHBondContact N-O 3.15Å; V179-I217 HydrophobicContact CG2-CD1 3.82Å; V179-I217 HydrophobicContact CG2-CG1 4.18Å; V179-I217 HydrophobicContact CG2-CG2 4.04Å |
| 180 | C | 92.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | trans | -89 | 4.5 | -168.3 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | F178 Y189 R299 | F178-C180 HydrophobicContact CD1-CB 3.88Å; F178-C180 HydrophobicContact CE1-CB 4.04Å; F178-C180 PolarHBondContact O-N 3.15Å; C180-Y189 PolarHBondContact N-O 2.86Å; C180-Y189 PolarHBondContact SG-O 2.94Å; C180-Y189 VanDerWaalsContact SG-O 3.38Å; C180-R299 HydrophobicContact CB-CB 3.81Å; C180-R299 HydrophobicContact CB-CG 4Å | ||
| 181 | S | 87.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -141.8 | 152.7 | 173 | 81.6 | 0 | 0 | 0 | 0 | 112.9 | V179 Q188 Y189 | V179-S181 VanDerWaalsContact C-N 3.35Å; V179-S181 PolarHBondContact O-N 2.8Å; S181-Q188 PolarHBondContact O-NE2 3.43Å; S181-Q188 VanDerWaalsContact O-NE2 3.15Å; S181-Y189 PolarHBondContact OG-N 3.27Å |
| 182 | G | 85.1 | Confident | 87.4 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 23% | 0.227 | 19% | 0.193 | C | C | . | . | trans | -64.3 | 170.7 | 155 | 0 | 0 | 0 | 0 | 0 | 112 | K184 T213 | G182-K184 PolarHBondContact O-N 2.7Å; G182-T213 WeakPolarHBondContact CA-OG1 3.47Å | ||
| 183 | F | 80.3 | Confident | 87.9 | Confident | 88 Ų | 88 | 37.6 Ų | 37.6 | 39% | 0.386 | 20% | 0.198 | S | C | . | . | trans | -60.7 | 121.2 | 175.3 | -85.5 | -84.2 | 0 | 0 | 0 | 111.6 | Y187 Q188 E203 | F183-Y187 WeakPolarHBondContact CA-O 3.4Å; F183-Q188 HydrophobicContact CB-CG 4.42Å; F183-Q188 HydrophobicContact CD1-CG 3.73Å; F183-Q188 HydrophobicContact CD2-CG 3.63Å; F183-Q188 HydrophobicContact CE1-CG 3.78Å; F183-Q188 HydrophobicContact CE2-CG 3.68Å; F183-Q188 HydrophobicContact CG-CG 3.66Å; F183-Q188 HydrophobicContact CZ-CG 3.76Å; F183-E203 HydrophobicContact CE1-CB 4.05Å; F183-E203 HydrophobicContact CZ-CB 4.32Å | ||
| 184 | K | 70.3 | Confident | 87.9 | Confident | 87 Ų | 87 | 37.5 Ų | 37.5 | 38% | 0.378 | 20% | 0.202 | S | C | . | . | B | Isolated β-bridge | trans | -135 | 130.2 | 175.5 | -72.4 | 174.5 | 177.5 | 167.2 | 0 | 108.2 | G182 G186 Y187 T498 Y499 | G182-K184 PolarHBondContact O-N 2.7Å; K184-G186 PolarHBondContact O-N 3.39Å; K184-G186 VanDerWaalsContact O-N 3.12Å; K184-Y187 PolarHBondContact N-O 3.12Å; K184-Y187 PolarHBondContact O-N 3.01Å; K184-T498 PolarHBondContact NZ-O 3.4Å; K184-Y499 PolarHBondContact NZ-O 3.19Å |
| 185 | N | 69.9 | Low | 87.7 | Confident | 134 Ų | 134 | 34.1 Ų | 34.1 | 72% | 0.717 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 28.7 | 178.9 | -53.3 | -33.1 | 0 | 0 | 0 | 115.4 | Y187 | N185-Y187 HydrophobicContact CB-CE1 3.98Å; N185-Y187 WeakPolarHBondContact O-CD1 3.28Å |
| 186 | G | 77.6 | Confident | 87 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 53% | 0.526 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 4.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K184 | K184-G186 PolarHBondContact O-N 3.39Å; K184-G186 VanDerWaalsContact O-N 3.12Å |
| 187 | Y | 85.8 | Confident | 86.4 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 166.7 | 176.7 | 58.1 | -84.2 | 0 | 0 | 0 | 111.9 | F183 K184 N185 Y189 H200 L201 Y202 | F183-Y187 WeakPolarHBondContact CA-O 3.4Å; K184-Y187 PolarHBondContact N-O 3.12Å; K184-Y187 PolarHBondContact O-N 3.01Å; N185-Y187 HydrophobicContact CB-CE1 3.98Å; N185-Y187 WeakPolarHBondContact O-CD1 3.28Å; Y187-Y189 HydrophobicContact CD2-CE2 4.49Å; Y187-Y189 HydrophobicContact CE2-CD1 4.28Å; Y187-Y189 HydrophobicContact CE2-CD2 4.25Å; Y187-Y189 AromaticContact CE2-CE1 3.76Å; Y187-Y189 HydrophobicContact CE2-CE1 3.76Å; Y187-Y189 AromaticContact CE2-CE2 3.73Å; Y187-Y189 HydrophobicContact CE2-CE2 3.73Å; Y187-Y189 AromaticContact CE2-CZ 3.47Å; Y187-Y189 VanDerWaalsContact CE2-CZ 3.47Å; Y187-Y189 PolarHBondContact OH-OH 3.03Å; Y187-H200 HydrophobicContact CD2-CB 3.84Å; Y187-H200 AromaticContact CD2-CD2 3.71Å; Y187-H200 AromaticContact CD2-CG 3.62Å; Y187-H200 HydrophobicContact CE2-CB 4.42Å; Y187-H200 AromaticContact CE2-CD2 3.48Å; Y187-H200 VanDerWaalsContact CE2-CD2 3.48Å; Y187-H200 WeakPolarHBondContact CE2-CD2 3.22Å; Y187-H200 AromaticContact CE2-CE1 3.8Å; Y187-H200 AromaticContact CE2-CG 3.69Å; Y187-H200 AromaticContact CE2-ND1 3.88Å; Y187-H200 AromaticContact CE2-NE2 3.56Å; Y187-H200 HydrophobicContact CG-CB 4.25Å; Y187-H200 AromaticContact CZ-CE1 3.97Å; Y187-L201 CarbonylContact C-O 3.59Å; Y187-L201 VanDerWaalsContact CA-O 3.24Å; Y187-L201 WeakPolarHBondContact CA-O 3.29Å; Y187-L201 WeakPolarHBondContact CB-O 3.36Å; Y187-Y202 HydrophobicContact CD1-CE1 4.02Å; Y187-Y202 HydrophobicContact CG-CE1 4.21Å |
| 188 | Q | 89.1 | Confident | 86 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 160.4 | 167.6 | -52.7 | -174.5 | -91.8 | 0 | 0 | 109.1 | V179 S181 F183 H200 L201 D211 T213 | V179-Q188 HydrophobicContact CG1-CB 3.82Å; V179-Q188 HydrophobicContact CG1-CG 4.41Å; S181-Q188 PolarHBondContact O-NE2 3.43Å; S181-Q188 VanDerWaalsContact O-NE2 3.15Å; F183-Q188 HydrophobicContact CB-CG 4.42Å; F183-Q188 HydrophobicContact CD1-CG 3.73Å; F183-Q188 HydrophobicContact CD2-CG 3.63Å; F183-Q188 HydrophobicContact CE1-CG 3.78Å; F183-Q188 HydrophobicContact CE2-CG 3.68Å; F183-Q188 HydrophobicContact CG-CG 3.66Å; F183-Q188 HydrophobicContact CZ-CG 3.76Å; Q188-H200 WeakPolarHBondContact O-CA 3.35Å; Q188-L201 HydrophobicContact CB-CB 4.32Å; Q188-L201 HydrophobicContact CB-CD2 4.45Å; Q188-L201 PolarHBondContact N-O 2.69Å; Q188-L201 PolarHBondContact O-N 2.87Å; Q188-D211 PolarHBondContact NE2-OD1 3.3Å; Q188-T213 PolarHBondContact NE2-OG1 3.29Å |
| 189 | Y | 90.1 | Very high | 85.7 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.7 | 173.2 | -70.9 | -85.2 | 0 | 0 | 0 | 111.5 | V179 C180 S181 Y187 D198 V199 H200 S497 Y499 | V179-Y189 CarbonylContact C-O 3.52Å; V179-Y189 WeakPolarHBondContact CA-O 2.92Å; C180-Y189 PolarHBondContact N-O 2.86Å; C180-Y189 PolarHBondContact SG-O 2.94Å; C180-Y189 VanDerWaalsContact SG-O 3.38Å; S181-Y189 PolarHBondContact OG-N 3.27Å; Y187-Y189 HydrophobicContact CD2-CE2 4.49Å; Y187-Y189 HydrophobicContact CE2-CD1 4.28Å; Y187-Y189 HydrophobicContact CE2-CD2 4.25Å; Y187-Y189 AromaticContact CE2-CE1 3.76Å; Y187-Y189 HydrophobicContact CE2-CE1 3.76Å; Y187-Y189 AromaticContact CE2-CE2 3.73Å; Y187-Y189 HydrophobicContact CE2-CE2 3.73Å; Y187-Y189 AromaticContact CE2-CZ 3.47Å; Y187-Y189 VanDerWaalsContact CE2-CZ 3.47Å; Y187-Y189 PolarHBondContact OH-OH 3.03Å; Y189-D198 HydrophobicContact CD1-CB 4.43Å; Y189-V199 CarbonylContact C-O 3.54Å; Y189-V199 WeakPolarHBondContact CA-O 3.35Å; Y189-H200 AromaticContact CD1-CD2 3.63Å; Y189-H200 AromaticContact CD1-NE2 3.94Å; Y189-H200 AromaticContact CE1-CD2 3.47Å; Y189-H200 VanDerWaalsContact CE1-CD2 3.47Å; Y189-H200 WeakPolarHBondContact CE1-CD2 3.11Å; Y189-H200 AromaticContact CE1-NE2 3.27Å; Y189-H200 VanDerWaalsContact CE1-NE2 3.27Å; Y189-H200 WeakPolarHBondContact CE1-NE2 3.28Å; Y189-S497 WeakPolarHBondContact CE2-OG 3.37Å; Y189-S497 PolarHBondContact OH-OG 3.36Å; Y189-Y499 AromaticContact CD1-CE1 3.95Å; Y189-Y499 HydrophobicContact CD1-CE1 3.95Å; Y189-Y499 AromaticContact CD1-CZ 3.97Å; Y189-Y499 WeakPolarHBondContact CD1-OH 3.48Å; Y189-Y499 HydrophobicContact CD2-CD1 4.26Å; Y189-Y499 AromaticContact CD2-CE1 3.52Å; Y189-Y499 HydrophobicContact CD2-CE1 3.52Å; Y189-Y499 HydrophobicContact CE1-CE1 4.46Å; Y189-Y499 VanDerWaalsContact CE1-OH 3.29Å; Y189-Y499 WeakPolarHBondContact CE1-OH 3.16Å; Y189-Y499 HydrophobicContact CE2-CE1 4.08Å; Y189-Y499 HydrophobicContact CG-CD1 4.46Å; Y189-Y499 AromaticContact CG-CE1 3.42Å; Y189-Y499 HydrophobicContact CG-CE1 3.42Å; Y189-Y499 VanDerWaalsContact CG-CE1 3.42Å; Y189-Y499 AromaticContact CG-CZ 3.93Å |
| 190 | V | 92.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 116.5 | -179.5 | -161.6 | 0 | 0 | 0 | 0 | 109.9 | F178 V179 D198 V199 L201 I217 M219 | F178-V190 WeakPolarHBondContact O-CA 3.05Å; V179-V190 HydrophobicContact CG2-CG1 4.42Å; V179-V190 HydrophobicContact CG2-CG2 4.31Å; V190-D198 CarbonylContact O-C 3.48Å; V190-D198 WeakPolarHBondContact O-CA 3.46Å; V190-V199 HydrophobicContact CB-CB 4.28Å; V190-V199 PolarHBondContact N-O 3.25Å; V190-V199 PolarHBondContact O-N 2.85Å; V190-L201 HydrophobicContact CG2-CB 3.66Å; V190-L201 HydrophobicContact CG2-CD2 4.25Å; V190-I217 HydrophobicContact CG1-CD1 3.87Å; V190-I217 HydrophobicContact CG1-CG1 3.96Å; V190-I217 HydrophobicContact CG2-CD1 3.94Å; V190-M219 HydrophobicContact CB-CE 4.13Å; V190-M219 HydrophobicContact CB-SD 4.28Å; V190-M219 HydrophobicContact CG1-CE 3.57Å; V190-M219 HydrophobicContact CG1-SD 4Å |
| 191 | F | 92.9 | Very high | 85.4 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.7 | 171.8 | 166.9 | -96.6 | 0 | 0 | 0 | 110.3 | G177 F178 Y273 F274 W309 | G177-F191 CarbonylContact C-O 3.49Å; G177-F191 WeakPolarHBondContact CA-O 3.46Å; F178-F191 PolarHBondContact N-O 3.35Å; F178-F191 PolarHBondContact O-N 2.82Å; F191-Y273 HydrophobicContact CE1-CE1 4.11Å; F191-F274 HydrophobicContact CD1-CE1 4.34Å; F191-F274 AromaticContact CE1-CD1 3.8Å; F191-F274 HydrophobicContact CE1-CD1 3.8Å; F191-F274 AromaticContact CE1-CE1 3.78Å; F191-F274 HydrophobicContact CE1-CE1 3.78Å; F191-F274 HydrophobicContact CZ-CD1 4.16Å; F191-W309 HydrophobicContact CB-CZ2 4.23Å; F191-W309 HydrophobicContact CD1-CH2 4.39Å; F191-W309 AromaticContact CD1-CZ2 3.62Å; F191-W309 HydrophobicContact CD1-CZ2 3.62Å; F191-W309 HydrophobicContact CD2-CZ2 4Å; F191-W309 AromaticContact CE1-CZ2 3.88Å; F191-W309 HydrophobicContact CE1-CZ2 3.88Å; F191-W309 HydrophobicContact CE2-CZ2 4.25Å; F191-W309 AromaticContact CE2-NE1 3.9Å; F191-W309 AromaticContact CG-CZ2 3.67Å; F191-W309 HydrophobicContact CG-CZ2 3.67Å; F191-W309 HydrophobicContact CZ-CZ2 4.19Å; F191-W309 AromaticContact CZ-NE1 3.95Å |
| 192 | S | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -135.8 | 145.7 | 161.5 | -176.9 | 0 | 0 | 0 | 0 | 111 | V176 Q194 R489 | V176-S192 VanDerWaalsContact O-CB 3.32Å; V176-S192 WeakPolarHBondContact O-CB 3.15Å; V176-S192 PolarHBondContact O-OG 3.42Å; S192-Q194 PolarHBondContact OG-N 2.8Å; S192-Q194 VanDerWaalsContact OG-N 3.14Å; S192-R489 PolarHBondContact O-NH1 2.83Å; S192-R489 VanDerWaalsContact O-NH1 3.09Å | ||
| 193 | K | 88.1 | Confident | 85.3 | Confident | 108 Ų | 108 | 50.4 Ų | 50.4 | 47% | 0.47 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26.5 | 168.9 | -176.2 | -176.8 | -174 | 175.6 | 0 | 112.2 | L195 G272 Y273 | K193-L195 PolarHBondContact O-N 3.3Å; K193-G272 WeakPolarHBondContact CE-O 3.43Å; K193-G272 PolarHBondContact NZ-O 3.49Å; K193-Y273 HydrophobicContact CB-CD1 4.47Å; K193-Y273 HydrophobicContact CB-CE1 4.11Å; K193-Y273 HydrophobicContact CD-CD1 4.4Å; K193-Y273 HydrophobicContact CD-CD2 3.82Å; K193-Y273 HydrophobicContact CD-CE2 4.08Å; K193-Y273 HydrophobicContact CD-CG 3.98Å |
| 194 | Q | 86.3 | Confident | 85.4 | Confident | 117 Ų | 117 | 51.9 Ų | 51.9 | 55% | 0.547 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4 | -176.4 | -66.8 | 168.9 | -40.4 | 0 | 0 | 113.2 | V175 V176 S192 | V175-Q194 VanDerWaalsContact CA-OE1 3.26Å; V175-Q194 HydrophobicContact CB-CB 4.36Å; V175-Q194 HydrophobicContact CG1-CB 3.95Å; V176-Q194 VanDerWaalsContact N-OE1 3.17Å; S192-Q194 PolarHBondContact OG-N 2.8Å; S192-Q194 VanDerWaalsContact OG-N 3.14Å |
| 195 | L | 85.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -124.6 | 157.4 | -174.1 | -53.6 | 175.2 | 0 | 0 | 0 | 110.9 | V175 K193 V199 M219 I221 M223 F226 R489 | V175-L195 HydrophobicContact CG1-CD2 4.25Å; V175-L195 HydrophobicContact CG2-CD1 4.23Å; V175-L195 HydrophobicContact CG2-CD2 4.41Å; K193-L195 PolarHBondContact O-N 3.3Å; L195-V199 HydrophobicContact CD1-CG2 3.28Å; L195-M219 HydrophobicContact CD1-CE 4.3Å; L195-I221 HydrophobicContact CD1-CD1 3.48Å; L195-I221 VanDerWaalsContact CD1-CD1 3.48Å; L195-I221 HydrophobicContact CD2-CD1 4.18Å; L195-I221 HydrophobicContact CG-CD1 4.45Å; L195-M223 HydrophobicContact CD2-CE 4.05Å; L195-M223 HydrophobicContact CD2-SD 3.88Å; L195-F226 HydrophobicContact CB-CE2 4.06Å; L195-F226 HydrophobicContact CB-CZ 3.92Å; L195-F226 HydrophobicContact CD1-CE2 4.17Å; L195-F226 HydrophobicContact CD1-CZ 3.79Å; L195-F226 HydrophobicContact CD2-CE2 4.02Å; L195-F226 HydrophobicContact CD2-CZ 4.47Å; L195-F226 HydrophobicContact CG-CE2 4.31Å; L195-F226 HydrophobicContact CG-CZ 4.28Å; L195-R489 PolarHBondContact O-NH1 3.44Å |
| 196 | D | 79.7 | Confident | 86.8 | Confident | 48 Ų | 48 | 43 Ų | 43 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -91.4 | -9.9 | 179.1 | 69.8 | -34.7 | 0 | 0 | 0 | 114 | R489 N490 | D196-R489 WeakPolarHBondContact O-CA 3.46Å; D196-R489 WeakPolarHBondContact O-CB 3.3Å; D196-R489 VanDerWaalsContact O-CG 3.25Å; D196-R489 WeakPolarHBondContact O-CG 3.46Å; D196-R489 PolarHBondContact O-NE 2.78Å; D196-N490 PolarHBondContact O-N 2.86Å; D196-N490 WeakPolarHBondContact OD2-CB 3.41Å; D196-N490 PolarHBondContact OD2-ND2 2.91Å |
| 197 | K | 82 | Confident | 86.9 | Confident | 88 Ų | 88 | 42.6 Ų | 42.6 | 38% | 0.383 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -141.9 | 170.9 | 175.6 | 27.2 | 158.5 | 179.9 | 168.7 | 0 | 110.8 | F226 R489 | K197-F226 HydrophobicContact CB-CE1 4.22Å; K197-F226 HydrophobicContact CB-CZ 4.24Å; K197-F226 HydrophobicContact CD-CD1 3.64Å; K197-F226 HydrophobicContact CD-CD2 4.3Å; K197-F226 HydrophobicContact CD-CE1 3.64Å; K197-F226 HydrophobicContact CD-CE2 4.29Å; K197-F226 HydrophobicContact CD-CG 3.99Å; K197-F226 HydrophobicContact CD-CZ 4Å; K197-F226 VanDerWaalsContact CE-CD2 3.5Å; K197-F226 HydrophobicContact CG-CD1 4.18Å; K197-F226 HydrophobicContact CG-CD2 4.44Å; K197-F226 HydrophobicContact CG-CE1 3.67Å; K197-F226 HydrophobicContact CG-CE2 3.96Å; K197-F226 HydrophobicContact CG-CZ 3.57Å; K197-F226 WeakPolarHBondContact O-CZ 3.41Å; K197-R489 PolarHBondContact O-NH2 2.9Å; K197-R489 VanDerWaalsContact O-NH2 3.08Å |
| 198 | D | 88 | Confident | 86.5 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 140 | 175.9 | -60.6 | -4.2 | 0 | 0 | 0 | 108.9 | Y189 V190 R299 R489 | Y189-D198 HydrophobicContact CD1-CB 4.43Å; V190-D198 CarbonylContact O-C 3.48Å; V190-D198 WeakPolarHBondContact O-CA 3.46Å; D198-R299 IonicContact OD1-NE 2.66Å; D198-R299 IonicContact OD1-NH2 3.12Å; D198-R299 IonicContact OD2-CZ 3.94Å; D198-R299 IonicContact OD2-NE 2.69Å; D198-R299 PolarHBondContact OD2-NE 3.2Å; D198-R299 IonicContact OD2-NH2 3.73Å; D198-R299 PolarHBondContact OD2-NH2 3.28Å; D198-R489 IonicContact OD1-CZ 2.73Å; D198-R489 IonicContact OD1-NH2 3.17Å; D198-R489 PolarHBondContact OD1-NH2 3.19Å |
| 199 | V | 89.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 144.9 | -173.7 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | Y189 V190 L195 M219 I221 F226 I228 | Y189-V199 CarbonylContact C-O 3.54Å; Y189-V199 WeakPolarHBondContact CA-O 3.35Å; V190-V199 HydrophobicContact CB-CB 4.28Å; V190-V199 PolarHBondContact N-O 3.25Å; V190-V199 PolarHBondContact O-N 2.85Å; L195-V199 HydrophobicContact CD1-CG2 3.28Å; V199-M219 HydrophobicContact CB-SD 4.45Å; V199-M219 HydrophobicContact CG2-CE 4.12Å; V199-M219 HydrophobicContact CG2-SD 4.31Å; V199-I221 HydrophobicContact CG1-CD1 4.29Å; V199-I221 HydrophobicContact CG2-CD1 3.59Å; V199-F226 HydrophobicContact CB-CE1 4.18Å; V199-F226 HydrophobicContact CG2-CD1 4.45Å; V199-F226 HydrophobicContact CG2-CE1 3.61Å; V199-F226 HydrophobicContact CG2-CZ 3.76Å; V199-I228 HydrophobicContact CG1-CD1 3.98Å; V199-I228 HydrophobicContact CG1-CG1 3.74Å |
| 200 | H | 91.1 | Very high | 85 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 25% | 0.25 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.8 | 168.6 | -61.7 | 171.7 | 0 | 0 | 0 | 109.6 | Y187 Q188 Y189 Y202 | Y187-H200 HydrophobicContact CD2-CB 3.84Å; Y187-H200 AromaticContact CD2-CD2 3.71Å; Y187-H200 AromaticContact CD2-CG 3.62Å; Y187-H200 HydrophobicContact CE2-CB 4.42Å; Y187-H200 AromaticContact CE2-CD2 3.48Å; Y187-H200 VanDerWaalsContact CE2-CD2 3.48Å; Y187-H200 WeakPolarHBondContact CE2-CD2 3.22Å; Y187-H200 AromaticContact CE2-CE1 3.8Å; Y187-H200 AromaticContact CE2-CG 3.69Å; Y187-H200 AromaticContact CE2-ND1 3.88Å; Y187-H200 AromaticContact CE2-NE2 3.56Å; Y187-H200 HydrophobicContact CG-CB 4.25Å; Y187-H200 AromaticContact CZ-CE1 3.97Å; Q188-H200 WeakPolarHBondContact O-CA 3.35Å; Y189-H200 AromaticContact CD1-CD2 3.63Å; Y189-H200 AromaticContact CD1-NE2 3.94Å; Y189-H200 AromaticContact CE1-CD2 3.47Å; Y189-H200 VanDerWaalsContact CE1-CD2 3.47Å; Y189-H200 WeakPolarHBondContact CE1-CD2 3.11Å; Y189-H200 AromaticContact CE1-NE2 3.27Å; Y189-H200 VanDerWaalsContact CE1-NE2 3.27Å; Y189-H200 WeakPolarHBondContact CE1-NE2 3.28Å; H200-Y202 HydrophobicContact CB-CD2 4.48Å; H200-Y202 HydrophobicContact CB-CE2 3.79Å |
| 201 | L | 89.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 112.8 | 172.5 | 172.3 | 68.3 | 0 | 0 | 0 | 108.9 | V179 Y187 Q188 V190 E205 M212 I217 I228 V232 | V179-L201 HydrophobicContact CG2-CD2 4.23Å; Y187-L201 CarbonylContact C-O 3.59Å; Y187-L201 VanDerWaalsContact CA-O 3.24Å; Y187-L201 WeakPolarHBondContact CA-O 3.29Å; Y187-L201 WeakPolarHBondContact CB-O 3.36Å; Q188-L201 HydrophobicContact CB-CB 4.32Å; Q188-L201 HydrophobicContact CB-CD2 4.45Å; Q188-L201 PolarHBondContact N-O 2.69Å; Q188-L201 PolarHBondContact O-N 2.87Å; V190-L201 HydrophobicContact CG2-CB 3.66Å; V190-L201 HydrophobicContact CG2-CD2 4.25Å; L201-E205 WeakPolarHBondContact CA-OE2 3.37Å; L201-E205 HydrophobicContact CD1-CB 3.8Å; L201-M212 HydrophobicContact CD2-CB 4.03Å; L201-M212 HydrophobicContact CD2-CG 4.26Å; L201-I217 HydrophobicContact CD2-CD1 3.97Å; L201-I228 HydrophobicContact CB-CD1 4.15Å; L201-I228 HydrophobicContact CD1-CD1 3.71Å; L201-V232 HydrophobicContact CD1-CB 4.48Å; L201-V232 HydrophobicContact CD1-CG1 3.69Å; L201-V232 HydrophobicContact CD1-CG2 3.93Å |
| 202 | Y | 86.3 | Confident | 84.4 | Confident | 93 Ų | 93 | 63.2 Ų | 63.2 | 37% | 0.365 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 155.8 | 178.8 | -65.6 | -86.9 | 0 | 0 | 0 | 111.7 | Y187 H200 N204 E205 | Y187-Y202 HydrophobicContact CD1-CE1 4.02Å; Y187-Y202 HydrophobicContact CG-CE1 4.21Å; H200-Y202 HydrophobicContact CB-CD2 4.48Å; H200-Y202 HydrophobicContact CB-CE2 3.79Å; Y202-N204 WeakPolarHBondContact CB-OD1 3Å; Y202-N204 PolarHBondContact O-N 3.43Å; Y202-N204 VanDerWaalsContact O-N 3.15Å; Y202-E205 PolarHBondContact N-OE2 3.14Å; Y202-E205 WeakPolarHBondContact O-CB 3.32Å; Y202-E205 PolarHBondContact O-N 3.32Å |
| 203 | E | 83.1 | Confident | 84.4 | Confident | 112 Ų | 112 | 64 Ų | 64 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -56.3 | -33.8 | -176.5 | -176.8 | 179.3 | -173.3 | 0 | 0 | 113.5 | F183 E205 C206 Y209 | F183-E203 HydrophobicContact CE1-CB 4.05Å; F183-E203 HydrophobicContact CZ-CB 4.32Å; E203-E205 PolarHBondContact O-N 3.5Å; E203-C206 PolarHBondContact O-N 3.15Å; E203-Y209 HydrophobicContact CG-CD1 3.83Å; E203-Y209 HydrophobicContact CG-CE1 4.37Å |
| 204 | N | 83.1 | Confident | 84.6 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -73.8 | -9.6 | 177.2 | 63.8 | -67.3 | 0 | 0 | 0 | 114.4 | Y202 | Y202-N204 WeakPolarHBondContact CB-OD1 3Å; Y202-N204 PolarHBondContact O-N 3.43Å; Y202-N204 VanDerWaalsContact O-N 3.15Å |
| 205 | E | 85.9 | Confident | 85 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -96.5 | -12.9 | 176.8 | -62.8 | 160 | 178.4 | 0 | 0 | 111.3 | L201 Y202 E203 I228 P231 V232 | L201-E205 WeakPolarHBondContact CA-OE2 3.37Å; L201-E205 HydrophobicContact CD1-CB 3.8Å; Y202-E205 PolarHBondContact N-OE2 3.14Å; Y202-E205 WeakPolarHBondContact O-CB 3.32Å; Y202-E205 PolarHBondContact O-N 3.32Å; E203-E205 PolarHBondContact O-N 3.5Å; E205-I228 HydrophobicContact CB-CG2 4.31Å; E205-I228 HydrophobicContact CG-CB 4.48Å; E205-I228 HydrophobicContact CG-CG2 4.28Å; E205-P231 CarbonylContact O-C 3.55Å; E205-P231 VanDerWaalsContact O-CA 3.23Å; E205-P231 WeakPolarHBondContact O-CA 3.32Å; E205-V232 PolarHBondContact O-N 3.4Å |
| 206 | C | 84 | Confident | 85.5 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -80.3 | 136.3 | 177.7 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | E203 S208 M212 | E203-C206 PolarHBondContact O-N 3.15Å; C206-S208 PolarHBondContact O-N 3.28Å; C206-M212 HydrophobicContact CB-CG 4.19Å |
| 207 | P | 79.7 | Confident | 86.2 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 27% | 0.266 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -54.9 | 123 | 171 | -28.5 | 36.9 | 0 | 0 | 0 | 112.3 | Y209 Q210 V232 | P207-Y209 PolarHBondContact O-N 3.02Å; P207-Q210 VanDerWaalsContact O-CB 3.25Å; P207-Q210 WeakPolarHBondContact O-CB 3.41Å; P207-Q210 PolarHBondContact O-N 3.44Å; P207-V232 WeakPolarHBondContact CD-O 3.29Å; P207-V232 WeakPolarHBondContact CG-O 3.27Å |
| 208 | S | 77.6 | Confident | 86.9 | Confident | 119 Ų | 119 | 50.9 Ų | 50.9 | 83% | 0.832 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | 52.5 | 30.5 | 171.4 | -53.3 | 0 | 0 | 0 | 0 | 115 | C206 Q210 | C206-S208 PolarHBondContact O-N 3.28Å; S208-Q210 PolarHBondContact O-N 3.06Å |
| 209 | Y | 68.4 | Low | 87.2 | Confident | 181 Ų | 181 | 50.1 Ų | 50.1 | 71% | 0.71 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | 58.4 | 26.2 | -175.2 | -54.4 | -92.3 | 0 | 0 | 0 | 113.9 | E203 P207 | E203-Y209 HydrophobicContact CG-CD1 3.83Å; E203-Y209 HydrophobicContact CG-CE1 4.37Å; P207-Y209 PolarHBondContact O-N 3.02Å |
| 210 | Q | 77.8 | Confident | 87.3 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | trans | -73.9 | 140.1 | 178.3 | -167.5 | 176.7 | 12.7 | 0 | 0 | 111.1 | P207 S208 M212 | P207-Q210 VanDerWaalsContact O-CB 3.25Å; P207-Q210 WeakPolarHBondContact O-CB 3.41Å; P207-Q210 PolarHBondContact O-N 3.44Å; S208-Q210 PolarHBondContact O-N 3.06Å; Q210-M212 HydrophobicContact CB-SD 4.41Å; Q210-M212 PolarHBondContact O-N 3.29Å | ||
| 211 | D | 83.1 | Confident | 87.2 | Confident | 88 Ų | 88 | 48.9 Ų | 48.9 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | trans | -65.8 | 124.2 | 169.2 | -176.3 | 10.6 | 0 | 0 | 0 | 110.5 | Q188 T213 K215 | Q188-D211 PolarHBondContact NE2-OD1 3.3Å; D211-T213 VanDerWaalsContact OD1-CB 3.23Å; D211-T213 WeakPolarHBondContact OD1-CB 3.45Å; D211-T213 PolarHBondContact OD1-N 2.58Å; D211-T213 PolarHBondContact OD1-OG1 2.89Å; D211-T213 PolarHBondContact OD2-OG1 3.3Å; D211-K215 WeakPolarHBondContact O-CE 3.48Å | ||
| 212 | M | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -99.4 | 2.3 | -179.5 | -54.4 | -58 | -72.4 | 0 | 0 | 113.1 | V179 L201 C206 Q210 G214 K215 I217 V232 E234 | V179-M212 WeakPolarHBondContact CB-O 3.23Å; V179-M212 HydrophobicContact CG2-CB 4.01Å; V179-M212 WeakPolarHBondContact CG2-O 3.34Å; L201-M212 HydrophobicContact CD2-CB 4.03Å; L201-M212 HydrophobicContact CD2-CG 4.26Å; C206-M212 HydrophobicContact CB-CG 4.19Å; Q210-M212 HydrophobicContact CB-SD 4.41Å; Q210-M212 PolarHBondContact O-N 3.29Å; M212-G214 PolarHBondContact O-N 2.8Å; M212-K215 HydrophobicContact CE-CD 4.06Å; M212-K215 WeakPolarHBondContact O-CB 3.24Å; M212-K215 PolarHBondContact O-N 3.24Å; M212-K215 VanDerWaalsContact O-N 3.09Å; M212-K215 HydrophobicContact SD-CD 4.15Å; M212-I217 HydrophobicContact CE-CG2 3.38Å; M212-V232 HydrophobicContact CE-CG2 4.33Å; M212-E234 HydrophobicContact CE-CB 4.08Å | ||
| 213 | T | 91.9 | Very high | 86.6 | Confident | 17 Ų | 17 | 48 Ų | 48 | 10% | 0.104 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 125 | -178.7 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | G182 Q188 D211 K215 I243 P248 | G182-T213 WeakPolarHBondContact CA-OG1 3.47Å; Q188-T213 PolarHBondContact NE2-OG1 3.29Å; D211-T213 VanDerWaalsContact OD1-CB 3.23Å; D211-T213 WeakPolarHBondContact OD1-CB 3.45Å; D211-T213 PolarHBondContact OD1-N 2.58Å; D211-T213 PolarHBondContact OD1-OG1 2.89Å; D211-T213 PolarHBondContact OD2-OG1 3.3Å; T213-K215 PolarHBondContact O-N 2.89Å; T213-I243 HydrophobicContact CG2-CD1 4Å; T213-P248 HydrophobicContact CG2-CG 3.62Å |
| 214 | G | 92.1 | Very high | 86.1 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 11.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | F178 V179 M212 T241 | F178-G214 WeakPolarHBondContact CE2-O 3.32Å; V179-G214 PolarHBondContact O-N 3.09Å; M212-G214 PolarHBondContact O-N 2.8Å; G214-T241 WeakPolarHBondContact O-CB 3.37Å; G214-T241 PolarHBondContact O-OG1 3.3Å |
| 215 | K | 94.4 | Very high | 85.6 | Confident | 35 Ų | 35 | 47 Ų | 47 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | trans | -95.1 | 160.5 | 173.1 | -58.4 | -175.3 | 176.7 | -173.9 | 0 | 112.2 | V179 D211 M212 T213 E234 | V179-K215 PolarHBondContact N-O 3.15Å; D211-K215 WeakPolarHBondContact O-CE 3.48Å; M212-K215 HydrophobicContact CE-CD 4.06Å; M212-K215 WeakPolarHBondContact O-CB 3.24Å; M212-K215 PolarHBondContact O-N 3.24Å; M212-K215 VanDerWaalsContact O-N 3.09Å; M212-K215 HydrophobicContact SD-CD 4.15Å; T213-K215 PolarHBondContact O-N 2.89Å; K215-E234 HydrophobicContact CD-CG 4.14Å; K215-E234 WeakPolarHBondContact CD-OE1 3.19Å; K215-E234 IonicContact NZ-OE1 3.89Å; K215-E234 IonicContact NZ-OE2 3.61Å; K215-E234 PolarHBondContact NZ-OE2 3.48Å | ||
| 216 | W | 96.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134.8 | 163.5 | -70.3 | 86.6 | 0 | 0 | 0 | 109.5 | V176 G177 F178 V235 I238 F239 I250 Y273 F274 | V176-W216 HydrophobicContact CG1-CE3 4.09Å; G177-W216 CarbonylContact O-C 3.58Å; G177-W216 WeakPolarHBondContact O-CA 3.47Å; F178-W216 HydrophobicContact CB-CD2 4.04Å; F178-W216 HydrophobicContact CB-CE3 3.92Å; F178-W216 HydrophobicContact CB-CH2 3.97Å; F178-W216 HydrophobicContact CB-CZ2 4.05Å; F178-W216 HydrophobicContact CB-CZ3 3.89Å; F178-W216 HydrophobicContact CD2-CD2 4.4Å; F178-W216 HydrophobicContact CD2-CZ2 4.49Å; F178-W216 AromaticContact CD2-NE1 3.99Å; W216-V235 HydrophobicContact CB-CG2 3.93Å; W216-V235 PolarHBondContact O-N 2.97Å; W216-I238 HydrophobicContact CD2-CB 4.18Å; W216-I238 HydrophobicContact CD2-CG1 4.15Å; W216-I238 HydrophobicContact CE3-CB 4.25Å; W216-I238 HydrophobicContact CE3-CD1 3.83Å; W216-I238 HydrophobicContact CE3-CG1 3.96Å; W216-I238 HydrophobicContact CH2-CB 4.16Å; W216-I238 HydrophobicContact CH2-CD1 4.46Å; W216-I238 HydrophobicContact CZ2-CB 4.1Å; W216-I238 HydrophobicContact CZ3-CB 4.24Å; W216-I238 HydrophobicContact CZ3-CD1 3.79Å; W216-I238 HydrophobicContact CZ3-CG1 4.22Å; W216-F239 HydrophobicContact CH2-CD2 4.08Å; W216-F239 HydrophobicContact CZ2-CB 4.19Å; W216-F239 AromaticContact CZ2-CD2 3.8Å; W216-F239 HydrophobicContact CZ2-CD2 3.8Å; W216-F239 HydrophobicContact CZ2-CG 4.49Å; W216-F239 PolarHBondContact NE1-O 3.15Å; W216-I250 HydrophobicContact CZ2-CD1 4.13Å; W216-Y273 AromaticContact CH2-CE1 3.96Å; W216-Y273 HydrophobicContact CH2-CE1 3.96Å; W216-Y273 HydrophobicContact CZ3-CE1 4.46Å; W216-Y273 WeakPolarHBondContact CZ3-OH 3.48Å; W216-F274 HydrophobicContact CH2-CZ 4.3Å; W216-F274 HydrophobicContact CZ2-CZ 4.48Å |
| 217 | I | 95.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 143.7 | -177.6 | 67.5 | 175 | 0 | 0 | 0 | 111.2 | V176 G177 V179 V190 L201 M212 M219 V232 R233 | V176-I217 CarbonylContact C-O 3.56Å; V176-I217 WeakPolarHBondContact CA-O 3.49Å; G177-I217 PolarHBondContact N-O 2.98Å; G177-I217 PolarHBondContact O-N 2.83Å; V179-I217 HydrophobicContact CG2-CD1 3.82Å; V179-I217 HydrophobicContact CG2-CG1 4.18Å; V179-I217 HydrophobicContact CG2-CG2 4.04Å; V190-I217 HydrophobicContact CG1-CD1 3.87Å; V190-I217 HydrophobicContact CG1-CG1 3.96Å; V190-I217 HydrophobicContact CG2-CD1 3.94Å; L201-I217 HydrophobicContact CD2-CD1 3.97Å; M212-I217 HydrophobicContact CE-CG2 3.38Å; I217-M219 HydrophobicContact CD1-SD 4.36Å; I217-V232 HydrophobicContact CB-CB 4.43Å; I217-V232 HydrophobicContact CD1-CB 4.09Å; I217-V232 HydrophobicContact CD1-CG1 4.08Å; I217-V232 HydrophobicContact CD1-CG2 4.08Å; I217-R233 CarbonylContact C-O 3.53Å; I217-R233 VanDerWaalsContact CA-O 3.23Å; I217-R233 WeakPolarHBondContact CA-O 3.46Å |
| 218 | E | 96 | Very high | 85.7 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.5 | 163.4 | -177.2 | -170 | 68.8 | 0 | 0 | 108.7 | T174 V175 V176 V232 R233 V235 | T174-E218 HydrophobicContact CG2-CG 3.54Å; V175-E218 WeakPolarHBondContact O-CA 3.42Å; V176-E218 HydrophobicContact CG2-CB 4.36Å; E218-V232 WeakPolarHBondContact O-CA 3.37Å; E218-R233 HydrophobicContact CB-CB 4.49Å; E218-R233 PolarHBondContact N-O 3.28Å; E218-R233 PolarHBondContact O-N 3.12Å; E218-R233 IonicContact OE1-CZ 3.53Å; E218-R233 IonicContact OE1-NE 2.65Å; E218-R233 PolarHBondContact OE1-NE 2.87Å; E218-R233 IonicContact OE1-NH2 3.81Å; E218-R233 PolarHBondContact OE1-NH2 3.21Å; E218-R233 IonicContact OE2-NH2 2.66Å; E218-R233 PolarHBondContact OE2-NH2 2.99Å; E218-V235 HydrophobicContact CB-CG1 3.71Å |
| 219 | M | 94.8 | Very high | 86 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 134.9 | -175.7 | 53.5 | -172 | 165.1 | 0 | 0 | 110.3 | T174 V175 V190 L195 V199 I217 I221 I228 V232 | T174-M219 WeakPolarHBondContact CA-O 3.39Å; V175-M219 HydrophobicContact CG2-CE 3.84Å; V175-M219 HydrophobicContact CG2-CG 3.71Å; V175-M219 HydrophobicContact CG2-SD 4.49Å; V175-M219 PolarHBondContact N-O 3.01Å; V175-M219 PolarHBondContact O-N 2.94Å; V190-M219 HydrophobicContact CB-CE 4.13Å; V190-M219 HydrophobicContact CB-SD 4.28Å; V190-M219 HydrophobicContact CG1-CE 3.57Å; V190-M219 HydrophobicContact CG1-SD 4Å; L195-M219 HydrophobicContact CD1-CE 4.3Å; V199-M219 HydrophobicContact CB-SD 4.45Å; V199-M219 HydrophobicContact CG2-CE 4.12Å; V199-M219 HydrophobicContact CG2-SD 4.31Å; I217-M219 HydrophobicContact CD1-SD 4.36Å; M219-I221 HydrophobicContact CE-CD1 4.09Å; M219-I221 HydrophobicContact CG-CD1 4.01Å; M219-I221 HydrophobicContact CG-CG1 4.02Å; M219-I221 HydrophobicContact SD-CD1 3.92Å; M219-I221 HydrophobicContact SD-CG1 4.37Å; M219-I228 HydrophobicContact CB-CD1 4.37Å; M219-I228 HydrophobicContact CB-CG1 4.37Å; M219-I228 HydrophobicContact SD-CD1 4.06Å; M219-I228 HydrophobicContact SD-CG1 4.37Å; M219-V232 HydrophobicContact CB-CG1 3.8Å |
| 220 | D | 91 | Very high | 86.6 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.4 | 168.6 | -73.8 | -31 | 0 | 0 | 0 | 108.8 | T174 I228 I229 R230 | T174-D220 WeakPolarHBondContact CB-OD1 3.43Å; T174-D220 PolarHBondContact OG1-OD1 3.38Å; D220-I228 WeakPolarHBondContact O-CA 3.08Å; D220-I229 HydrophobicContact CB-CD1 4.21Å; D220-I229 HydrophobicContact CB-CG1 3.8Å; D220-I229 VanDerWaalsContact O-CG1 3.29Å; D220-I229 WeakPolarHBondContact O-CG1 3.46Å; D220-I229 PolarHBondContact O-N 2.77Å; D220-R230 HydrophobicContact CB-CB 4.43Å; D220-R230 HydrophobicContact CB-CG 4.47Å; D220-R230 WeakPolarHBondContact OD2-CD 3.17Å; D220-R230 IonicContact OD2-CZ 2.7Å; D220-R230 IonicContact OD2-NE 3.12Å; D220-R230 IonicContact OD2-NH1 3.59Å; D220-R230 PolarHBondContact OD2-NH1 2.91Å |
| 221 | I | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.4 | -177.5 | -61.9 | -176.5 | 0 | 0 | 0 | 110.5 | C172 R173 V175 L195 V199 M219 M223 R227 | C172-I221 VanDerWaalsContact CA-O 3.31Å; C172-I221 WeakPolarHBondContact CA-O 3.42Å; R173-I221 PolarHBondContact N-O 2.88Å; R173-I221 PolarHBondContact O-N 3.06Å; V175-I221 HydrophobicContact CG2-CD1 3.4Å; V175-I221 VanDerWaalsContact CG2-CD1 3.4Å; V175-I221 HydrophobicContact CG2-CG1 3.93Å; L195-I221 HydrophobicContact CD1-CD1 3.48Å; L195-I221 VanDerWaalsContact CD1-CD1 3.48Å; L195-I221 HydrophobicContact CD2-CD1 4.18Å; L195-I221 HydrophobicContact CG-CD1 4.45Å; V199-I221 HydrophobicContact CG1-CD1 4.29Å; V199-I221 HydrophobicContact CG2-CD1 3.59Å; M219-I221 HydrophobicContact CE-CD1 4.09Å; M219-I221 HydrophobicContact CG-CD1 4.01Å; M219-I221 HydrophobicContact CG-CG1 4.02Å; M219-I221 HydrophobicContact SD-CD1 3.92Å; M219-I221 HydrophobicContact SD-CG1 4.37Å; I221-M223 HydrophobicContact CG2-SD 4.18Å; I221-M223 PolarHBondContact O-N 2.87Å; I221-R227 WeakPolarHBondContact CA-O 3.49Å |
| 222 | D | 85.2 | Confident | 87.6 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 110.3 | 158.3 | -177.7 | -38 | 0 | 0 | 0 | 108.1 | E224 E225 F226 R227 I229 | D222-E224 PolarHBondContact O-N 2.89Å; D222-E224 WeakPolarHBondContact OD1-CB 3.34Å; D222-E224 PolarHBondContact OD1-N 2.88Å; D222-E225 HydrophobicContact CB-CB 4.4Å; D222-E225 PolarHBondContact OD1-N 3.48Å; D222-F226 WeakPolarHBondContact O-CA 3.41Å; D222-F226 PolarHBondContact O-N 3.37Å; D222-R227 PolarHBondContact N-O 3.09Å; D222-R227 PolarHBondContact O-N 2.81Å; D222-I229 HydrophobicContact CB-CG2 3.74Å |
| 223 | M | 78.1 | Confident | 87.7 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 24% | 0.236 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.8 | -174.9 | -68 | -64.6 | -58.5 | 0 | 0 | 114 | E171 R173 L195 I221 | E171-M223 HydrophobicContact CB-CB 4.49Å; E171-M223 WeakPolarHBondContact O-CB 3.45Å; E171-M223 WeakPolarHBondContact O-CG 3.41Å; E171-M223 PolarHBondContact O-N 3.42Å; R173-M223 HydrophobicContact CB-CG 4.01Å; R173-M223 HydrophobicContact CB-SD 4Å; R173-M223 HydrophobicContact CG-CG 3.69Å; R173-M223 HydrophobicContact CG-SD 4.15Å; L195-M223 HydrophobicContact CD2-CE 4.05Å; L195-M223 HydrophobicContact CD2-SD 3.88Å; I221-M223 HydrophobicContact CG2-SD 4.18Å; I221-M223 PolarHBondContact O-N 2.87Å |
| 224 | E | 72.5 | Confident | 87.8 | Confident | 102 Ų | 102 | 55.3 Ų | 55.3 | 48% | 0.477 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -53 | 178.6 | -56.5 | -168.4 | 151.6 | 0 | 0 | 111.3 | R168 D222 F226 | R168-E224 WeakPolarHBondContact CD-OE1 3.15Å; R168-E224 WeakPolarHBondContact CD-OE2 3.35Å; R168-E224 IonicContact CZ-OE1 2.73Å; R168-E224 IonicContact CZ-OE2 3.15Å; R168-E224 IonicContact NE-OE1 2.68Å; R168-E224 IonicContact NE-OE2 2.82Å; R168-E224 IonicContact NH1-OE1 2.84Å; R168-E224 PolarHBondContact NH1-OE1 2.66Å; R168-E224 IonicContact NH1-OE2 2.72Å; R168-E224 PolarHBondContact NH1-OE2 3.17Å; D222-E224 PolarHBondContact O-N 2.89Å; D222-E224 WeakPolarHBondContact OD1-CB 3.34Å; D222-E224 PolarHBondContact OD1-N 2.88Å; E224-F226 VanDerWaalsContact C-N 3.26Å; E224-F226 PolarHBondContact O-N 3.26Å |
| 225 | E | 72.9 | Confident | 87.9 | Confident | 111 Ų | 111 | 56.8 Ų | 56.8 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.9 | 176.2 | -77.2 | -71.1 | 150.1 | 0 | 0 | 112.2 | D222 R227 | D222-E225 HydrophobicContact CB-CB 4.4Å; D222-E225 PolarHBondContact OD1-N 3.48Å; E225-R227 HydrophobicContact CB-CB 4.48Å; E225-R227 HydrophobicContact CB-CG 4.08Å; E225-R227 IonicContact OE2-CZ 2.68Å; E225-R227 IonicContact OE2-NE 3.85Å; E225-R227 PolarHBondContact OE2-NE 3.08Å; E225-R227 VanDerWaalsContact OE2-NE 3.12Å; E225-R227 IonicContact OE2-NH2 2.91Å; E225-R227 PolarHBondContact OE2-NH2 2.9Å |
| 226 | F | 77.7 | Confident | 87.8 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 46.6 | -174 | -156.1 | -99.8 | 0 | 0 | 0 | 112.8 | L195 K197 V199 D222 E224 | L195-F226 HydrophobicContact CB-CE2 4.06Å; L195-F226 HydrophobicContact CB-CZ 3.92Å; L195-F226 HydrophobicContact CD1-CE2 4.17Å; L195-F226 HydrophobicContact CD1-CZ 3.79Å; L195-F226 HydrophobicContact CD2-CE2 4.02Å; L195-F226 HydrophobicContact CD2-CZ 4.47Å; L195-F226 HydrophobicContact CG-CE2 4.31Å; L195-F226 HydrophobicContact CG-CZ 4.28Å; K197-F226 HydrophobicContact CB-CE1 4.22Å; K197-F226 HydrophobicContact CB-CZ 4.24Å; K197-F226 HydrophobicContact CD-CD1 3.64Å; K197-F226 HydrophobicContact CD-CD2 4.3Å; K197-F226 HydrophobicContact CD-CE1 3.64Å; K197-F226 HydrophobicContact CD-CE2 4.29Å; K197-F226 HydrophobicContact CD-CG 3.99Å; K197-F226 HydrophobicContact CD-CZ 4Å; K197-F226 VanDerWaalsContact CE-CD2 3.5Å; K197-F226 HydrophobicContact CG-CD1 4.18Å; K197-F226 HydrophobicContact CG-CD2 4.44Å; K197-F226 HydrophobicContact CG-CE1 3.67Å; K197-F226 HydrophobicContact CG-CE2 3.96Å; K197-F226 HydrophobicContact CG-CZ 3.57Å; K197-F226 WeakPolarHBondContact O-CZ 3.41Å; V199-F226 HydrophobicContact CB-CE1 4.18Å; V199-F226 HydrophobicContact CG2-CD1 4.45Å; V199-F226 HydrophobicContact CG2-CE1 3.61Å; V199-F226 HydrophobicContact CG2-CZ 3.76Å; D222-F226 WeakPolarHBondContact O-CA 3.41Å; D222-F226 PolarHBondContact O-N 3.37Å; E224-F226 VanDerWaalsContact C-N 3.26Å; E224-F226 PolarHBondContact O-N 3.26Å |
| 227 | R | 84.7 | Confident | 87.5 | Confident | 151 Ų | 151 | 67.4 Ų | 67.4 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.4 | -177.9 | -62.2 | -176.5 | -156.1 | -152 | 7.9 | 111.5 | I221 D222 E225 | I221-R227 WeakPolarHBondContact CA-O 3.49Å; D222-R227 PolarHBondContact N-O 3.09Å; D222-R227 PolarHBondContact O-N 2.81Å; E225-R227 HydrophobicContact CB-CB 4.48Å; E225-R227 HydrophobicContact CB-CG 4.08Å; E225-R227 IonicContact OE2-CZ 2.68Å; E225-R227 IonicContact OE2-NE 3.85Å; E225-R227 PolarHBondContact OE2-NE 3.08Å; E225-R227 VanDerWaalsContact OE2-NE 3.12Å; E225-R227 IonicContact OE2-NH2 2.91Å; E225-R227 PolarHBondContact OE2-NH2 2.9Å |
| 228 | I | 88.7 | Confident | 87.4 | Confident | 11 Ų | 11 | 71.4 Ų | 71.4 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 126.7 | 171 | -61.3 | 177.3 | 0 | 0 | 0 | 108 | V199 L201 E205 M219 D220 R230 V232 | V199-I228 HydrophobicContact CG1-CD1 3.98Å; V199-I228 HydrophobicContact CG1-CG1 3.74Å; L201-I228 HydrophobicContact CB-CD1 4.15Å; L201-I228 HydrophobicContact CD1-CD1 3.71Å; E205-I228 HydrophobicContact CB-CG2 4.31Å; E205-I228 HydrophobicContact CG-CB 4.48Å; E205-I228 HydrophobicContact CG-CG2 4.28Å; M219-I228 HydrophobicContact CB-CD1 4.37Å; M219-I228 HydrophobicContact CB-CG1 4.37Å; M219-I228 HydrophobicContact SD-CD1 4.06Å; M219-I228 HydrophobicContact SD-CG1 4.37Å; D220-I228 WeakPolarHBondContact O-CA 3.08Å; I228-R230 WeakPolarHBondContact CG2-O 3.39Å; I228-V232 HydrophobicContact CD1-CG1 3.88Å; I228-V232 HydrophobicContact CG2-CG1 3.77Å |
| 229 | I | 83.8 | Confident | 87.3 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | trans | -107.1 | -7.1 | -174.7 | 54.9 | 157.2 | 0 | 0 | 0 | 114.2 | C172 D220 D222 | C172-I229 HydrophobicContact CB-CD1 4.34Å; C172-I229 WeakPolarHBondContact SG-CD1 3.47Å; D220-I229 HydrophobicContact CB-CD1 4.21Å; D220-I229 HydrophobicContact CB-CG1 3.8Å; D220-I229 VanDerWaalsContact O-CG1 3.29Å; D220-I229 WeakPolarHBondContact O-CG1 3.46Å; D220-I229 PolarHBondContact O-N 2.77Å; D222-I229 HydrophobicContact CB-CG2 3.74Å | ||
| 230 | R | 82.2 | Confident | 87.4 | Confident | 146 Ų | 146 | 74.4 Ų | 74.4 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -142 | 153.5 | 176.4 | -63.5 | -164.7 | -176.1 | 113.3 | 1.5 | 110 | D220 I228 V232 | D220-R230 HydrophobicContact CB-CB 4.43Å; D220-R230 HydrophobicContact CB-CG 4.47Å; D220-R230 WeakPolarHBondContact OD2-CD 3.17Å; D220-R230 IonicContact OD2-CZ 2.7Å; D220-R230 IonicContact OD2-NE 3.12Å; D220-R230 IonicContact OD2-NH1 3.59Å; D220-R230 PolarHBondContact OD2-NH1 2.91Å; I228-R230 WeakPolarHBondContact CG2-O 3.39Å; R230-V232 PolarHBondContact O-N 2.7Å |
| 231 | P | 88.5 | Confident | 87.6 | Confident | 99 Ų | 99 | 75.3 Ų | 75.3 | 64% | 0.643 | 37% | 0.365 | S | S | * | . | trans | -52.2 | 132.4 | 173.1 | -25.8 | 34.8 | 0 | 0 | 0 | 111.4 | E205 | E205-P231 CarbonylContact O-C 3.55Å; E205-P231 VanDerWaalsContact O-CA 3.23Å; E205-P231 WeakPolarHBondContact O-CA 3.32Å | ||
| 232 | V | 92.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 78 Ų | 78 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | trans | -71.9 | 161.3 | -175.6 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | L201 E205 P207 M212 I217 E218 M219 I228 R230 | L201-V232 HydrophobicContact CD1-CB 4.48Å; L201-V232 HydrophobicContact CD1-CG1 3.69Å; L201-V232 HydrophobicContact CD1-CG2 3.93Å; E205-V232 PolarHBondContact O-N 3.4Å; P207-V232 WeakPolarHBondContact CD-O 3.29Å; P207-V232 WeakPolarHBondContact CG-O 3.27Å; M212-V232 HydrophobicContact CE-CG2 4.33Å; I217-V232 HydrophobicContact CB-CB 4.43Å; I217-V232 HydrophobicContact CD1-CB 4.09Å; I217-V232 HydrophobicContact CD1-CG1 4.08Å; I217-V232 HydrophobicContact CD1-CG2 4.08Å; E218-V232 WeakPolarHBondContact O-CA 3.37Å; M219-V232 HydrophobicContact CB-CG1 3.8Å; I228-V232 HydrophobicContact CD1-CG1 3.88Å; I228-V232 HydrophobicContact CG2-CG1 3.77Å; R230-V232 PolarHBondContact O-N 2.7Å | ||
| 233 | R | 92.3 | Very high | 88 | Confident | 147 Ų | 147 | 81.3 Ų | 81.3 | 56% | 0.555 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.8 | 178.4 | 179.2 | 166.8 | 68 | 143.3 | 3.2 | 110.5 | I217 E218 V235 | I217-R233 CarbonylContact C-O 3.53Å; I217-R233 VanDerWaalsContact CA-O 3.23Å; I217-R233 WeakPolarHBondContact CA-O 3.46Å; E218-R233 HydrophobicContact CB-CB 4.49Å; E218-R233 PolarHBondContact N-O 3.28Å; E218-R233 PolarHBondContact O-N 3.12Å; E218-R233 IonicContact OE1-CZ 3.53Å; E218-R233 IonicContact OE1-NE 2.65Å; E218-R233 PolarHBondContact OE1-NE 2.87Å; E218-R233 IonicContact OE1-NH2 3.81Å; E218-R233 PolarHBondContact OE1-NH2 3.21Å; E218-R233 IonicContact OE2-NH2 2.66Å; E218-R233 PolarHBondContact OE2-NH2 2.99Å; R233-V235 PolarHBondContact O-N 2.86Å |
| 234 | E | 93.8 | Very high | 88.5 | Confident | 99 Ų | 99 | 81.8 Ų | 81.8 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.5 | 167.7 | -175.3 | 168.5 | -176.1 | 0 | 0 | 110 | M212 K215 | M212-E234 HydrophobicContact CE-CB 4.08Å; K215-E234 HydrophobicContact CD-CG 4.14Å; K215-E234 WeakPolarHBondContact CD-OE1 3.19Å; K215-E234 IonicContact NZ-OE1 3.89Å; K215-E234 IonicContact NZ-OE2 3.61Å; K215-E234 PolarHBondContact NZ-OE2 3.48Å |
| 235 | V | 94.4 | Very high | 89 | Confident | 36 Ų | 36 | 82.9 Ų | 82.9 | 22% | 0.218 | 40% | 0.403 | C | S | . | . | trans | -126.2 | 163.7 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | V176 W216 E218 R233 | V176-V235 HydrophobicContact CG1-CG2 3.89Å; W216-V235 HydrophobicContact CB-CG2 3.93Å; W216-V235 PolarHBondContact O-N 2.97Å; E218-V235 HydrophobicContact CB-CG1 3.71Å; R233-V235 PolarHBondContact O-N 2.86Å | ||
| 236 | E | 92.5 | Very high | 89.5 | Confident | 177 Ų | 177 | 86 Ų | 86 | 83% | 0.827 | 42% | 0.417 | S | S | * | . | trans | -57.6 | 138 | 176.3 | -67.1 | -172.8 | 165.6 | 0 | 0 | 111.1 | I238 | E236-I238 PolarHBondContact O-N 2.72Š| ||
| 237 | P | 91.2 | Very high | 90 | Very high | 82 Ų | 82 | 86.5 Ų | 86.5 | 53% | 0.532 | 42% | 0.422 | S | S | . | . | trans | -61.6 | 123.1 | -177.5 | -25.6 | 34.9 | 0 | 0 | 0 | 113.4 | F239 | P237-F239 VanDerWaalsContact C-N 3.25Å; P237-F239 VanDerWaalsContact CB-O 3.29Å; P237-F239 WeakPolarHBondContact CB-O 3.3Å; P237-F239 PolarHBondContact O-N 2.82Å | ||
| 238 | I | 93.5 | Very high | 90.3 | Very high | 84 Ų | 84 | 79.5 Ų | 79.5 | 43% | 0.431 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -64.1 | -36.5 | 174.1 | -57.8 | -175.7 | 0 | 0 | 0 | 110.7 | V176 W216 E236 Y273 | V176-I238 HydrophobicContact CB-CD1 4.32Å; V176-I238 HydrophobicContact CG1-CD1 3.69Å; V176-I238 HydrophobicContact CG1-CG1 4.42Å; W216-I238 HydrophobicContact CD2-CB 4.18Å; W216-I238 HydrophobicContact CD2-CG1 4.15Å; W216-I238 HydrophobicContact CE3-CB 4.25Å; W216-I238 HydrophobicContact CE3-CD1 3.83Å; W216-I238 HydrophobicContact CE3-CG1 3.96Å; W216-I238 HydrophobicContact CH2-CB 4.16Å; W216-I238 HydrophobicContact CH2-CD1 4.46Å; W216-I238 HydrophobicContact CZ2-CB 4.1Å; W216-I238 HydrophobicContact CZ3-CB 4.24Å; W216-I238 HydrophobicContact CZ3-CD1 3.79Å; W216-I238 HydrophobicContact CZ3-CG1 4.22Å; E236-I238 PolarHBondContact O-N 2.72Å; I238-Y273 HydrophobicContact CG2-CE2 4.33Å |
| 239 | F | 94.3 | Very high | 90.6 | Very high | 44 Ų | 44 | 79.2 Ų | 79.2 | 19% | 0.193 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -130.7 | 151.8 | 173.7 | -67.9 | -91.8 | 0 | 0 | 0 | 108.7 | W216 P237 T241 I250 V252 Y273 F274 | W216-F239 HydrophobicContact CH2-CD2 4.08Å; W216-F239 HydrophobicContact CZ2-CB 4.19Å; W216-F239 AromaticContact CZ2-CD2 3.8Å; W216-F239 HydrophobicContact CZ2-CD2 3.8Å; W216-F239 HydrophobicContact CZ2-CG 4.49Å; W216-F239 PolarHBondContact NE1-O 3.15Å; P237-F239 VanDerWaalsContact C-N 3.25Å; P237-F239 VanDerWaalsContact CB-O 3.29Å; P237-F239 WeakPolarHBondContact CB-O 3.3Å; P237-F239 PolarHBondContact O-N 2.82Å; F239-T241 WeakPolarHBondContact O-CG2 3.21Å; F239-T241 PolarHBondContact O-N 2.86Å; F239-I250 HydrophobicContact CB-CG2 3.33Å; F239-I250 HydrophobicContact CG-CG2 4.01Å; F239-V252 HydrophobicContact CD1-CG1 4.16Å; F239-V252 HydrophobicContact CE1-CG1 4.39Å; F239-Y273 AromaticContact CE2-CD1 3.84Å; F239-Y273 HydrophobicContact CE2-CD1 3.84Å; F239-Y273 AromaticContact CE2-CD2 3.74Å; F239-Y273 HydrophobicContact CE2-CD2 3.74Å; F239-Y273 HydrophobicContact CE2-CE1 4.05Å; F239-Y273 AromaticContact CE2-CE2 3.95Å; F239-Y273 HydrophobicContact CE2-CE2 3.95Å; F239-Y273 AromaticContact CE2-CG 3.69Å; F239-Y273 HydrophobicContact CE2-CG 3.69Å; F239-Y273 HydrophobicContact CZ-CD1 4.41Å; F239-Y273 HydrophobicContact CZ-CD2 4.08Å; F239-Y273 AromaticContact CZ-CG 3.94Å; F239-Y273 HydrophobicContact CZ-CG 3.94Å; F239-F274 HydrophobicContact CD1-CE2 4.32Å; F239-F274 AromaticContact CD2-CE2 3.83Å; F239-F274 HydrophobicContact CD2-CE2 3.83Å; F239-F274 AromaticContact CD2-CZ 3.75Å; F239-F274 HydrophobicContact CD2-CZ 3.75Å; F239-F274 HydrophobicContact CE1-CE2 4.1Å; F239-F274 AromaticContact CE2-CE2 3.57Å; F239-F274 HydrophobicContact CE2-CE2 3.57Å; F239-F274 AromaticContact CE2-CZ 3.81Å; F239-F274 HydrophobicContact CE2-CZ 3.81Å; F239-F274 HydrophobicContact CG-CE2 4.2Å; F239-F274 HydrophobicContact CG-CZ 4.32Å; F239-F274 AromaticContact CZ-CE2 3.72Å; F239-F274 HydrophobicContact CZ-CE2 3.72Å; F239-F274 HydrophobicContact CZ-CZ 4.42Å |
| 240 | P | 95.1 | Very high | 91.1 | Very high | 76 Ų | 76 | 75.7 Ų | 75.7 | 49% | 0.494 | 38% | 0.377 | S | S | . | . | trans | -57.8 | 132.9 | 174.6 | -19.1 | 30.6 | 0 | 0 | 0 | 110.7 | F251 W296 | P240-F251 HydrophobicContact CB-CB 4.01Å; P240-F251 HydrophobicContact CG-CB 4.24Å; P240-F251 PolarHBondContact O-N 2.99Å; P240-W296 HydrophobicContact CB-CH2 4.38Å | ||
| 241 | T | 95.3 | Very high | 91.7 | Very high | 45 Ų | 45 | 72 Ų | 72 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 156.1 | 179 | 69.4 | 0 | 0 | 0 | 0 | 111 | F178 G214 F239 E249 | F178-T241 HydrophobicContact CD2-CG2 3.91Å; F178-T241 HydrophobicContact CE2-CG2 3.48Å; F178-T241 VanDerWaalsContact CE2-CG2 3.48Å; F178-T241 HydrophobicContact CZ-CG2 4.46Å; G214-T241 WeakPolarHBondContact O-CB 3.37Å; G214-T241 PolarHBondContact O-OG1 3.3Å; F239-T241 WeakPolarHBondContact O-CG2 3.21Å; F239-T241 PolarHBondContact O-N 2.86Å; T241-E249 VanDerWaalsContact CA-O 3.3Å; T241-E249 WeakPolarHBondContact CA-O 3.25Å |
| 242 | R | 93.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 67.4 Ų | 67.4 | 22% | 0.219 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 165.2 | 166.5 | 72.4 | -175.8 | -177.3 | 173.8 | 4.8 | 110 | E249 W296 K314 | R242-E249 HydrophobicContact CG-CB 4.06Å; R242-E249 HydrophobicContact CG-CG 4.35Å; R242-E249 IonicContact CZ-OE2 2.83Å; R242-E249 PolarHBondContact N-O 2.99Å; R242-E249 IonicContact NE-OE2 2.67Å; R242-E249 PolarHBondContact NE-OE2 3.03Å; R242-E249 IonicContact NH2-OE2 2.68Å; R242-E249 PolarHBondContact NH2-OE2 2.77Å; R242-E249 PolarHBondContact O-N 2.69Å; R242-W296 HydrophobicContact CB-CE3 4.48Å; R242-W296 HydrophobicContact CB-CH2 3.99Å; R242-W296 HydrophobicContact CB-CZ3 3.89Å; R242-W296 HydrophobicContact CG-CD2 4.1Å; R242-W296 HydrophobicContact CG-CE3 3.63Å; R242-W296 HydrophobicContact CG-CH2 3.91Å; R242-W296 HydrophobicContact CG-CZ2 4.36Å; R242-W296 HydrophobicContact CG-CZ3 3.53Å; R242-W296 VanDerWaalsContact CZ-CG 3.41Å; R242-W296 VanDerWaalsContact NE-CD2 3.26Å; R242-K314 PolarHBondContact NH2-O 3.45Å |
| 243 | I | 90.6 | Very high | 91.9 | Very high | 94 Ų | 94 | 72.4 Ų | 72.4 | 48% | 0.482 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.7 | 165.7 | -58 | 174.4 | 0 | 0 | 0 | 106.9 | T213 V247 | T213-I243 HydrophobicContact CG2-CD1 4Å; I243-V247 WeakPolarHBondContact CA-O 3.04Å |
| 244 | M | 88.8 | Confident | 91.9 | Very high | 59 Ų | 59 | 65.6 Ų | 65.6 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.6 | 179.7 | -177.7 | 58 | 67.8 | 0 | 0 | 108.6 | E246 V247 E249 K314 | M244-E246 VanDerWaalsContact C-N 3.26Å; M244-E246 PolarHBondContact O-N 3.21Å; M244-V247 PolarHBondContact N-O 3.39Å; M244-V247 WeakPolarHBondContact O-CB 3.47Å; M244-V247 PolarHBondContact O-N 2.91Å; M244-E249 HydrophobicContact CB-CG 4.03Å; M244-K314 HydrophobicContact CG-CB 3.9Å; M244-K314 HydrophobicContact SD-CB 4.46Å |
| 245 | L | 83.1 | Confident | 91.8 | Very high | 124 Ų | 124 | 66.4 Ų | 66.4 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 45 | -174.7 | -56.3 | 179.6 | 0 | 0 | 0 | 113.1 | V247 K314 | L245-V247 PolarHBondContact O-N 3.08Å; L245-V247 VanDerWaalsContact O-N 3.1Å; L245-K314 HydrophobicContact CD1-CD 4.5Å; L245-K314 HydrophobicContact CD1-CG 3.81Å |
| 246 | E | 82.9 | Confident | 91.7 | Very high | 176 Ų | 176 | 66 Ų | 66 | 82% | 0.822 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 4.8 | -175.8 | -52.8 | 179.2 | 169.5 | 0 | 0 | 115.3 | M244 | M244-E246 VanDerWaalsContact C-N 3.26Å; M244-E246 PolarHBondContact O-N 3.21Å |
| 247 | V | 87.3 | Confident | 91.5 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.6 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | I243 M244 L245 E249 V298 | I243-V247 WeakPolarHBondContact CA-O 3.04Å; M244-V247 PolarHBondContact N-O 3.39Å; M244-V247 WeakPolarHBondContact O-CB 3.47Å; M244-V247 PolarHBondContact O-N 2.91Å; L245-V247 PolarHBondContact O-N 3.08Å; L245-V247 VanDerWaalsContact O-N 3.1Å; V247-E249 WeakPolarHBondContact O-CG 3.25Å; V247-V298 HydrophobicContact CG1-CB 4.03Å; V247-V298 HydrophobicContact CG1-CG1 3.85Å |
| 248 | P | 92.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 127.8 | 167.5 | -25.2 | 37.8 | 0 | 0 | 0 | 112 | F178 T213 | F178-P248 HydrophobicContact CE1-CB 3.8Å; F178-P248 HydrophobicContact CE2-CB 4.49Å; F178-P248 HydrophobicContact CZ-CB 3.48Å; F178-P248 VanDerWaalsContact CZ-CB 3.48Å; T213-P248 HydrophobicContact CG2-CG 3.62Å |
| 249 | E | 93.9 | Very high | 91 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.6 | 179.5 | -36.8 | -162.3 | 135.1 | 0 | 0 | 111.6 | T241 R242 M244 V247 W296 I297 V298 S312 | T241-E249 VanDerWaalsContact CA-O 3.3Å; T241-E249 WeakPolarHBondContact CA-O 3.25Å; R242-E249 HydrophobicContact CG-CB 4.06Å; R242-E249 HydrophobicContact CG-CG 4.35Å; R242-E249 IonicContact CZ-OE2 2.83Å; R242-E249 PolarHBondContact N-O 2.99Å; R242-E249 IonicContact NE-OE2 2.67Å; R242-E249 PolarHBondContact NE-OE2 3.03Å; R242-E249 IonicContact NH2-OE2 2.68Å; R242-E249 PolarHBondContact NH2-OE2 2.77Å; R242-E249 PolarHBondContact O-N 2.69Å; M244-E249 HydrophobicContact CB-CG 4.03Å; V247-E249 WeakPolarHBondContact O-CG 3.25Å; E249-W296 HydrophobicContact CB-CB 4.42Å; E249-W296 HydrophobicContact CB-CE3 4.04Å; E249-I297 VanDerWaalsContact CA-O 3.28Å; E249-I297 WeakPolarHBondContact CA-O 3.41Å; E249-V298 HydrophobicContact CB-CG1 4.26Å; E249-V298 HydrophobicContact CG-CG1 3.75Å; E249-V298 VanDerWaalsContact OE1-CG1 3.28Å; E249-V298 WeakPolarHBondContact OE1-CG1 3.29Å; E249-S312 VanDerWaalsContact CD-OG 3.3Å; E249-S312 VanDerWaalsContact OE1-CB 3.23Å; E249-S312 WeakPolarHBondContact OE1-CB 3.39Å; E249-S312 PolarHBondContact OE1-OG 2.93Å; E249-S312 PolarHBondContact OE2-OG 3.24Å |
| 250 | I | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.9 | 178.7 | -50.9 | 177.7 | 0 | 0 | 0 | 109.1 | F178 W216 F239 V252 F274 W296 I297 W309 | F178-I250 HydrophobicContact CB-CD1 4.33Å; F178-I250 HydrophobicContact CD1-CD1 3.6Å; F178-I250 HydrophobicContact CD1-CG1 3.98Å; F178-I250 HydrophobicContact CD2-CD1 4.26Å; F178-I250 HydrophobicContact CD2-CG1 4.26Å; F178-I250 HydrophobicContact CE1-CD1 3.8Å; F178-I250 HydrophobicContact CE1-CG1 3.65Å; F178-I250 HydrophobicContact CE2-CD1 4.45Å; F178-I250 HydrophobicContact CE2-CG1 3.98Å; F178-I250 HydrophobicContact CG-CD1 3.81Å; F178-I250 HydrophobicContact CG-CG1 4.23Å; F178-I250 HydrophobicContact CZ-CD1 4.21Å; F178-I250 HydrophobicContact CZ-CG1 3.64Å; W216-I250 HydrophobicContact CZ2-CD1 4.13Å; F239-I250 HydrophobicContact CB-CG2 3.33Å; F239-I250 HydrophobicContact CG-CG2 4.01Å; I250-V252 HydrophobicContact CG2-CG1 4Å; I250-F274 HydrophobicContact CD1-CE1 3.5Å; I250-F274 HydrophobicContact CD1-CZ 3.67Å; I250-F274 HydrophobicContact CG2-CE2 4.49Å; I250-F274 HydrophobicContact CG2-CZ 4.03Å; I250-W296 CarbonylContact O-C 3.58Å; I250-W296 WeakPolarHBondContact O-CA 3.14Å; I250-I297 HydrophobicContact CB-CG1 4.2Å; I250-I297 PolarHBondContact N-O 3.48Å; I250-I297 PolarHBondContact O-N 2.72Å; I250-W309 HydrophobicContact CD1-CH2 3.58Å; I250-W309 HydrophobicContact CD1-CZ2 4.44Å; I250-W309 HydrophobicContact CD1-CZ3 3.87Å; I250-W309 HydrophobicContact CG1-CH2 4.48Å; I250-W309 HydrophobicContact CG1-CZ3 4.35Å |
| 251 | F | 94.1 | Very high | 89.8 | Confident | 67 Ų | 67 | 55.1 Ų | 55.1 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.7 | 171.5 | -166.7 | -101.9 | 0 | 0 | 0 | 110.9 | P240 G295 W296 | P240-F251 HydrophobicContact CB-CB 4.01Å; P240-F251 HydrophobicContact CG-CB 4.24Å; P240-F251 PolarHBondContact O-N 2.99Å; F251-G295 WeakPolarHBondContact CA-O 3.3Å; F251-W296 HydrophobicContact CB-CD2 4.05Å; F251-W296 HydrophobicContact CB-CE3 3.83Å; F251-W296 HydrophobicContact CB-CH2 3.83Å; F251-W296 HydrophobicContact CB-CZ2 4.04Å; F251-W296 HydrophobicContact CB-CZ3 3.71Å; F251-W296 AromaticContact CD2-CD1 3.89Å; F251-W296 AromaticContact CD2-CD2 3.87Å; F251-W296 HydrophobicContact CD2-CD2 3.87Å; F251-W296 AromaticContact CD2-CE2 3.59Å; F251-W296 HydrophobicContact CD2-CE3 4.5Å; F251-W296 HydrophobicContact CD2-CG 4.07Å; F251-W296 HydrophobicContact CD2-CZ2 4.04Å; F251-W296 AromaticContact CD2-NE1 3.6Å; F251-W296 HydrophobicContact CG-CD2 4.47Å; F251-W296 HydrophobicContact CG-CZ2 4.34Å |
| 252 | V | 94.1 | Very high | 89 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 160 | -173.9 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | F239 I250 F254 F274 I277 S294 G295 I297 | F239-V252 HydrophobicContact CD1-CG1 4.16Å; F239-V252 HydrophobicContact CE1-CG1 4.39Å; I250-V252 HydrophobicContact CG2-CG1 4Å; V252-F254 HydrophobicContact CG2-CD1 3.77Å; V252-F254 HydrophobicContact CG2-CE1 4.08Å; V252-F274 HydrophobicContact CG1-CD2 3.66Å; V252-F274 HydrophobicContact CG1-CE2 3.39Å; V252-F274 HydrophobicContact CG1-CZ 4.26Å; V252-I277 HydrophobicContact CG2-CD1 4.4Å; V252-S294 CarbonylContact O-C 3.56Å; V252-S294 WeakPolarHBondContact O-CA 3.43Å; V252-G295 PolarHBondContact N-O 3.14Å; V252-G295 PolarHBondContact O-N 3.39Å; V252-I297 HydrophobicContact CB-CD1 4.48Å; V252-I297 HydrophobicContact CG1-CD1 3.92Å; V252-I297 HydrophobicContact CG1-CG1 4.25Å; V252-I297 HydrophobicContact CG2-CB 4.22Å; V252-I297 HydrophobicContact CG2-CD1 3.75Å; V252-I297 HydrophobicContact CG2-CG1 3.75Å; V252-I297 HydrophobicContact CG2-CG2 3.53Å |
| 253 | E | 92.3 | Very high | 88.2 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.7 | 166.2 | -58.3 | -169.9 | 169.6 | 0 | 0 | 110.5 | Q292 Y293 | E253-Q292 PolarHBondContact OE2-NE2 2.79Å; E253-Y293 CarbonylContact C-O 3.51Å; E253-Y293 VanDerWaalsContact CA-O 3.27Å; E253-Y293 WeakPolarHBondContact CA-O 3.34Å |
| 254 | F | 92.8 | Very high | 88 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 154.3 | -177.5 | 50.8 | -89.8 | 0 | 0 | 0 | 112.4 | V252 F268 R269 I277 Y293 I297 I311 L318 | V252-F254 HydrophobicContact CG2-CD1 3.77Å; V252-F254 HydrophobicContact CG2-CE1 4.08Å; F254-F268 HydrophobicContact CB-CB 4.31Å; F254-F268 HydrophobicContact CD2-CB 3.7Å; F254-F268 AromaticContact CD2-CD1 3.67Å; F254-F268 HydrophobicContact CD2-CD1 3.67Å; F254-F268 AromaticContact CD2-CG 3.76Å; F254-F268 HydrophobicContact CD2-CG 3.76Å; F254-F268 HydrophobicContact CE2-CB 4.46Å; F254-F268 HydrophobicContact CE2-CD1 4.06Å; F254-F268 HydrophobicContact CE2-CG 4.14Å; F254-F268 HydrophobicContact CG-CB 4.33Å; F254-R269 CarbonylContact C-O 3.54Å; F254-R269 WeakPolarHBondContact CA-O 3.03Å; F254-R269 VanDerWaalsContact CB-O 3.28Å; F254-R269 WeakPolarHBondContact CB-O 3.23Å; F254-I277 HydrophobicContact CB-CD1 3.99Å; F254-I277 HydrophobicContact CD1-CD1 4.29Å; F254-I277 HydrophobicContact CG-CD1 4.27Å; F254-Y293 HydrophobicContact CD2-CD2 4.44Å; F254-Y293 HydrophobicContact CE2-CG 4.28Å; F254-Y293 PolarHBondContact N-O 3.22Å; F254-Y293 PolarHBondContact O-N 3.19Å; F254-I297 HydrophobicContact CE1-CG2 4.45Å; F254-I311 HydrophobicContact CE2-CD1 3.64Å; F254-I311 HydrophobicContact CE2-CG1 4.3Å; F254-I311 HydrophobicContact CZ-CD1 3.91Å; F254-I311 HydrophobicContact CZ-CG1 4.17Å; F254-L318 HydrophobicContact CZ-CD1 4.11Å |
| 255 | E | 92 | Very high | 87.9 | Confident | 116 Ų | 116 | 56.8 Ų | 56.8 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 161.6 | 177.9 | 63.3 | -177.4 | -176.9 | 0 | 0 | 111.2 | F268 R269 | E255-F268 CarbonylContact O-C 3.5Å; E255-F268 WeakPolarHBondContact O-CA 3.38Å; E255-F268 VanDerWaalsContact O-CB 3.31Å; E255-F268 WeakPolarHBondContact O-CB 3.47Å; E255-F268 WeakPolarHBondContact O-CD1 3.37Å; E255-R269 PolarHBondContact N-O 3.42Å; E255-R269 PolarHBondContact O-N 3.15Å |
| 256 | Y | 90.6 | Very high | 88.2 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 125.5 | 179.1 | 174.2 | -101.8 | 0 | 0 | 0 | 111.7 | G258 F266 F268 V287 R289 | Y256-G258 WeakPolarHBondContact CE2-O 3.46Å; Y256-G258 WeakPolarHBondContact OH-CA 3.28Å; Y256-G258 PolarHBondContact OH-O 2.83Å; Y256-F266 HydrophobicContact CE2-CB 4.48Å; Y256-F266 AromaticContact CE2-CD1 3.86Å; Y256-F266 HydrophobicContact CE2-CD1 3.86Å; Y256-F268 HydrophobicContact CD2-CE1 4.22Å; Y256-F268 HydrophobicContact CD2-CZ 4.43Å; Y256-V287 HydrophobicContact CD2-CG1 3.5Å; Y256-V287 VanDerWaalsContact CD2-CG1 3.5Å; Y256-V287 HydrophobicContact CE2-CG1 4.11Å; Y256-V287 HydrophobicContact CG-CG1 3.95Å; Y256-R289 HydrophobicContact CD1-CB 4.03Å; Y256-R289 HydrophobicContact CD1-CG 4.1Å; Y256-R289 HydrophobicContact CE1-CB 4.37Å; Y256-R289 HydrophobicContact CE1-CG 3.97Å |
| 257 | D | 88.9 | Confident | 88.5 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -46.6 | 177.8 | -169.2 | 97.2 | 0 | 0 | 0 | 112.2 | V267 R269 V481 S482 | D257-V267 HydrophobicContact CB-CG1 4.47Å; D257-V267 PolarHBondContact N-O 2.94Å; D257-R269 HydrophobicContact CB-CB 4.32Å; D257-R269 IonicContact OD1-CZ 3.61Å; D257-R269 IonicContact OD1-NE 2.81Å; D257-R269 PolarHBondContact OD1-NE 2.91Å; D257-R269 IonicContact OD1-NH2 3.66Å; D257-R269 PolarHBondContact OD1-NH2 2.93Å; D257-V481 WeakPolarHBondContact OD2-CG1 3.33Å; D257-S482 PolarHBondContact OD1-OG 2.67Å; D257-S482 PolarHBondContact OD2-N 2.84Å; D257-S482 PolarHBondContact OD2-OG 3.26Å; D257-S482 VanDerWaalsContact OD2-OG 3.12Å |
| 258 | G | 87.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | -171.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y256 V267 | Y256-G258 WeakPolarHBondContact CE2-O 3.46Å; Y256-G258 WeakPolarHBondContact OH-CA 3.28Å; Y256-G258 PolarHBondContact OH-O 2.83Å; G258-V267 PolarHBondContact N-O 3.1Å; G258-V267 VanDerWaalsContact N-O 3.15Å; G258-V267 PolarHBondContact O-N 2.88Å |
| 259 | F | 85.9 | Confident | 88.6 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.6 | 179.7 | -168.4 | -105.8 | 0 | 0 | 0 | 111.2 | E261 N264 F265 F266 R478 P479 | F259-E261 HydrophobicContact CD1-CG 4.05Å; F259-E261 HydrophobicContact CE1-CG 4.47Å; F259-N264 HydrophobicContact CZ-CB 4.43Å; F259-N264 VanDerWaalsContact CZ-OD1 3.3Å; F259-N264 WeakPolarHBondContact CZ-OD1 3.3Å; F259-F265 VanDerWaalsContact CD2-O 3.24Å; F259-F265 WeakPolarHBondContact CD2-O 3.28Å; F259-F265 VanDerWaalsContact CE2-O 3.31Å; F259-F265 WeakPolarHBondContact CE2-O 3.19Å; F259-F266 AromaticContact CD2-CD1 3.55Å; F259-F266 HydrophobicContact CD2-CD1 3.55Å; F259-F266 AromaticContact CD2-CE1 3.86Å; F259-F266 HydrophobicContact CD2-CE1 3.86Å; F259-F266 HydrophobicContact CD2-CG 4.22Å; F259-F266 HydrophobicContact CE2-CD1 4.03Å; F259-F266 HydrophobicContact CE2-CE1 4.15Å; F259-F266 HydrophobicContact CE2-CG 4.42Å; F259-R478 HydrophobicContact CB-CB 3.94Å; F259-R478 VanDerWaalsContact CE1-NH1 3.35Å; F259-P479 PolarHBondContact N-O 3.28Å |
| 260 | Y | 84.3 | Confident | 88.4 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 106.2 | 176.2 | -169.2 | -117.1 | 0 | 0 | 0 | 110.2 | D263 N264 F265 S303 I304 | Y260-D263 HydrophobicContact CD1-CB 4.11Å; Y260-D263 HydrophobicContact CE1-CB 4.24Å; Y260-N264 WeakPolarHBondContact O-CA 3.49Å; Y260-N264 PolarHBondContact O-N 2.93Å; Y260-F265 AromaticContact CD1-CE1 3.93Å; Y260-F265 HydrophobicContact CD1-CE1 3.93Å; Y260-F265 HydrophobicContact CD1-CE2 4.09Å; Y260-F265 AromaticContact CD1-CZ 3.63Å; Y260-F265 HydrophobicContact CD1-CZ 3.63Å; Y260-F265 HydrophobicContact CE1-CZ 4.37Å; Y260-F265 HydrophobicContact CG-CE2 4.32Å; Y260-F265 HydrophobicContact CG-CZ 4.29Å; Y260-F265 PolarHBondContact N-O 3.16Å; Y260-F265 PolarHBondContact O-N 2.78Å; Y260-S303 WeakPolarHBondContact CE1-OG 3.47Å; Y260-I304 HydrophobicContact CD1-CD1 3.87Å; Y260-I304 HydrophobicContact CD1-CG1 3.79Å; Y260-I304 HydrophobicContact CD2-CD1 3.74Å; Y260-I304 HydrophobicContact CD2-CG1 3.67Å; Y260-I304 HydrophobicContact CE1-CD1 4.36Å; Y260-I304 HydrophobicContact CE1-CG1 3.75Å; Y260-I304 HydrophobicContact CE2-CD1 4.26Å; Y260-I304 HydrophobicContact CE2-CG1 3.65Å; Y260-I304 HydrophobicContact CG-CD1 3.53Å; Y260-I304 HydrophobicContact CG-CG1 3.75Å |
| 261 | E | 80.4 | Confident | 87.6 | Confident | 148 Ų | 148 | 51.4 Ų | 51.4 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -36.7 | -169.8 | -63.4 | -172.4 | 155.9 | 0 | 0 | 113.3 | F259 D263 N264 | F259-E261 HydrophobicContact CD1-CG 4.05Å; F259-E261 HydrophobicContact CE1-CG 4.47Å; E261-D263 PolarHBondContact O-N 3.1Å; E261-N264 PolarHBondContact O-N 3.31Å |
| 262 | T | 78.9 | Confident | 87 | Confident | 108 Ų | 108 | 50 Ų | 50 | 66% | 0.663 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -46.7 | -174.6 | -51.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 263 | D | 77.1 | Confident | 86.7 | Confident | 74 Ų | 74 | 52 Ų | 52 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 4.9 | -178.7 | -64.6 | -30.7 | 0 | 0 | 0 | 112.9 | Y260 E261 F265 S303 | Y260-D263 HydrophobicContact CD1-CB 4.11Å; Y260-D263 HydrophobicContact CE1-CB 4.24Å; E261-D263 PolarHBondContact O-N 3.1Å; D263-F265 HydrophobicContact CB-CD1 3.57Å; D263-F265 HydrophobicContact CB-CE1 3.39Å; D263-F265 HydrophobicContact CB-CZ 4.48Å; D263-S303 VanDerWaalsContact OD2-CB 3.3Å; D263-S303 WeakPolarHBondContact OD2-CB 3.5Å; D263-S303 PolarHBondContact OD2-OG 2.86Å |
| 264 | N | 85 | Confident | 86.5 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 56.9 | 172 | -176.7 | 34.4 | 0 | 0 | 0 | 112.9 | F259 Y260 E261 K282 | F259-N264 HydrophobicContact CZ-CB 4.43Å; F259-N264 VanDerWaalsContact CZ-OD1 3.3Å; F259-N264 WeakPolarHBondContact CZ-OD1 3.3Å; Y260-N264 WeakPolarHBondContact O-CA 3.49Å; Y260-N264 PolarHBondContact O-N 2.93Å; E261-N264 PolarHBondContact O-N 3.31Å; N264-K282 VanDerWaalsContact O-CE 3.23Å; N264-K282 WeakPolarHBondContact O-CE 3.49Å; N264-K282 PolarHBondContact O-NZ 3.46Å; N264-K282 VanDerWaalsContact O-NZ 3.14Å |
| 265 | F | 86.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159.2 | 176 | 62.8 | -112.2 | 0 | 0 | 0 | 114.1 | F259 Y260 D263 V267 D279 I304 | F259-F265 VanDerWaalsContact CD2-O 3.24Å; F259-F265 WeakPolarHBondContact CD2-O 3.28Å; F259-F265 VanDerWaalsContact CE2-O 3.31Å; F259-F265 WeakPolarHBondContact CE2-O 3.19Å; Y260-F265 AromaticContact CD1-CE1 3.93Å; Y260-F265 HydrophobicContact CD1-CE1 3.93Å; Y260-F265 HydrophobicContact CD1-CE2 4.09Å; Y260-F265 AromaticContact CD1-CZ 3.63Å; Y260-F265 HydrophobicContact CD1-CZ 3.63Å; Y260-F265 HydrophobicContact CE1-CZ 4.37Å; Y260-F265 HydrophobicContact CG-CE2 4.32Å; Y260-F265 HydrophobicContact CG-CZ 4.29Å; Y260-F265 PolarHBondContact N-O 3.16Å; Y260-F265 PolarHBondContact O-N 2.78Å; D263-F265 HydrophobicContact CB-CD1 3.57Å; D263-F265 HydrophobicContact CB-CE1 3.39Å; D263-F265 HydrophobicContact CB-CZ 4.48Å; F265-V267 HydrophobicContact CD2-CG2 4.17Å; F265-V267 HydrophobicContact CE2-CG2 3.94Å; F265-D279 WeakPolarHBondContact CB-O 3.28Å; F265-I304 HydrophobicContact CE2-CD1 3.57Å; F265-I304 HydrophobicContact CZ-CD1 3.76Å; F265-I304 HydrophobicContact CZ-CG1 4.26Å |
| 266 | F | 89.4 | Confident | 86.1 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 148 | 177 | -60.7 | -70.6 | 0 | 0 | 0 | 111.9 | Y256 F259 F268 D279 M284 V287 | Y256-F266 HydrophobicContact CE2-CB 4.48Å; Y256-F266 AromaticContact CE2-CD1 3.86Å; Y256-F266 HydrophobicContact CE2-CD1 3.86Å; F259-F266 AromaticContact CD2-CD1 3.55Å; F259-F266 HydrophobicContact CD2-CD1 3.55Å; F259-F266 AromaticContact CD2-CE1 3.86Å; F259-F266 HydrophobicContact CD2-CE1 3.86Å; F259-F266 HydrophobicContact CD2-CG 4.22Å; F259-F266 HydrophobicContact CE2-CD1 4.03Å; F259-F266 HydrophobicContact CE2-CE1 4.15Å; F259-F266 HydrophobicContact CE2-CG 4.42Å; F266-F268 HydrophobicContact CB-CD2 4.48Å; F266-F268 HydrophobicContact CB-CE2 3.58Å; F266-F268 HydrophobicContact CB-CZ 4Å; F266-D279 HydrophobicContact CB-CB 4.24Å; F266-D279 PolarHBondContact O-N 3.02Å; F266-M284 HydrophobicContact CD2-CB 4.46Å; F266-V287 HydrophobicContact CD1-CB 4.47Å; F266-V287 HydrophobicContact CD1-CG2 4.21Å; F266-V287 HydrophobicContact CD2-CG2 3.64Å; F266-V287 HydrophobicContact CE1-CB 4.32Å; F266-V287 HydrophobicContact CE1-CG2 4.25Å; F266-V287 HydrophobicContact CE2-CG2 3.68Å; F266-V287 HydrophobicContact CG-CG2 3.92Å; F266-V287 HydrophobicContact CZ-CB 4.34Å; F266-V287 HydrophobicContact CZ-CG2 3.99Å |
| 267 | V | 90.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.3 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | D257 G258 F265 L276 I304 V481 | D257-V267 HydrophobicContact CB-CG1 4.47Å; D257-V267 PolarHBondContact N-O 2.94Å; G258-V267 PolarHBondContact N-O 3.1Å; G258-V267 VanDerWaalsContact N-O 3.15Å; G258-V267 PolarHBondContact O-N 2.88Å; F265-V267 HydrophobicContact CD2-CG2 4.17Å; F265-V267 HydrophobicContact CE2-CG2 3.94Å; V267-L276 HydrophobicContact CG1-CB 4.3Å; V267-L276 HydrophobicContact CG1-CD2 4.03Å; V267-I304 HydrophobicContact CG2-CD1 3.69Å; V267-V481 HydrophobicContact CB-CG2 4.04Å; V267-V481 HydrophobicContact CG1-CG1 4.14Å; V267-V481 HydrophobicContact CG1-CG2 4.45Å; V267-V481 HydrophobicContact CG2-CG2 3.8Å |
| 268 | F | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 165.4 | -178.5 | -61.3 | -93.8 | 0 | 0 | 0 | 109.8 | F254 E255 Y256 F266 L276 I277 D279 M284 V287 Y293 I311 | F254-F268 HydrophobicContact CB-CB 4.31Å; F254-F268 HydrophobicContact CD2-CB 3.7Å; F254-F268 AromaticContact CD2-CD1 3.67Å; F254-F268 HydrophobicContact CD2-CD1 3.67Å; F254-F268 AromaticContact CD2-CG 3.76Å; F254-F268 HydrophobicContact CD2-CG 3.76Å; F254-F268 HydrophobicContact CE2-CB 4.46Å; F254-F268 HydrophobicContact CE2-CD1 4.06Å; F254-F268 HydrophobicContact CE2-CG 4.14Å; F254-F268 HydrophobicContact CG-CB 4.33Å; E255-F268 CarbonylContact O-C 3.5Å; E255-F268 WeakPolarHBondContact O-CA 3.38Å; E255-F268 VanDerWaalsContact O-CB 3.31Å; E255-F268 WeakPolarHBondContact O-CB 3.47Å; E255-F268 WeakPolarHBondContact O-CD1 3.37Å; Y256-F268 HydrophobicContact CD2-CE1 4.22Å; Y256-F268 HydrophobicContact CD2-CZ 4.43Å; F266-F268 HydrophobicContact CB-CD2 4.48Å; F266-F268 HydrophobicContact CB-CE2 3.58Å; F266-F268 HydrophobicContact CB-CZ 4Å; F268-L276 WeakPolarHBondContact O-CA 3.27Å; F268-I277 HydrophobicContact CB-CB 4.36Å; F268-I277 PolarHBondContact N-O 3.07Å; F268-I277 PolarHBondContact O-N 2.81Å; F268-D279 HydrophobicContact CE2-CB 4.05Å; F268-M284 HydrophobicContact CE1-CE 3.78Å; F268-M284 HydrophobicContact CE2-CG 3.76Å; F268-M284 HydrophobicContact CZ-CB 4.26Å; F268-M284 HydrophobicContact CZ-CE 3.61Å; F268-M284 HydrophobicContact CZ-CG 3.67Å; F268-M284 HydrophobicContact CZ-SD 4.32Å; F268-V287 HydrophobicContact CE1-CG1 4Å; F268-V287 HydrophobicContact CZ-CG1 3.96Å; F268-V287 HydrophobicContact CZ-CG2 4.01Å; F268-Y293 HydrophobicContact CD1-CD2 4.26Å; F268-Y293 HydrophobicContact CD1-CE2 4.39Å; F268-Y293 HydrophobicContact CE1-CD2 4.01Å; F268-Y293 AromaticContact CE1-CE2 3.82Å; F268-Y293 HydrophobicContact CE1-CE2 3.82Å; F268-I311 HydrophobicContact CD2-CD1 3.61Å; F268-I311 HydrophobicContact CE2-CD1 3.68Å; F268-I311 HydrophobicContact CG-CD1 4.29Å; F268-I311 HydrophobicContact CZ-CD1 4.39Å |
| 269 | R | 89.8 | Confident | 86.4 | Confident | 51 Ų | 51 | 40.4 Ų | 40.4 | 19% | 0.192 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136.5 | 178 | -166.8 | -168.5 | -68 | -117.3 | 8.8 | 109.6 | F254 E255 D257 G275 S482 S485 | F254-R269 CarbonylContact C-O 3.54Å; F254-R269 WeakPolarHBondContact CA-O 3.03Å; F254-R269 VanDerWaalsContact CB-O 3.28Å; F254-R269 WeakPolarHBondContact CB-O 3.23Å; E255-R269 PolarHBondContact N-O 3.42Å; E255-R269 PolarHBondContact O-N 3.15Å; D257-R269 HydrophobicContact CB-CB 4.32Å; D257-R269 IonicContact OD1-CZ 3.61Å; D257-R269 IonicContact OD1-NE 2.81Å; D257-R269 PolarHBondContact OD1-NE 2.91Å; D257-R269 IonicContact OD1-NH2 3.66Å; D257-R269 PolarHBondContact OD1-NH2 2.93Å; R269-G275 WeakPolarHBondContact CA-O 3.33Å; R269-S482 PolarHBondContact NH2-OG 3.14Å; R269-S485 PolarHBondContact NH1-OG 2.56Å |
| 270 | D | 88.6 | Confident | 86.4 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -177.9 | 170.1 | 87 | -50.3 | 0 | 0 | 0 | 111.4 | G272 Y273 F274 G275 I277 | D270-G272 PolarHBondContact O-N 3.37Å; D270-G272 PolarHBondContact OD1-N 2.97Å; D270-G272 VanDerWaalsContact OD1-N 3.14Å; D270-G272 PolarHBondContact OD2-N 2.73Å; D270-Y273 PolarHBondContact OD1-N 2.75Å; D270-Y273 VanDerWaalsContact OD2-CA 3.29Å; D270-Y273 WeakPolarHBondContact OD2-CA 3.34Å; D270-Y273 VanDerWaalsContact OD2-CB 3.25Å; D270-Y273 WeakPolarHBondContact OD2-CB 3.21Å; D270-Y273 PolarHBondContact OD2-N 2.82Å; D270-F274 VanDerWaalsContact CG-N 3.26Å; D270-F274 PolarHBondContact OD1-N 2.83Å; D270-F274 PolarHBondContact OD2-N 3.4Å; D270-G275 PolarHBondContact N-O 3.04Å; D270-G275 PolarHBondContact OD1-N 2.66Å; D270-I277 HydrophobicContact CB-CD1 4.04Å |
| 271 | S | 78.6 | Confident | 86.4 | Confident | 118 Ų | 118 | 40.2 Ų | 40.2 | 83% | 0.825 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -66.6 | 15.1 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 272 | G | 80.8 | Confident | 86.7 | Confident | 39 Ų | 39 | 38.7 Ų | 38.7 | 40% | 0.402 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 98.1 | 20 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | K193 D270 | K193-G272 WeakPolarHBondContact CE-O 3.43Å; K193-G272 PolarHBondContact NZ-O 3.49Å; D270-G272 PolarHBondContact O-N 3.37Å; D270-G272 PolarHBondContact OD1-N 2.97Å; D270-G272 VanDerWaalsContact OD1-N 3.14Å; D270-G272 PolarHBondContact OD2-N 2.73Å |
| 273 | Y | 87.9 | Confident | 87 | Confident | 46 Ų | 46 | 34.8 Ų | 34.8 | 18% | 0.18 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -90.1 | -47.1 | 171.2 | -164.1 | -75.5 | 0 | 0 | 0 | 112.1 | F191 K193 W216 I238 F239 D270 | F191-Y273 HydrophobicContact CE1-CE1 4.11Å; K193-Y273 HydrophobicContact CB-CD1 4.47Å; K193-Y273 HydrophobicContact CB-CE1 4.11Å; K193-Y273 HydrophobicContact CD-CD1 4.4Å; K193-Y273 HydrophobicContact CD-CD2 3.82Å; K193-Y273 HydrophobicContact CD-CE2 4.08Å; K193-Y273 HydrophobicContact CD-CG 3.98Å; W216-Y273 AromaticContact CH2-CE1 3.96Å; W216-Y273 HydrophobicContact CH2-CE1 3.96Å; W216-Y273 HydrophobicContact CZ3-CE1 4.46Å; W216-Y273 WeakPolarHBondContact CZ3-OH 3.48Å; I238-Y273 HydrophobicContact CG2-CE2 4.33Å; F239-Y273 AromaticContact CE2-CD1 3.84Å; F239-Y273 HydrophobicContact CE2-CD1 3.84Å; F239-Y273 AromaticContact CE2-CD2 3.74Å; F239-Y273 HydrophobicContact CE2-CD2 3.74Å; F239-Y273 HydrophobicContact CE2-CE1 4.05Å; F239-Y273 AromaticContact CE2-CE2 3.95Å; F239-Y273 HydrophobicContact CE2-CE2 3.95Å; F239-Y273 AromaticContact CE2-CG 3.69Å; F239-Y273 HydrophobicContact CE2-CG 3.69Å; F239-Y273 HydrophobicContact CZ-CD1 4.41Å; F239-Y273 HydrophobicContact CZ-CD2 4.08Å; F239-Y273 AromaticContact CZ-CG 3.94Å; F239-Y273 HydrophobicContact CZ-CG 3.94Å; D270-Y273 PolarHBondContact OD1-N 2.75Å; D270-Y273 VanDerWaalsContact OD2-CA 3.29Å; D270-Y273 WeakPolarHBondContact OD2-CA 3.34Å; D270-Y273 VanDerWaalsContact OD2-CB 3.25Å; D270-Y273 WeakPolarHBondContact OD2-CB 3.21Å; D270-Y273 PolarHBondContact OD2-N 2.82Å |
| 274 | F | 88.1 | Confident | 87.4 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -102 | -21.6 | -175.5 | -61.8 | -76.2 | 0 | 0 | 0 | 113.5 | F191 W216 F239 I250 V252 D270 I297 W309 | F191-F274 HydrophobicContact CD1-CE1 4.34Å; F191-F274 AromaticContact CE1-CD1 3.8Å; F191-F274 HydrophobicContact CE1-CD1 3.8Å; F191-F274 AromaticContact CE1-CE1 3.78Å; F191-F274 HydrophobicContact CE1-CE1 3.78Å; F191-F274 HydrophobicContact CZ-CD1 4.16Å; W216-F274 HydrophobicContact CH2-CZ 4.3Å; W216-F274 HydrophobicContact CZ2-CZ 4.48Å; F239-F274 HydrophobicContact CD1-CE2 4.32Å; F239-F274 AromaticContact CD2-CE2 3.83Å; F239-F274 HydrophobicContact CD2-CE2 3.83Å; F239-F274 AromaticContact CD2-CZ 3.75Å; F239-F274 HydrophobicContact CD2-CZ 3.75Å; F239-F274 HydrophobicContact CE1-CE2 4.1Å; F239-F274 AromaticContact CE2-CE2 3.57Å; F239-F274 HydrophobicContact CE2-CE2 3.57Å; F239-F274 AromaticContact CE2-CZ 3.81Å; F239-F274 HydrophobicContact CE2-CZ 3.81Å; F239-F274 HydrophobicContact CG-CE2 4.2Å; F239-F274 HydrophobicContact CG-CZ 4.32Å; F239-F274 AromaticContact CZ-CE2 3.72Å; F239-F274 HydrophobicContact CZ-CE2 3.72Å; F239-F274 HydrophobicContact CZ-CZ 4.42Å; I250-F274 HydrophobicContact CD1-CE1 3.5Å; I250-F274 HydrophobicContact CD1-CZ 3.67Å; I250-F274 HydrophobicContact CG2-CE2 4.49Å; I250-F274 HydrophobicContact CG2-CZ 4.03Å; V252-F274 HydrophobicContact CG1-CD2 3.66Å; V252-F274 HydrophobicContact CG1-CE2 3.39Å; V252-F274 HydrophobicContact CG1-CZ 4.26Å; D270-F274 VanDerWaalsContact CG-N 3.26Å; D270-F274 PolarHBondContact OD1-N 2.83Å; D270-F274 PolarHBondContact OD2-N 3.4Å; F274-I297 HydrophobicContact CB-CD1 4.22Å; F274-I297 HydrophobicContact CD1-CD1 4.21Å; F274-I297 HydrophobicContact CD2-CD1 4.17Å; F274-I297 HydrophobicContact CG-CD1 3.92Å; F274-W309 HydrophobicContact CB-CG 4.31Å; F274-W309 HydrophobicContact CD1-CD2 4.14Å; F274-W309 AromaticContact CD1-CE2 3.55Å; F274-W309 HydrophobicContact CD1-CH2 4.29Å; F274-W309 AromaticContact CD1-CZ2 3.66Å; F274-W309 HydrophobicContact CD1-CZ2 3.66Å; F274-W309 AromaticContact CD1-NE1 3.69Å; F274-W309 HydrophobicContact CE1-CH2 4.21Å; F274-W309 AromaticContact CE1-CZ2 3.91Å; F274-W309 HydrophobicContact CE1-CZ2 3.91Å |
| 275 | G | 87.6 | Confident | 87 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 16% | 0.155 | 18% | 0.183 | C | C | . | . | trans | 87.2 | -130.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R269 D270 | R269-G275 WeakPolarHBondContact CA-O 3.33Å; D270-G275 PolarHBondContact N-O 3.04Å; D270-G275 PolarHBondContact OD1-N 2.66Å | ||
| 276 | L | 89.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.1 | 176.9 | -64 | -179.3 | 0 | 0 | 0 | 111 | V267 F268 I304 C307 V481 T486 | V267-L276 HydrophobicContact CG1-CB 4.3Å; V267-L276 HydrophobicContact CG1-CD2 4.03Å; F268-L276 WeakPolarHBondContact O-CA 3.27Å; L276-I304 HydrophobicContact CD1-CG2 4.26Å; L276-C307 HydrophobicContact CB-CB 3.95Å; L276-C307 PolarHBondContact O-SG 2.92Å; L276-V481 HydrophobicContact CD1-CG1 4.09Å; L276-T486 HydrophobicContact CG-CG2 4.29Å |
| 277 | I | 91.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.1 | 177.8 | -60.2 | 160.2 | 0 | 0 | 0 | 107.6 | V252 F254 F268 D270 I297 W309 I311 | V252-I277 HydrophobicContact CG2-CD1 4.4Å; F254-I277 HydrophobicContact CB-CD1 3.99Å; F254-I277 HydrophobicContact CD1-CD1 4.29Å; F254-I277 HydrophobicContact CG-CD1 4.27Å; F268-I277 HydrophobicContact CB-CB 4.36Å; F268-I277 PolarHBondContact N-O 3.07Å; F268-I277 PolarHBondContact O-N 2.81Å; D270-I277 HydrophobicContact CB-CD1 4.04Å; I277-I297 HydrophobicContact CD1-CD1 4.31Å; I277-I297 HydrophobicContact CD1-CG2 4.16Å; I277-I297 HydrophobicContact CG1-CD1 4.49Å; I277-I297 HydrophobicContact CG1-CG2 4.47Å; I277-I297 HydrophobicContact CG2-CG2 3.74Å; I277-W309 HydrophobicContact CG1-CB 4.02Å; I277-I311 HydrophobicContact CG2-CG1 3.79Å |
| 278 | S | 91.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 147.1 | 178.6 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | S280 T302 W309 A310 I311 | S278-S280 VanDerWaalsContact C-N 3.27Å; S278-S280 PolarHBondContact O-N 2.83Å; S278-T302 WeakPolarHBondContact OG-CG2 3.41Å; S278-W309 PolarHBondContact N-O 3.34Å; S278-W309 PolarHBondContact OG-O 2.83Å; S278-W309 VanDerWaalsContact OG-O 3.07Å; S278-A310 CarbonylContact O-C 3.47Å; S278-A310 WeakPolarHBondContact O-CA 3.41Å; S278-A310 WeakPolarHBondContact OG-CB 3.27Å; S278-I311 PolarHBondContact O-N 2.89Å |
| 279 | D | 90.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | trans | -95.8 | 49.5 | 162.2 | -170.2 | 32.1 | 0 | 0 | 0 | 111.2 | F265 F266 F268 F281 K282 T283 M284 I311 | F265-D279 WeakPolarHBondContact CB-O 3.28Å; F266-D279 HydrophobicContact CB-CB 4.24Å; F266-D279 PolarHBondContact O-N 3.02Å; F268-D279 HydrophobicContact CE2-CB 4.05Å; D279-F281 PolarHBondContact O-N 2.8Å; D279-F281 VanDerWaalsContact O-N 3.14Å; D279-K282 PolarHBondContact O-N 2.95Å; D279-K282 PolarHBondContact OD1-N 3.07Å; D279-K282 WeakPolarHBondContact OD2-CA 3.2Å; D279-T283 WeakPolarHBondContact OD1-CB 3.04Å; D279-T283 PolarHBondContact OD1-N 3.38Å; D279-T283 PolarHBondContact OD2-N 3.2Å; D279-M284 HydrophobicContact CB-CG 4.22Å; D279-M284 PolarHBondContact OD1-N 2.89Å; D279-M284 VanDerWaalsContact OD2-CB 3.22Å; D279-M284 WeakPolarHBondContact OD2-CB 3.49Å; D279-M284 PolarHBondContact OD2-N 3.33Å; D279-I311 HydrophobicContact CB-CD1 4.18Å | ||
| 280 | S | 85.9 | Confident | 84.9 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -31.8 | -179.8 | 60 | 0 | 0 | 0 | 0 | 112.8 | S278 Q300 | S278-S280 VanDerWaalsContact C-N 3.27Å; S278-S280 PolarHBondContact O-N 2.83Å; S280-Q300 PolarHBondContact OG-OE1 3.07Å |
| 281 | F | 84.7 | Confident | 84.6 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.1 | 178.4 | -58.8 | -70.7 | 0 | 0 | 0 | 114.7 | D279 T283 V298 A310 I311 P313 P502 | D279-F281 PolarHBondContact O-N 2.8Å; D279-F281 VanDerWaalsContact O-N 3.14Å; F281-T283 VanDerWaalsContact C-N 3.31Å; F281-T283 PolarHBondContact O-N 2.91Å; F281-V298 HydrophobicContact CE2-CG2 4.11Å; F281-A310 HydrophobicContact CD2-CB 4.21Å; F281-A310 HydrophobicContact CE2-CB 3.91Å; F281-I311 WeakPolarHBondContact CD2-O 3.47Å; F281-P313 HydrophobicContact CB-CB 3.99Å; F281-P313 HydrophobicContact CD1-CB 4.39Å; F281-P313 HydrophobicContact CD1-CG 4.42Å; F281-P313 HydrophobicContact CD2-CG 4.41Å; F281-P313 HydrophobicContact CG-CB 4.06Å; F281-P313 HydrophobicContact CG-CG 4.25Å; F281-P502 HydrophobicContact CD1-CG 4.43Å; F281-P502 HydrophobicContact CE1-CG 3.66Å; F281-P502 HydrophobicContact CZ-CG 4.02Å |
| 282 | K | 86.1 | Confident | 85 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 50% | 0.504 | 26% | 0.259 | S | S | . | . | trans | 57.9 | 42.5 | 178.8 | -54.4 | -177.1 | -176.5 | -171.6 | 0 | 112.6 | N264 D279 | N264-K282 VanDerWaalsContact O-CE 3.23Å; N264-K282 WeakPolarHBondContact O-CE 3.49Å; N264-K282 PolarHBondContact O-NZ 3.46Å; N264-K282 VanDerWaalsContact O-NZ 3.14Å; D279-K282 PolarHBondContact O-N 2.95Å; D279-K282 PolarHBondContact OD1-N 3.07Å; D279-K282 WeakPolarHBondContact OD2-CA 3.2Å | ||
| 283 | T | 85.9 | Confident | 85.4 | Confident | 26 Ų | 26 | 50 Ų | 50 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | trans | -73 | -34.8 | 177.8 | -49.3 | 0 | 0 | 0 | 0 | 110.8 | D279 F281 I311 S312 Q315 | D279-T283 WeakPolarHBondContact OD1-CB 3.04Å; D279-T283 PolarHBondContact OD1-N 3.38Å; D279-T283 PolarHBondContact OD2-N 3.2Å; F281-T283 VanDerWaalsContact C-N 3.31Å; F281-T283 PolarHBondContact O-N 2.91Å; T283-I311 HydrophobicContact CG2-CG2 4.06Å; T283-S312 PolarHBondContact OG1-O 3.28Å; T283-Q315 HydrophobicContact CG2-CG 4.22Å | ||
| 284 | M | 84.1 | Confident | 85.6 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.044 | 25% | 0.245 | C | C | . | . | trans | -76.1 | 134.2 | -176.8 | -60.3 | -66.2 | -73.8 | 0 | 0 | 111.2 | F266 F268 D279 V287 Y293 I311 L318 | F266-M284 HydrophobicContact CD2-CB 4.46Å; F268-M284 HydrophobicContact CE1-CE 3.78Å; F268-M284 HydrophobicContact CE2-CG 3.76Å; F268-M284 HydrophobicContact CZ-CB 4.26Å; F268-M284 HydrophobicContact CZ-CE 3.61Å; F268-M284 HydrophobicContact CZ-CG 3.67Å; F268-M284 HydrophobicContact CZ-SD 4.32Å; D279-M284 HydrophobicContact CB-CG 4.22Å; D279-M284 PolarHBondContact OD1-N 2.89Å; D279-M284 VanDerWaalsContact OD2-CB 3.22Å; D279-M284 WeakPolarHBondContact OD2-CB 3.49Å; D279-M284 PolarHBondContact OD2-N 3.33Å; M284-V287 HydrophobicContact CB-CG2 3.77Å; M284-V287 HydrophobicContact CE-CG2 4.48Å; M284-Y293 HydrophobicContact CE-CD1 3.36Å; M284-Y293 HydrophobicContact CE-CD2 4.18Å; M284-Y293 HydrophobicContact CE-CE1 3.34Å; M284-Y293 HydrophobicContact CE-CE2 4.2Å; M284-Y293 HydrophobicContact CE-CG 3.8Å; M284-I311 HydrophobicContact CG-CD1 3.53Å; M284-I311 HydrophobicContact SD-CD1 3.81Å; M284-L318 HydrophobicContact CE-CB 4.18Å; M284-L318 HydrophobicContact SD-CB 3.6Å; M284-L318 VanDerWaalsContact SD-CB 3.6Å; M284-L318 HydrophobicContact SD-CD1 3.41Å; M284-L318 WeakPolarHBondContact SD-CD1 3.38Å; M284-L318 HydrophobicContact SD-CG 4.13Å | ||
| 285 | R | 77.1 | Confident | 85.8 | Confident | 169 Ų | 169 | 49.1 Ų | 49.1 | 64% | 0.638 | 24% | 0.243 | S | C | * | . | trans | -123.6 | 141.6 | 172.2 | -73.8 | 179.2 | -88.5 | 179.4 | -5.5 | 108.5 | V287 | R285-V287 PolarHBondContact O-N 2.89Š| ||
| 286 | D | 74.6 | Confident | 86.1 | Confident | 157 Ų | 157 | 50.7 Ų | 50.7 | 84% | 0.84 | 24% | 0.244 | S | C | * | . | S | Bend | trans | 52 | 53.9 | 175.1 | -53.2 | -45.6 | 0 | 0 | 0 | 114.4 | D288 | D286-D288 PolarHBondContact O-N 2.99Å; D286-D288 VanDerWaalsContact O-N 3.13Å |
| 287 | V | 82.9 | Confident | 86.3 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | trans | -61.8 | 111.2 | -177.5 | -177.7 | 0 | 0 | 0 | 0 | 112 | Y256 F266 F268 M284 R285 | Y256-V287 HydrophobicContact CD2-CG1 3.5Å; Y256-V287 VanDerWaalsContact CD2-CG1 3.5Å; Y256-V287 HydrophobicContact CE2-CG1 4.11Å; Y256-V287 HydrophobicContact CG-CG1 3.95Å; F266-V287 HydrophobicContact CD1-CB 4.47Å; F266-V287 HydrophobicContact CD1-CG2 4.21Å; F266-V287 HydrophobicContact CD2-CG2 3.64Å; F266-V287 HydrophobicContact CE1-CB 4.32Å; F266-V287 HydrophobicContact CE1-CG2 4.25Å; F266-V287 HydrophobicContact CE2-CG2 3.68Å; F266-V287 HydrophobicContact CG-CG2 3.92Å; F266-V287 HydrophobicContact CZ-CB 4.34Å; F266-V287 HydrophobicContact CZ-CG2 3.99Å; F268-V287 HydrophobicContact CE1-CG1 4Å; F268-V287 HydrophobicContact CZ-CG1 3.96Å; F268-V287 HydrophobicContact CZ-CG2 4.01Å; M284-V287 HydrophobicContact CB-CG2 3.77Å; M284-V287 HydrophobicContact CE-CG2 4.48Å; R285-V287 PolarHBondContact O-N 2.89Å | ||
| 288 | D | 83.6 | Confident | 86.3 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | trans | -69.9 | 127.7 | 162.6 | -176.9 | 1 | 0 | 0 | 0 | 109.7 | D286 N290 G291 Y293 P320 | D286-D288 PolarHBondContact O-N 2.99Å; D286-D288 VanDerWaalsContact O-N 3.13Å; D288-N290 PolarHBondContact O-N 2.83Å; D288-N290 PolarHBondContact OD1-N 3.25Å; D288-G291 PolarHBondContact O-N 2.82Å; D288-Y293 PolarHBondContact N-OH 2.83Å; D288-Y293 PolarHBondContact O-OH 3.45Å; D288-P320 HydrophobicContact CB-CG 3.83Å | ||
| 289 | R | 81.8 | Confident | 86.2 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23 | 178.1 | -64 | -175.1 | 179.5 | -163.7 | -2 | 112.8 | Y256 | Y256-R289 HydrophobicContact CD1-CB 4.03Å; Y256-R289 HydrophobicContact CD1-CG 4.1Å; Y256-R289 HydrophobicContact CE1-CB 4.37Å; Y256-R289 HydrophobicContact CE1-CG 3.97Å |
| 290 | N | 82 | Confident | 85.9 | Confident | 137 Ų | 137 | 52.8 Ų | 52.8 | 73% | 0.733 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 14.2 | 177.6 | -58.3 | -13.7 | 0 | 0 | 0 | 111.5 | D288 N322 | D288-N290 PolarHBondContact O-N 2.83Å; D288-N290 PolarHBondContact OD1-N 3.25Å; N290-N322 PolarHBondContact O-ND2 3.2Å |
| 291 | G | 81.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -79.3 | 131.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D288 Y293 | D288-G291 PolarHBondContact O-N 2.82Å; G291-Y293 VanDerWaalsContact O-CD2 3.32Å; G291-Y293 WeakPolarHBondContact O-CD2 3.35Å; G291-Y293 WeakPolarHBondContact O-CE2 3.45Å | ||
| 292 | Q | 87.3 | Confident | 84.7 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.5 | 160.6 | -175.4 | 176.3 | 0.1 | 0 | 0 | 108 | E253 P320 A321 | E253-Q292 PolarHBondContact OE2-NE2 2.79Å; Q292-P320 CarbonylContact O-C 3.56Å; Q292-P320 WeakPolarHBondContact O-CA 3.41Å; Q292-A321 PolarHBondContact O-N 3.18Å |
| 293 | Y | 89.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 153.9 | -176.3 | -53.7 | -94.1 | 0 | 0 | 0 | 109.5 | E253 F254 F268 M284 D288 G291 P320 | E253-Y293 CarbonylContact C-O 3.51Å; E253-Y293 VanDerWaalsContact CA-O 3.27Å; E253-Y293 WeakPolarHBondContact CA-O 3.34Å; F254-Y293 HydrophobicContact CD2-CD2 4.44Å; F254-Y293 HydrophobicContact CE2-CG 4.28Å; F254-Y293 PolarHBondContact N-O 3.22Å; F254-Y293 PolarHBondContact O-N 3.19Å; F268-Y293 HydrophobicContact CD1-CD2 4.26Å; F268-Y293 HydrophobicContact CD1-CE2 4.39Å; F268-Y293 HydrophobicContact CE1-CD2 4.01Å; F268-Y293 AromaticContact CE1-CE2 3.82Å; F268-Y293 HydrophobicContact CE1-CE2 3.82Å; M284-Y293 HydrophobicContact CE-CD1 3.36Å; M284-Y293 HydrophobicContact CE-CD2 4.18Å; M284-Y293 HydrophobicContact CE-CE1 3.34Å; M284-Y293 HydrophobicContact CE-CE2 4.2Å; M284-Y293 HydrophobicContact CE-CG 3.8Å; D288-Y293 PolarHBondContact N-OH 2.83Å; D288-Y293 PolarHBondContact O-OH 3.45Å; G291-Y293 VanDerWaalsContact O-CD2 3.32Å; G291-Y293 WeakPolarHBondContact O-CD2 3.35Å; G291-Y293 WeakPolarHBondContact O-CE2 3.45Å; Y293-P320 HydrophobicContact CD1-CG 4.42Å; Y293-P320 HydrophobicContact CE1-CB 4.36Å; Y293-P320 HydrophobicContact CE1-CG 3.6Å |
| 294 | S | 90.7 | Very high | 83.3 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122.9 | 174.2 | -45 | 0 | 0 | 0 | 0 | 108.3 | V252 L318 | V252-S294 CarbonylContact O-C 3.56Å; V252-S294 WeakPolarHBondContact O-CA 3.43Å; S294-L318 WeakPolarHBondContact O-CD2 3.46Å |
| 295 | G | 92.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 170.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F251 V252 Q315 | F251-G295 WeakPolarHBondContact CA-O 3.3Å; V252-G295 PolarHBondContact N-O 3.14Å; V252-G295 PolarHBondContact O-N 3.39Å; G295-Q315 VanDerWaalsContact CA-OE1 3.31Å |
| 296 | W | 94.7 | Very high | 82.1 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 132.8 | 177.4 | -62.2 | 92.3 | 0 | 0 | 0 | 110.7 | P240 R242 E249 I250 F251 S312 Q315 | P240-W296 HydrophobicContact CB-CH2 4.38Å; R242-W296 HydrophobicContact CB-CE3 4.48Å; R242-W296 HydrophobicContact CB-CH2 3.99Å; R242-W296 HydrophobicContact CB-CZ3 3.89Å; R242-W296 HydrophobicContact CG-CD2 4.1Å; R242-W296 HydrophobicContact CG-CE3 3.63Å; R242-W296 HydrophobicContact CG-CH2 3.91Å; R242-W296 HydrophobicContact CG-CZ2 4.36Å; R242-W296 HydrophobicContact CG-CZ3 3.53Å; R242-W296 VanDerWaalsContact CZ-CG 3.41Å; R242-W296 VanDerWaalsContact NE-CD2 3.26Å; E249-W296 HydrophobicContact CB-CB 4.42Å; E249-W296 HydrophobicContact CB-CE3 4.04Å; I250-W296 CarbonylContact O-C 3.58Å; I250-W296 WeakPolarHBondContact O-CA 3.14Å; F251-W296 HydrophobicContact CB-CD2 4.05Å; F251-W296 HydrophobicContact CB-CE3 3.83Å; F251-W296 HydrophobicContact CB-CH2 3.83Å; F251-W296 HydrophobicContact CB-CZ2 4.04Å; F251-W296 HydrophobicContact CB-CZ3 3.71Å; F251-W296 AromaticContact CD2-CD1 3.89Å; F251-W296 AromaticContact CD2-CD2 3.87Å; F251-W296 HydrophobicContact CD2-CD2 3.87Å; F251-W296 AromaticContact CD2-CE2 3.59Å; F251-W296 HydrophobicContact CD2-CE3 4.5Å; F251-W296 HydrophobicContact CD2-CG 4.07Å; F251-W296 HydrophobicContact CD2-CZ2 4.04Å; F251-W296 AromaticContact CD2-NE1 3.6Å; F251-W296 HydrophobicContact CG-CD2 4.47Å; F251-W296 HydrophobicContact CG-CZ2 4.34Å; W296-S312 WeakPolarHBondContact O-CB 3.32Å; W296-S312 PolarHBondContact O-N 3.04Å; W296-Q315 PolarHBondContact O-NE2 2.83Å |
| 297 | I | 93.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.4 | 174.1 | 64.5 | 169.9 | 0 | 0 | 0 | 111.7 | E249 I250 V252 F254 F274 I277 W309 A310 | E249-I297 VanDerWaalsContact CA-O 3.28Å; E249-I297 WeakPolarHBondContact CA-O 3.41Å; I250-I297 HydrophobicContact CB-CG1 4.2Å; I250-I297 PolarHBondContact N-O 3.48Å; I250-I297 PolarHBondContact O-N 2.72Å; V252-I297 HydrophobicContact CB-CD1 4.48Å; V252-I297 HydrophobicContact CG1-CD1 3.92Å; V252-I297 HydrophobicContact CG1-CG1 4.25Å; V252-I297 HydrophobicContact CG2-CB 4.22Å; V252-I297 HydrophobicContact CG2-CD1 3.75Å; V252-I297 HydrophobicContact CG2-CG1 3.75Å; V252-I297 HydrophobicContact CG2-CG2 3.53Å; F254-I297 HydrophobicContact CE1-CG2 4.45Å; F274-I297 HydrophobicContact CB-CD1 4.22Å; F274-I297 HydrophobicContact CD1-CD1 4.21Å; F274-I297 HydrophobicContact CD2-CD1 4.17Å; F274-I297 HydrophobicContact CG-CD1 3.92Å; I277-I297 HydrophobicContact CD1-CD1 4.31Å; I277-I297 HydrophobicContact CD1-CG2 4.16Å; I277-I297 HydrophobicContact CG1-CD1 4.49Å; I277-I297 HydrophobicContact CG1-CG2 4.47Å; I277-I297 HydrophobicContact CG2-CG2 3.74Å; I297-W309 HydrophobicContact CB-CE3 4.32Å; I297-W309 HydrophobicContact CD1-CB 4.19Å; I297-W309 HydrophobicContact CD1-CD2 3.84Å; I297-W309 HydrophobicContact CD1-CE3 3.58Å; I297-W309 HydrophobicContact CD1-CG 4.09Å; I297-W309 HydrophobicContact CD1-CZ3 4.26Å; I297-W309 HydrophobicContact CG1-CE3 3.8Å; I297-W309 HydrophobicContact CG1-CZ3 4.29Å; I297-A310 CarbonylContact C-O 3.16Å; I297-A310 WeakPolarHBondContact CA-O 3.44Å; I297-A310 WeakPolarHBondContact CB-O 3.33Å |
| 298 | V | 92.3 | Very high | 82.7 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.5 | 179.2 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | V247 E249 F281 Q300 W309 A310 A500 | V247-V298 HydrophobicContact CG1-CB 4.03Å; V247-V298 HydrophobicContact CG1-CG1 3.85Å; E249-V298 HydrophobicContact CB-CG1 4.26Å; E249-V298 HydrophobicContact CG-CG1 3.75Å; E249-V298 VanDerWaalsContact OE1-CG1 3.28Å; E249-V298 WeakPolarHBondContact OE1-CG1 3.29Å; F281-V298 HydrophobicContact CE2-CG2 4.11Å; V298-Q300 PolarHBondContact O-N 3.05Å; V298-W309 VanDerWaalsContact C-CE3 3.44Å; V298-W309 WeakPolarHBondContact O-CA 3.41Å; V298-A310 HydrophobicContact CG2-CB 4.21Å; V298-A310 PolarHBondContact N-O 2.77Å; V298-A310 PolarHBondContact O-N 3.29Å; V298-A500 HydrophobicContact CG2-CB 4.41Å |
| 299 | R | 89.7 | Confident | 83 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 5% | 0.045 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.9 | 174 | -174.1 | 76.8 | -179.1 | 80.9 | 2.1 | 109.2 | C180 D198 N308 W309 Y499 A500 | C180-R299 HydrophobicContact CB-CB 3.81Å; C180-R299 HydrophobicContact CB-CG 4Å; D198-R299 IonicContact OD1-NE 2.66Å; D198-R299 IonicContact OD1-NH2 3.12Å; D198-R299 IonicContact OD2-CZ 3.94Å; D198-R299 IonicContact OD2-NE 2.69Å; D198-R299 PolarHBondContact OD2-NE 3.2Å; D198-R299 IonicContact OD2-NH2 3.73Å; D198-R299 PolarHBondContact OD2-NH2 3.28Å; R299-N308 WeakPolarHBondContact CD-O 3.32Å; R299-N308 VanDerWaalsContact CZ-OD1 3.31Å; R299-N308 VanDerWaalsContact NH1-CG 3.34Å; R299-N308 PolarHBondContact NH1-O 3.17Å; R299-N308 PolarHBondContact NH1-OD1 3.29Å; R299-N308 PolarHBondContact NH2-OD1 3.5Å; R299-N308 VanDerWaalsContact NH2-OD1 3.07Å; R299-W309 HydrophobicContact CB-CE3 4.41Å; R299-W309 HydrophobicContact CB-CH2 4.24Å; R299-W309 HydrophobicContact CB-CZ3 4.06Å; R299-Y499 HydrophobicContact CG-CD1 3.99Å; R299-Y499 HydrophobicContact CG-CD2 4.42Å; R299-Y499 HydrophobicContact CG-CE1 4.48Å; R299-Y499 HydrophobicContact CG-CG 3.96Å; R299-Y499 VanDerWaalsContact O-CB 3.3Å; R299-Y499 WeakPolarHBondContact O-CB 3.43Å; R299-A500 WeakPolarHBondContact O-CB 3.18Å |
| 300 | Q | 84.1 | Confident | 83.5 | Confident | 31 Ų | 31 | 35 Ų | 35 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | trans | -142.1 | 150.8 | 179.6 | -160.6 | -174.8 | 4.6 | 0 | 0 | 110.9 | S280 V298 N308 A310 A500 | S280-Q300 PolarHBondContact OG-OE1 3.07Å; V298-Q300 PolarHBondContact O-N 3.05Å; Q300-N308 PolarHBondContact N-O 2.86Å; Q300-N308 CarbonylContact O-C 3.55Å; Q300-N308 WeakPolarHBondContact O-CA 3.09Å; Q300-A310 HydrophobicContact CB-CB 4.09Å; Q300-A500 HydrophobicContact CG-CB 4.43Å | ||
| 301 | N | 73.3 | Confident | 84 | Confident | 86 Ų | 86 | 28.5 Ų | 28.5 | 46% | 0.46 | 16% | 0.159 | S | C | . | . | trans | -85.6 | 132 | 164.2 | -62.7 | -19.7 | 0 | 0 | 0 | 108.9 | S497 | N301-S497 PolarHBondContact ND2-O 2.88Š| ||
| 302 | T | 70.5 | Confident | 84.5 | Confident | 38 Ų | 38 | 28.4 Ų | 28.4 | 23% | 0.233 | 16% | 0.159 | C | C | . | . | trans | -124.4 | 167.6 | 175.3 | 77.6 | 0 | 0 | 0 | 0 | 110.8 | S278 I304 C307 | S278-T302 WeakPolarHBondContact OG-CG2 3.41Å; T302-I304 PolarHBondContact O-N 2.89Å; T302-I304 PolarHBondContact OG1-N 3.46Å; T302-I304 PolarHBondContact OG1-O 2.83Å; T302-C307 WeakPolarHBondContact CG2-O 3.38Å; T302-C307 WeakPolarHBondContact OG1-CB 3.47Å; T302-C307 PolarHBondContact OG1-O 3.4Å | ||
| 303 | S | 70 | Confident | 84.3 | Confident | 60 Ų | 60 | 26.6 Ų | 26.6 | 42% | 0.42 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -67.5 | -21.8 | 171.8 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | Y260 D263 P305 | Y260-S303 WeakPolarHBondContact CE1-OG 3.47Å; D263-S303 VanDerWaalsContact OD2-CB 3.3Å; D263-S303 WeakPolarHBondContact OD2-CB 3.5Å; D263-S303 PolarHBondContact OD2-OG 2.86Å; S303-P305 WeakPolarHBondContact O-CD 3.31Å |
| 304 | I | 73.2 | Confident | 83.9 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -82 | 122.1 | 179.6 | -58.6 | 173.7 | 0 | 0 | 0 | 109 | Y260 F265 V267 L276 T302 N306 C307 | Y260-I304 HydrophobicContact CD1-CD1 3.87Å; Y260-I304 HydrophobicContact CD1-CG1 3.79Å; Y260-I304 HydrophobicContact CD2-CD1 3.74Å; Y260-I304 HydrophobicContact CD2-CG1 3.67Å; Y260-I304 HydrophobicContact CE1-CD1 4.36Å; Y260-I304 HydrophobicContact CE1-CG1 3.75Å; Y260-I304 HydrophobicContact CE2-CD1 4.26Å; Y260-I304 HydrophobicContact CE2-CG1 3.65Å; Y260-I304 HydrophobicContact CG-CD1 3.53Å; Y260-I304 HydrophobicContact CG-CG1 3.75Å; F265-I304 HydrophobicContact CE2-CD1 3.57Å; F265-I304 HydrophobicContact CZ-CD1 3.76Å; F265-I304 HydrophobicContact CZ-CG1 4.26Å; V267-I304 HydrophobicContact CG2-CD1 3.69Å; L276-I304 HydrophobicContact CD1-CG2 4.26Å; T302-I304 PolarHBondContact O-N 2.89Å; T302-I304 PolarHBondContact OG1-N 3.46Å; T302-I304 PolarHBondContact OG1-O 2.83Å; I304-N306 PolarHBondContact O-N 2.97Å; I304-C307 HydrophobicContact CB-CB 3.61Å; I304-C307 HydrophobicContact CG2-CB 3.64Å; I304-C307 WeakPolarHBondContact O-CB 3.49Å; I304-C307 PolarHBondContact O-N 3.29Å; I304-C307 VanDerWaalsContact O-N 3.13Å |
| 305 | P | 67.9 | Low | 83.7 | Confident | 102 Ų | 102 | 32 Ų | 32 | 66% | 0.662 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 135.5 | 175.7 | -27.1 | 35.5 | 0 | 0 | 0 | 112.2 | S303 C307 | S303-P305 WeakPolarHBondContact O-CD 3.31Å; P305-C307 PolarHBondContact O-N 2.89Å |
| 306 | N | 68.8 | Low | 82.9 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -5.4 | -177 | -53.8 | -44.9 | 0 | 0 | 0 | 117 | I304 N308 T486 R489 | I304-N306 PolarHBondContact O-N 2.97Å; N306-N308 PolarHBondContact O-N 3.08Å; N306-N308 PolarHBondContact O-ND2 3.2Å; N306-T486 HydrophobicContact CB-CG2 4.27Å; N306-T486 WeakPolarHBondContact CB-OG1 3.15Å; N306-T486 PolarHBondContact ND2-OG1 3.13Å; N306-R489 PolarHBondContact OD1-N 3.29Å |
| 307 | C | 82.8 | Confident | 81.8 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | trans | -77.5 | 95.6 | 171.7 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | L276 T302 I304 P305 | L276-C307 HydrophobicContact CB-CB 3.95Å; L276-C307 PolarHBondContact O-SG 2.92Å; T302-C307 WeakPolarHBondContact CG2-O 3.38Å; T302-C307 WeakPolarHBondContact OG1-CB 3.47Å; T302-C307 PolarHBondContact OG1-O 3.4Å; I304-C307 HydrophobicContact CB-CB 3.61Å; I304-C307 HydrophobicContact CG2-CB 3.64Å; I304-C307 WeakPolarHBondContact O-CB 3.49Å; I304-C307 PolarHBondContact O-N 3.29Å; I304-C307 VanDerWaalsContact O-N 3.13Å; P305-C307 PolarHBondContact O-N 2.89Å | ||
| 308 | N | 86.1 | Confident | 81.1 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | trans | -108.6 | 3.8 | -166.1 | -87.2 | -63 | 0 | 0 | 0 | 113 | R299 Q300 N306 | R299-N308 WeakPolarHBondContact CD-O 3.32Å; R299-N308 VanDerWaalsContact CZ-OD1 3.31Å; R299-N308 VanDerWaalsContact NH1-CG 3.34Å; R299-N308 PolarHBondContact NH1-O 3.17Å; R299-N308 PolarHBondContact NH1-OD1 3.29Å; R299-N308 PolarHBondContact NH2-OD1 3.5Å; R299-N308 VanDerWaalsContact NH2-OD1 3.07Å; Q300-N308 PolarHBondContact N-O 2.86Å; Q300-N308 CarbonylContact O-C 3.55Å; Q300-N308 WeakPolarHBondContact O-CA 3.09Å; N306-N308 PolarHBondContact O-N 3.08Å; N306-N308 PolarHBondContact O-ND2 3.2Å | ||
| 309 | W | 91.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 150.4 | -173.5 | -65.7 | 96 | 0 | 0 | 0 | 110.5 | F178 F191 I250 F274 I277 S278 I297 V298 R299 | F178-W309 HydrophobicContact CD1-CH2 4.22Å; F178-W309 HydrophobicContact CE1-CH2 4.48Å; F191-W309 HydrophobicContact CB-CZ2 4.23Å; F191-W309 HydrophobicContact CD1-CH2 4.39Å; F191-W309 AromaticContact CD1-CZ2 3.62Å; F191-W309 HydrophobicContact CD1-CZ2 3.62Å; F191-W309 HydrophobicContact CD2-CZ2 4Å; F191-W309 AromaticContact CE1-CZ2 3.88Å; F191-W309 HydrophobicContact CE1-CZ2 3.88Å; F191-W309 HydrophobicContact CE2-CZ2 4.25Å; F191-W309 AromaticContact CE2-NE1 3.9Å; F191-W309 AromaticContact CG-CZ2 3.67Å; F191-W309 HydrophobicContact CG-CZ2 3.67Å; F191-W309 HydrophobicContact CZ-CZ2 4.19Å; F191-W309 AromaticContact CZ-NE1 3.95Å; I250-W309 HydrophobicContact CD1-CH2 3.58Å; I250-W309 HydrophobicContact CD1-CZ2 4.44Å; I250-W309 HydrophobicContact CD1-CZ3 3.87Å; I250-W309 HydrophobicContact CG1-CH2 4.48Å; I250-W309 HydrophobicContact CG1-CZ3 4.35Å; F274-W309 HydrophobicContact CB-CG 4.31Å; F274-W309 HydrophobicContact CD1-CD2 4.14Å; F274-W309 AromaticContact CD1-CE2 3.55Å; F274-W309 HydrophobicContact CD1-CH2 4.29Å; F274-W309 AromaticContact CD1-CZ2 3.66Å; F274-W309 HydrophobicContact CD1-CZ2 3.66Å; F274-W309 AromaticContact CD1-NE1 3.69Å; F274-W309 HydrophobicContact CE1-CH2 4.21Å; F274-W309 AromaticContact CE1-CZ2 3.91Å; F274-W309 HydrophobicContact CE1-CZ2 3.91Å; I277-W309 HydrophobicContact CG1-CB 4.02Å; S278-W309 PolarHBondContact N-O 3.34Å; S278-W309 PolarHBondContact OG-O 2.83Å; S278-W309 VanDerWaalsContact OG-O 3.07Å; I297-W309 HydrophobicContact CB-CE3 4.32Å; I297-W309 HydrophobicContact CD1-CB 4.19Å; I297-W309 HydrophobicContact CD1-CD2 3.84Å; I297-W309 HydrophobicContact CD1-CE3 3.58Å; I297-W309 HydrophobicContact CD1-CG 4.09Å; I297-W309 HydrophobicContact CD1-CZ3 4.26Å; I297-W309 HydrophobicContact CG1-CE3 3.8Å; I297-W309 HydrophobicContact CG1-CZ3 4.29Å; V298-W309 VanDerWaalsContact C-CE3 3.44Å; V298-W309 WeakPolarHBondContact O-CA 3.41Å; R299-W309 HydrophobicContact CB-CE3 4.41Å; R299-W309 HydrophobicContact CB-CH2 4.24Å; R299-W309 HydrophobicContact CB-CZ3 4.06Å |
| 310 | A | 91.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S278 F281 I297 V298 Q300 S312 | S278-A310 CarbonylContact O-C 3.47Å; S278-A310 WeakPolarHBondContact O-CA 3.41Å; S278-A310 WeakPolarHBondContact OG-CB 3.27Å; F281-A310 HydrophobicContact CD2-CB 4.21Å; F281-A310 HydrophobicContact CE2-CB 3.91Å; I297-A310 CarbonylContact C-O 3.16Å; I297-A310 WeakPolarHBondContact CA-O 3.44Å; I297-A310 WeakPolarHBondContact CB-O 3.33Å; V298-A310 HydrophobicContact CG2-CB 4.21Å; V298-A310 PolarHBondContact N-O 2.77Å; V298-A310 PolarHBondContact O-N 3.29Å; Q300-A310 HydrophobicContact CB-CB 4.09Å; A310-S312 PolarHBondContact O-N 2.84Å |
| 311 | I | 92.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 125.1 | 173.1 | -63 | -175.4 | 0 | 0 | 0 | 108.7 | F254 F268 I277 S278 D279 F281 T283 M284 L318 | F254-I311 HydrophobicContact CE2-CD1 3.64Å; F254-I311 HydrophobicContact CE2-CG1 4.3Å; F254-I311 HydrophobicContact CZ-CD1 3.91Å; F254-I311 HydrophobicContact CZ-CG1 4.17Å; F268-I311 HydrophobicContact CD2-CD1 3.61Å; F268-I311 HydrophobicContact CE2-CD1 3.68Å; F268-I311 HydrophobicContact CG-CD1 4.29Å; F268-I311 HydrophobicContact CZ-CD1 4.39Å; I277-I311 HydrophobicContact CG2-CG1 3.79Å; S278-I311 PolarHBondContact O-N 2.89Å; D279-I311 HydrophobicContact CB-CD1 4.18Å; F281-I311 WeakPolarHBondContact CD2-O 3.47Å; T283-I311 HydrophobicContact CG2-CG2 4.06Å; M284-I311 HydrophobicContact CG-CD1 3.53Å; M284-I311 HydrophobicContact SD-CD1 3.81Å; I311-L318 HydrophobicContact CG2-CD1 3.68Å |
| 312 | S | 91 | Very high | 78.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -57.3 | 134.2 | -179.4 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | E249 T283 W296 A310 K314 Q315 | E249-S312 VanDerWaalsContact CD-OG 3.3Å; E249-S312 VanDerWaalsContact OE1-CB 3.23Å; E249-S312 WeakPolarHBondContact OE1-CB 3.39Å; E249-S312 PolarHBondContact OE1-OG 2.93Å; E249-S312 PolarHBondContact OE2-OG 3.24Å; T283-S312 PolarHBondContact OG1-O 3.28Å; W296-S312 WeakPolarHBondContact O-CB 3.32Å; W296-S312 PolarHBondContact O-N 3.04Å; A310-S312 PolarHBondContact O-N 2.84Å; S312-K314 PolarHBondContact O-N 3.02Å; S312-K314 PolarHBondContact OG-N 2.68Å; S312-Q315 PolarHBondContact O-NE2 3.12Å | ||
| 313 | P | 83.4 | Confident | 77.5 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -72.7 | -4.7 | 176 | 30.8 | -36 | 0 | 0 | 0 | 113.8 | F281 P502 | F281-P313 HydrophobicContact CB-CB 3.99Å; F281-P313 HydrophobicContact CD1-CB 4.39Å; F281-P313 HydrophobicContact CD1-CG 4.42Å; F281-P313 HydrophobicContact CD2-CG 4.41Å; F281-P313 HydrophobicContact CG-CB 4.06Å; F281-P313 HydrophobicContact CG-CG 4.25Å; P313-P502 HydrophobicContact CG-CG 4.25Å |
| 314 | K | 82.6 | Confident | 76.6 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 53% | 0.53 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -124.7 | 68.2 | -174.9 | -69.1 | -61.2 | -174.9 | -174.5 | 0 | 111.9 | R242 M244 L245 S312 | R242-K314 PolarHBondContact NH2-O 3.45Å; M244-K314 HydrophobicContact CG-CB 3.9Å; M244-K314 HydrophobicContact SD-CB 4.46Å; L245-K314 HydrophobicContact CD1-CD 4.5Å; L245-K314 HydrophobicContact CD1-CG 3.81Å; S312-K314 PolarHBondContact O-N 3.02Å; S312-K314 PolarHBondContact OG-N 2.68Å |
| 315 | Q | 85.4 | Confident | 75 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -141.3 | 169.2 | 172.6 | 61 | -166.4 | -49.9 | 0 | 0 | 111.6 | T283 G295 W296 S312 L318 | T283-Q315 HydrophobicContact CG2-CG 4.22Å; G295-Q315 VanDerWaalsContact CA-OE1 3.31Å; W296-Q315 PolarHBondContact O-NE2 2.83Å; S312-Q315 PolarHBondContact O-NE2 3.12Å; Q315-L318 HydrophobicContact CG-CD1 4.34Å; Q315-L318 HydrophobicContact CG-CG 4.32Å |
| 316 | D | 77.1 | Confident | 73.5 | Confident | 149 Ų | 149 | 66.5 Ų | 66.5 | 80% | 0.797 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -63.9 | 167.4 | 174.2 | -62.4 | -50.4 | 0 | 0 | 0 | 111.2 | L318 | D316-L318 PolarHBondContact O-N 2.81Š|
| 317 | L | 71.3 | Confident | 72.1 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 56% | 0.56 | 36% | 0.363 | S | S | * | . | trans | -60.2 | 115 | 179.5 | -177.7 | 69.4 | 0 | 0 | 0 | 110.1 | V319 | L317-V319 HydrophobicContact CD2-CG2 4.03Å; L317-V319 HydrophobicContact CG-CG2 4.01Å; L317-V319 PolarHBondContact O-N 3.28Å | ||
| 318 | L | 77.7 | Confident | 69.8 | Low | 18 Ų | 18 | 76.3 Ų | 76.3 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | trans | -74.5 | 112.6 | 176.1 | -66.5 | 176.5 | 0 | 0 | 0 | 109.8 | F254 M284 S294 I311 Q315 D316 | F254-L318 HydrophobicContact CZ-CD1 4.11Å; M284-L318 HydrophobicContact CE-CB 4.18Å; M284-L318 HydrophobicContact SD-CB 3.6Å; M284-L318 VanDerWaalsContact SD-CB 3.6Å; M284-L318 HydrophobicContact SD-CD1 3.41Å; M284-L318 WeakPolarHBondContact SD-CD1 3.38Å; M284-L318 HydrophobicContact SD-CG 4.13Å; S294-L318 WeakPolarHBondContact O-CD2 3.46Å; I311-L318 HydrophobicContact CG2-CD1 3.68Å; Q315-L318 HydrophobicContact CG-CD1 4.34Å; Q315-L318 HydrophobicContact CG-CG 4.32Å; D316-L318 PolarHBondContact O-N 2.81Å | ||
| 319 | V | 73.1 | Confident | 67.5 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 30% | 0.303 | 42% | 0.424 | S | S | . | . | trans | -116.8 | 142.7 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 108 | L317 A321 L323 | L317-V319 HydrophobicContact CD2-CG2 4.03Å; L317-V319 HydrophobicContact CG-CG2 4.01Å; L317-V319 PolarHBondContact O-N 3.28Å; V319-A321 PolarHBondContact O-N 3.35Å; V319-L323 HydrophobicContact CG1-CB 3.93Å; V319-L323 HydrophobicContact CG1-CD1 4.03Å | ||
| 320 | P | 73.4 | Confident | 64.8 | Low | 8 Ų | 8 | 95.8 Ų | 95.8 | 5% | 0.052 | 47% | 0.465 | C | S | . | . | trans | -52.1 | 131.6 | 173.2 | -26.5 | 32.4 | 0 | 0 | 0 | 112.1 | D288 Q292 Y293 N322 L323 | D288-P320 HydrophobicContact CB-CG 3.83Å; Q292-P320 CarbonylContact O-C 3.56Å; Q292-P320 WeakPolarHBondContact O-CA 3.41Å; Y293-P320 HydrophobicContact CD1-CG 4.42Å; Y293-P320 HydrophobicContact CE1-CB 4.36Å; Y293-P320 HydrophobicContact CE1-CG 3.6Å; P320-N322 PolarHBondContact O-N 3.14Å; P320-L323 HydrophobicContact CB-CD1 4.32Å; P320-L323 HydrophobicContact CG-CD1 4.11Å; P320-L323 WeakPolarHBondContact O-CB 3.47Å; P320-L323 PolarHBondContact O-N 3.4Å | ||
| 321 | A | 67.5 | Low | 62 | Low | 44 Ų | 44 | 104.9 Ų | 104.9 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -54.5 | -29.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q292 V319 L323 H324 | Q292-A321 PolarHBondContact O-N 3.18Å; V319-A321 PolarHBondContact O-N 3.35Å; A321-L323 PolarHBondContact O-N 2.87Å; A321-H324 PolarHBondContact O-N 3.1Å; A321-H324 VanDerWaalsContact O-N 3.08Å |
| 322 | N | 62.6 | Low | 59.2 | Low | 102 Ų | 102 | 112.4 Ų | 112.4 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -59.5 | -24.2 | 175.4 | -61.9 | -27.6 | 0 | 0 | 0 | 114.1 | N290 P320 | N290-N322 PolarHBondContact O-ND2 3.2Å; P320-N322 PolarHBondContact O-N 3.14Å |
| 323 | L | 58.8 | Low | 56.2 | Low | 122 Ų | 122 | 123.9 Ų | 123.9 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -91.6 | -9.7 | 177.9 | -72.5 | 165.6 | 0 | 0 | 0 | 113.4 | V319 P320 A321 R325 | V319-L323 HydrophobicContact CG1-CB 3.93Å; V319-L323 HydrophobicContact CG1-CD1 4.03Å; P320-L323 HydrophobicContact CB-CD1 4.32Å; P320-L323 HydrophobicContact CG-CD1 4.11Å; P320-L323 WeakPolarHBondContact O-CB 3.47Å; P320-L323 PolarHBondContact O-N 3.4Å; A321-L323 PolarHBondContact O-N 2.87Å; L323-R325 PolarHBondContact O-N 3.49Å; L323-R325 VanDerWaalsContact O-N 3.17Å |
| 324 | H | 50.9 | Low | 53.8 | Low | 144 Ų | 144 | 127 Ų | 127 | 67% | 0.667 | 61% | 0.614 | S | S | * | * | trans | -79 | 16.2 | 174.7 | -83.3 | -71.2 | 0 | 0 | 0 | 114.1 | A321 E326 | A321-H324 PolarHBondContact O-N 3.1Å; A321-H324 VanDerWaalsContact O-N 3.08Å; H324-E326 PolarHBondContact O-N 3.11Å | ||
| 325 | R | 38.7 | Very low | 51.3 | Low | 230 Ų | 230 | 126.1 Ų | 126.1 | 87% | 0.868 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -74.9 | 118.7 | 174.2 | -148.4 | 175.2 | -166.5 | 172.5 | 5.5 | 109.4 | L323 | L323-R325 PolarHBondContact O-N 3.49Å; L323-R325 VanDerWaalsContact O-N 3.17Å |
| 326 | E | 36.6 | Very low | 48.6 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | trans | -34.3 | 138.9 | -163.3 | -68.4 | -163.7 | 168.2 | 0 | 0 | 118.4 | H324 N328 | H324-E326 PolarHBondContact O-N 3.11Å; E326-N328 PolarHBondContact O-N 3.37Å; E326-N328 VanDerWaalsContact O-N 3.14Å; E326-N328 PolarHBondContact OE2-ND2 2.98Å | ||
| 327 | P | 38.8 | Very low | 46.8 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 88% | 0.877 | 65% | 0.653 | S | S | * | * | trans | -76.3 | 97.2 | 163.2 | 32.8 | -31.5 | 0 | 0 | 0 | 110.1 | ||||
| 328 | N | 35 | Very low | 44.8 | Very low | 116 Ų | 116 | 131 Ų | 131 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | trans | -136.8 | 111.2 | 176.5 | -117.3 | -43.8 | 0 | 0 | 0 | 113 | E326 | E326-N328 PolarHBondContact O-N 3.37Å; E326-N328 VanDerWaalsContact O-N 3.14Å; E326-N328 PolarHBondContact OE2-ND2 2.98Å | ||
| 329 | R | 38.2 | Very low | 42.4 | Very low | 217 Ų | 217 | 135.9 Ų | 135.9 | 82% | 0.819 | 70% | 0.701 | S | S | * | * | trans | 70.7 | 126.6 | -179.3 | -51 | 173 | 178.7 | -179.2 | -1.4 | 113.5 | ||||
| 330 | Y | 35.1 | Very low | 40.3 | Very low | 218 Ų | 218 | 139.7 Ų | 139.7 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | cis | -127 | 150.6 | 19.6 | -60 | -103.5 | 0 | 0 | 0 | 108.2 | ||||
| 331 | E | 32.9 | Very low | 38.1 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | -147.7 | 143.6 | 63.1 | -71.3 | -175.4 | 131.2 | 0 | 0 | 114 | |||||
| 332 | N | 32 | Very low | 36.3 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -84.6 | 119.1 | 157.4 | -94.6 | -41.7 | 0 | 0 | 0 | 109 | ||||
| 333 | R | 29.6 | Very low | 34.7 | Very low | 240 Ų | 240 | 149.6 Ų | 149.6 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | -172.3 | 123.1 | 128 | -104.4 | 162.2 | -172.5 | -140.4 | 0.3 | 114.7 | |||||
| 334 | S | 32.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | 67.8 | 86.6 | 138.6 | -52.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 335 | A | 29.7 | Very low | 32.6 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | -161.5 | 120.7 | 118.4 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 336 | S | 29.4 | Very low | 32 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -83.9 | 150 | 156.7 | -142.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 337 | P | 39.5 | Very low | 31.6 | Very low | 106 Ų | 106 | 144 Ų | 144 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | -150.1 | 149.4 | 84.3 | 37 | -18.6 | 0 | 0 | 0 | 117.6 | |||||
| 338 | H | 28 | Very low | 31.1 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 74.4 | 109.7 | 136.1 | -71 | 25.8 | 0 | 0 | 0 | 120 | ||||
| 339 | S | 28.8 | Very low | 30.9 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -71.1 | 138 | 156.7 | -39.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 340 | T | 28.5 | Very low | 30.5 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -147.8 | 99.9 | 153.7 | 14 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 341 | S | 27.2 | Very low | 30.1 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | 80.1 | 77.6 | 98.4 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 342 | G | 28.6 | Very low | 29.9 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -102.9 | 92.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 343 | Q | 29.5 | Very low | 29.8 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -91.3 | 138.6 | 163.3 | -70.7 | 179.3 | -7.1 | 0 | 0 | 108.7 | ||||
| 344 | F | 30.2 | Very low | 30.5 | Very low | 205 Ų | 205 | 132.8 Ų | 132.8 | 90% | 0.899 | 79% | 0.789 | S | S | * | * | trans | -176.9 | 161 | 137.5 | -90.5 | -49.6 | 0 | 0 | 0 | 109.7 | ||||
| 345 | P | 36.6 | Very low | 30.3 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -98.2 | 161.8 | -145.8 | 1.7 | 22.3 | 0 | 0 | 0 | 113.1 | ||||
| 346 | G | 25.8 | Very low | 30.3 | Very low | 65 Ų | 65 | 139.7 Ų | 139.7 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | 77.4 | 122.2 | 74.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 347 | T | 28.1 | Very low | 31.5 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | cis | -170.5 | 163.7 | 46.8 | 44.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 348 | S | 27.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 73 | 140.3 | 154.4 | -107.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 349 | T | 31 | Very low | 32 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | cis | -160.7 | 134.5 | -1.2 | -20.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 350 | R | 29.1 | Very low | 32 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | -180 | 134.2 | 76.6 | -85.5 | -179.4 | 173.7 | -167.1 | -3.5 | 106.7 | |||||
| 351 | R | 27.8 | Very low | 32 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | 42.3 | 130.5 | 99 | -70.8 | -170.7 | 178.7 | -156.4 | 0.7 | 115.7 | |||||
| 352 | S | 28.9 | Very low | 32 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | cis | -174 | 142.6 | -12.7 | 37.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 353 | D | 28.9 | Very low | 32.1 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -46 | 171 | 162.3 | -91.7 | -51 | 0 | 0 | 0 | 115.3 | ||||
| 354 | P | 44.7 | Very low | 32 | Very low | 94 Ų | 94 | 147 Ų | 147 | 61% | 0.61 | 78% | 0.781 | S | S | * | * | cis | -144 | 164.5 | 27.8 | 34.3 | -11.7 | 0 | 0 | 0 | 119 | ||||
| 355 | Y | 29.2 | Very low | 31.9 | Very low | 220 Ų | 220 | 141.6 Ų | 141.6 | 86% | 0.863 | 77% | 0.769 | S | S | * | * | 173.1 | 135.1 | 109.1 | -101.1 | -75.1 | 0 | 0 | 0 | 113.2 | |||||
| 356 | D | 29.9 | Very low | 31.6 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -152.7 | 167.6 | 174.1 | -157.1 | 23.1 | 0 | 0 | 0 | 104.7 | ||||
| 357 | P | 53 | Low | 31.8 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -128.8 | -146.5 | -3.3 | 35.1 | -8.7 | 0 | 0 | 0 | 109.5 | ||||
| 358 | P | 47.4 | Very low | 31.7 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | cis | -145.5 | 155.8 | 1.9 | 42 | -20.8 | 0 | 0 | 0 | 121.2 | ||||
| 359 | R | 30.3 | Very low | 31.7 | Very low | 242 Ų | 242 | 151.8 Ų | 151.8 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | 43.9 | 153 | 134.1 | -64.7 | -177.2 | 169.4 | -176.1 | -3.1 | 122.8 | ||||
| 360 | S | 29.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 94.4 | 133.7 | 163.2 | -152.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 361 | R | 29.5 | Very low | 31.6 | Very low | 235 Ų | 235 | 150.2 Ų | 150.2 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | cis | -158.5 | 164.3 | 8.4 | -137.2 | 167.7 | -164 | 169.1 | 1.6 | 111.2 | ||||
| 362 | N | 27.7 | Very low | 31.7 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -53.8 | 150.4 | 167.4 | -55.3 | -7.2 | 0 | 0 | 0 | 112.7 | ||||
| 363 | S | 29.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | -177.3 | 159 | 107.9 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 364 | S | 28 | Very low | 31.7 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -86.9 | 175.8 | -173.4 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 365 | S | 27.8 | Very low | 31.1 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | 72.6 | 114.3 | 144.4 | 52.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 366 | I | 30.7 | Very low | 31.3 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | 50.6 | 110.4 | 123.9 | -52.5 | 160.7 | 0 | 0 | 0 | 117.1 | |||||
| 367 | S | 28.9 | Very low | 31.5 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | 173.3 | 133.3 | 110.1 | 48 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 368 | N | 25.8 | Very low | 30.5 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 44.1 | 116.4 | 132 | -66.7 | -22.6 | 0 | 0 | 0 | 122.6 | ||||
| 369 | R | 28.3 | Very low | 29.6 | Very low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | 95.2 | 126.4 | 107 | -171 | -178 | -162.7 | -170 | 7.7 | 119.5 | |||||
| 370 | A | 28.1 | Very low | 29.7 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 72.3 | 152.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 371 | R | 29.9 | Very low | 29.9 | Very low | 229 Ų | 229 | 142.5 Ų | 142.5 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | cis | -166.6 | 176.4 | -5.7 | -121.2 | 174.9 | 175.3 | -175 | -4.7 | 110.2 | ||||
| 372 | S | 29 | Very low | 29.8 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 88.5 | 143.9 | 145.3 | 71.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 373 | N | 29.3 | Very low | 29.8 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | cis | -156.3 | 165 | -14.5 | -95.9 | -4.4 | 0 | 0 | 0 | 106.4 | ||||
| 374 | V | 29.7 | Very low | 30.3 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | 173.1 | 111.8 | 87.1 | 158.6 | 0 | 0 | 0 | 0 | 104.3 | |||||
| 375 | V | 32.4 | Very low | 30.4 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 60% | 0.6 | 75% | 0.746 | S | S | * | * | 80.2 | 98.3 | 88 | 160.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 376 | E | 32.8 | Very low | 31 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | 102.9 | 153.3 | 99 | -77.9 | 165.2 | -161.4 | 0 | 0 | 109.8 | |||||
| 377 | E | 33.3 | Very low | 30.8 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | cis | -139 | 143.8 | 23.8 | -66.9 | 168.1 | 144.3 | 0 | 0 | 112.8 | ||||
| 378 | D | 31.8 | Very low | 30.7 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | 55 | 149.5 | 129.6 | -49 | -15.4 | 0 | 0 | 0 | 122.8 | |||||
| 379 | D | 29.9 | Very low | 30.7 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | cis | -148.1 | 131.8 | 6.9 | -118.8 | -19.3 | 0 | 0 | 0 | 107.9 | ||||
| 380 | E | 32.9 | Very low | 30.7 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | 59.9 | 137.5 | 91.3 | -64.4 | -123.5 | 121.9 | 0 | 0 | 116.2 | |||||
| 381 | L | 32.3 | Very low | 31.3 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | cis | -163.3 | 151.2 | -0.3 | -109 | 175.7 | 0 | 0 | 0 | 114.9 | ||||
| 382 | R | 28.4 | Very low | 31.2 | Very low | 216 Ų | 216 | 135.4 Ų | 135.4 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | trans | 12.5 | 128.4 | 149 | -71.8 | 178.4 | -172.7 | 164.7 | 0.1 | 125.8 | ||||
| 383 | S | 27.1 | Very low | 31.4 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | 65.5 | -175.9 | 112.2 | -39.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 384 | P | 40.4 | Very low | 31.3 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | -125.4 | 175.4 | -104.2 | 36.4 | -16 | 0 | 0 | 0 | 118 | |||||
| 385 | T | 30.6 | Very low | 31.3 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -12 | 147.9 | 165.2 | 47 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 386 | P | 38.5 | Very low | 31.3 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | -159 | -179.9 | 56.3 | 44.4 | -23.1 | 0 | 0 | 0 | 120.9 | |||||
| 387 | L | 26.9 | Very low | 31.3 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 78.2 | 130.8 | 148.4 | -81.3 | 161.6 | 0 | 0 | 0 | 123.9 | ||||
| 388 | S | 28 | Very low | 31.1 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 91.3 | 107.5 | 137.4 | -68 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 389 | R | 26 | Very low | 31 | Very low | 252 Ų | 252 | 135.4 Ų | 135.4 | 95% | 0.951 | 77% | 0.765 | S | S | * | * | 85.7 | 138 | 125.2 | -142.2 | 169.8 | -170.2 | 170.6 | 1.8 | 120.7 | |||||
| 390 | A | 26.8 | Very low | 30.7 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -73.4 | -173.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 391 | P | 42.3 | Very low | 30.5 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | cis | -134.3 | -163 | 29.8 | 31 | -3.2 | 0 | 0 | 0 | 113 | ||||
| 392 | T | 27.6 | Very low | 31.1 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 63% | 0.632 | 78% | 0.78 | S | S | * | * | cis | -154.3 | 161 | 25.6 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 393 | T | 31.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | -172.7 | 139.5 | 118.8 | 35 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 394 | D | 28.9 | Very low | 31.1 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -108.6 | -170 | -162.4 | -57.4 | -71.7 | 0 | 0 | 0 | 114.6 | ||||
| 395 | D | 29 | Very low | 30.4 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 83.4 | 103.1 | 170.8 | -53.6 | -18.4 | 0 | 0 | 0 | 116.5 | ||||
| 396 | D | 31.3 | Very low | 30.2 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | 85.1 | 139.8 | 59.9 | -80.9 | -11 | 0 | 0 | 0 | 113.4 | |||||
| 397 | S | 33 | Very low | 29.6 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -153.3 | 161.3 | 9.8 | -14.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 398 | D | 30.2 | Very low | 29.6 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | 41.2 | 152.1 | 139.7 | -95.9 | -18.6 | 0 | 0 | 0 | 123.7 | ||||
| 399 | A | 29.3 | Very low | 29.8 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | cis | -162.1 | 161.8 | -2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 400 | G | 24.2 | Very low | 29.8 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 129.8 | 123.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 401 | S | 27.1 | Very low | 29.8 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -138.5 | 179.3 | 165.4 | -60.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 402 | P | 45.1 | Very low | 29.2 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -137.6 | -149 | 5.9 | 36.2 | -11.3 | 0 | 0 | 0 | 113.8 | ||||
| 403 | E | 29.5 | Very low | 29.4 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 81.3 | 146.3 | 168.3 | -66.4 | -178.2 | -164.4 | 0 | 0 | 118.4 | ||||
| 404 | E | 26.6 | Very low | 29.4 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 65% | 0.654 | 80% | 0.799 | S | S | * | * | cis | -167.5 | 170.5 | -27 | -153.2 | -161 | 167.7 | 0 | 0 | 109.1 | ||||
| 405 | K | 26.6 | Very low | 29.6 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | trans | 84.8 | 132.7 | 154.7 | -69.5 | -175.5 | 174.5 | 82.4 | 0 | 123.9 | ||||
| 406 | T | 25.8 | Very low | 29.6 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 75.9 | 102.3 | 141.7 | 49.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 407 | H | 26.5 | Very low | 29.5 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | 49.2 | 138.8 | 113.9 | -111.2 | -77.5 | 0 | 0 | 0 | 123.6 | |||||
| 408 | M | 25.8 | Very low | 29.4 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 103.9 | 140.2 | 152 | -68.4 | -160.8 | 173.5 | 0 | 0 | 121.5 | ||||
| 409 | E | 31.7 | Very low | 29.1 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -22.8 | 127.4 | 177.5 | -57.3 | -179.4 | 142 | 0 | 0 | 118.5 | ||||
| 410 | R | 26.2 | Very low | 29.1 | Very low | 251 Ų | 251 | 140.7 Ų | 140.7 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | trans | -96.8 | 102.4 | 164.2 | -71.6 | -175.5 | 175.8 | -173 | -1.3 | 110.9 | ||||
| 411 | K | 28.1 | Very low | 29.2 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -85.8 | 129.6 | 148.6 | -80.7 | 178.9 | 176 | 171.7 | 0 | 108 | ||||
| 412 | S | 29.1 | Very low | 29.3 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -92.4 | 126.7 | -177.6 | -159.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 413 | P | 32.3 | Very low | 28.5 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -104.1 | 146.3 | 164.7 | 35.6 | -27.4 | 0 | 0 | 0 | 111.8 | ||||
| 414 | D | 30.8 | Very low | 28.3 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | -71.5 | 150.1 | -177.3 | -71.2 | -53 | 0 | 0 | 0 | 115.2 | ||||
| 415 | D | 34.2 | Very low | 28.4 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -60.8 | 165.8 | 173.3 | -77.6 | -31 | 0 | 0 | 0 | 114.6 | ||||
| 416 | V | 29.2 | Very low | 28.5 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | cis | -160.5 | 149.3 | -10 | 129.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 417 | A | 27.6 | Very low | 28.7 | Very low | 60 Ų | 60 | 146.5 Ų | 146.5 | 50% | 0.496 | 79% | 0.786 | S | S | . | * | trans | -159.1 | 140 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 418 | P | 32.1 | Very low | 28.8 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -82.2 | 154 | -178.4 | 34.7 | -35.4 | 0 | 0 | 0 | 112.2 | ||||
| 419 | G | 24.4 | Very low | 29 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -125.6 | -177 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 420 | N | 28.6 | Very low | 28.7 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -165.4 | 132.9 | 143.9 | -120.1 | -30.7 | 0 | 0 | 0 | 114.2 | ||||
| 421 | R | 26.1 | Very low | 28.7 | Very low | 201 Ų | 201 | 127.8 Ų | 127.8 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | 56.5 | 121.6 | 143.5 | -73.6 | 166.7 | -179.8 | -160.8 | -2.3 | 123.2 | ||||
| 422 | R | 28.7 | Very low | 28.7 | Very low | 215 Ų | 215 | 126 Ų | 126 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | 70.6 | 122.2 | 135.2 | -69.8 | -176.6 | 177.9 | 179.9 | -2 | 117.7 | ||||
| 423 | N | 28 | Very low | 28.8 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | -161.1 | 167.4 | 60.6 | -101 | -21.8 | 0 | 0 | 0 | 114.3 | |||||
| 424 | N | 26.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -63.4 | 169.9 | 169.8 | -64 | -8.4 | 0 | 0 | 0 | 112 | ||||
| 425 | S | 28.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | cis | -171.5 | 157 | 41.4 | -41.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 426 | S | 29.3 | Very low | 28.3 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 53 | 153.6 | 141.9 | 56.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 427 | S | 29.3 | Very low | 28.1 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | cis | 179.3 | 165.4 | 7.5 | 33.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 428 | S | 28.5 | Very low | 28.1 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | cis | -178.5 | 155.8 | -14.8 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 429 | A | 29.1 | Very low | 28.1 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 67.9 | 154.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 430 | G | 25.2 | Very low | 28.3 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | cis | 144.1 | 146.4 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 431 | G | 26.7 | Very low | 28.2 | Very low | 83 Ų | 83 | 138 Ų | 138 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 152 | 142.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 432 | D | 28.6 | Very low | 28.2 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -121.2 | 164.8 | -160.2 | -113.1 | -41.8 | 0 | 0 | 0 | 115.2 | ||||
| 433 | S | 31.3 | Very low | 28.2 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 79.2 | 118.3 | 141.4 | 71.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 434 | H | 28.5 | Very low | 28.3 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | 63.6 | 132.6 | 122.6 | -80.8 | -61.3 | 0 | 0 | 0 | 127.5 | |||||
| 435 | L | 30.3 | Very low | 28.5 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 97.5 | 122.1 | 130.4 | -79.1 | 166.7 | 0 | 0 | 0 | 124.3 | ||||
| 436 | R | 28 | Very low | 28.7 | Very low | 244 Ų | 244 | 126.7 Ų | 126.7 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | 62.1 | 141.2 | 138.4 | -91.7 | -175.4 | 172.3 | -146.1 | -2.4 | 123.7 | ||||
| 437 | G | 25 | Very low | 28.8 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -168.7 | 154.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 438 | T | 28.1 | Very low | 28.9 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -147.9 | -178.3 | -171.9 | 41.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 439 | V | 32.1 | Very low | 29.1 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | cis | -158.5 | 150.5 | 22.5 | -135.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 440 | E | 28.2 | Very low | 29.2 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | 58.9 | 170.3 | 139 | -86 | 165.5 | -153.4 | 0 | 0 | 125.7 | ||||
| 441 | F | 25.7 | Very low | 29.5 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | 85.6 | 131.7 | 173.5 | -72.1 | -83 | 0 | 0 | 0 | 117.7 | ||||
| 442 | S | 27.7 | Very low | 29.7 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | cis | -148.8 | 172.4 | 7.4 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 443 | S | 28.5 | Very low | 29.8 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | -61.3 | -177.1 | 162.2 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 444 | S | 30.4 | Very low | 29.8 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | cis | -179.9 | 160.1 | 23.9 | 17.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 445 | D | 30.2 | Very low | 29.9 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | cis | -161.7 | -148.5 | -13.5 | -79.7 | -29.3 | 0 | 0 | 0 | 106.7 | ||||
| 446 | D | 32 | Very low | 29.8 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | 68 | 144.1 | 167.4 | -60.2 | -5.9 | 0 | 0 | 0 | 119.4 | ||||
| 447 | D | 30.9 | Very low | 29.8 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | cis | -156.9 | 150.2 | -19.5 | -134.9 | -28.3 | 0 | 0 | 0 | 113 | ||||
| 448 | S | 32.7 | Very low | 30 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 57% | 0.566 | 73% | 0.73 | S | S | * | * | trans | 12.3 | 150.4 | 153.6 | 37.3 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 449 | D | 31.7 | Very low | 29.9 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | trans | 64.5 | 153.8 | 141 | -56.3 | -5 | 0 | 0 | 0 | 120.4 | ||||
| 450 | D | 31.1 | Very low | 29.7 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -158.6 | 132 | -5.4 | -118.6 | -16.8 | 0 | 0 | 0 | 106.3 | ||||
| 451 | S | 32.3 | Very low | 29.6 | Very low | 86 Ų | 86 | 127 Ų | 127 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | 98.5 | 150.9 | 89 | 87.2 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 452 | D | 31.3 | Very low | 29.7 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | trans | 74.7 | 106.5 | 150.7 | -57.1 | -10.7 | 0 | 0 | 0 | 124 | ||||
| 453 | D | 29.4 | Very low | 29.8 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | 93.4 | 111.8 | 112.3 | -80.6 | -6.5 | 0 | 0 | 0 | 124.7 | |||||
| 454 | S | 31.6 | Very low | 30 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | 96.8 | 118.7 | 115.9 | 74.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 455 | D | 29.9 | Very low | 29.8 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | 44 | 121.6 | 126.6 | -54.2 | -14.6 | 0 | 0 | 0 | 121.4 | |||||
| 456 | N | 28.2 | Very low | 29.6 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | -172.2 | 152.1 | 92.4 | -102.5 | -74.9 | 0 | 0 | 0 | 114.6 | |||||
| 457 | E | 29.2 | Very low | 29.4 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | -74.6 | 161.8 | 165.1 | -57.1 | -172.3 | 130.9 | 0 | 0 | 111.8 | ||||
| 458 | A | 28 | Very low | 29.2 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | 171.6 | 109.1 | 113.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 459 | S | 28.1 | Very low | 29 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | 70.6 | 129.4 | 126.2 | 77.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 460 | N | 27 | Very low | 28.7 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 65.1 | 149.1 | 136 | -59.1 | -21 | 0 | 0 | 0 | 119.1 | ||||
| 461 | N | 26.2 | Very low | 28.6 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | -165 | 149.4 | 15.6 | -145.1 | -12.1 | 0 | 0 | 0 | 110.3 | ||||
| 462 | S | 27.7 | Very low | 28.4 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -154.8 | 133.4 | 154.1 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 463 | N | 30 | Very low | 28.3 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -93.3 | 158.3 | -167.2 | -105.1 | -33.5 | 0 | 0 | 0 | 114.2 | ||||
| 464 | K | 31.3 | Very low | 28.4 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -75.4 | 147 | 171.3 | -64.6 | 172.7 | 176.3 | 174.1 | 0 | 112.5 | ||||
| 465 | L | 26.4 | Very low | 28.7 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -171.7 | 108 | 130.6 | -121.6 | 78.3 | 0 | 0 | 0 | 108.2 | ||||
| 466 | S | 26.1 | Very low | 29.1 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | 78.7 | 94.5 | 92.2 | -151.8 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 467 | S | 29.2 | Very low | 29.8 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | trans | 47.9 | 113.1 | 133.2 | 64.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 468 | Y | 26.8 | Very low | 30.9 | Very low | 232 Ų | 232 | 141.9 Ų | 141.9 | 91% | 0.91 | 77% | 0.767 | S | S | * | * | -140.9 | 115.4 | 126.9 | -97.3 | -77.3 | 0 | 0 | 0 | 109.8 | |||||
| 469 | S | 27.2 | Very low | 32 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -111.1 | 115.5 | -177.9 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 470 | W | 25.8 | Very low | 33.5 | Very low | 233 Ų | 233 | 139.6 Ų | 139.6 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | -95.7 | 138.5 | 157.6 | -74.5 | 90.5 | 0 | 0 | 0 | 108.7 | M472 | W470-M472 PolarHBondContact O-N 3.01Š| ||
| 471 | P | 29.3 | Very low | 35.1 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -72 | 113.1 | -178.2 | 28.8 | -32.9 | 0 | 0 | 0 | 109.9 | ||||
| 472 | M | 28.2 | Very low | 36.6 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60 | 135.2 | 160.8 | -82.5 | -73.2 | 170.8 | 0 | 0 | 108.6 | W470 | W470-M472 PolarHBondContact O-N 3.01Š|
| 473 | P | 28 | Very low | 37.5 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 66% | 0.662 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 151 | 171.3 | 27.7 | -33.7 | 0 | 0 | 0 | 109.5 | I475 | P473-I475 PolarHBondContact O-N 3.01Š|
| 474 | P | 32.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 74% | 0.74 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 140.8 | -175.3 | 24.7 | -34.2 | 0 | 0 | 0 | 110.6 | L476 | P474-L476 VanDerWaalsContact C-N 3.28Å; P474-L476 PolarHBondContact O-N 2.93Å |
| 475 | I | 38 | Very low | 38.6 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 84% | 0.841 | 67% | 0.672 | S | S | * | * | trans | -63.3 | 93.2 | 172.6 | -60.1 | 172.2 | 0 | 0 | 0 | 107.4 | P473 Q477 | P473-I475 PolarHBondContact O-N 3.01Å; I475-Q477 PolarHBondContact O-N 3.1Å | ||
| 476 | L | 38.5 | Very low | 39.3 | Very low | 136 Ų | 136 | 115.4 Ų | 115.4 | 71% | 0.712 | 64% | 0.636 | S | S | * | * | trans | -60.3 | 109.3 | 167 | -76.5 | 170.3 | 0 | 0 | 0 | 106.8 | P474 R478 | P474-L476 VanDerWaalsContact C-N 3.28Å; P474-L476 PolarHBondContact O-N 2.93Å; L476-R478 PolarHBondContact O-N 3.12Å; L476-R478 VanDerWaalsContact O-N 3.12Å | ||
| 477 | Q | 42.8 | Very low | 39.9 | Very low | 177 Ų | 177 | 116 Ų | 116 | 83% | 0.827 | 64% | 0.638 | S | S | * | * | trans | -42.7 | 122.4 | 178.1 | -72 | 173.3 | -26.2 | 0 | 0 | 109.3 | I475 | I475-Q477 PolarHBondContact O-N 3.1Š| ||
| 478 | R | 51.8 | Low | 40.3 | Very low | 116 Ų | 116 | 116 Ų | 116 | 44% | 0.438 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 129.8 | 172.3 | -65.2 | -175.3 | -179.9 | -167.6 | -1.1 | 106 | F259 L476 A480 | F259-R478 HydrophobicContact CB-CB 3.94Å; F259-R478 VanDerWaalsContact CE1-NH1 3.35Å; L476-R478 PolarHBondContact O-N 3.12Å; L476-R478 VanDerWaalsContact O-N 3.12Å; R478-A480 PolarHBondContact O-N 2.94Å |
| 479 | P | 52 | Low | 41.3 | Very low | 54 Ų | 54 | 107 Ų | 107 | 35% | 0.351 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -57 | 126.2 | 173.1 | -23.2 | 33.6 | 0 | 0 | 0 | 109 | F259 | F259-P479 PolarHBondContact N-O 3.28Š|
| 480 | A | 59.9 | Low | 41.9 | Very low | 81 Ų | 81 | 107 Ų | 107 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | B | Isolated β-bridge | trans | -60.7 | 147.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109 | R478 S482 | R478-A480 PolarHBondContact O-N 2.94Å; A480-S482 PolarHBondContact O-N 3.48Å |
| 481 | V | 60.5 | Low | 42.3 | Very low | 41 Ų | 41 | 99 Ų | 99 | 25% | 0.248 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -50.5 | 121.8 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | D257 V267 L276 G483 | D257-V481 WeakPolarHBondContact OD2-CG1 3.33Å; V267-V481 HydrophobicContact CB-CG2 4.04Å; V267-V481 HydrophobicContact CG1-CG1 4.14Å; V267-V481 HydrophobicContact CG1-CG2 4.45Å; V267-V481 HydrophobicContact CG2-CG2 3.8Å; L276-V481 HydrophobicContact CD1-CG1 4.09Å; V481-G483 VanDerWaalsContact C-N 3.34Å |
| 482 | S | 57.1 | Low | 42.4 | Very low | 81 Ų | 81 | 105.4 Ų | 105.4 | 57% | 0.566 | 59% | 0.592 | S | S | * | * | trans | -86.5 | -9.1 | -172.6 | 72.1 | 0 | 0 | 0 | 0 | 113.1 | D257 R269 A480 L484 | D257-S482 PolarHBondContact OD1-OG 2.67Å; D257-S482 PolarHBondContact OD2-N 2.84Å; D257-S482 PolarHBondContact OD2-OG 3.26Å; D257-S482 VanDerWaalsContact OD2-OG 3.12Å; R269-S482 PolarHBondContact NH2-OG 3.14Å; A480-S482 PolarHBondContact O-N 3.48Å; S482-L484 PolarHBondContact O-N 2.53Å | ||
| 483 | G | 46.9 | Very low | 43 | Very low | 9 Ų | 9 | 105.6 Ų | 105.6 | 9% | 0.093 | 59% | 0.593 | C | S | . | * | trans | -88.9 | 76.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | V481 | V481-G483 VanDerWaalsContact C-N 3.34Š| ||
| 484 | L | 43.5 | Very low | 43.1 | Very low | 178 Ų | 178 | 105.8 Ų | 105.8 | 93% | 0.932 | 59% | 0.589 | S | S | * | * | trans | -85.9 | 7.4 | 153.9 | -77.2 | 170.1 | 0 | 0 | 0 | 112.8 | S482 | S482-L484 PolarHBondContact O-N 2.53Š| ||
| 485 | S | 40.6 | Very low | 43.1 | Very low | 84 Ų | 84 | 105 Ų | 105 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | trans | -98.7 | 27 | -174.5 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | R269 | R269-S485 PolarHBondContact NH1-OG 2.56Š| ||
| 486 | T | 41.9 | Very low | 42.9 | Very low | 25 Ų | 25 | 103.6 Ų | 103.6 | 15% | 0.153 | 59% | 0.586 | C | S | . | * | S | Bend | trans | -86.1 | 136.6 | 163.4 | 41.6 | 0 | 0 | 0 | 0 | 109.6 | L276 N306 S488 | L276-T486 HydrophobicContact CG-CG2 4.29Å; N306-T486 HydrophobicContact CB-CG2 4.27Å; N306-T486 WeakPolarHBondContact CB-OG1 3.15Å; N306-T486 PolarHBondContact ND2-OG1 3.13Å; T486-S488 PolarHBondContact O-N 3.49Å |
| 487 | P | 36.8 | Very low | 42.9 | Very low | 114 Ų | 114 | 97.6 Ų | 97.6 | 74% | 0.74 | 56% | 0.555 | S | S | * | * | trans | -56.3 | 136.3 | 170.8 | -23.7 | 33.9 | 0 | 0 | 0 | 110.8 | R489 | P487-R489 PolarHBondContact O-N 2.96Å; P487-R489 VanDerWaalsContact O-N 3.08Å | ||
| 488 | S | 39.4 | Very low | 43.1 | Very low | 91 Ų | 91 | 92.8 Ų | 92.8 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | trans | -60.4 | 110.8 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | T486 | T486-S488 PolarHBondContact O-N 3.49Š| ||
| 489 | R | 46.8 | Very low | 43.2 | Very low | 43 Ų | 43 | 88.6 Ų | 88.6 | 16% | 0.162 | 52% | 0.522 | C | S | . | . | trans | -87.2 | 125.8 | 169.2 | -73.9 | -173.8 | 84.5 | 95.8 | -7.7 | 108.8 | S192 L195 D196 K197 D198 N306 P487 G491 | S192-R489 PolarHBondContact O-NH1 2.83Å; S192-R489 VanDerWaalsContact O-NH1 3.09Å; L195-R489 PolarHBondContact O-NH1 3.44Å; D196-R489 WeakPolarHBondContact O-CA 3.46Å; D196-R489 WeakPolarHBondContact O-CB 3.3Å; D196-R489 VanDerWaalsContact O-CG 3.25Å; D196-R489 WeakPolarHBondContact O-CG 3.46Å; D196-R489 PolarHBondContact O-NE 2.78Å; K197-R489 PolarHBondContact O-NH2 2.9Å; K197-R489 VanDerWaalsContact O-NH2 3.08Å; D198-R489 IonicContact OD1-CZ 2.73Å; D198-R489 IonicContact OD1-NH2 3.17Å; D198-R489 PolarHBondContact OD1-NH2 3.19Å; N306-R489 PolarHBondContact OD1-N 3.29Å; P487-R489 PolarHBondContact O-N 2.96Å; P487-R489 VanDerWaalsContact O-N 3.08Å; R489-G491 VanDerWaalsContact C-N 3.25Å; R489-G491 PolarHBondContact O-N 3.15Å | ||
| 490 | N | 39.1 | Very low | 42.7 | Very low | 112 Ų | 112 | 86.4 Ų | 86.4 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | trans | -74.1 | 72.6 | -175.5 | -79 | -43.8 | 0 | 0 | 0 | 112.5 | D196 R492 | D196-N490 PolarHBondContact O-N 2.86Å; D196-N490 WeakPolarHBondContact OD2-CB 3.41Å; D196-N490 PolarHBondContact OD2-ND2 2.91Å; N490-R492 VanDerWaalsContact C-N 3.34Å; N490-R492 PolarHBondContact O-N 2.92Å | ||
| 491 | G | 35.8 | Very low | 41.7 | Very low | 64 Ų | 64 | 87.3 Ų | 87.3 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | trans | -76.5 | 71.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R489 | R489-G491 VanDerWaalsContact C-N 3.25Å; R489-G491 PolarHBondContact O-N 3.15Å | ||
| 492 | R | 31.3 | Very low | 40.5 | Very low | 254 Ų | 254 | 88 Ų | 88 | 96% | 0.958 | 51% | 0.511 | S | S | * | . | trans | -76 | 120.1 | 151.5 | -104.7 | -171 | 178.4 | -170.6 | 2 | 107.9 | N490 | N490-R492 VanDerWaalsContact C-N 3.34Å; N490-R492 PolarHBondContact O-N 2.92Å | ||
| 493 | M | 39.1 | Very low | 39.3 | Very low | 177 Ų | 177 | 91.9 Ų | 91.9 | 87% | 0.872 | 53% | 0.525 | S | S | * | . | trans | -77.6 | 127.7 | -159.3 | -59.9 | 173.5 | 175.1 | 0 | 0 | 113.5 | ||||
| 494 | D | 31.1 | Very low | 38.6 | Very low | 107 Ų | 107 | 96.1 Ų | 96.1 | 57% | 0.572 | 55% | 0.553 | S | S | * | * | trans | -86.9 | 103.2 | 147.9 | -85.7 | -32.5 | 0 | 0 | 0 | 109 | N496 S497 | D494-N496 PolarHBondContact O-N 2.85Å; D494-S497 PolarHBondContact O-N 3.48Å; D494-S497 VanDerWaalsContact O-N 3.15Å | ||
| 495 | A | 32.7 | Very low | 37.9 | Very low | 98 Ų | 98 | 95.4 Ų | 95.4 | 81% | 0.81 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -0.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 496 | N | 32.6 | Very low | 37.5 | Very low | 134 Ų | 134 | 98.4 Ų | 98.4 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -1.6 | 179.2 | -76.2 | -5.1 | 0 | 0 | 0 | 114 | D494 T498 | D494-N496 PolarHBondContact O-N 2.85Å; N496-T498 VanDerWaalsContact C-N 3.27Å; N496-T498 PolarHBondContact O-N 3.13Å |
| 497 | S | 39.9 | Very low | 36.8 | Very low | 10 Ų | 10 | 103.5 Ų | 103.5 | 7% | 0.07 | 58% | 0.584 | C | S | . | * | trans | -81.2 | 73.4 | -173.5 | -157 | 0 | 0 | 0 | 0 | 112.8 | Y189 N301 D494 Y499 | Y189-S497 WeakPolarHBondContact CE2-OG 3.37Å; Y189-S497 PolarHBondContact OH-OG 3.36Å; N301-S497 PolarHBondContact ND2-O 2.88Å; D494-S497 PolarHBondContact O-N 3.48Å; D494-S497 VanDerWaalsContact O-N 3.15Å; S497-Y499 VanDerWaalsContact O-CD2 3.3Å; S497-Y499 WeakPolarHBondContact O-CD2 3.3Å; S497-Y499 PolarHBondContact O-N 3.37Å; S497-Y499 VanDerWaalsContact O-N 3.16Å; S497-Y499 WeakPolarHBondContact OG-CE2 3.43Å; S497-Y499 PolarHBondContact OG-OH 2.91Å; S497-Y499 VanDerWaalsContact OG-OH 3.1Å | ||
| 498 | T | 45.9 | Very low | 36.2 | Very low | 76 Ų | 76 | 103.1 Ų | 103.1 | 47% | 0.466 | 58% | 0.584 | S | S | . | * | trans | -85 | 80.3 | 178.6 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | K184 N496 T501 | K184-T498 PolarHBondContact NZ-O 3.4Å; N496-T498 VanDerWaalsContact C-N 3.27Å; N496-T498 PolarHBondContact O-N 3.13Å; T498-T501 WeakPolarHBondContact CG2-OG1 3.33Å | ||
| 499 | Y | 55.1 | Low | 35.9 | Very low | 27 Ų | 27 | 104.9 Ų | 104.9 | 11% | 0.106 | 59% | 0.593 | C | S | . | * | S | Bend | trans | -59.2 | -58.8 | 176.6 | -64.9 | -79.2 | 0 | 0 | 0 | 111.7 | K184 Y189 R299 S497 | K184-Y499 PolarHBondContact NZ-O 3.19Å; Y189-Y499 AromaticContact CD1-CE1 3.95Å; Y189-Y499 HydrophobicContact CD1-CE1 3.95Å; Y189-Y499 AromaticContact CD1-CZ 3.97Å; Y189-Y499 WeakPolarHBondContact CD1-OH 3.48Å; Y189-Y499 HydrophobicContact CD2-CD1 4.26Å; Y189-Y499 AromaticContact CD2-CE1 3.52Å; Y189-Y499 HydrophobicContact CD2-CE1 3.52Å; Y189-Y499 HydrophobicContact CE1-CE1 4.46Å; Y189-Y499 VanDerWaalsContact CE1-OH 3.29Å; Y189-Y499 WeakPolarHBondContact CE1-OH 3.16Å; Y189-Y499 HydrophobicContact CE2-CE1 4.08Å; Y189-Y499 HydrophobicContact CG-CD1 4.46Å; Y189-Y499 AromaticContact CG-CE1 3.42Å; Y189-Y499 HydrophobicContact CG-CE1 3.42Å; Y189-Y499 VanDerWaalsContact CG-CE1 3.42Å; Y189-Y499 AromaticContact CG-CZ 3.93Å; R299-Y499 HydrophobicContact CG-CD1 3.99Å; R299-Y499 HydrophobicContact CG-CD2 4.42Å; R299-Y499 HydrophobicContact CG-CE1 4.48Å; R299-Y499 HydrophobicContact CG-CG 3.96Å; R299-Y499 VanDerWaalsContact O-CB 3.3Å; R299-Y499 WeakPolarHBondContact O-CB 3.43Å; S497-Y499 VanDerWaalsContact O-CD2 3.3Å; S497-Y499 WeakPolarHBondContact O-CD2 3.3Å; S497-Y499 PolarHBondContact O-N 3.37Å; S497-Y499 VanDerWaalsContact O-N 3.16Å; S497-Y499 WeakPolarHBondContact OG-CE2 3.43Å; S497-Y499 PolarHBondContact OG-OH 2.91Å; S497-Y499 VanDerWaalsContact OG-OH 3.1Å |
| 500 | A | 41.1 | Very low | 35 | Very low | 9 Ų | 9 | 111.7 Ų | 111.7 | 7% | 0.074 | 63% | 0.627 | C | S | . | * | trans | -123.6 | 116.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V298 R299 Q300 | V298-A500 HydrophobicContact CG2-CB 4.41Å; R299-A500 WeakPolarHBondContact O-CB 3.18Å; Q300-A500 HydrophobicContact CG-CB 4.43Å | ||
| 501 | T | 39.3 | Very low | 34.6 | Very low | 100 Ų | 100 | 115.8 Ų | 115.8 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | trans | -133.7 | 103.2 | 151 | -59.6 | 0 | 0 | 0 | 0 | 105.6 | T498 L503 | T498-T501 WeakPolarHBondContact CG2-OG1 3.33Å; T501-L503 PolarHBondContact O-N 3.17Å | ||
| 502 | P | 34.4 | Very low | 34.2 | Very low | 54 Ų | 54 | 119 Ų | 119 | 35% | 0.351 | 65% | 0.649 | S | S | . | * | trans | -55.3 | 127.4 | 169.6 | -21.6 | 32.9 | 0 | 0 | 0 | 108.3 | F281 P313 S504 | F281-P502 HydrophobicContact CD1-CG 4.43Å; F281-P502 HydrophobicContact CE1-CG 3.66Å; F281-P502 HydrophobicContact CZ-CG 4.02Å; P313-P502 HydrophobicContact CG-CG 4.25Å; P502-S504 PolarHBondContact O-N 3.19Å | ||
| 503 | L | 31.2 | Very low | 34.1 | Very low | 164 Ų | 164 | 117.6 Ų | 117.6 | 86% | 0.859 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -60.6 | 128.9 | 168.2 | -93.3 | 84.2 | 0 | 0 | 0 | 108.2 | T501 | T501-L503 PolarHBondContact O-N 3.17Š|
| 504 | S | 32.2 | Very low | 33.4 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | 57.4 | 108.7 | 171.1 | 52.8 | 0 | 0 | 0 | 0 | 117.6 | P502 I506 | P502-S504 PolarHBondContact O-N 3.19Å; S504-I506 WeakPolarHBondContact CB-O 3.22Å | ||
| 505 | H | 30.3 | Very low | 33.3 | Very low | 164 Ų | 164 | 119.1 Ų | 119.1 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | S | Bend | -69.8 | 139.9 | 128.8 | -80.6 | -84.2 | 0 | 0 | 0 | 108.3 | |||
| 506 | I | 30.6 | Very low | 33 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | trans | 75 | 126.4 | 176.2 | -49.5 | 165.2 | 0 | 0 | 0 | 111.9 | S504 | S504-I506 WeakPolarHBondContact CB-O 3.22Š| ||
| 507 | T | 27.8 | Very low | 32.8 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 81% | 0.81 | 66% | 0.659 | S | S | * | * | cis | -137.9 | 159.2 | 35.9 | -25.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 508 | S | 24.3 | Very low | 32.1 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | trans | -63.1 | 162.8 | 170.4 | -56.3 | 0 | 0 | 0 | 0 | 114.3 | E510 | S508-E510 PolarHBondContact O-N 2.92Š| ||
| 509 | P | 33.5 | Very low | 31.2 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | trans | -90.3 | 104.4 | -170.5 | 34.3 | -32.5 | 0 | 0 | 0 | 113.3 | ||||
| 510 | E | 28.7 | Very low | 30.1 | Very low | 186 Ų | 186 | 129.6 Ų | 129.6 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -159.7 | 96.8 | 162 | -126.4 | 171.8 | -148.4 | 0 | 0 | 111.9 | S508 | S508-E510 PolarHBondContact O-N 2.92Š| ||
| 511 | Q | 28.9 | Very low | 29.7 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -179.5 | 122.6 | 135.7 | -100 | 170.9 | 16.7 | 0 | 0 | 111.2 | ||||
| 512 | T | 27.9 | Very low | 29.7 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -74.4 | 141.8 | 176.3 | 38.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 513 | R | 28.7 | Very low | 30 | Very low | 225 Ų | 225 | 142.8 Ų | 142.8 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | trans | 51.1 | 118.5 | 147.7 | -68.2 | 179.5 | 168 | 173.4 | -4.1 | 118.1 | ||||
| 514 | N | 26.1 | Very low | 31.1 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | -168.1 | 149.3 | 100.3 | -93.9 | -13.4 | 0 | 0 | 0 | 113.9 | |||||
| 515 | E | 27.3 | Very low | 31.9 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 62.6 | 98.9 | 147.9 | -67.1 | 172.9 | -172.5 | 0 | 0 | 122.1 | ||||
| 516 | A | 27.3 | Very low | 32.7 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | 11.9 | 123.6 | 131.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 517 | G | 28.1 | Very low | 33.6 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | 80.4 | 95.6 | 127.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 518 | S | 24.4 | Very low | 35 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -154.1 | 149.8 | 147.6 | -167.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 519 | T | 28.5 | Very low | 36.8 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 145.6 | -177.6 | 37.3 | 0 | 0 | 0 | 0 | 114.1 | P521 | T519-P521 WeakPolarHBondContact O-CD 3.39Š|
| 520 | T | 31 | Very low | 38.2 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 124 | 169.4 | 38.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 521 | P | 34 | Very low | 40 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 123.2 | 158.7 | 30.5 | -27.3 | 0 | 0 | 0 | 109.4 | T519 K523 | T519-P521 WeakPolarHBondContact O-CD 3.39Å; P521-K523 PolarHBondContact O-N 2.7Å |
| 522 | Q | 38.9 | Very low | 41.9 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 92% | 0.916 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62 | 117.1 | 165.5 | -76.5 | -178.6 | -54.7 | 0 | 0 | 108.6 | S524 | Q522-S524 PolarHBondContact O-N 2.95Š|
| 523 | K | 39.6 | Very low | 44 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 56% | 0.561 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.4 | 173.2 | -72.7 | -173.4 | 161.9 | -106.6 | 0 | 109.6 | P521 E527 | P521-K523 PolarHBondContact O-N 2.7Å; K523-E527 VanDerWaalsContact CD-OE2 3.27Å; K523-E527 WeakPolarHBondContact CD-OE2 3.49Å; K523-E527 WeakPolarHBondContact CE-OE2 3.42Å; K523-E527 WeakPolarHBondContact CG-OE2 3.18Å; K523-E527 IonicContact NZ-OE2 2.7Å; K523-E527 PolarHBondContact NZ-OE2 3.47Å |
| 524 | S | 55.9 | Low | 46.1 | Very low | 60 Ų | 60 | 127.4 Ų | 127.4 | 42% | 0.42 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 152.9 | 178.7 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | Q522 S526 E527 R528 | Q522-S524 PolarHBondContact O-N 2.95Å; S524-S526 PolarHBondContact O-N 2.87Å; S524-S526 PolarHBondContact OG-OG 3.21Å; S524-E527 PolarHBondContact O-N 3.36Å; S524-R528 PolarHBondContact O-N 2.9Å |
| 525 | E | 49.2 | Very low | 48.3 | Very low | 167 Ų | 167 | 126.2 Ų | 126.2 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -55.9 | -35.7 | 179.4 | -161.7 | 154.2 | -150.4 | 0 | 0 | 111.9 | E527 R528 E529 | E525-E527 PolarHBondContact O-N 3.12Å; E525-R528 WeakPolarHBondContact O-CB 3.44Å; E525-R528 PolarHBondContact O-N 3.17Å; E525-R528 VanDerWaalsContact O-N 3.1Å; E525-E529 PolarHBondContact O-N 3.33Å |
| 526 | S | 46.5 | Very low | 50.6 | Low | 72 Ų | 72 | 123.7 Ų | 123.7 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -59 | -34.7 | 173 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | S524 N530 | S524-S526 PolarHBondContact O-N 2.87Å; S524-S526 PolarHBondContact OG-OG 3.21Å; S526-N530 WeakPolarHBondContact O-CB 3.27Å; S526-N530 PolarHBondContact O-N 3.21Å |
| 527 | E | 49.8 | Very low | 52.9 | Low | 91 Ų | 91 | 124.7 Ų | 124.7 | 43% | 0.425 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -72.6 | -32.3 | 175.1 | -77.6 | -162.4 | 170.3 | 0 | 0 | 112.1 | K523 S524 E525 R531 | K523-E527 VanDerWaalsContact CD-OE2 3.27Å; K523-E527 WeakPolarHBondContact CD-OE2 3.49Å; K523-E527 WeakPolarHBondContact CE-OE2 3.42Å; K523-E527 WeakPolarHBondContact CG-OE2 3.18Å; K523-E527 IonicContact NZ-OE2 2.7Å; K523-E527 PolarHBondContact NZ-OE2 3.47Å; S524-E527 PolarHBondContact O-N 3.36Å; E525-E527 PolarHBondContact O-N 3.12Å; E527-R531 WeakPolarHBondContact O-CB 3.32Å; E527-R531 PolarHBondContact O-N 2.94Å; E527-R531 VanDerWaalsContact O-N 3.11Å |
| 528 | R | 56.4 | Low | 55.1 | Low | 178 Ų | 178 | 125.3 Ų | 125.3 | 67% | 0.672 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.5 | -38.2 | 176.5 | -73.4 | 177.7 | 166.1 | 169.5 | -4.1 | 111.2 | S524 E525 R531 K532 | S524-R528 PolarHBondContact O-N 2.9Å; E525-R528 WeakPolarHBondContact O-CB 3.44Å; E525-R528 PolarHBondContact O-N 3.17Å; E525-R528 VanDerWaalsContact O-N 3.1Å; R528-R531 PolarHBondContact O-N 3.09Å; R528-K532 WeakPolarHBondContact O-CG 3.32Å; R528-K532 PolarHBondContact O-N 3.06Å; R528-K532 VanDerWaalsContact O-N 3.1Å |
| 529 | E | 61.5 | Low | 57.4 | Low | 124 Ų | 124 | 128.8 Ų | 128.8 | 58% | 0.579 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69 | -50.5 | 176.5 | -164.6 | 152.8 | -131.9 | 0 | 0 | 111.6 | E525 R531 K532 D533 | E525-E529 PolarHBondContact O-N 3.33Å; E529-R531 PolarHBondContact O-N 2.94Å; E529-R531 VanDerWaalsContact O-N 3.12Å; E529-K532 WeakPolarHBondContact O-CA 3.34Å; E529-K532 WeakPolarHBondContact O-CB 3.5Å; E529-K532 PolarHBondContact O-N 3.37Å; E529-D533 PolarHBondContact O-N 3.43Å |
| 530 | N | 64 | Low | 59.6 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 65% | 0.647 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -53.3 | -37 | 172.2 | -104.2 | -33.6 | 0 | 0 | 0 | 112.8 | S526 K534 | S526-N530 WeakPolarHBondContact O-CB 3.27Å; S526-N530 PolarHBondContact O-N 3.21Å; N530-K534 VanDerWaalsContact O-CB 3.27Å; N530-K534 WeakPolarHBondContact O-CB 3.41Å; N530-K534 PolarHBondContact O-N 3.15Å |
| 531 | R | 65.2 | Low | 61.7 | Low | 186 Ų | 186 | 123.1 Ų | 123.1 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.8 | -33.9 | 177.2 | -166.6 | 172.2 | -173.3 | 157.4 | 2.6 | 112.9 | E527 R528 E529 L535 | E527-R531 WeakPolarHBondContact O-CB 3.32Å; E527-R531 PolarHBondContact O-N 2.94Å; E527-R531 VanDerWaalsContact O-N 3.11Å; R528-R531 PolarHBondContact O-N 3.09Å; E529-R531 PolarHBondContact O-N 2.94Å; E529-R531 VanDerWaalsContact O-N 3.12Å; R531-L535 PolarHBondContact O-N 3.28Å |
| 532 | K | 69.1 | Low | 63.7 | Low | 143 Ų | 143 | 123.6 Ų | 123.6 | 62% | 0.622 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.7 | -45.5 | 172.4 | -75.4 | 175.3 | 178.9 | 177.4 | 0 | 110.9 | R528 E529 L535 K536 | R528-K532 WeakPolarHBondContact O-CG 3.32Å; R528-K532 PolarHBondContact O-N 3.06Å; R528-K532 VanDerWaalsContact O-N 3.1Å; E529-K532 WeakPolarHBondContact O-CA 3.34Å; E529-K532 WeakPolarHBondContact O-CB 3.5Å; E529-K532 PolarHBondContact O-N 3.37Å; K532-L535 WeakPolarHBondContact O-CA 3.31Å; K532-L535 WeakPolarHBondContact O-CB 3.24Å; K532-L535 PolarHBondContact O-N 2.91Å; K532-L535 VanDerWaalsContact O-N 3.12Å; K532-K536 WeakPolarHBondContact O-CG 3.48Å; K532-K536 PolarHBondContact O-N 3.38Å |
| 533 | D | 71.8 | Confident | 65.4 | Low | 65 Ų | 65 | 118.8 Ų | 118.8 | 35% | 0.348 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72 | -35.4 | -176.9 | -65.8 | -26.9 | 0 | 0 | 0 | 112.2 | E529 L535 K536 L537 | E529-D533 PolarHBondContact O-N 3.43Å; D533-L535 VanDerWaalsContact C-N 3.27Å; D533-L535 PolarHBondContact O-N 3.43Å; D533-K536 PolarHBondContact O-N 2.92Å; D533-K536 WeakPolarHBondContact OD1-CD 3.23Å; D533-K536 WeakPolarHBondContact OD1-CE 3.4Å; D533-K536 IonicContact OD1-NZ 3.35Å; D533-K536 PolarHBondContact OD1-NZ 3.44Å; D533-L537 WeakPolarHBondContact O-CB 3.49Å; D533-L537 PolarHBondContact O-N 3.19Å |
| 534 | K | 74.1 | Confident | 67.3 | Low | 146 Ų | 146 | 114.4 Ų | 114.4 | 64% | 0.635 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.8 | -34.8 | 167.8 | -165.6 | 168.2 | -172.4 | 171.8 | 0 | 112.6 | N530 L538 | N530-K534 VanDerWaalsContact O-CB 3.27Å; N530-K534 WeakPolarHBondContact O-CB 3.41Å; N530-K534 PolarHBondContact O-N 3.15Å; K534-L538 VanDerWaalsContact O-CG 3.32Å; K534-L538 WeakPolarHBondContact O-CG 3.46Å; K534-L538 PolarHBondContact O-N 3.37Å; K534-L538 VanDerWaalsContact O-N 3.15Å |
| 535 | L | 71.4 | Confident | 68.3 | Low | 118 Ų | 118 | 116.3 Ų | 116.3 | 62% | 0.618 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.3 | -39.9 | 174.1 | -129 | 84.5 | 0 | 0 | 0 | 112.5 | R531 K532 D533 R539 | R531-L535 PolarHBondContact O-N 3.28Å; K532-L535 WeakPolarHBondContact O-CA 3.31Å; K532-L535 WeakPolarHBondContact O-CB 3.24Å; K532-L535 PolarHBondContact O-N 2.91Å; K532-L535 VanDerWaalsContact O-N 3.12Å; D533-L535 VanDerWaalsContact C-N 3.27Å; D533-L535 PolarHBondContact O-N 3.43Å; L535-R539 PolarHBondContact O-N 3.29Å; L535-R539 VanDerWaalsContact O-N 3.09Å |
| 536 | K | 75.8 | Confident | 69.7 | Low | 122 Ų | 122 | 116 Ų | 116 | 53% | 0.53 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 173.9 | -66.7 | 173.3 | -167.3 | 161.1 | 0 | 110.8 | K532 D533 L538 R539 I540 | K532-K536 WeakPolarHBondContact O-CG 3.48Å; K532-K536 PolarHBondContact O-N 3.38Å; D533-K536 PolarHBondContact O-N 2.92Å; D533-K536 WeakPolarHBondContact OD1-CD 3.23Å; D533-K536 WeakPolarHBondContact OD1-CE 3.4Å; D533-K536 IonicContact OD1-NZ 3.35Å; D533-K536 PolarHBondContact OD1-NZ 3.44Å; K536-L538 PolarHBondContact O-N 3.49Å; K536-R539 PolarHBondContact O-N 3.44Å; K536-R539 VanDerWaalsContact O-N 3.17Å; K536-I540 VanDerWaalsContact O-CG1 3.32Å; K536-I540 WeakPolarHBondContact O-CG1 3.32Å; K536-I540 PolarHBondContact O-N 3.02Å |
| 537 | L | 76.1 | Confident | 71 | Confident | 123 Ų | 123 | 117.5 Ų | 117.5 | 64% | 0.644 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.3 | -44.8 | -179.8 | -166.5 | 74.3 | 0 | 0 | 0 | 111.5 | D533 R539 I540 S541 | D533-L537 WeakPolarHBondContact O-CB 3.49Å; D533-L537 PolarHBondContact O-N 3.19Å; L537-R539 PolarHBondContact O-N 3.42Å; L537-I540 PolarHBondContact O-N 3.47Å; L537-S541 PolarHBondContact O-N 3.24Å; L537-S541 PolarHBondContact O-OG 3.1Å |
| 538 | L | 73.3 | Confident | 72.1 | Confident | 95 Ų | 95 | 114.2 Ų | 114.2 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 173.9 | -74.1 | 168.2 | 0 | 0 | 0 | 112.4 | K534 K536 I540 S541 E542 | K534-L538 VanDerWaalsContact O-CG 3.32Å; K534-L538 WeakPolarHBondContact O-CG 3.46Å; K534-L538 PolarHBondContact O-N 3.37Å; K534-L538 VanDerWaalsContact O-N 3.15Å; K536-L538 PolarHBondContact O-N 3.49Å; L538-I540 VanDerWaalsContact C-N 3.32Å; L538-I540 PolarHBondContact O-N 3Å; L538-S541 PolarHBondContact O-N 3.14Å; L538-S541 PolarHBondContact O-OG 2.9Å; L538-S541 VanDerWaalsContact O-OG 3.1Å; L538-E542 WeakPolarHBondContact O-CG 3.48Å; L538-E542 PolarHBondContact O-N 3.02Å |
| 539 | R | 72.9 | Confident | 73 | Confident | 193 Ų | 193 | 110.2 Ų | 110.2 | 73% | 0.728 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.8 | -33.4 | 178.2 | -168.7 | 174.8 | -175.9 | 174.3 | 1.9 | 112.4 | L535 K536 L537 L543 | L535-R539 PolarHBondContact O-N 3.29Å; L535-R539 VanDerWaalsContact O-N 3.09Å; K536-R539 PolarHBondContact O-N 3.44Å; K536-R539 VanDerWaalsContact O-N 3.17Å; L537-R539 PolarHBondContact O-N 3.42Å; R539-L543 WeakPolarHBondContact O-CB 3.41Å; R539-L543 PolarHBondContact O-N 3.05Å |
| 540 | I | 75.2 | Confident | 74 | Confident | 102 Ų | 102 | 108 Ų | 108 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.7 | -46.2 | 174.9 | -69.2 | 165 | 0 | 0 | 0 | 110.1 | K536 L537 L538 E542 L543 V544 | K536-I540 VanDerWaalsContact O-CG1 3.32Å; K536-I540 WeakPolarHBondContact O-CG1 3.32Å; K536-I540 PolarHBondContact O-N 3.02Å; L537-I540 PolarHBondContact O-N 3.47Å; L538-I540 VanDerWaalsContact C-N 3.32Å; L538-I540 PolarHBondContact O-N 3Å; I540-E542 PolarHBondContact O-N 3.05Å; I540-L543 WeakPolarHBondContact O-CA 3.36Å; I540-L543 WeakPolarHBondContact O-CB 3.49Å; I540-L543 PolarHBondContact O-N 3.02Å; I540-V544 HydrophobicContact CG2-CG2 4.36Å; I540-V544 WeakPolarHBondContact O-CG2 3.43Å; I540-V544 PolarHBondContact O-N 3.2Å |
| 541 | S | 74.2 | Confident | 74.5 | Confident | 39 Ų | 39 | 105.9 Ų | 105.9 | 27% | 0.273 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 179.8 | 65.6 | 0 | 0 | 0 | 0 | 113 | L537 L538 L543 R545 | L537-S541 PolarHBondContact O-N 3.24Å; L537-S541 PolarHBondContact O-OG 3.1Å; L538-S541 PolarHBondContact O-N 3.14Å; L538-S541 PolarHBondContact O-OG 2.9Å; L538-S541 VanDerWaalsContact O-OG 3.1Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-R545 VanDerWaalsContact O-CB 3.3Å; S541-R545 WeakPolarHBondContact O-CB 3.17Å; S541-R545 PolarHBondContact O-N 3.12Å |
| 542 | E | 75.9 | Confident | 75.2 | Confident | 125 Ų | 125 | 103.5 Ų | 103.5 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | 168.8 | -76.7 | -178.6 | 171.5 | 0 | 0 | 112.9 | L538 I540 K546 | L538-E542 WeakPolarHBondContact O-CG 3.48Å; L538-E542 PolarHBondContact O-N 3.02Å; I540-E542 PolarHBondContact O-N 3.05Å; E542-K546 WeakPolarHBondContact O-CB 3.3Å; E542-K546 PolarHBondContact O-N 2.9Å |
| 543 | L | 76 | Confident | 75.6 | Confident | 95 Ų | 95 | 99.3 Ų | 99.3 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68 | -46.7 | 178.5 | -149.8 | 81.1 | 0 | 0 | 0 | 111.3 | R539 I540 S541 K546 F547 | R539-L543 WeakPolarHBondContact O-CB 3.41Å; R539-L543 PolarHBondContact O-N 3.05Å; I540-L543 WeakPolarHBondContact O-CA 3.36Å; I540-L543 WeakPolarHBondContact O-CB 3.49Å; I540-L543 PolarHBondContact O-N 3.02Å; S541-L543 VanDerWaalsContact C-N 3.33Å; L543-K546 PolarHBondContact O-N 3.47Å; L543-F547 HydrophobicContact CD2-CE2 3.75Å; L543-F547 HydrophobicContact CD2-CZ 4.42Å; L543-F547 HydrophobicContact CG-CD2 4.32Å; L543-F547 HydrophobicContact CG-CE2 3.71Å; L543-F547 HydrophobicContact CG-CZ 4.37Å; L543-F547 WeakPolarHBondContact O-CD2 3.3Å; L543-F547 PolarHBondContact O-N 2.87Å |
| 544 | V | 78.4 | Confident | 75.9 | Confident | 38 Ų | 38 | 98.5 Ų | 98.5 | 23% | 0.23 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | I540 K546 F547 M548 L568 V572 | I540-V544 HydrophobicContact CG2-CG2 4.36Å; I540-V544 WeakPolarHBondContact O-CG2 3.43Å; I540-V544 PolarHBondContact O-N 3.2Å; V544-K546 VanDerWaalsContact C-N 3.27Å; V544-K546 PolarHBondContact O-N 2.93Å; V544-F547 PolarHBondContact O-N 2.9Å; V544-M548 HydrophobicContact CG1-CG 4.11Å; V544-M548 HydrophobicContact CG1-SD 3.92Å; V544-M548 WeakPolarHBondContact O-CG 3.38Å; V544-M548 PolarHBondContact O-N 3.01Å; V544-L568 HydrophobicContact CG1-CD2 4.28Å; V544-V572 HydrophobicContact CB-CG2 4.31Å; V544-V572 HydrophobicContact CG1-CG2 3.8Å |
| 545 | R | 77.4 | Confident | 76.1 | Confident | 99 Ų | 99 | 97.6 Ų | 97.6 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -53.2 | -44.2 | 174.9 | -170.1 | 175.5 | -65.9 | 125.4 | -3.3 | 112.4 | S541 M548 S549 V572 | S541-R545 VanDerWaalsContact O-CB 3.3Å; S541-R545 WeakPolarHBondContact O-CB 3.17Å; S541-R545 PolarHBondContact O-N 3.12Å; R545-M548 PolarHBondContact O-N 3.33Å; R545-S549 WeakPolarHBondContact O-CB 3.35Å; R545-S549 PolarHBondContact O-N 3.04Å; R545-S549 PolarHBondContact O-OG 3.24Å; R545-V572 HydrophobicContact CB-CG1 3.56Å; R545-V572 HydrophobicContact CG-CG1 3.55Å; R545-V572 PolarHBondContact NE-O 3.09Å; R545-V572 PolarHBondContact NH2-O 2.65Å |
| 546 | K | 78.8 | Confident | 76.6 | Confident | 162 Ų | 162 | 96 Ų | 96 | 70% | 0.704 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.9 | -34.8 | 178.9 | -170.4 | 175 | -178.1 | 176.9 | 0 | 113 | E542 L543 V544 | E542-K546 WeakPolarHBondContact O-CB 3.3Å; E542-K546 PolarHBondContact O-N 2.9Å; L543-K546 PolarHBondContact O-N 3.47Å; V544-K546 VanDerWaalsContact C-N 3.27Å; V544-K546 PolarHBondContact O-N 2.93Å |
| 547 | F | 74.2 | Confident | 76.6 | Confident | 103 Ų | 103 | 92.9 Ų | 92.9 | 45% | 0.452 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72 | -44.7 | 174.2 | -69.8 | -51.2 | 0 | 0 | 0 | 112.1 | L543 V544 S549 N550 I553 | L543-F547 HydrophobicContact CD2-CE2 3.75Å; L543-F547 HydrophobicContact CD2-CZ 4.42Å; L543-F547 HydrophobicContact CG-CD2 4.32Å; L543-F547 HydrophobicContact CG-CE2 3.71Å; L543-F547 HydrophobicContact CG-CZ 4.37Å; L543-F547 WeakPolarHBondContact O-CD2 3.3Å; L543-F547 PolarHBondContact O-N 2.87Å; V544-F547 PolarHBondContact O-N 2.9Å; F547-S549 VanDerWaalsContact C-N 3.26Å; F547-S549 PolarHBondContact O-N 3.3Å; F547-N550 WeakPolarHBondContact O-CB 3.27Å; F547-N550 PolarHBondContact O-N 2.97Å; F547-I553 HydrophobicContact CB-CG2 4.22Å; F547-I553 HydrophobicContact CD1-CD1 3.84Å |
| 548 | M | 72.3 | Confident | 76.8 | Confident | 21 Ų | 21 | 91.1 Ų | 91.1 | 10% | 0.103 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.5 | -24.6 | 177.2 | -61.7 | -166 | 78.2 | 0 | 0 | 113.6 | V544 R545 N550 L554 S565 L568 A569 V572 | V544-M548 HydrophobicContact CG1-CG 4.11Å; V544-M548 HydrophobicContact CG1-SD 3.92Å; V544-M548 WeakPolarHBondContact O-CG 3.38Å; V544-M548 PolarHBondContact O-N 3.01Å; R545-M548 PolarHBondContact O-N 3.33Å; M548-N550 PolarHBondContact O-N 3.28Å; M548-L554 HydrophobicContact CE-CD1 3.62Å; M548-S565 WeakPolarHBondContact CE-O 3.38Å; M548-L568 HydrophobicContact CE-CB 4.22Å; M548-L568 VanDerWaalsContact SD-C 3.59Å; M548-L568 HydrophobicContact SD-CB 3.86Å; M548-A569 VanDerWaalsContact CE-CA 3.45Å; M548-A569 HydrophobicContact CE-CB 3.57Å; M548-V572 HydrophobicContact SD-CB 4.5Å; M548-V572 HydrophobicContact SD-CG2 4.28Å |
| 549 | S | 75.2 | Confident | 77.3 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 66% | 0.664 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.4 | 170.9 | -58.1 | 0 | 0 | 0 | 0 | 113.4 | R545 F547 | R545-S549 WeakPolarHBondContact O-CB 3.35Å; R545-S549 PolarHBondContact O-N 3.04Å; R545-S549 PolarHBondContact O-OG 3.24Å; F547-S549 VanDerWaalsContact C-N 3.26Å; F547-S549 PolarHBondContact O-N 3.3Å |
| 550 | N | 82.6 | Confident | 77.7 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -96.9 | 107.7 | 178.1 | -175.5 | -19.2 | 0 | 0 | 0 | 109.6 | F547 M548 K552 I553 L554 | F547-N550 WeakPolarHBondContact O-CB 3.27Å; F547-N550 PolarHBondContact O-N 2.97Å; M548-N550 PolarHBondContact O-N 3.28Å; N550-K552 PolarHBondContact O-N 2.79Å; N550-K552 VanDerWaalsContact O-N 3.08Å; N550-K552 PolarHBondContact OD1-N 3.45Å; N550-I553 HydrophobicContact CB-CB 4.26Å; N550-I553 HydrophobicContact CB-CD1 4.03Å; N550-I553 HydrophobicContact CB-CG1 4.14Å; N550-I553 PolarHBondContact O-N 2.94Å; N550-L554 PolarHBondContact O-N 3.37Å |
| 551 | A | 74.9 | Confident | 78.1 | Confident | 76 Ų | 76 | 88.7 Ų | 88.7 | 63% | 0.628 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -49.4 | -39.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L554 E555 | A551-L554 PolarHBondContact O-N 2.99Å; A551-E555 WeakPolarHBondContact O-CB 3.37Å; A551-E555 PolarHBondContact O-N 2.81Å |
| 552 | K | 80.2 | Confident | 78.4 | Confident | 137 Ų | 137 | 91.3 Ų | 91.3 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.2 | -41.3 | 179.6 | -173.3 | 179.8 | 177.5 | -175.2 | 0 | 112.5 | N550 L554 E555 D556 | N550-K552 PolarHBondContact O-N 2.79Å; N550-K552 VanDerWaalsContact O-N 3.08Å; N550-K552 PolarHBondContact OD1-N 3.45Å; K552-L554 VanDerWaalsContact C-N 3.34Å; K552-E555 PolarHBondContact O-N 3.1Å; K552-D556 WeakPolarHBondContact O-CB 3.45Å; K552-D556 VanDerWaalsContact O-CG 3.23Å; K552-D556 PolarHBondContact O-N 2.96Å |
| 553 | I | 77.2 | Confident | 78.5 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 28% | 0.282 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.8 | -36.4 | 179.8 | -60 | 177.8 | 0 | 0 | 0 | 110 | F547 N550 M557 | F547-I553 HydrophobicContact CB-CG2 4.22Å; F547-I553 HydrophobicContact CD1-CD1 3.84Å; N550-I553 HydrophobicContact CB-CB 4.26Å; N550-I553 HydrophobicContact CB-CD1 4.03Å; N550-I553 HydrophobicContact CB-CG1 4.14Å; N550-I553 PolarHBondContact O-N 2.94Å; I553-M557 HydrophobicContact CG2-CG 4.48Å; I553-M557 HydrophobicContact CG2-SD 4.2Å; I553-M557 WeakPolarHBondContact O-CB 3.47Å; I553-M557 VanDerWaalsContact O-CG 3.27Å; I553-M557 WeakPolarHBondContact O-CG 3.19Å; I553-M557 PolarHBondContact O-N 3.23Å |
| 554 | L | 77 | Confident | 78.5 | Confident | 47 Ų | 47 | 94.6 Ų | 94.6 | 25% | 0.246 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 174.3 | -175.1 | 64.6 | 0 | 0 | 0 | 112.1 | M548 N550 A551 K552 M557 K558 | M548-L554 HydrophobicContact CE-CD1 3.62Å; N550-L554 PolarHBondContact O-N 3.37Å; A551-L554 PolarHBondContact O-N 2.99Å; K552-L554 VanDerWaalsContact C-N 3.34Å; L554-M557 PolarHBondContact O-N 3.15Å; L554-K558 WeakPolarHBondContact O-CB 3.37Å; L554-K558 WeakPolarHBondContact O-CG 3.41Å; L554-K558 PolarHBondContact O-N 3.18Å |
| 555 | E | 79.7 | Confident | 78.5 | Confident | 128 Ų | 128 | 92.9 Ų | 92.9 | 60% | 0.598 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.7 | -48.4 | 174.6 | -171.8 | 172.5 | -158.7 | 0 | 0 | 111.4 | A551 K552 M557 K558 L559 | A551-E555 WeakPolarHBondContact O-CB 3.37Å; A551-E555 PolarHBondContact O-N 2.81Å; K552-E555 PolarHBondContact O-N 3.1Å; E555-M557 VanDerWaalsContact C-N 3.29Å; E555-M557 PolarHBondContact O-N 3.21Å; E555-K558 PolarHBondContact O-N 3.18Å; E555-L559 HydrophobicContact CG-CD1 4.46Å; E555-L559 PolarHBondContact O-N 3.43Å; E555-L559 VanDerWaalsContact O-N 3.1Å |
| 556 | D | 81.3 | Confident | 78.6 | Confident | 83 Ų | 83 | 92.3 Ų | 92.3 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -35.6 | 175 | -70.5 | -27.1 | 0 | 0 | 0 | 112 | K552 V560 | K552-D556 WeakPolarHBondContact O-CB 3.45Å; K552-D556 VanDerWaalsContact O-CG 3.23Å; K552-D556 PolarHBondContact O-N 2.96Å; D556-V560 WeakPolarHBondContact O-CG2 3.29Å |
| 557 | M | 76.1 | Confident | 78.6 | Confident | 58 Ų | 58 | 90.6 Ų | 90.6 | 29% | 0.286 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.8 | -45.3 | 175.2 | -77.9 | 176.6 | 68.8 | 0 | 0 | 112.7 | I553 L554 E555 L559 V560 D561 L568 | I553-M557 HydrophobicContact CG2-CG 4.48Å; I553-M557 HydrophobicContact CG2-SD 4.2Å; I553-M557 WeakPolarHBondContact O-CB 3.47Å; I553-M557 VanDerWaalsContact O-CG 3.27Å; I553-M557 WeakPolarHBondContact O-CG 3.19Å; I553-M557 PolarHBondContact O-N 3.23Å; L554-M557 PolarHBondContact O-N 3.15Å; E555-M557 VanDerWaalsContact C-N 3.29Å; E555-M557 PolarHBondContact O-N 3.21Å; M557-L559 PolarHBondContact O-N 3.37Å; M557-V560 PolarHBondContact O-N 3.27Å; M557-D561 PolarHBondContact O-N 3.33Å; M557-L568 HydrophobicContact CE-CD1 3.69Å |
| 558 | K | 80 | Confident | 78.7 | Confident | 85 Ų | 85 | 88.4 Ų | 88.4 | 37% | 0.37 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -25.5 | 176.6 | -78.7 | 179.7 | 172.2 | -103.7 | 0 | 113.1 | L554 E555 L562 S565 E566 | L554-K558 WeakPolarHBondContact O-CB 3.37Å; L554-K558 WeakPolarHBondContact O-CG 3.41Å; L554-K558 PolarHBondContact O-N 3.18Å; E555-K558 PolarHBondContact O-N 3.18Å; K558-L562 HydrophobicContact CB-CD1 4.09Å; K558-L562 HydrophobicContact CD-CD1 4.2Å; K558-L562 HydrophobicContact CG-CD1 3.83Å; K558-S565 VanDerWaalsContact CG-OG 3.29Å; K558-S565 WeakPolarHBondContact CG-OG 3.33Å; K558-E566 IonicContact NZ-OE1 2.85Å; K558-E566 PolarHBondContact NZ-OE1 3.48Å |
| 559 | L | 83.1 | Confident | 78.7 | Confident | 138 Ų | 138 | 89 Ų | 89 | 72% | 0.723 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18.7 | 173.7 | -83.1 | 159.5 | 0 | 0 | 0 | 114 | E555 M557 | E555-L559 HydrophobicContact CG-CD1 4.46Å; E555-L559 PolarHBondContact O-N 3.43Å; E555-L559 VanDerWaalsContact O-N 3.1Å; M557-L559 PolarHBondContact O-N 3.37Å |
| 560 | V | 82.8 | Confident | 78.7 | Confident | 132 Ų | 132 | 89.8 Ų | 89.8 | 80% | 0.8 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -51.9 | 179.9 | 172.9 | 0 | 0 | 0 | 0 | 111 | D556 M557 | D556-V560 WeakPolarHBondContact O-CG2 3.29Å; M557-V560 PolarHBondContact O-N 3.27Å |
| 561 | D | 83.4 | Confident | 78.1 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | trans | -150.3 | 114.7 | 174 | -165.1 | -48.5 | 0 | 0 | 0 | 109.3 | M557 E563 E564 S565 | M557-D561 PolarHBondContact O-N 3.33Å; D561-E563 PolarHBondContact OD1-N 3.41Å; D561-E564 HydrophobicContact CB-CB 4.28Å; D561-E564 PolarHBondContact OD1-N 3.28Å; D561-E564 VanDerWaalsContact OD1-N 3.1Å; D561-S565 VanDerWaalsContact O-CB 3.26Å; D561-S565 WeakPolarHBondContact O-CB 3.25Å; D561-S565 PolarHBondContact O-N 3.22Å; D561-S565 PolarHBondContact O-OG 3.35Å | ||
| 562 | L | 80.1 | Confident | 77.7 | Confident | 93 Ų | 93 | 88.5 Ų | 88.5 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.9 | -39.7 | -177.8 | -175.3 | 61.6 | 0 | 0 | 0 | 111.4 | K558 S565 E566 | K558-L562 HydrophobicContact CB-CD1 4.09Å; K558-L562 HydrophobicContact CD-CD1 4.2Å; K558-L562 HydrophobicContact CG-CD1 3.83Å; L562-S565 PolarHBondContact O-N 3.48Å; L562-S565 PolarHBondContact O-OG 3.34Å; L562-E566 HydrophobicContact CD1-CG 4.43Å; L562-E566 WeakPolarHBondContact O-CG 3.26Å; L562-E566 PolarHBondContact O-N 3.1Å; L562-E566 VanDerWaalsContact O-N 3.09Å |
| 563 | E | 78.8 | Confident | 76.8 | Confident | 164 Ų | 164 | 86.5 Ų | 86.5 | 77% | 0.766 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71.5 | -48.2 | -172.3 | -167.9 | 169.6 | -171.7 | 0 | 0 | 110.6 | D561 S565 E566 E567 | D561-E563 PolarHBondContact OD1-N 3.41Å; E563-S565 VanDerWaalsContact C-N 3.28Å; E563-S565 PolarHBondContact O-N 3.06Å; E563-E566 PolarHBondContact O-N 3.01Å; E563-E567 PolarHBondContact O-N 3.01Å |
| 564 | E | 75.7 | Confident | 75.4 | Confident | 125 Ų | 125 | 90.2 Ų | 90.2 | 58% | 0.584 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.5 | -36.4 | 173.1 | -70.9 | -163.1 | 160.6 | 0 | 0 | 111.9 | D561 E566 L568 | D561-E564 HydrophobicContact CB-CB 4.28Å; D561-E564 PolarHBondContact OD1-N 3.28Å; D561-E564 VanDerWaalsContact OD1-N 3.1Å; E564-E566 VanDerWaalsContact C-N 3.32Å; E564-E566 PolarHBondContact O-N 2.97Å; E564-L568 WeakPolarHBondContact O-CB 3.37Å; E564-L568 VanDerWaalsContact O-CG 3.25Å; E564-L568 WeakPolarHBondContact O-CG 3.49Å; E564-L568 PolarHBondContact O-N 2.91Å |
| 565 | S | 78.8 | Confident | 75.3 | Confident | 2 Ų | 2 | 92.4 Ų | 92.4 | 1% | 0.014 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -67.3 | -31.4 | 179.4 | 82 | 0 | 0 | 0 | 0 | 113.1 | M548 K558 D561 L562 E563 A569 | M548-S565 WeakPolarHBondContact CE-O 3.38Å; K558-S565 VanDerWaalsContact CG-OG 3.29Å; K558-S565 WeakPolarHBondContact CG-OG 3.33Å; D561-S565 VanDerWaalsContact O-CB 3.26Å; D561-S565 WeakPolarHBondContact O-CB 3.25Å; D561-S565 PolarHBondContact O-N 3.22Å; D561-S565 PolarHBondContact O-OG 3.35Å; L562-S565 PolarHBondContact O-N 3.48Å; L562-S565 PolarHBondContact O-OG 3.34Å; E563-S565 VanDerWaalsContact C-N 3.28Å; E563-S565 PolarHBondContact O-N 3.06Å; S565-A569 PolarHBondContact O-N 3.4Å |
| 566 | E | 78.8 | Confident | 75.1 | Confident | 88 Ų | 88 | 90.5 Ų | 90.5 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -84.5 | -34.5 | 178.5 | -69.4 | -172 | 172 | 0 | 0 | 111.8 | K558 L562 E563 E564 A569 N570 | K558-E566 IonicContact NZ-OE1 2.85Å; K558-E566 PolarHBondContact NZ-OE1 3.48Å; L562-E566 HydrophobicContact CD1-CG 4.43Å; L562-E566 WeakPolarHBondContact O-CG 3.26Å; L562-E566 PolarHBondContact O-N 3.1Å; L562-E566 VanDerWaalsContact O-N 3.09Å; E563-E566 PolarHBondContact O-N 3.01Å; E564-E566 VanDerWaalsContact C-N 3.32Å; E564-E566 PolarHBondContact O-N 2.97Å; E566-A569 WeakPolarHBondContact O-CB 3.35Å; E566-A569 PolarHBondContact O-N 3.41Å; E566-N570 VanDerWaalsContact O-CG 3.3Å; E566-N570 PolarHBondContact O-N 3.45Å; E566-N570 PolarHBondContact O-ND2 3.35Å; E566-N570 VanDerWaalsContact O-ND2 3.08Å |
| 567 | E | 78.6 | Confident | 74.8 | Confident | 126 Ų | 126 | 90.9 Ų | 90.9 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 169.4 | -164.3 | -177.3 | -175.7 | 0 | 0 | 111.1 | E563 A569 N570 L571 | E563-E567 PolarHBondContact O-N 3.01Å; E567-A569 VanDerWaalsContact C-N 3.29Å; E567-A569 PolarHBondContact O-N 2.97Å; E567-N570 PolarHBondContact O-N 3.08Å; E567-L571 HydrophobicContact CG-CD1 4.16Å; E567-L571 WeakPolarHBondContact O-CB 3.42Å; E567-L571 PolarHBondContact O-N 3.23Å |
| 568 | L | 75.8 | Confident | 74.7 | Confident | 56 Ų | 56 | 92.8 Ų | 92.8 | 29% | 0.293 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | 174 | -72.9 | 169.6 | 0 | 0 | 0 | 112.5 | V544 M548 M557 E564 V572 | V544-L568 HydrophobicContact CG1-CD2 4.28Å; M548-L568 HydrophobicContact CE-CB 4.22Å; M548-L568 VanDerWaalsContact SD-C 3.59Å; M548-L568 HydrophobicContact SD-CB 3.86Å; M557-L568 HydrophobicContact CE-CD1 3.69Å; E564-L568 WeakPolarHBondContact O-CB 3.37Å; E564-L568 VanDerWaalsContact O-CG 3.25Å; E564-L568 WeakPolarHBondContact O-CG 3.49Å; E564-L568 PolarHBondContact O-N 2.91Å; L568-V572 VanDerWaalsContact O-CB 3.29Å; L568-V572 WeakPolarHBondContact O-CB 3.44Å; L568-V572 WeakPolarHBondContact O-CG2 3.43Å; L568-V572 PolarHBondContact O-N 2.71Å |
| 569 | A | 72.9 | Confident | 74.4 | Confident | 35 Ų | 35 | 93.3 Ų | 93.3 | 29% | 0.289 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M548 S565 E566 E567 V572 S573 | M548-A569 VanDerWaalsContact CE-CA 3.45Å; M548-A569 HydrophobicContact CE-CB 3.57Å; S565-A569 PolarHBondContact O-N 3.4Å; E566-A569 WeakPolarHBondContact O-CB 3.35Å; E566-A569 PolarHBondContact O-N 3.41Å; E567-A569 VanDerWaalsContact C-N 3.29Å; E567-A569 PolarHBondContact O-N 2.97Å; A569-V572 PolarHBondContact O-N 3.04Å; A569-S573 WeakPolarHBondContact O-CB 3.29Å; A569-S573 PolarHBondContact O-N 2.76Å; A569-S573 VanDerWaalsContact O-N 3.15Å; A569-S573 PolarHBondContact O-OG 3.18Å |
| 570 | N | 75.8 | Confident | 73.8 | Confident | 110 Ų | 110 | 90.3 Ų | 90.3 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.6 | -38.4 | 179.5 | -67.5 | -34.4 | 0 | 0 | 0 | 112.1 | E566 E567 V572 S573 S574 | E566-N570 VanDerWaalsContact O-CG 3.3Å; E566-N570 PolarHBondContact O-N 3.45Å; E566-N570 PolarHBondContact O-ND2 3.35Å; E566-N570 VanDerWaalsContact O-ND2 3.08Å; E567-N570 PolarHBondContact O-N 3.08Å; N570-V572 PolarHBondContact O-N 3.3Å; N570-S573 PolarHBondContact O-OG 3.08Å; N570-S574 PolarHBondContact O-N 2.98Å; N570-S574 PolarHBondContact O-OG 2.85Å |
| 571 | L | 68.1 | Low | 73.1 | Confident | 107 Ų | 107 | 87.4 Ų | 87.4 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.2 | -19.1 | 174.4 | -89.8 | 160 | 0 | 0 | 0 | 114.6 | E567 | E567-L571 HydrophobicContact CG-CD1 4.16Å; E567-L571 WeakPolarHBondContact O-CB 3.42Å; E567-L571 PolarHBondContact O-N 3.23Å |
| 572 | V | 68.3 | Low | 72.4 | Confident | 19 Ų | 19 | 88.7 Ų | 88.7 | 12% | 0.115 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -104.3 | -23.2 | -173.9 | 162.3 | 0 | 0 | 0 | 0 | 113.1 | V544 R545 M548 L568 A569 N570 | V544-V572 HydrophobicContact CB-CG2 4.31Å; V544-V572 HydrophobicContact CG1-CG2 3.8Å; R545-V572 HydrophobicContact CB-CG1 3.56Å; R545-V572 HydrophobicContact CG-CG1 3.55Å; R545-V572 PolarHBondContact NE-O 3.09Å; R545-V572 PolarHBondContact NH2-O 2.65Å; M548-V572 HydrophobicContact SD-CB 4.5Å; M548-V572 HydrophobicContact SD-CG2 4.28Å; L568-V572 VanDerWaalsContact O-CB 3.29Å; L568-V572 WeakPolarHBondContact O-CB 3.44Å; L568-V572 WeakPolarHBondContact O-CG2 3.43Å; L568-V572 PolarHBondContact O-N 2.71Å; A569-V572 PolarHBondContact O-N 3.04Å; N570-V572 PolarHBondContact O-N 3.3Å |
| 573 | S | 60.4 | Low | 71.7 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -92.9 | -5.2 | 178.1 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | A569 N570 | A569-S573 WeakPolarHBondContact O-CB 3.29Å; A569-S573 PolarHBondContact O-N 2.76Å; A569-S573 VanDerWaalsContact O-N 3.15Å; A569-S573 PolarHBondContact O-OG 3.18Å; N570-S573 PolarHBondContact O-OG 3.08Å |
| 574 | S | 48.5 | Very low | 71.1 | Confident | 133 Ų | 133 | 81.5 Ų | 81.5 | 93% | 0.93 | 46% | 0.458 | S | S | * | . | trans | -92.8 | 0 | 166.5 | 40.9 | 0 | 0 | 0 | 0 | 113.3 | N570 | N570-S574 PolarHBondContact O-N 2.98Å; N570-S574 PolarHBondContact O-OG 2.85Å |
Retrieved 574 of 574 residues in 237.8 ms
(Link to these results)