| 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 | K | 47.1 | Very low | 81.6 | Confident | 202 Ų | 202 | 57.7 Ų | 57.7 | 88% | 0.878 | 26% | 0.256 | S | S | * | . | 0 | 101.1 | 0 | -169.9 | -174.4 | -172.4 | -165.4 | 0 | 106.5 | Y3 | K1-Y3 HydrophobicContact CB-CE2 4.43Å; K1-Y3 HydrophobicContact CD-CE2 4Å; K1-Y3 WeakPolarHBondContact CE-OH 3.4Å; K1-Y3 HydrophobicContact CG-CE2 3.92Å; K1-Y3 PolarHBondContact NZ-OH 2.72Å; K1-Y3 VanDerWaalsContact NZ-OH 3.1Å; K1-Y3 VanDerWaalsContact O-CD2 3.23Å; K1-Y3 WeakPolarHBondContact O-CD2 3.41Å | |||
| 2 | D | 59.6 | Low | 81.7 | Confident | 99 Ų | 99 | 65 Ų | 65 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | trans | -110.2 | 109.2 | -141.2 | -56.6 | -12.6 | 0 | 0 | 0 | 109.6 | Y70 | D2-Y70 VanDerWaalsContact O-CE2 3.25Å; D2-Y70 WeakPolarHBondContact O-CE2 3.05Å | ||
| 3 | Y | 71.1 | Confident | 81.5 | Confident | 107 Ų | 107 | 65.5 Ų | 65.5 | 42% | 0.42 | 32% | 0.322 | S | S | . | . | trans | -106.7 | 138 | -171.9 | -67.9 | -80.5 | 0 | 0 | 0 | 110 | K1 R5 N24 | K1-Y3 HydrophobicContact CB-CE2 4.43Å; K1-Y3 HydrophobicContact CD-CE2 4Å; K1-Y3 WeakPolarHBondContact CE-OH 3.4Å; K1-Y3 HydrophobicContact CG-CE2 3.92Å; K1-Y3 PolarHBondContact NZ-OH 2.72Å; K1-Y3 VanDerWaalsContact NZ-OH 3.1Å; K1-Y3 VanDerWaalsContact O-CD2 3.23Å; K1-Y3 WeakPolarHBondContact O-CD2 3.41Å; Y3-R5 PolarHBondContact O-N 3.24Å; Y3-N24 WeakPolarHBondContact CB-OD1 3.12Å | ||
| 4 | L | 80.1 | Confident | 81 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | trans | -64.1 | 129.2 | 174.2 | -179.1 | 59.3 | 0 | 0 | 0 | 109.8 | I6 M22 P43 E44 Y70 | L4-I6 HydrophobicContact CD1-CG1 4.29Å; L4-I6 HydrophobicContact CD2-CD1 4.07Å; L4-I6 HydrophobicContact CD2-CG1 4.45Å; L4-I6 HydrophobicContact CG-CD1 4.25Å; L4-I6 HydrophobicContact CG-CG1 4.13Å; L4-M22 HydrophobicContact CG-CE 4.24Å; L4-M22 WeakPolarHBondContact O-CE 3.42Å; L4-P43 HydrophobicContact CD2-CB 4.14Å; L4-P43 HydrophobicContact CD2-CG 4.12Å; L4-E44 HydrophobicContact CB-CB 4.33Å; L4-E44 HydrophobicContact CD2-CB 4.04Å; L4-Y70 HydrophobicContact CB-CD2 4.04Å | ||
| 5 | R | 86.3 | Confident | 81.1 | Confident | 80 Ų | 80 | 78 Ų | 78 | 30% | 0.302 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.5 | 174.6 | 165.7 | -176.4 | -175.8 | -95.4 | 4 | 108.7 | Y3 M22 Q23 A68 T69 | Y3-R5 PolarHBondContact O-N 3.24Å; R5-M22 CarbonylContact C-O 3.54Å; R5-M22 VanDerWaalsContact CA-O 3.27Å; R5-M22 WeakPolarHBondContact CA-O 3.36Å; R5-Q23 HydrophobicContact CB-CB 4.29Å; R5-Q23 HydrophobicContact CB-CG 4.18Å; R5-Q23 HydrophobicContact CG-CB 4.21Å; R5-Q23 HydrophobicContact CG-CG 4.35Å; R5-A68 WeakPolarHBondContact O-CA 3.47Å; R5-T69 WeakPolarHBondContact CB-OG1 3.26Å; R5-T69 PolarHBondContact N-O 2.9Å; R5-T69 PolarHBondContact O-N 3.06Å; R5-T69 PolarHBondContact O-OG1 2.79Å |
| 6 | I | 88.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.5 | -177.8 | -62 | 162.4 | 0 | 0 | 0 | 108 | L4 V21 M22 P43 A49 E67 A68 | L4-I6 HydrophobicContact CD1-CG1 4.29Å; L4-I6 HydrophobicContact CD2-CD1 4.07Å; L4-I6 HydrophobicContact CD2-CG1 4.45Å; L4-I6 HydrophobicContact CG-CD1 4.25Å; L4-I6 HydrophobicContact CG-CG1 4.13Å; I6-V21 CarbonylContact O-C 3.59Å; I6-V21 WeakPolarHBondContact O-CA 3.31Å; I6-M22 HydrophobicContact CB-CB 4.42Å; I6-M22 HydrophobicContact CD1-CE 3.84Å; I6-M22 HydrophobicContact CD1-SD 4.34Å; I6-M22 HydrophobicContact CG1-CE 4.15Å; I6-M22 PolarHBondContact N-O 2.9Å; I6-M22 PolarHBondContact O-N 3.11Å; I6-P43 HydrophobicContact CD1-CB 3.75Å; I6-P43 HydrophobicContact CD1-CG 3.75Å; I6-A49 HydrophobicContact CD1-CB 3.78Å; I6-A49 HydrophobicContact CG1-CB 4.01Å; I6-A49 HydrophobicContact CG2-CB 4.03Å; I6-E67 CarbonylContact C-O 3.54Å; I6-E67 WeakPolarHBondContact CA-O 3.16Å; I6-A68 HydrophobicContact CG1-CB 4.36Å |
| 7 | K | 91.8 | Very high | 82 | Confident | 35 Ų | 35 | 79.1 Ų | 79.1 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.3 | 178 | 164.3 | 167.3 | 169 | -66.1 | 0 | 110 | T9 V21 E67 | K7-T9 PolarHBondContact NZ-OG1 3.33Å; K7-V21 HydrophobicContact CB-CG1 4.37Å; K7-V21 HydrophobicContact CB-CG2 4.03Å; K7-V21 HydrophobicContact CD-CG2 4.05Å; K7-V21 HydrophobicContact CG-CG2 3.92Å; K7-E67 HydrophobicContact CB-CB 4.24Å; K7-E67 VanDerWaalsContact CD-OE2 3.31Å; K7-E67 WeakPolarHBondContact CD-OE2 3.31Å; K7-E67 WeakPolarHBondContact CE-OE2 3.43Å; K7-E67 PolarHBondContact N-O 3.06Å; K7-E67 IonicContact NZ-OE1 3.55Å; K7-E67 PolarHBondContact NZ-OE1 2.82Å; K7-E67 IonicContact NZ-OE2 3.56Å; K7-E67 PolarHBondContact NZ-OE2 3.43Å; K7-E67 PolarHBondContact O-N 3.27Å |
| 8 | W | 93.9 | Very high | 82.5 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 7% | 0.072 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131 | 171.4 | -80.8 | 94.6 | 0 | 0 | 0 | 110.6 | V19 L20 A49 L51 S65 C66 V79 | W8-V19 HydrophobicContact CB-CB 4.15Å; W8-V19 WeakPolarHBondContact O-CB 3.26Å; W8-V19 PolarHBondContact O-N 2.78Å; W8-L20 HydrophobicContact CB-CG 4.38Å; W8-L20 PolarHBondContact N-O 2.94Å; W8-L20 PolarHBondContact O-N 3.46Å; W8-A49 PolarHBondContact NE1-O 2.8Å; W8-L51 HydrophobicContact CB-CD1 4.45Å; W8-L51 HydrophobicContact CB-CD2 4.31Å; W8-L51 HydrophobicContact CD2-CB 3.61Å; W8-L51 HydrophobicContact CD2-CD2 4.04Å; W8-L51 HydrophobicContact CD2-CG 4.34Å; W8-L51 VanDerWaalsContact CE2-CB 3.44Å; W8-L51 HydrophobicContact CE3-CB 4.1Å; W8-L51 HydrophobicContact CE3-CD2 4.01Å; W8-L51 HydrophobicContact CG-CB 3.95Å; W8-L51 HydrophobicContact CG-CD1 4.27Å; W8-L51 HydrophobicContact CG-CD2 4.18Å; W8-L51 HydrophobicContact CG-CG 4.38Å; W8-L51 HydrophobicContact CH2-CB 4.23Å; W8-L51 HydrophobicContact CZ2-CB 3.78Å; W8-L51 HydrophobicContact CZ3-CB 4.39Å; W8-S65 WeakPolarHBondContact CA-O 3.37Å; W8-C66 HydrophobicContact CD2-CB 3.96Å; W8-C66 VanDerWaalsContact CE2-SG 3.59Å; W8-C66 HydrophobicContact CE3-CB 4.06Å; W8-C66 HydrophobicContact CH2-CB 3.71Å; W8-C66 HydrophobicContact CZ2-CB 3.55Å; W8-C66 HydrophobicContact CZ3-CB 3.94Å; W8-V79 HydrophobicContact CH2-CG2 4.24Å |
| 9 | T | 94.1 | Very high | 83 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.4 | -173.9 | -44.8 | 0 | 0 | 0 | 0 | 109.6 | K7 K16 S17 Y64 S65 | K7-T9 PolarHBondContact NZ-OG1 3.33Å; T9-K16 HydrophobicContact CG2-CB 3.84Å; T9-K16 HydrophobicContact CG2-CG 4.33Å; T9-S17 CarbonylContact C-O 3.56Å; T9-S17 WeakPolarHBondContact CA-O 3.33Å; T9-S17 WeakPolarHBondContact CG2-O 3.21Å; T9-Y64 CarbonylContact O-C 3.23Å; T9-Y64 WeakPolarHBondContact O-CA 3.41Å; T9-S65 PolarHBondContact N-O 2.94Å; T9-S65 PolarHBondContact O-N 3.31Å |
| 10 | K | 93.1 | Very high | 83.4 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.8 | 170 | -176.4 | 174.4 | -173 | 153.9 | 0 | 109.1 | S17 V19 S59 D60 A61 Y64 | K10-S17 PolarHBondContact N-O 2.97Å; K10-S17 PolarHBondContact O-N 2.87Å; K10-S17 PolarHBondContact O-OG 2.94Å; K10-V19 HydrophobicContact CB-CG2 4Å; K10-S59 PolarHBondContact NZ-O 3.42Å; K10-D60 PolarHBondContact NZ-O 3.4Å; K10-A61 WeakPolarHBondContact CE-O 3.01Å; K10-A61 PolarHBondContact NZ-O 2.84Å; K10-Y64 HydrophobicContact CB-CD1 4.18Å; K10-Y64 HydrophobicContact CB-CE1 3.95Å; K10-Y64 HydrophobicContact CD-CE1 4.33Å; K10-Y64 HydrophobicContact CD-CE2 4.13Å; K10-Y64 HydrophobicContact CG-CE1 4.26Å; K10-Y64 HydrophobicContact CG-CE2 4.15Å |
| 11 | I | 91.4 | Very high | 83.7 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.7 | 179.9 | -57 | 179 | 0 | 0 | 0 | 108.6 | K16 T63 | I11-K16 HydrophobicContact CG1-CG 4.47Å; I11-T63 HydrophobicContact CB-CG2 4.39Å; I11-T63 HydrophobicContact CD1-CG2 4.45Å; I11-T63 PolarHBondContact N-O 3.2Å |
| 12 | K | 83.4 | Confident | 85.5 | Confident | 145 Ų | 145 | 58.7 Ų | 58.7 | 63% | 0.63 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 86 | 178.8 | -172.3 | -174.7 | 171.8 | -159.4 | 0 | 109.6 | Q14 E15 | K12-Q14 PolarHBondContact O-N 3.26Å; K12-E15 HydrophobicContact CB-CB 4.43Å; K12-E15 PolarHBondContact N-O 2.92Å; K12-E15 WeakPolarHBondContact O-CB 3.32Å; K12-E15 PolarHBondContact O-N 2.04Å; K12-E15 VanDerWaalsContact O-N 3.09Å |
| 13 | G | 78.9 | Confident | 86.6 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 74% | 0.742 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -121.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 14 | Q | 73.9 | Confident | 86.6 | Confident | 199 Ų | 199 | 57.7 Ų | 57.7 | 93% | 0.93 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -15.5 | 173.1 | -67.3 | -177.8 | -12.8 | 0 | 0 | 113.4 | K12 | K12-Q14 PolarHBondContact O-N 3.26Š|
| 15 | E | 82.8 | Confident | 85.9 | Confident | 119 Ų | 119 | 58.2 Ų | 58.2 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.5 | -178.6 | -168.9 | 179.5 | -158.6 | 0 | 0 | 110.5 | K12 | K12-E15 HydrophobicContact CB-CB 4.43Å; K12-E15 PolarHBondContact N-O 2.92Å; K12-E15 WeakPolarHBondContact O-CB 3.32Å; K12-E15 PolarHBondContact O-N 2.04Å; K12-E15 VanDerWaalsContact O-N 3.09Å |
| 16 | K | 87.9 | Confident | 85.1 | Confident | 138 Ų | 138 | 58.7 Ų | 58.7 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 108.4 | 175.4 | -76.2 | -168.9 | 176.2 | -171.6 | 0 | 109.6 | T9 I11 | T9-K16 HydrophobicContact CG2-CB 3.84Å; T9-K16 HydrophobicContact CG2-CG 4.33Å; I11-K16 HydrophobicContact CG1-CG 4.47Å |
| 17 | S | 89.1 | Confident | 84.5 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.2 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | T9 K10 V19 | T9-S17 CarbonylContact C-O 3.56Å; T9-S17 WeakPolarHBondContact CA-O 3.33Å; T9-S17 WeakPolarHBondContact CG2-O 3.21Å; K10-S17 PolarHBondContact N-O 2.97Å; K10-S17 PolarHBondContact O-N 2.87Å; K10-S17 PolarHBondContact O-OG 2.94Å; S17-V19 PolarHBondContact O-N 3.27Å |
| 18 | T | 91.6 | Very high | 84 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 132.8 | 174.3 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | V21 N30 | T18-V21 HydrophobicContact CG2-CG2 3.73Å; T18-N30 WeakPolarHBondContact O-CB 3.44Å; T18-N30 PolarHBondContact O-ND2 3.42Å |
| 19 | V | 91.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -58.8 | 172.3 | 180 | 0 | 0 | 0 | 0 | 108.3 | W8 K10 S17 M29 N30 Y33 V37 L51 Y64 | W8-V19 HydrophobicContact CB-CB 4.15Å; W8-V19 WeakPolarHBondContact O-CB 3.26Å; W8-V19 PolarHBondContact O-N 2.78Å; K10-V19 HydrophobicContact CB-CG2 4Å; S17-V19 PolarHBondContact O-N 3.27Å; V19-M29 VanDerWaalsContact O-CG 3.32Å; V19-M29 WeakPolarHBondContact O-CG 3.39Å; V19-N30 PolarHBondContact O-N 2.81Å; V19-Y33 HydrophobicContact CB-CD2 4.26Å; V19-Y33 HydrophobicContact CB-CE2 4.12Å; V19-Y33 HydrophobicContact CG1-CD1 4.36Å; V19-Y33 HydrophobicContact CG1-CD2 3.79Å; V19-Y33 HydrophobicContact CG1-CE2 3.99Å; V19-Y33 HydrophobicContact CG1-CG 3.99Å; V19-Y33 HydrophobicContact CG2-CE2 3.9Å; V19-V37 HydrophobicContact CG1-CG1 4.23Å; V19-V37 HydrophobicContact CG1-CG2 4.34Å; V19-L51 HydrophobicContact CG1-CD1 4.22Å; V19-L51 HydrophobicContact CG1-CD2 4.18Å; V19-Y64 HydrophobicContact CG2-CD1 3.94Å; V19-Y64 HydrophobicContact CG2-CE1 3.71Å |
| 20 | L | 91.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 156.4 | 170.9 | 68.2 | 86.4 | 0 | 0 | 0 | 111.8 | W8 I27 K28 M29 V37 V39 L51 | W8-L20 HydrophobicContact CB-CG 4.38Å; W8-L20 PolarHBondContact N-O 2.94Å; W8-L20 PolarHBondContact O-N 3.46Å; L20-I27 HydrophobicContact CB-CG2 3.82Å; L20-I27 HydrophobicContact CD1-CG2 4.01Å; L20-I27 HydrophobicContact CG-CG2 4.36Å; L20-K28 CarbonylContact C-O 3.49Å; L20-K28 VanDerWaalsContact CA-O 3.31Å; L20-K28 WeakPolarHBondContact CA-O 3.33Å; L20-M29 HydrophobicContact CB-CB 4.26Å; L20-M29 HydrophobicContact CB-CG 4.08Å; L20-V37 HydrophobicContact CD2-CB 4.36Å; L20-V37 HydrophobicContact CD2-CG2 3.86Å; L20-V39 HydrophobicContact CD1-CG1 3.91Å; L20-V39 HydrophobicContact CD1-CG2 4.41Å; L20-V39 HydrophobicContact CD2-CG1 4.23Å; L20-L51 HydrophobicContact CD2-CD1 3.59Å; L20-L51 HydrophobicContact CG-CD1 4.34Å |
| 21 | V | 89.8 | Confident | 82.3 | Confident | 30 Ų | 30 | 72 Ų | 72 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 117.7 | 166.6 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | I6 K7 T18 I27 K28 | I6-V21 CarbonylContact O-C 3.59Å; I6-V21 WeakPolarHBondContact O-CA 3.31Å; K7-V21 HydrophobicContact CB-CG1 4.37Å; K7-V21 HydrophobicContact CB-CG2 4.03Å; K7-V21 HydrophobicContact CD-CG2 4.05Å; K7-V21 HydrophobicContact CG-CG2 3.92Å; T18-V21 HydrophobicContact CG2-CG2 3.73Å; V21-I27 CarbonylContact O-C 3.56Å; V21-I27 WeakPolarHBondContact O-CA 3.06Å; V21-K28 PolarHBondContact N-O 2.8Å; V21-K28 PolarHBondContact O-N 2.62Å |
| 22 | M | 84.7 | Confident | 81.7 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.1 | 168 | -172.3 | -154.3 | 76.8 | 0 | 0 | 109.6 | L4 R5 I6 V26 I27 V39 P43 | L4-M22 HydrophobicContact CG-CE 4.24Å; L4-M22 WeakPolarHBondContact O-CE 3.42Å; R5-M22 CarbonylContact C-O 3.54Å; R5-M22 VanDerWaalsContact CA-O 3.27Å; R5-M22 WeakPolarHBondContact CA-O 3.36Å; I6-M22 HydrophobicContact CB-CB 4.42Å; I6-M22 HydrophobicContact CD1-CE 3.84Å; I6-M22 HydrophobicContact CD1-SD 4.34Å; I6-M22 HydrophobicContact CG1-CE 4.15Å; I6-M22 PolarHBondContact N-O 2.9Å; I6-M22 PolarHBondContact O-N 3.11Å; M22-V26 CarbonylContact C-O 3.58Å; M22-V26 WeakPolarHBondContact CA-O 3.06Å; M22-I27 HydrophobicContact CB-CG1 3.89Å; M22-I27 HydrophobicContact CG-CG1 3.78Å; M22-V39 HydrophobicContact CB-CG2 4.48Å; M22-V39 HydrophobicContact SD-CG2 4.42Å; M22-P43 HydrophobicContact CE-CG 3.64Å; M22-P43 HydrophobicContact SD-CG 3.42Å; M22-P43 WeakPolarHBondContact SD-CG 3.45Å |
| 23 | Q | 82.1 | Confident | 81.7 | Confident | 95 Ų | 95 | 68.1 Ų | 68.1 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 131 | 170.8 | -177.3 | 167.6 | -2.3 | 0 | 0 | 110 | R5 G25 V26 | R5-Q23 HydrophobicContact CB-CB 4.29Å; R5-Q23 HydrophobicContact CB-CG 4.18Å; R5-Q23 HydrophobicContact CG-CB 4.21Å; R5-Q23 HydrophobicContact CG-CG 4.35Å; Q23-G25 VanDerWaalsContact C-N 3.27Å; Q23-G25 PolarHBondContact O-N 3.3Å; Q23-V26 PolarHBondContact N-O 3.48Å; Q23-V26 PolarHBondContact O-N 3.16Å; Q23-V26 VanDerWaalsContact O-N 3.08Å |
| 24 | N | 72 | Confident | 81.5 | Confident | 90 Ų | 90 | 71 Ų | 71 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 38.2 | -179.4 | -55 | 15.7 | 0 | 0 | 0 | 113.4 | Y3 V26 | Y3-N24 WeakPolarHBondContact CB-OD1 3.12Å; N24-V26 PolarHBondContact O-N 2.74Å |
| 25 | G | 65.9 | Low | 81.3 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -24.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q23 M1067 | Q23-G25 VanDerWaalsContact C-N 3.27Å; Q23-G25 PolarHBondContact O-N 3.3Å; G25-M1067 VanDerWaalsContact O-CE 3.25Å; G25-M1067 WeakPolarHBondContact O-CE 3.25Å |
| 26 | V | 69.4 | Low | 81.1 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.5 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | M22 Q23 N24 | M22-V26 CarbonylContact C-O 3.58Å; M22-V26 WeakPolarHBondContact CA-O 3.06Å; Q23-V26 PolarHBondContact N-O 3.48Å; Q23-V26 PolarHBondContact O-N 3.16Å; Q23-V26 VanDerWaalsContact O-N 3.08Å; N24-V26 PolarHBondContact O-N 2.74Å |
| 27 | I | 76 | Confident | 81 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.6 | 168.9 | -51.1 | 174.2 | 0 | 0 | 0 | 111.3 | L20 V21 M22 V39 M1067 F1068 | L20-I27 HydrophobicContact CB-CG2 3.82Å; L20-I27 HydrophobicContact CD1-CG2 4.01Å; L20-I27 HydrophobicContact CG-CG2 4.36Å; V21-I27 CarbonylContact O-C 3.56Å; V21-I27 WeakPolarHBondContact O-CA 3.06Å; M22-I27 HydrophobicContact CB-CG1 3.89Å; M22-I27 HydrophobicContact CG-CG1 3.78Å; I27-V39 HydrophobicContact CD1-CG2 3.61Å; I27-M1067 HydrophobicContact CD1-CB 4.14Å; I27-M1067 HydrophobicContact CD1-CE 3.61Å; I27-M1067 HydrophobicContact CG1-CE 3.81Å; I27-F1068 HydrophobicContact CB-CE1 3.6Å; I27-F1068 HydrophobicContact CB-CE2 4.46Å; I27-F1068 HydrophobicContact CB-CZ 3.5Å; I27-F1068 HydrophobicContact CD1-CE2 4.12Å; I27-F1068 HydrophobicContact CD1-CZ 3.85Å; I27-F1068 HydrophobicContact CG1-CZ 4.27Å; I27-F1068 HydrophobicContact CG2-CE1 3.66Å; I27-F1068 HydrophobicContact CG2-CZ 3.41Å; I27-F1068 VanDerWaalsContact CG2-CZ 3.41Å |
| 28 | K | 79.8 | Confident | 80.5 | Confident | 161 Ų | 161 | 52.2 Ų | 52.2 | 70% | 0.7 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.9 | 165.6 | -63.8 | -174.6 | 179.3 | -176.4 | 0 | 108.9 | L20 V21 | L20-K28 CarbonylContact C-O 3.49Å; L20-K28 VanDerWaalsContact CA-O 3.31Å; L20-K28 WeakPolarHBondContact CA-O 3.33Å; V21-K28 PolarHBondContact N-O 2.8Å; V21-K28 PolarHBondContact O-N 2.62Å |
| 29 | M | 82.8 | Confident | 79.8 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 16% | 0.158 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145.7 | -179.5 | -165.2 | -154.8 | -59.1 | 0 | 0 | 111.4 | V19 L20 R34 V37 F1068 | V19-M29 VanDerWaalsContact O-CG 3.32Å; V19-M29 WeakPolarHBondContact O-CG 3.39Å; L20-M29 HydrophobicContact CB-CB 4.26Å; L20-M29 HydrophobicContact CB-CG 4.08Å; M29-R34 WeakPolarHBondContact SD-CA 3.33Å; M29-R34 HydrophobicContact SD-CB 4.3Å; M29-R34 PolarHBondContact SD-N 2.86Å; M29-V37 HydrophobicContact CE-CG2 3.65Å; M29-V37 HydrophobicContact CG-CG2 3.8Å; M29-V37 HydrophobicContact SD-CG2 3.42Å; M29-V37 WeakPolarHBondContact SD-CG2 3.5Å; M29-F1068 HydrophobicContact CB-CD1 4.39Å; M29-F1068 HydrophobicContact CB-CE1 3.52Å; M29-F1068 HydrophobicContact CB-CZ 3.88Å; M29-F1068 HydrophobicContact CE-CD1 4.17Å; M29-F1068 HydrophobicContact CE-CD2 3.84Å; M29-F1068 HydrophobicContact CE-CE1 3.65Å; M29-F1068 HydrophobicContact CE-CE2 3.28Å; M29-F1068 HydrophobicContact CE-CG 4.25Å; M29-F1068 HydrophobicContact CE-CZ 3.16Å; M29-F1068 HydrophobicContact CG-CZ 4.49Å |
| 30 | N | 82.5 | Confident | 78.8 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | trans | -71.9 | 127.1 | 169.9 | 173.8 | -11.4 | 0 | 0 | 0 | 110.1 | T18 V19 I32 Y33 | T18-N30 WeakPolarHBondContact O-CB 3.44Å; T18-N30 PolarHBondContact O-ND2 3.42Å; V19-N30 PolarHBondContact O-N 2.81Å; N30-I32 PolarHBondContact O-N 2.95Å; N30-I32 PolarHBondContact OD1-N 2.73Å; N30-Y33 HydrophobicContact CB-CD2 4.09Å; N30-Y33 HydrophobicContact CB-CE2 4.49Å; N30-Y33 PolarHBondContact O-N 2.97Å | ||
| 31 | P | 81.4 | Confident | 77.1 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 69% | 0.688 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -51.4 | -28.3 | -171.7 | -31.8 | 36.3 | 0 | 0 | 0 | 116.7 | Y33 R34 | P31-Y33 PolarHBondContact O-N 3.01Å; P31-Y33 VanDerWaalsContact O-N 3.13Å; P31-R34 WeakPolarHBondContact O-CB 3.26Å; P31-R34 PolarHBondContact O-N 3.47Å; P31-R34 VanDerWaalsContact O-N 3.08Å |
| 32 | I | 79 | Confident | 75.8 | Confident | 94 Ų | 94 | 52.1 Ų | 52.1 | 48% | 0.482 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -66.4 | -13.9 | 179.9 | 72.6 | -175.3 | 0 | 0 | 0 | 113.9 | N30 R36 | N30-I32 PolarHBondContact O-N 2.95Å; N30-I32 PolarHBondContact OD1-N 2.73Å; I32-R36 PolarHBondContact O-NE 2.86Å; I32-R36 PolarHBondContact O-NH2 2.88Å; I32-R36 VanDerWaalsContact O-NH2 3.11Å |
| 33 | Y | 82.7 | Confident | 74.8 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -108.2 | -0 | 176.1 | -55.4 | -72.9 | 0 | 0 | 0 | 113.4 | V19 N30 P31 N35 R36 V37 M53 | V19-Y33 HydrophobicContact CB-CD2 4.26Å; V19-Y33 HydrophobicContact CB-CE2 4.12Å; V19-Y33 HydrophobicContact CG1-CD1 4.36Å; V19-Y33 HydrophobicContact CG1-CD2 3.79Å; V19-Y33 HydrophobicContact CG1-CE2 3.99Å; V19-Y33 HydrophobicContact CG1-CG 3.99Å; V19-Y33 HydrophobicContact CG2-CE2 3.9Å; N30-Y33 HydrophobicContact CB-CD2 4.09Å; N30-Y33 HydrophobicContact CB-CE2 4.49Å; N30-Y33 PolarHBondContact O-N 2.97Å; P31-Y33 PolarHBondContact O-N 3.01Å; P31-Y33 VanDerWaalsContact O-N 3.13Å; Y33-N35 PolarHBondContact O-N 2.87Å; Y33-R36 CarbonylContact O-C 3.59Å; Y33-R36 WeakPolarHBondContact O-CA 3.4Å; Y33-R36 VanDerWaalsContact O-CB 3.3Å; Y33-R36 WeakPolarHBondContact O-CB 3.4Å; Y33-R36 PolarHBondContact O-N 3.1Å; Y33-V37 HydrophobicContact CD1-CG1 4.24Å; Y33-V37 HydrophobicContact CG-CG1 4.38Å; Y33-V37 PolarHBondContact O-N 2.81Å; Y33-V37 VanDerWaalsContact O-N 3.15Å; Y33-M53 HydrophobicContact CD1-CE 3.99Å; Y33-M53 HydrophobicContact CE1-CE 3.99Å |
| 34 | R | 75.4 | Confident | 74.1 | Confident | 134 Ų | 134 | 51.8 Ų | 51.8 | 51% | 0.506 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 134 | -177.4 | -178.9 | 159.6 | -171.4 | 173.8 | 6.4 | 111.1 | M29 P31 R36 D1069 | M29-R34 WeakPolarHBondContact SD-CA 3.33Å; M29-R34 HydrophobicContact SD-CB 4.3Å; M29-R34 PolarHBondContact SD-N 2.86Å; P31-R34 WeakPolarHBondContact O-CB 3.26Å; P31-R34 PolarHBondContact O-N 3.47Å; P31-R34 VanDerWaalsContact O-N 3.08Å; R34-R36 PolarHBondContact O-N 2.77Å; R34-R36 VanDerWaalsContact O-N 3.17Å; R34-D1069 PolarHBondContact NH2-O 3.11Å |
| 35 | N | 68.6 | Low | 73.4 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23.2 | -172.3 | -51.4 | 37.8 | 0 | 0 | 0 | 113.8 | Y33 K55 D1071 | Y33-N35 PolarHBondContact O-N 2.87Å; N35-K55 PolarHBondContact O-NZ 3.26Å; N35-D1071 VanDerWaalsContact CA-OD2 3.23Å; N35-D1071 WeakPolarHBondContact CA-OD2 3.41Å; N35-D1071 PolarHBondContact N-OD2 3.36Å; N35-D1071 PolarHBondContact OD1-OD2 3.5Å |
| 36 | R | 80.1 | Confident | 72.9 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -22.1 | 176.2 | -50.9 | -162.4 | -53 | 117.2 | 0.1 | 115.2 | I32 Y33 R34 M53 V54 K55 D60 | I32-R36 PolarHBondContact O-NE 2.86Å; I32-R36 PolarHBondContact O-NH2 2.88Å; I32-R36 VanDerWaalsContact O-NH2 3.11Å; Y33-R36 CarbonylContact O-C 3.59Å; Y33-R36 WeakPolarHBondContact O-CA 3.4Å; Y33-R36 VanDerWaalsContact O-CB 3.3Å; Y33-R36 WeakPolarHBondContact O-CB 3.4Å; Y33-R36 PolarHBondContact O-N 3.1Å; R34-R36 PolarHBondContact O-N 2.77Å; R34-R36 VanDerWaalsContact O-N 3.17Å; R36-M53 CarbonylContact O-C 3.55Å; R36-M53 WeakPolarHBondContact O-CA 3.39Å; R36-V54 WeakPolarHBondContact CB-O 3.19Å; R36-V54 WeakPolarHBondContact O-CG2 3.32Å; R36-V54 PolarHBondContact O-N 3.31Å; R36-K55 HydrophobicContact CG-CB 4.46Å; R36-K55 HydrophobicContact CG-CD 4.41Å; R36-K55 PolarHBondContact NH1-O 3.31Å; R36-D60 IonicContact CZ-OD1 2.66Å; R36-D60 IonicContact CZ-OD2 2.82Å; R36-D60 IonicContact NH1-OD1 2.67Å; R36-D60 PolarHBondContact NH1-OD1 3.39Å; R36-D60 IonicContact NH1-OD2 2.96Å; R36-D60 PolarHBondContact NH1-OD2 3.38Å; R36-D60 IonicContact NH2-OD1 2.68Å; R36-D60 PolarHBondContact NH2-OD1 2.6Å; R36-D60 IonicContact NH2-OD2 3.93Å |
| 37 | V | 84.1 | Confident | 72.7 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 152.8 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 114.1 | V19 L20 M29 Y33 L51 T52 M53 R1073 | V19-V37 HydrophobicContact CG1-CG1 4.23Å; V19-V37 HydrophobicContact CG1-CG2 4.34Å; L20-V37 HydrophobicContact CD2-CB 4.36Å; L20-V37 HydrophobicContact CD2-CG2 3.86Å; M29-V37 HydrophobicContact CE-CG2 3.65Å; M29-V37 HydrophobicContact CG-CG2 3.8Å; M29-V37 HydrophobicContact SD-CG2 3.42Å; M29-V37 WeakPolarHBondContact SD-CG2 3.5Å; Y33-V37 HydrophobicContact CD1-CG1 4.24Å; Y33-V37 HydrophobicContact CG-CG1 4.38Å; Y33-V37 PolarHBondContact O-N 2.81Å; Y33-V37 VanDerWaalsContact O-N 3.15Å; V37-L51 HydrophobicContact CB-CD1 3.88Å; V37-L51 HydrophobicContact CG1-CD1 4.08Å; V37-T52 CarbonylContact C-O 3.57Å; V37-T52 VanDerWaalsContact CA-O 3.28Å; V37-T52 WeakPolarHBondContact CA-O 3.29Å; V37-M53 HydrophobicContact CG1-CB 4.08Å; V37-M53 HydrophobicContact CG1-CE 3.5Å; V37-M53 VanDerWaalsContact CG1-CE 3.5Å; V37-M53 HydrophobicContact CG1-CG 3.77Å; V37-M53 HydrophobicContact CG1-SD 4.38Å; V37-R1073 PolarHBondContact O-NH1 3.29Å; V37-R1073 PolarHBondContact O-NH2 2.96Å |
| 38 | S | 78.4 | Confident | 72.4 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 161.9 | 168.6 | 73 | 0 | 0 | 0 | 0 | 111.8 | T52 | S38-T52 PolarHBondContact N-O 3.09Å; S38-T52 PolarHBondContact O-N 3.34Å; S38-T52 WeakPolarHBondContact OG-CB 3.41Å |
| 39 | V | 78.3 | Confident | 72.3 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | trans | -115.1 | 167.4 | 152.6 | -72.6 | 0 | 0 | 0 | 0 | 107.3 | L20 M22 I27 | L20-V39 HydrophobicContact CD1-CG1 3.91Å; L20-V39 HydrophobicContact CD1-CG2 4.41Å; L20-V39 HydrophobicContact CD2-CG1 4.23Å; M22-V39 HydrophobicContact CB-CG2 4.48Å; M22-V39 HydrophobicContact SD-CG2 4.42Å; I27-V39 HydrophobicContact CD1-CG2 3.61Å | ||
| 40 | P | 69.1 | Low | 72.1 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 20% | 0.195 | 27% | 0.265 | C | S | . | . | trans | -52.4 | 147.4 | 170.8 | -27.3 | 36.2 | 0 | 0 | 0 | 112.1 | H42 P43 D48 S50 | P40-H42 VanDerWaalsContact C-N 3.28Å; P40-H42 PolarHBondContact O-N 3.41Å; P40-P43 HydrophobicContact CB-CB 4.4Å; P40-P43 WeakPolarHBondContact O-CD 3.4Å; P40-D48 HydrophobicContact CG-CB 4.28Å; P40-S50 WeakPolarHBondContact CD-O 3.49Å | ||
| 41 | S | 57.2 | Low | 72.2 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -71.6 | -19.4 | -177.7 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | R1033 | S41-R1033 PolarHBondContact OG-NH2 3.3Š|
| 42 | H | 61.7 | Low | 72 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -141.7 | 66 | -179.8 | -63.3 | 79.4 | 0 | 0 | 0 | 109.7 | P40 E44 D45 V46 D1026 | P40-H42 VanDerWaalsContact C-N 3.28Å; P40-H42 PolarHBondContact O-N 3.41Å; H42-E44 VanDerWaalsContact C-N 3.29Å; H42-E44 WeakPolarHBondContact CA-OE1 3.25Å; H42-E44 PolarHBondContact O-N 2.84Å; H42-D45 HydrophobicContact CB-CB 4.5Å; H42-D45 PolarHBondContact O-N 3.45Å; H42-V46 WeakPolarHBondContact O-CG2 3.37Å; H42-V46 PolarHBondContact O-N 2.03Å; H42-D1026 IonicContact NE2-OD1 3.44Å |
| 43 | P | 64.9 | Low | 72.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.7 | -23.7 | -169.2 | 28.2 | -32.7 | 0 | 0 | 0 | 113.3 | L4 I6 M22 P40 V46 G47 D48 | L4-P43 HydrophobicContact CD2-CB 4.14Å; L4-P43 HydrophobicContact CD2-CG 4.12Å; I6-P43 HydrophobicContact CD1-CB 3.75Å; I6-P43 HydrophobicContact CD1-CG 3.75Å; M22-P43 HydrophobicContact CE-CG 3.64Å; M22-P43 HydrophobicContact SD-CG 3.42Å; M22-P43 WeakPolarHBondContact SD-CG 3.45Å; P40-P43 HydrophobicContact CB-CB 4.4Å; P40-P43 WeakPolarHBondContact O-CD 3.4Å; P43-V46 PolarHBondContact O-N 2.94Å; P43-G47 WeakPolarHBondContact O-CA 3.48Å; P43-G47 PolarHBondContact O-N 3.38Å; P43-D48 WeakPolarHBondContact CB-O 3.19Å; P43-D48 PolarHBondContact O-N 2.83Å |
| 44 | E | 66.8 | Low | 71.7 | Confident | 89 Ų | 89 | 44.2 Ų | 44.2 | 42% | 0.416 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 173 | 57.4 | -66.3 | 140.9 | 0 | 0 | 113.6 | L4 H42 | L4-E44 HydrophobicContact CB-CB 4.33Å; L4-E44 HydrophobicContact CD2-CB 4.04Å; H42-E44 VanDerWaalsContact C-N 3.29Å; H42-E44 WeakPolarHBondContact CA-OE1 3.25Å; H42-E44 PolarHBondContact O-N 2.84Å |
| 45 | D | 57.2 | Low | 71.6 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.6 | -36.4 | 174.9 | -78.9 | -16.6 | 0 | 0 | 0 | 111.2 | H42 R1030 | H42-D45 HydrophobicContact CB-CB 4.5Å; H42-D45 PolarHBondContact O-N 3.45Å; D45-R1030 IonicContact OD2-NE 3.53Å |
| 46 | V | 56.1 | Low | 72.1 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 21% | 0.212 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -85.2 | -24.9 | -171.4 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | H42 P43 D48 R1033 | H42-V46 WeakPolarHBondContact O-CG2 3.37Å; H42-V46 PolarHBondContact O-N 2.03Å; P43-V46 PolarHBondContact O-N 2.94Å; V46-D48 VanDerWaalsContact C-N 3.34Å; V46-D48 HydrophobicContact CB-CB 4.35Å; V46-D48 HydrophobicContact CG1-CB 3.61Å; V46-R1033 VanDerWaalsContact CG2-NH1 3.34Å |
| 47 | G | 65 | Low | 72.4 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 54% | 0.536 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 29.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | P43 | P43-G47 WeakPolarHBondContact O-CA 3.48Å; P43-G47 PolarHBondContact O-N 3.38Å |
| 48 | D | 68.3 | Low | 72.2 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | trans | -132.2 | 119.3 | -168.3 | -177.5 | 11.4 | 0 | 0 | 0 | 111.8 | P40 P43 V46 S50 | P40-D48 HydrophobicContact CG-CB 4.28Å; P43-D48 WeakPolarHBondContact CB-O 3.19Å; P43-D48 PolarHBondContact O-N 2.83Å; V46-D48 VanDerWaalsContact C-N 3.34Å; V46-D48 HydrophobicContact CB-CB 4.35Å; V46-D48 HydrophobicContact CG1-CB 3.61Å; D48-S50 WeakPolarHBondContact OD1-CB 3.38Å; D48-S50 PolarHBondContact OD1-N 3.45Å; D48-S50 PolarHBondContact OD1-OG 2.87Å | ||
| 49 | A | 78.8 | Confident | 72.5 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | trans | -103.9 | 13.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I6 W8 A68 | I6-A49 HydrophobicContact CD1-CB 3.78Å; I6-A49 HydrophobicContact CG1-CB 4.01Å; I6-A49 HydrophobicContact CG2-CB 4.03Å; W8-A49 PolarHBondContact NE1-O 2.8Å; A49-A68 HydrophobicContact CB-CB 4.4Å | ||
| 50 | S | 78.6 | Confident | 72.9 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | trans | -58.8 | 134 | -173.3 | -64.1 | 0 | 0 | 0 | 0 | 113.7 | P40 D48 | P40-S50 WeakPolarHBondContact CD-O 3.49Å; D48-S50 WeakPolarHBondContact OD1-CB 3.38Å; D48-S50 PolarHBondContact OD1-N 3.45Å; D48-S50 PolarHBondContact OD1-OG 2.87Å | ||
| 51 | L | 83.8 | Confident | 73.7 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | trans | -86.6 | 110.2 | 169.1 | 179.1 | 72 | 0 | 0 | 0 | 109.6 | W8 V19 L20 V37 M53 Y64 | W8-L51 HydrophobicContact CB-CD1 4.45Å; W8-L51 HydrophobicContact CB-CD2 4.31Å; W8-L51 HydrophobicContact CD2-CB 3.61Å; W8-L51 HydrophobicContact CD2-CD2 4.04Å; W8-L51 HydrophobicContact CD2-CG 4.34Å; W8-L51 VanDerWaalsContact CE2-CB 3.44Å; W8-L51 HydrophobicContact CE3-CB 4.1Å; W8-L51 HydrophobicContact CE3-CD2 4.01Å; W8-L51 HydrophobicContact CG-CB 3.95Å; W8-L51 HydrophobicContact CG-CD1 4.27Å; W8-L51 HydrophobicContact CG-CD2 4.18Å; W8-L51 HydrophobicContact CG-CG 4.38Å; W8-L51 HydrophobicContact CH2-CB 4.23Å; W8-L51 HydrophobicContact CZ2-CB 3.78Å; W8-L51 HydrophobicContact CZ3-CB 4.39Å; V19-L51 HydrophobicContact CG1-CD1 4.22Å; V19-L51 HydrophobicContact CG1-CD2 4.18Å; L20-L51 HydrophobicContact CD2-CD1 3.59Å; L20-L51 HydrophobicContact CG-CD1 4.34Å; V37-L51 HydrophobicContact CB-CD1 3.88Å; V37-L51 HydrophobicContact CG1-CD1 4.08Å; L51-M53 HydrophobicContact CD2-CE 4.29Å; L51-Y64 HydrophobicContact CD2-CD1 3.93Å; L51-Y64 HydrophobicContact CD2-CE1 4.23Å | ||
| 52 | T | 78.5 | Confident | 75.1 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.2 | 167.3 | -65 | 0 | 0 | 0 | 0 | 108.8 | V37 S38 V54 | V37-T52 CarbonylContact C-O 3.57Å; V37-T52 VanDerWaalsContact CA-O 3.28Å; V37-T52 WeakPolarHBondContact CA-O 3.29Å; S38-T52 PolarHBondContact N-O 3.09Å; S38-T52 PolarHBondContact O-N 3.34Å; S38-T52 WeakPolarHBondContact OG-CB 3.41Å; T52-V54 HydrophobicContact CG2-CG1 4.33Å |
| 53 | M | 80.4 | Confident | 76.4 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.8 | 175.2 | -169 | 176.5 | -67.7 | 0 | 0 | 110.2 | Y33 R36 V37 L51 L56 D60 Y64 L81 | Y33-M53 HydrophobicContact CD1-CE 3.99Å; Y33-M53 HydrophobicContact CE1-CE 3.99Å; R36-M53 CarbonylContact O-C 3.55Å; R36-M53 WeakPolarHBondContact O-CA 3.39Å; V37-M53 HydrophobicContact CG1-CB 4.08Å; V37-M53 HydrophobicContact CG1-CE 3.5Å; V37-M53 VanDerWaalsContact CG1-CE 3.5Å; V37-M53 HydrophobicContact CG1-CG 3.77Å; V37-M53 HydrophobicContact CG1-SD 4.38Å; L51-M53 HydrophobicContact CD2-CE 4.29Å; M53-L56 HydrophobicContact CB-CD2 4.12Å; M53-L56 HydrophobicContact CG-CD2 3.75Å; M53-L56 HydrophobicContact SD-CD2 3.63Å; M53-D60 HydrophobicContact SD-CB 3.79Å; M53-Y64 HydrophobicContact CE-CE1 3.9Å; M53-L81 HydrophobicContact SD-CD2 4.08Å |
| 54 | V | 75 | Confident | 77.8 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | trans | -117.6 | 161.3 | 178.6 | -59.7 | 0 | 0 | 0 | 0 | 110 | R36 T52 L56 | R36-V54 WeakPolarHBondContact CB-O 3.19Å; R36-V54 WeakPolarHBondContact O-CG2 3.32Å; R36-V54 PolarHBondContact O-N 3.31Å; T52-V54 HydrophobicContact CG2-CG1 4.33Å; V54-L56 VanDerWaalsContact C-N 3.3Å; V54-L56 PolarHBondContact O-N 3.37Å | ||
| 55 | K | 72.7 | Confident | 79 | Confident | 133 Ų | 133 | 47.5 Ų | 47.5 | 58% | 0.578 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 54.5 | 51.1 | -175.1 | -50.9 | 157.4 | -168 | 160.9 | 0 | 109.8 | N35 R36 | N35-K55 PolarHBondContact O-NZ 3.26Å; R36-K55 HydrophobicContact CG-CB 4.46Å; R36-K55 HydrophobicContact CG-CD 4.41Å; R36-K55 PolarHBondContact NH1-O 3.31Å |
| 56 | L | 79.9 | Confident | 80.7 | Confident | 74 Ų | 74 | 43.9 Ų | 43.9 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | trans | -57.1 | 136.6 | 177.7 | -73 | 172.8 | 0 | 0 | 0 | 110.2 | M53 V54 D60 L81 V83 | M53-L56 HydrophobicContact CB-CD2 4.12Å; M53-L56 HydrophobicContact CG-CD2 3.75Å; M53-L56 HydrophobicContact SD-CD2 3.63Å; V54-L56 VanDerWaalsContact C-N 3.3Å; V54-L56 PolarHBondContact O-N 3.37Å; L56-D60 HydrophobicContact CD2-CB 4.4Å; L56-L81 HydrophobicContact CD2-CD2 4.03Å; L56-V83 HydrophobicContact CB-CG1 4.43Å | ||
| 57 | R | 85 | Confident | 82.3 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | trans | -115.4 | 157.6 | 170.2 | -46.8 | 179.9 | -174 | 136 | -5 | 108.6 | S59 D60 E126 D127 | R57-S59 PolarHBondContact O-N 2.98Å; R57-D60 PolarHBondContact N-OD2 3.28Å; R57-D60 VanDerWaalsContact O-CB 3.32Å; R57-D60 WeakPolarHBondContact O-CB 3.31Å; R57-D60 PolarHBondContact O-N 3.35Å; R57-E126 IonicContact CZ-OE2 3.8Å; R57-E126 VanDerWaalsContact NE-CB 3.34Å; R57-E126 IonicContact NE-OE2 2.68Å; R57-E126 PolarHBondContact NE-OE2 2.88Å; R57-E126 IonicContact NH2-OE2 3.29Å; R57-E126 PolarHBondContact NH2-OE2 2.78Å; R57-D127 WeakPolarHBondContact CB-OD1 3.06Å | ||
| 58 | A | 81.2 | Confident | 83.5 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -71.2 | -15.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D60 D127 R224 | A58-D60 VanDerWaalsContact C-N 3.32Å; A58-D127 VanDerWaalsContact CA-OD2 3.25Å; A58-D127 WeakPolarHBondContact CA-OD2 3.3Å; A58-D127 WeakPolarHBondContact CB-OD2 3.26Å; A58-D127 PolarHBondContact N-OD2 3.3Å; A58-R224 VanDerWaalsContact CB-NH2 3.32Å |
| 59 | S | 83.6 | Confident | 84.2 | Confident | 70 Ų | 70 | 41.5 Ų | 41.5 | 49% | 0.49 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -74.3 | -14 | 165.5 | 66.9 | 0 | 0 | 0 | 0 | 114.7 | K10 R57 A61 D127 | K10-S59 PolarHBondContact NZ-O 3.42Å; R57-S59 PolarHBondContact O-N 2.98Å; S59-A61 VanDerWaalsContact C-N 3.3Å; S59-D127 WeakPolarHBondContact CB-OD1 2.98Å; S59-D127 PolarHBondContact N-OD1 3.2Å; S59-D127 PolarHBondContact N-OD2 3.1Å; S59-D127 PolarHBondContact OG-OD1 3.38Å |
| 60 | D | 87.4 | Confident | 84.3 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -75.2 | -18.4 | 172.8 | -62.2 | -54.7 | 0 | 0 | 0 | 112.2 | K10 R36 M53 L56 R57 A58 Y64 L81 | K10-D60 PolarHBondContact NZ-O 3.4Å; R36-D60 IonicContact CZ-OD1 2.66Å; R36-D60 IonicContact CZ-OD2 2.82Å; R36-D60 IonicContact NH1-OD1 2.67Å; R36-D60 PolarHBondContact NH1-OD1 3.39Å; R36-D60 IonicContact NH1-OD2 2.96Å; R36-D60 PolarHBondContact NH1-OD2 3.38Å; R36-D60 IonicContact NH2-OD1 2.68Å; R36-D60 PolarHBondContact NH2-OD1 2.6Å; R36-D60 IonicContact NH2-OD2 3.93Å; M53-D60 HydrophobicContact SD-CB 3.79Å; L56-D60 HydrophobicContact CD2-CB 4.4Å; R57-D60 PolarHBondContact N-OD2 3.28Å; R57-D60 VanDerWaalsContact O-CB 3.32Å; R57-D60 WeakPolarHBondContact O-CB 3.31Å; R57-D60 PolarHBondContact O-N 3.35Å; A58-D60 VanDerWaalsContact C-N 3.32Å; D60-Y64 WeakPolarHBondContact O-CE2 3.33Å; D60-Y64 PolarHBondContact O-OH 3.46Å; D60-L81 HydrophobicContact CB-CD2 4.21Å |
| 61 | A | 85.6 | Confident | 84.2 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | trans | -55.4 | 141.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K10 S59 L81 V83 | K10-A61 WeakPolarHBondContact CE-O 3.01Å; K10-A61 PolarHBondContact NZ-O 2.84Å; S59-A61 VanDerWaalsContact C-N 3.3Å; A61-L81 CarbonylContact C-O 3.52Å; A61-L81 VanDerWaalsContact CA-O 3.31Å; A61-L81 WeakPolarHBondContact CA-O 3.33Å; A61-V83 HydrophobicContact CB-CB 4.12Å; A61-V83 HydrophobicContact CB-CG2 4Å | ||
| 62 | G | 86.6 | Confident | 83.6 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.6 | -170 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y64 L81 | G62-Y64 WeakPolarHBondContact O-CD2 3.42Å; G62-L81 PolarHBondContact N-O 2.94Å; G62-L81 PolarHBondContact O-N 2.76Å |
| 63 | T | 89.8 | Confident | 83 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 27% | 0.27 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 136 | -177.4 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | I11 I78 N80 | I11-T63 HydrophobicContact CB-CG2 4.39Å; I11-T63 HydrophobicContact CD1-CG2 4.45Å; I11-T63 PolarHBondContact N-O 3.2Å; T63-I78 HydrophobicContact CG2-CG2 3.36Å; T63-N80 WeakPolarHBondContact CB-OD1 3.12Å; T63-N80 WeakPolarHBondContact CG2-OD1 3.14Å; T63-N80 PolarHBondContact OG1-OD1 3.43Å |
| 64 | Y | 93.3 | Very high | 82.9 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.2 | 178.4 | -72.3 | -106.5 | 0 | 0 | 0 | 109.7 | T9 K10 V19 L51 M53 D60 G62 I78 V79 L81 | T9-Y64 CarbonylContact O-C 3.23Å; T9-Y64 WeakPolarHBondContact O-CA 3.41Å; K10-Y64 HydrophobicContact CB-CD1 4.18Å; K10-Y64 HydrophobicContact CB-CE1 3.95Å; K10-Y64 HydrophobicContact CD-CE1 4.33Å; K10-Y64 HydrophobicContact CD-CE2 4.13Å; K10-Y64 HydrophobicContact CG-CE1 4.26Å; K10-Y64 HydrophobicContact CG-CE2 4.15Å; V19-Y64 HydrophobicContact CG2-CD1 3.94Å; V19-Y64 HydrophobicContact CG2-CE1 3.71Å; L51-Y64 HydrophobicContact CD2-CD1 3.93Å; L51-Y64 HydrophobicContact CD2-CE1 4.23Å; M53-Y64 HydrophobicContact CE-CE1 3.9Å; D60-Y64 WeakPolarHBondContact O-CE2 3.33Å; D60-Y64 PolarHBondContact O-OH 3.46Å; G62-Y64 WeakPolarHBondContact O-CD2 3.42Å; Y64-I78 CarbonylContact O-C 3.17Å; Y64-I78 WeakPolarHBondContact O-CA 3.36Å; Y64-V79 PolarHBondContact N-O 2.69Å; Y64-V79 PolarHBondContact O-N 3.38Å; Y64-L81 HydrophobicContact CD2-CB 4Å; Y64-L81 HydrophobicContact CE2-CB 3.89Å; Y64-L81 HydrophobicContact CE2-CD2 3.91Å |
| 65 | S | 92.6 | Very high | 83.2 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 8% | 0.077 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.5 | 176.2 | -164.5 | 0 | 0 | 0 | 0 | 109.6 | W8 T9 D77 | W8-S65 WeakPolarHBondContact CA-O 3.37Å; T9-S65 PolarHBondContact N-O 2.94Å; T9-S65 PolarHBondContact O-N 3.31Å; S65-D77 CarbonylContact C-O 3.55Å; S65-D77 WeakPolarHBondContact CA-O 3.23Å |
| 66 | C | 92.3 | Very high | 83.8 | Confident | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.074 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.4 | 165.7 | -168.3 | 0 | 0 | 0 | 0 | 109.1 | W8 H76 D77 | W8-C66 HydrophobicContact CD2-CB 3.96Å; W8-C66 VanDerWaalsContact CE2-SG 3.59Å; W8-C66 HydrophobicContact CE3-CB 4.06Å; W8-C66 HydrophobicContact CH2-CB 3.71Å; W8-C66 HydrophobicContact CZ2-CB 3.55Å; W8-C66 HydrophobicContact CZ3-CB 3.94Å; C66-H76 WeakPolarHBondContact O-CA 3.4Å; C66-H76 WeakPolarHBondContact O-CB 3.41Å; C66-D77 PolarHBondContact N-O 3.33Å; C66-D77 PolarHBondContact O-N 2.9Å |
| 67 | E | 90.8 | Very high | 84 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 23% | 0.229 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 115.4 | 169.1 | -66.9 | 161.5 | -153.1 | 0 | 0 | 106.4 | I6 K7 | I6-E67 CarbonylContact C-O 3.54Å; I6-E67 WeakPolarHBondContact CA-O 3.16Å; K7-E67 HydrophobicContact CB-CB 4.24Å; K7-E67 VanDerWaalsContact CD-OE2 3.31Å; K7-E67 WeakPolarHBondContact CD-OE2 3.31Å; K7-E67 WeakPolarHBondContact CE-OE2 3.43Å; K7-E67 PolarHBondContact N-O 3.06Å; K7-E67 IonicContact NZ-OE1 3.55Å; K7-E67 PolarHBondContact NZ-OE1 2.82Å; K7-E67 IonicContact NZ-OE2 3.56Å; K7-E67 PolarHBondContact NZ-OE2 3.43Å; K7-E67 PolarHBondContact O-N 3.27Å |
| 68 | A | 88.6 | Confident | 84 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 12% | 0.116 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | R5 I6 A49 T75 | R5-A68 WeakPolarHBondContact O-CA 3.47Å; I6-A68 HydrophobicContact CG1-CB 4.36Å; A49-A68 HydrophobicContact CB-CB 4.4Å; A68-T75 PolarHBondContact N-O 3.27Å; A68-T75 PolarHBondContact O-N 3.2Å; A68-T75 PolarHBondContact O-OG1 2.6Å |
| 69 | T | 84.4 | Confident | 84.1 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.5 | -168.2 | 65 | 0 | 0 | 0 | 0 | 109.9 | R5 E73 D74 | R5-T69 WeakPolarHBondContact CB-OG1 3.26Å; R5-T69 PolarHBondContact N-O 2.9Å; R5-T69 PolarHBondContact O-N 3.06Å; R5-T69 PolarHBondContact O-OG1 2.79Å; T69-E73 WeakPolarHBondContact CA-O 3.13Å; T69-D74 WeakPolarHBondContact CB-OD1 3.34Å; T69-D74 HydrophobicContact CG2-CB 4.36Å; T69-D74 WeakPolarHBondContact CG2-OD1 3.19Å |
| 70 | Y | 80.8 | Confident | 83.9 | Confident | 131 Ų | 131 | 67.9 Ų | 67.9 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 111.3 | -179.9 | -174.4 | -101.7 | 0 | 0 | 0 | 111.4 | D2 L4 I72 E73 | D2-Y70 VanDerWaalsContact O-CE2 3.25Å; D2-Y70 WeakPolarHBondContact O-CE2 3.05Å; L4-Y70 HydrophobicContact CB-CD2 4.04Å; Y70-I72 PolarHBondContact O-N 2.65Å; Y70-E73 PolarHBondContact N-O 3.1Å; Y70-E73 PolarHBondContact O-N 3.38Å |
| 71 | G | 76.9 | Confident | 83.7 | Confident | 45 Ų | 45 | 70 Ų | 70 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | -101.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 72 | I | 69.8 | Low | 83.4 | Confident | 171 Ų | 171 | 74.3 Ų | 74.3 | 88% | 0.877 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -6.1 | 177.1 | -42.5 | 177.9 | 0 | 0 | 0 | 110.6 | Y70 | Y70-I72 PolarHBondContact O-N 2.65Š|
| 73 | E | 67 | Low | 83.2 | Confident | 148 Ų | 148 | 74 Ų | 74 | 69% | 0.692 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 110 | -179.8 | -65 | -173.7 | 176.1 | 0 | 0 | 111.1 | T69 Y70 | T69-E73 WeakPolarHBondContact CA-O 3.13Å; Y70-E73 PolarHBondContact N-O 3.1Å; Y70-E73 PolarHBondContact O-N 3.38Å |
| 74 | D | 78.2 | Confident | 82.7 | Confident | 125 Ų | 125 | 74.4 Ų | 74.4 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.7 | 173 | -79.5 | 3.1 | 0 | 0 | 0 | 110.4 | T69 | T69-D74 WeakPolarHBondContact CB-OD1 3.34Å; T69-D74 HydrophobicContact CG2-CB 4.36Å; T69-D74 WeakPolarHBondContact CG2-OD1 3.19Å |
| 75 | T | 81.8 | Confident | 82.5 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 55% | 0.546 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.4 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | A68 | A68-T75 PolarHBondContact N-O 3.27Å; A68-T75 PolarHBondContact O-N 3.2Å; A68-T75 PolarHBondContact O-OG1 2.6Å |
| 76 | H | 84.9 | Confident | 82.5 | Confident | 153 Ų | 153 | 74.8 Ų | 74.8 | 71% | 0.708 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 153.1 | 176.6 | 69 | 53.5 | 0 | 0 | 0 | 112.2 | C66 | C66-H76 WeakPolarHBondContact O-CA 3.4Å; C66-H76 WeakPolarHBondContact O-CB 3.41Å |
| 77 | D | 82.6 | Confident | 82.6 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 33% | 0.326 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.5 | 172.4 | -169.8 | 29.9 | 0 | 0 | 0 | 111.5 | S65 C66 R1157 | S65-D77 CarbonylContact C-O 3.55Å; S65-D77 WeakPolarHBondContact CA-O 3.23Å; C66-D77 PolarHBondContact N-O 3.33Å; C66-D77 PolarHBondContact O-N 2.9Å; D77-R1157 IonicContact OD1-NH2 2.85Å; D77-R1157 IonicContact OD2-CZ 3.58Å; D77-R1157 IonicContact OD2-NH1 2.6Å; D77-R1157 PolarHBondContact OD2-NH1 2.92Å; D77-R1157 IonicContact OD2-NH2 3.75Å; D77-R1157 PolarHBondContact OD2-NH2 3.27Å |
| 78 | I | 85.1 | Confident | 82.9 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.6 | -176.6 | -60.1 | 179.1 | 0 | 0 | 0 | 110 | T63 Y64 | T63-I78 HydrophobicContact CG2-CG2 3.36Å; Y64-I78 CarbonylContact O-C 3.17Å; Y64-I78 WeakPolarHBondContact O-CA 3.36Å |
| 79 | V | 83.8 | Confident | 83.3 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.9 | -177.3 | -177 | 0 | 0 | 0 | 0 | 109.3 | W8 Y64 | W8-V79 HydrophobicContact CH2-CG2 4.24Å; Y64-V79 PolarHBondContact N-O 2.69Å; Y64-V79 PolarHBondContact O-N 3.38Å |
| 80 | N | 80.7 | Confident | 83.8 | Confident | 119 Ų | 119 | 72.8 Ų | 72.8 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.6 | 172 | -71 | -32.4 | 0 | 0 | 0 | 110 | T63 | T63-N80 WeakPolarHBondContact CB-OD1 3.12Å; T63-N80 WeakPolarHBondContact CG2-OD1 3.14Å; T63-N80 PolarHBondContact OG1-OD1 3.43Å |
| 81 | L | 82.8 | Confident | 84.4 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.6 | 171.6 | 176.9 | 59.4 | 0 | 0 | 0 | 108.6 | M53 L56 D60 A61 G62 Y64 V83 | M53-L81 HydrophobicContact SD-CD2 4.08Å; L56-L81 HydrophobicContact CD2-CD2 4.03Å; D60-L81 HydrophobicContact CB-CD2 4.21Å; A61-L81 CarbonylContact C-O 3.52Å; A61-L81 VanDerWaalsContact CA-O 3.31Å; A61-L81 WeakPolarHBondContact CA-O 3.33Å; G62-L81 PolarHBondContact N-O 2.94Å; G62-L81 PolarHBondContact O-N 2.76Å; Y64-L81 HydrophobicContact CD2-CB 4Å; Y64-L81 HydrophobicContact CE2-CB 3.89Å; Y64-L81 HydrophobicContact CE2-CD2 3.91Å; L81-V83 HydrophobicContact CD1-CG2 4.35Å; L81-V83 HydrophobicContact CD2-CG2 4.43Å; L81-V83 HydrophobicContact CG-CG2 4.02Å |
| 82 | D | 78.9 | Confident | 84.8 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 68% | 0.684 | 35% | 0.349 | S | S | * | . | trans | -90.9 | 145 | 165 | -174.2 | 23.7 | 0 | 0 | 0 | 109.4 | ||||
| 83 | V | 82.2 | Confident | 85.4 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 13% | 0.127 | 32% | 0.322 | C | S | . | . | trans | -132.8 | 95.3 | 178.5 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | L56 A61 L81 | L56-V83 HydrophobicContact CB-CG1 4.43Å; A61-V83 HydrophobicContact CB-CB 4.12Å; A61-V83 HydrophobicContact CB-CG2 4Å; L81-V83 HydrophobicContact CD1-CG2 4.35Å; L81-V83 HydrophobicContact CD2-CG2 4.43Å; L81-V83 HydrophobicContact CG-CG2 4.02Å | ||
| 84 | S | 80.2 | Confident | 85.9 | Confident | 53 Ų | 53 | 55 Ų | 55 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | trans | -69 | 171.7 | 165.6 | 55 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 85 | G | 87.4 | Confident | 86.1 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | trans | 101 | 135.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y180 V181 D182 | G85-Y180 VanDerWaalsContact CA-OH 3.26Å; G85-Y180 WeakPolarHBondContact CA-OH 3.48Å; G85-V181 CarbonylContact C-O 3.56Å; G85-V181 VanDerWaalsContact CA-O 3.29Å; G85-V181 WeakPolarHBondContact CA-O 3.24Å; G85-D182 WeakPolarHBondContact CA-O 3.45Å; G85-D182 PolarHBondContact N-O 3.13Å | ||
| 86 | V | 92.6 | Very high | 86.2 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 127.2 | 163.2 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | Y180 V181 H220 W223 R224 | V86-Y180 WeakPolarHBondContact O-CA 3.25Å; V86-V181 HydrophobicContact CG1-CG1 3.44Å; V86-V181 VanDerWaalsContact CG1-CG1 3.44Å; V86-V181 PolarHBondContact N-O 2.88Å; V86-V181 PolarHBondContact O-N 2.86Å; V86-V181 VanDerWaalsContact O-N 3.12Å; V86-H220 HydrophobicContact CG1-CB 3.89Å; V86-W223 HydrophobicContact CG2-CZ3 4.07Å; V86-R224 HydrophobicContact CB-CG 3.57Å; V86-R224 HydrophobicContact CG1-CG 3.67Å; V86-R224 HydrophobicContact CG2-CG 4.24Å |
| 87 | V | 95.6 | Very high | 86.4 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 132.6 | 162.8 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | A116 Q120 L121 A124 F129 Y178 C179 Y180 | V87-A116 HydrophobicContact CG1-CB 4.02Å; V87-A116 HydrophobicContact CG2-CB 4.17Å; V87-Q120 HydrophobicContact CG2-CB 3.68Å; V87-L121 HydrophobicContact CG1-CD1 3.95Å; V87-A124 HydrophobicContact CB-CB 3.97Å; V87-A124 HydrophobicContact CG2-CB 4.27Å; V87-F129 HydrophobicContact CG1-CE1 4.26Å; V87-Y178 HydrophobicContact CG1-CD1 4.18Å; V87-C179 CarbonylContact C-O 3.51Å; V87-C179 WeakPolarHBondContact CA-O 3.47Å; V87-Y180 HydrophobicContact CG2-CD2 3.95Å |
| 88 | F | 96.3 | Very high | 86.8 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.022 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.7 | 173.7 | 62.7 | -88.2 | 0 | 0 | 0 | 111.4 | Y90 I111 A113 Y178 C179 V181 T216 H220 | F88-Y90 HydrophobicContact CE2-CD2 4.44Å; F88-I111 HydrophobicContact CE2-CD1 3.7Å; F88-I111 HydrophobicContact CZ-CD1 3.88Å; F88-I111 HydrophobicContact CZ-CG1 4.44Å; F88-A113 HydrophobicContact CE1-CB 4.17Å; F88-A113 HydrophobicContact CZ-CB 3.98Å; F88-Y178 WeakPolarHBondContact O-CA 3.16Å; F88-C179 HydrophobicContact CD2-CB 4.46Å; F88-C179 HydrophobicContact CE1-CB 4Å; F88-C179 HydrophobicContact CE2-CB 3.87Å; F88-C179 HydrophobicContact CZ-CB 3.62Å; F88-C179 PolarHBondContact N-O 2.58Å; F88-C179 PolarHBondContact O-N 3.3Å; F88-V181 HydrophobicContact CD1-CG1 4.39Å; F88-V181 HydrophobicContact CE1-CB 4.37Å; F88-V181 HydrophobicContact CE1-CG1 3.93Å; F88-T216 HydrophobicContact CD2-CG2 4.42Å; F88-T216 HydrophobicContact CE2-CG2 3.76Å; F88-T216 HydrophobicContact CZ-CG2 4.3Å; F88-H220 VanDerWaalsContact CB-CD2 3.44Å; F88-H220 WeakPolarHBondContact CB-CD2 3.41Å; F88-H220 WeakPolarHBondContact CB-NE2 3.34Å; F88-H220 HydrophobicContact CD1-CB 3.96Å; F88-H220 AromaticContact CD1-CG 3.78Å; F88-H220 AromaticContact CD2-CE1 3.59Å; F88-H220 AromaticContact CD2-ND1 3.86Å; F88-H220 AromaticContact CD2-NE2 3.87Å; F88-H220 HydrophobicContact CE1-CB 4.26Å; F88-H220 HydrophobicContact CG-CB 4.45Å; F88-H220 AromaticContact CG-CD2 3.67Å; F88-H220 AromaticContact CG-CE1 3.78Å; F88-H220 AromaticContact CG-CG 3.78Å; F88-H220 AromaticContact CG-ND1 3.85Å; F88-H220 AromaticContact CG-NE2 3.69Å |
| 89 | H | 96.6 | Very high | 87.3 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 12% | 0.12 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 136.6 | 172.7 | 168.6 | -106.3 | 0 | 0 | 0 | 109.8 | F129 Q131 D176 Y178 | H89-F129 HydrophobicContact CB-CZ 4.36Å; H89-Q131 HydrophobicContact CB-CG 4.08Å; H89-Q131 PolarHBondContact CE1-NE2 3.3Å; H89-Q131 PolarHBondContact ND1-NE2 2.78Å; H89-D176 IonicContact CE1-OD2 3.59Å; H89-D176 PolarHBondContact CE1-OD2 2.66Å; H89-D176 VanDerWaalsContact NE2-CB 3.35Å; H89-D176 WeakPolarHBondContact NE2-CB 3.07Å; H89-D176 IonicContact NE2-OD2 2.66Å; H89-D176 PolarHBondContact NE2-OD2 3.45Å; H89-Y178 HydrophobicContact CB-CD1 4.18Å; H89-Y178 HydrophobicContact CB-CE1 3.85Å |
| 90 | Y | 95.9 | Very high | 87.9 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.3 | 176.2 | -174.5 | -84.9 | 0 | 0 | 0 | 111.4 | F88 T107 I111 V177 T216 | F88-Y90 HydrophobicContact CE2-CD2 4.44Å; Y90-T107 HydrophobicContact CD1-CG2 3.51Å; Y90-T107 HydrophobicContact CE1-CG2 3.23Å; Y90-I111 HydrophobicContact CD1-CD1 4.43Å; Y90-I111 HydrophobicContact CD2-CD1 3.3Å; Y90-I111 HydrophobicContact CE2-CD1 3.6Å; Y90-I111 HydrophobicContact CE2-CG2 3.87Å; Y90-I111 HydrophobicContact CG-CD1 3.76Å; Y90-V177 HydrophobicContact CD1-CG1 4.17Å; Y90-V177 HydrophobicContact CG-CG1 4.5Å; Y90-V177 PolarHBondContact N-O 3.25Å; Y90-V177 PolarHBondContact O-N 3.01Å; Y90-T216 HydrophobicContact CD2-CG2 4.04Å; Y90-T216 HydrophobicContact CE2-CG2 4.23Å |
| 91 | R | 92.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | trans | -122.3 | 138.8 | 171.4 | 177.8 | 176.9 | -63.6 | 137.4 | 14.4 | 109.2 | D133 D176 Q267 | R91-D133 IonicContact CZ-OD2 3.54Å; R91-D133 IonicContact NH2-OD1 3.54Å; R91-D133 PolarHBondContact NH2-OD1 3.28Å; R91-D133 VanDerWaalsContact NH2-OD1 3.11Å; R91-D133 IonicContact NH2-OD2 3.11Å; R91-D133 PolarHBondContact NH2-OD2 2.84Å; R91-D176 IonicContact CZ-OD2 2.96Å; R91-D176 VanDerWaalsContact CZ-OD2 3.24Å; R91-D176 IonicContact NE-OD1 3.51Å; R91-D176 PolarHBondContact NE-OD1 2.71Å; R91-D176 IonicContact NE-OD2 2.74Å; R91-D176 PolarHBondContact NE-OD2 3.12Å; R91-D176 IonicContact NH2-OD2 3.82Å; R91-D176 PolarHBondContact NH2-OD2 2.68Å; R91-Q267 WeakPolarHBondContact CD-O 3.43Å; R91-Q267 PolarHBondContact NH1-O 3.07Å | ||
| 92 | A | 86 | Confident | 89.4 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | trans | -70.3 | 159.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T94 L99 | A92-T94 PolarHBondContact O-N 3.14Å; A92-L99 HydrophobicContact CB-CD2 4.09Å | ||
| 93 | S | 81.8 | Confident | 90.2 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 31% | 0.308 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -59.1 | -39.7 | -174.6 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | W269 | S93-W269 WeakPolarHBondContact O-CA 3.33Å; S93-W269 PolarHBondContact O-N 3.36Å |
| 94 | T | 78.3 | Confident | 90.9 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 39% | 0.387 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -71.7 | -49.2 | -165.4 | 53.9 | 0 | 0 | 0 | 0 | 114.7 | A92 W269 | A92-T94 PolarHBondContact O-N 3.14Å; T94-W269 HydrophobicContact CG2-CH2 4.16Å; T94-W269 HydrophobicContact CG2-CZ2 4.44Å; T94-W269 PolarHBondContact O-NE1 2.9Å |
| 95 | S | 81.1 | Confident | 91.7 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 37% | 0.371 | 20% | 0.204 | S | C | . | . | trans | -161.8 | 163.9 | 178.1 | -167.1 | 0 | 0 | 0 | 0 | 112.2 | T98 | S95-T98 VanDerWaalsContact O-CG2 3.24Å; S95-T98 WeakPolarHBondContact O-CG2 3.21Å; S95-T98 PolarHBondContact O-OG1 2.92Å | ||
| 96 | R | 84.9 | Confident | 92.2 | Very high | 105 Ų | 105 | 43.2 Ų | 43.2 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -58 | 139.7 | 166.1 | 172.4 | -172.4 | -94.7 | 136 | -7.3 | 109.5 | D133 | R96-D133 IonicContact CZ-OD1 3.13Å; R96-D133 IonicContact NE-OD1 2.79Å; R96-D133 PolarHBondContact NE-OD1 2.91Å; R96-D133 IonicContact NH2-OD1 2.67Å; R96-D133 PolarHBondContact NH2-OD1 3.25Å; R96-D133 IonicContact NH2-OD2 3.3Å |
| 97 | Y | 89.1 | Confident | 92.3 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 28% | 0.282 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 59.4 | 65.9 | 174 | -56.2 | -15.9 | 0 | 0 | 0 | 112.9 | D133 A134 T174 D176 | Y97-D133 HydrophobicContact CE1-CB 4.48Å; Y97-A134 HydrophobicContact CE1-CB 4.39Å; Y97-A134 WeakPolarHBondContact CE1-O 3.34Å; Y97-A134 PolarHBondContact OH-N 2.92Å; Y97-A134 VanDerWaalsContact OH-N 3.08Å; Y97-T174 WeakPolarHBondContact O-CB 3.31Å; Y97-T174 PolarHBondContact O-OG1 2.89Å; Y97-D176 HydrophobicContact CD1-CB 4.25Å; Y97-D176 HydrophobicContact CE1-CB 4.42Å; Y97-D176 PolarHBondContact N-OD1 3.32Å |
| 98 | T | 91.4 | Very high | 92.4 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 19% | 0.19 | 22% | 0.215 | C | C | . | . | trans | -130.3 | 10.2 | -173.2 | 49 | 0 | 0 | 0 | 0 | 114.6 | S95 K103 Y175 | S95-T98 VanDerWaalsContact O-CG2 3.24Å; S95-T98 WeakPolarHBondContact O-CG2 3.21Å; S95-T98 PolarHBondContact O-OG1 2.92Å; T98-K103 PolarHBondContact O-NZ 2.98Å; T98-K103 VanDerWaalsContact O-NZ 3.16Å; T98-Y175 PolarHBondContact N-O 3.3Å | ||
| 99 | L | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -112.4 | 119.4 | 178.6 | -55.1 | 175.5 | 0 | 0 | 0 | 110.2 | A92 K103 A104 T107 W136 T174 Y175 V177 | A92-L99 HydrophobicContact CB-CD2 4.09Å; L99-K103 HydrophobicContact CD2-CD 3.97Å; L99-K103 HydrophobicContact CD2-CG 3.93Å; L99-A104 HydrophobicContact CB-CB 3.98Å; L99-A104 HydrophobicContact CD1-CB 4.42Å; L99-T107 HydrophobicContact CD1-CG2 4.15Å; L99-T107 WeakPolarHBondContact CD2-OG1 3.17Å; L99-W136 PolarHBondContact O-NE1 2.89Å; L99-T174 WeakPolarHBondContact O-CA 3.37Å; L99-Y175 WeakPolarHBondContact CB-O 3.47Å; L99-Y175 PolarHBondContact N-O 3.02Å; L99-Y175 PolarHBondContact O-N 3.02Å; L99-V177 HydrophobicContact CD1-CB 4.1Å; L99-V177 HydrophobicContact CD1-CG1 3.7Å |
| 100 | T | 97.2 | Very high | 92.4 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | trans | -67.7 | 165.7 | 159.2 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | E102 K103 A104 P171 E173 T174 | T100-E102 PolarHBondContact O-N 3.06Å; T100-K103 CarbonylContact O-C 3.6Å; T100-K103 PolarHBondContact O-N 2.8Å; T100-K103 VanDerWaalsContact OG1-CB 3.25Å; T100-K103 WeakPolarHBondContact OG1-CB 3.19Å; T100-A104 WeakPolarHBondContact O-CB 3.29Å; T100-A104 PolarHBondContact O-N 2.71Å; T100-P171 WeakPolarHBondContact CA-O 3.44Å; T100-P171 VanDerWaalsContact CB-O 3.27Å; T100-P171 WeakPolarHBondContact CB-O 3.36Å; T100-E173 WeakPolarHBondContact CA-O 3.17Å; T100-T174 HydrophobicContact CG2-CG2 4Å | ||
| 101 | Y | 97 | Very high | 92.3 | Very high | 45 Ų | 45 | 51.9 Ų | 51.9 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -51.2 | -174.9 | -179.5 | -114.8 | 0 | 0 | 0 | 113.1 | K103 A104 V105 I115 W136 I137 A138 Q140 P171 | Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 3.36Å; Y101-A104 WeakPolarHBondContact O-CB 3.39Å; Y101-A104 PolarHBondContact O-N 2.98Å; Y101-A104 VanDerWaalsContact O-N 3.11Å; Y101-V105 HydrophobicContact CE1-CG2 4.27Å; Y101-V105 HydrophobicContact CE2-CG2 4.08Å; Y101-V105 WeakPolarHBondContact O-CG2 3.5Å; Y101-V105 PolarHBondContact O-N 2.91Å; Y101-I115 HydrophobicContact CE2-CD1 3.99Å; Y101-W136 HydrophobicContact CD2-CB 4.34Å; Y101-W136 AromaticContact CD2-CD2 3.86Å; Y101-W136 HydrophobicContact CD2-CD2 3.86Å; Y101-W136 AromaticContact CD2-CE3 3.62Å; Y101-W136 HydrophobicContact CD2-CE3 3.62Å; Y101-W136 HydrophobicContact CD2-CG 4.21Å; Y101-W136 HydrophobicContact CD2-CZ3 4.13Å; Y101-W136 HydrophobicContact CE2-CE3 4.45Å; Y101-W136 HydrophobicContact CG-CE3 4.33Å; Y101-W136 HydrophobicContact CG-CZ3 4.47Å; Y101-I137 WeakPolarHBondContact CE2-O 3.48Å; Y101-A138 PolarHBondContact OH-O 2.8Å; Y101-Q140 HydrophobicContact CD1-CG 3.95Å; Y101-Q140 HydrophobicContact CD2-CB 4.5Å; Y101-Q140 HydrophobicContact CD2-CG 4.07Å; Y101-Q140 HydrophobicContact CE1-CB 4.35Å; Y101-Q140 HydrophobicContact CE1-CG 4.15Å; Y101-Q140 HydrophobicContact CE2-CB 4.23Å; Y101-Q140 HydrophobicContact CE2-CG 4.28Å; Y101-Q140 HydrophobicContact CG-CG 3.91Å; Y101-P171 PolarHBondContact N-O 2.92Å |
| 102 | E | 96.6 | Very high | 92.5 | Very high | 141 Ų | 141 | 53.5 Ų | 53.5 | 66% | 0.659 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -55.8 | -46.2 | 175.2 | -67.2 | 152.7 | -142.7 | 0 | 0 | 112 | T100 A104 V105 Q106 | T100-E102 PolarHBondContact O-N 3.06Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 3.11Å; E102-V105 PolarHBondContact O-N 2.95Å; E102-Q106 PolarHBondContact O-N 3.3Å |
| 103 | K | 96.7 | Very high | 93 | Very high | 104 Ų | 104 | 53.6 Ų | 53.6 | 45% | 0.452 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.3 | -31.1 | 179.7 | -167.7 | -176.7 | 172 | -167.3 | 0 | 111.6 | T98 L99 T100 Y101 T107 | T98-K103 PolarHBondContact O-NZ 2.98Å; T98-K103 VanDerWaalsContact O-NZ 3.16Å; L99-K103 HydrophobicContact CD2-CD 3.97Å; L99-K103 HydrophobicContact CD2-CG 3.93Å; T100-K103 CarbonylContact O-C 3.6Å; T100-K103 PolarHBondContact O-N 2.8Å; T100-K103 VanDerWaalsContact OG1-CB 3.25Å; T100-K103 WeakPolarHBondContact OG1-CB 3.19Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 3.36Å; K103-T107 WeakPolarHBondContact O-CB 3.45Å; K103-T107 PolarHBondContact O-N 3.48Å; K103-T107 PolarHBondContact O-OG1 3.37Å |
| 104 | A | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L99 T100 Y101 E102 Q106 T107 C108 W136 V177 | L99-A104 HydrophobicContact CB-CB 3.98Å; L99-A104 HydrophobicContact CD1-CB 4.42Å; T100-A104 WeakPolarHBondContact O-CB 3.29Å; T100-A104 PolarHBondContact O-N 2.71Å; Y101-A104 WeakPolarHBondContact O-CB 3.39Å; Y101-A104 PolarHBondContact O-N 2.98Å; Y101-A104 VanDerWaalsContact O-N 3.11Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 3.11Å; A104-Q106 PolarHBondContact O-N 2.98Å; A104-T107 PolarHBondContact O-N 3.1Å; A104-C108 PolarHBondContact O-N 3.39Å; A104-C108 VanDerWaalsContact O-N 3.1Å; A104-W136 HydrophobicContact CB-CB 4.01Å; A104-W136 HydrophobicContact CB-CG 3.99Å; A104-V177 HydrophobicContact CB-CB 3.9Å; A104-V177 HydrophobicContact CB-CG2 3.81Å |
| 105 | V | 96.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 52.1 Ų | 52.1 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 173.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | Y101 E102 C108 K109 I115 | Y101-V105 HydrophobicContact CE1-CG2 4.27Å; Y101-V105 HydrophobicContact CE2-CG2 4.08Å; Y101-V105 WeakPolarHBondContact O-CG2 3.5Å; Y101-V105 PolarHBondContact O-N 2.91Å; E102-V105 PolarHBondContact O-N 2.95Å; V105-C108 PolarHBondContact O-N 3.41Å; V105-K109 PolarHBondContact O-N 2.7Å; V105-I115 HydrophobicContact CG2-CB 4.45Å; V105-I115 HydrophobicContact CG2-CD1 3.88Å; V105-I115 HydrophobicContact CG2-CG2 4.15Å |
| 106 | Q | 97 | Very high | 95.3 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 40% | 0.402 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 178 | -170.7 | 58.1 | 35.8 | 0 | 0 | 112.4 | E102 A104 C108 K109 D110 | E102-Q106 PolarHBondContact O-N 3.3Å; A104-Q106 PolarHBondContact O-N 2.98Å; Q106-C108 VanDerWaalsContact C-N 3.29Å; Q106-C108 PolarHBondContact O-N 3.01Å; Q106-K109 WeakPolarHBondContact O-CA 3.24Å; Q106-K109 WeakPolarHBondContact O-CB 3.18Å; Q106-K109 PolarHBondContact O-N 3.13Å; Q106-D110 PolarHBondContact NE2-OD1 2.94Å; Q106-D110 VanDerWaalsContact O-CG 3.25Å; Q106-D110 PolarHBondContact O-N 2.87Å |
| 107 | T | 96.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | Y90 L99 K103 A104 I111 | Y90-T107 HydrophobicContact CD1-CG2 3.51Å; Y90-T107 HydrophobicContact CE1-CG2 3.23Å; L99-T107 HydrophobicContact CD1-CG2 4.15Å; L99-T107 WeakPolarHBondContact CD2-OG1 3.17Å; K103-T107 WeakPolarHBondContact O-CB 3.45Å; K103-T107 PolarHBondContact O-N 3.48Å; K103-T107 PolarHBondContact O-OG1 3.37Å; A104-T107 PolarHBondContact O-N 3.1Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 2.04Å |
| 108 | C | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 173.8 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | A104 V105 Q106 D110 I111 G112 A113 S114 V177 C179 | A104-C108 PolarHBondContact O-N 3.39Å; A104-C108 VanDerWaalsContact O-N 3.1Å; V105-C108 PolarHBondContact O-N 3.41Å; Q106-C108 VanDerWaalsContact C-N 3.29Å; Q106-C108 PolarHBondContact O-N 3.01Å; C108-D110 PolarHBondContact O-N 2.99Å; C108-I111 VanDerWaalsContact O-CG1 3.31Å; C108-I111 WeakPolarHBondContact O-CG1 3.21Å; C108-I111 PolarHBondContact O-N 3.48Å; C108-G112 PolarHBondContact O-N 3.02Å; C108-A113 CarbonylContact C-O 3.3Å; C108-A113 HydrophobicContact CB-CB 4.38Å; C108-A113 CarbonylContact O-C 3.21Å; C108-A113 WeakPolarHBondContact O-CA 3.41Å; C108-A113 WeakPolarHBondContact O-CB 3.43Å; C108-A113 PolarHBondContact O-N 3.12Å; C108-S114 VanDerWaalsContact CB-C 3.46Å; C108-S114 WeakPolarHBondContact CB-O 3.46Å; C108-V177 VanDerWaalsContact SG-CG2 3.55Å; C108-C179 WeakPolarHBondContact CA-SG 3.37Å; C108-C179 HydrophobicContact CB-CB 3.84Å; C108-C179 WeakPolarHBondContact CB-SG 3.36Å; C108-C179 VanDerWaalsContact SG-CA 3.55Å; C108-C179 WeakPolarHBondContact SG-CB 3.24Å; C108-C179 CovalentContact SG-SG 2.05Å; C108-C179 PolarHBondContact SG-SG 3.21Å |
| 109 | K | 96.8 | Very high | 95.1 | Very high | 125 Ų | 125 | 50.3 Ų | 50.3 | 54% | 0.543 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | 176.6 | -65.7 | 174.6 | -177.5 | 175.7 | 0 | 111.5 | V105 Q106 I111 G112 A113 | V105-K109 PolarHBondContact O-N 2.7Å; Q106-K109 WeakPolarHBondContact O-CA 3.24Å; Q106-K109 WeakPolarHBondContact O-CB 3.18Å; Q106-K109 PolarHBondContact O-N 3.13Å; K109-I111 PolarHBondContact O-N 2.65Å; K109-G112 PolarHBondContact O-N 3.48Å; K109-A113 VanDerWaalsContact CA-O 3.32Å; K109-A113 WeakPolarHBondContact CA-O 3.38Å; K109-A113 PolarHBondContact N-O 2.03Å |
| 110 | D | 94.5 | Very high | 95 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.1 | -31.8 | -178.3 | -66.1 | -20.1 | 0 | 0 | 0 | 112.5 | Q106 C108 | Q106-D110 PolarHBondContact NE2-OD1 2.94Å; Q106-D110 VanDerWaalsContact O-CG 3.25Å; Q106-D110 PolarHBondContact O-N 2.87Å; C108-D110 PolarHBondContact O-N 2.99Å |
| 111 | I | 95.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 11.1 | 175.7 | 72.4 | -176.9 | 0 | 0 | 0 | 114.1 | F88 Y90 T107 C108 K109 A113 S215 T216 G217 D237 | F88-I111 HydrophobicContact CE2-CD1 3.7Å; F88-I111 HydrophobicContact CZ-CD1 3.88Å; F88-I111 HydrophobicContact CZ-CG1 4.44Å; Y90-I111 HydrophobicContact CD1-CD1 4.43Å; Y90-I111 HydrophobicContact CD2-CD1 3.3Å; Y90-I111 HydrophobicContact CE2-CD1 3.6Å; Y90-I111 HydrophobicContact CE2-CG2 3.87Å; Y90-I111 HydrophobicContact CG-CD1 3.76Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 2.04Å; C108-I111 VanDerWaalsContact O-CG1 3.31Å; C108-I111 WeakPolarHBondContact O-CG1 3.21Å; C108-I111 PolarHBondContact O-N 3.48Å; K109-I111 PolarHBondContact O-N 2.65Å; I111-A113 HydrophobicContact CG1-CB 4.37Å; I111-S215 WeakPolarHBondContact O-CB 3.04Å; I111-S215 PolarHBondContact O-OG 3.02Å; I111-T216 HydrophobicContact CD1-CG2 4.19Å; I111-G217 WeakPolarHBondContact O-CA 3.22Å; I111-G217 PolarHBondContact O-N 2.87Å; I111-D237 HydrophobicContact CG2-CB 4.14Å |
| 112 | G | 94.8 | Very high | 94.2 | Very high | 36 Ų | 36 | 52.4 Ų | 52.4 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 48.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C108 K109 | C108-G112 PolarHBondContact O-N 3.02Å; K109-G112 PolarHBondContact O-N 3.48Å |
| 113 | A | 96.8 | Very high | 93.8 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | trans | -148.7 | 167.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F88 C108 K109 I111 C179 Y180 V181 | F88-A113 HydrophobicContact CE1-CB 4.17Å; F88-A113 HydrophobicContact CZ-CB 3.98Å; C108-A113 CarbonylContact C-O 3.3Å; C108-A113 HydrophobicContact CB-CB 4.38Å; C108-A113 CarbonylContact O-C 3.21Å; C108-A113 WeakPolarHBondContact O-CA 3.41Å; C108-A113 WeakPolarHBondContact O-CB 3.43Å; C108-A113 PolarHBondContact O-N 3.12Å; K109-A113 VanDerWaalsContact CA-O 3.32Å; K109-A113 WeakPolarHBondContact CA-O 3.38Å; K109-A113 PolarHBondContact N-O 2.03Å; I111-A113 HydrophobicContact CG1-CB 4.37Å; A113-C179 HydrophobicContact CB-CB 3.84Å; A113-Y180 CarbonylContact C-O 3.57Å; A113-Y180 WeakPolarHBondContact CA-O 3.48Å; A113-Y180 WeakPolarHBondContact CB-O 3.4Å; A113-V181 HydrophobicContact CB-CB 4.33Å | ||
| 114 | S | 96.6 | Very high | 93.5 | Very high | 55 Ų | 55 | 42.6 Ų | 42.6 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 166.8 | 161.1 | 74.3 | 0 | 0 | 0 | 0 | 110.3 | C108 C179 Y180 | C108-S114 VanDerWaalsContact CB-C 3.46Å; C108-S114 WeakPolarHBondContact CB-O 3.46Å; S114-C179 CarbonylContact O-C 3.55Å; S114-C179 WeakPolarHBondContact O-CA 3.46Å; S114-C179 WeakPolarHBondContact O-CB 3.28Å; S114-Y180 PolarHBondContact N-O 2.93Å; S114-Y180 PolarHBondContact O-N 2.9Å; S114-Y180 PolarHBondContact OG-O 2.97Å |
| 115 | I | 97.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 142.3 | 159.5 | -170.9 | 164.9 | 0 | 0 | 0 | 108.7 | Y101 V105 W136 A138 V177 | Y101-I115 HydrophobicContact CE2-CD1 3.99Å; V105-I115 HydrophobicContact CG2-CB 4.45Å; V105-I115 HydrophobicContact CG2-CD1 3.88Å; V105-I115 HydrophobicContact CG2-CG2 4.15Å; I115-W136 HydrophobicContact CD1-CB 4.17Å; I115-A138 HydrophobicContact CG2-CB 3.86Å; I115-V177 HydrophobicContact CD1-CG2 4.05Å; I115-V177 HydrophobicContact CG1-CG2 4.05Å |
| 116 | A | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 145.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V87 I137 A138 Y178 | V87-A116 HydrophobicContact CG1-CB 4.02Å; V87-A116 HydrophobicContact CG2-CB 4.17Å; A116-I137 WeakPolarHBondContact O-CA 3.43Å; A116-I137 VanDerWaalsContact O-CB 3.26Å; A116-I137 WeakPolarHBondContact O-CB 3.44Å; A116-A138 WeakPolarHBondContact O-CB 3.06Å; A116-A138 PolarHBondContact O-N 2.87Å; A116-Y178 WeakPolarHBondContact CB-O 3.36Å; A116-Y178 PolarHBondContact N-O 2.79Å |
| 117 | T | 92.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 28% | 0.282 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -83 | 164.2 | 171.1 | 72 | 0 | 0 | 0 | 0 | 111.6 | S119 Q120 L121 A138 | T117-S119 VanDerWaalsContact C-N 3.29Å; T117-S119 PolarHBondContact O-N 2.78Å; T117-S119 PolarHBondContact OG1-N 3.15Å; T117-S119 PolarHBondContact OG1-OG 2.62Å; T117-Q120 PolarHBondContact O-N 2.91Å; T117-Q120 WeakPolarHBondContact OG1-CG 3.36Å; T117-Q120 PolarHBondContact OG1-N 3.45Å; T117-Q120 VanDerWaalsContact OG1-N 3.12Å; T117-Q120 PolarHBondContact OG1-OE1 2.8Å; T117-L121 PolarHBondContact O-N 2.67Å; T117-A138 HydrophobicContact CG2-CB 4.28Å |
| 118 | Y | 88.3 | Confident | 92 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 172 | 172.2 | -127.3 | 0 | 0 | 0 | 112.5 | L121 K122 R143 V163 | Y118-L121 PolarHBondContact O-N 2.82Å; Y118-K122 HydrophobicContact CE1-CD 4.45Å; Y118-K122 HydrophobicContact CE2-CB 4.25Å; Y118-K122 HydrophobicContact CE2-CD 4.41Å; Y118-K122 VanDerWaalsContact O-CB 3.26Å; Y118-K122 WeakPolarHBondContact O-CB 3.42Å; Y118-K122 PolarHBondContact O-N 2.77Å; Y118-R143 VanDerWaalsContact CD2-NH1 3.27Å; Y118-R143 VanDerWaalsContact CE2-NH1 3.26Å; Y118-V163 HydrophobicContact CE2-CB 4.34Å; Y118-V163 HydrophobicContact CE2-CG1 4.19Å |
| 119 | S | 81 | Confident | 91.7 | Very high | 86 Ų | 86 | 49 Ų | 49 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 178.5 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | T117 K122 A123 | T117-S119 VanDerWaalsContact C-N 3.29Å; T117-S119 PolarHBondContact O-N 2.78Å; T117-S119 PolarHBondContact OG1-N 3.15Å; T117-S119 PolarHBondContact OG1-OG 2.62Å; S119-K122 PolarHBondContact O-N 2.96Å; S119-A123 WeakPolarHBondContact O-CB 3.45Å; S119-A123 PolarHBondContact O-N 2.71Å |
| 120 | Q | 91.7 | Very high | 91.5 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 173.3 | -71.3 | 168.1 | -21.6 | 0 | 0 | 111.6 | V87 T117 K122 A123 A124 Y180 | V87-Q120 HydrophobicContact CG2-CB 3.68Å; T117-Q120 PolarHBondContact O-N 2.91Å; T117-Q120 WeakPolarHBondContact OG1-CG 3.36Å; T117-Q120 PolarHBondContact OG1-N 3.45Å; T117-Q120 VanDerWaalsContact OG1-N 3.12Å; T117-Q120 PolarHBondContact OG1-OE1 2.8Å; Q120-K122 VanDerWaalsContact C-N 3.31Å; Q120-K122 PolarHBondContact O-N 2.99Å; Q120-A123 PolarHBondContact O-N 3.4Å; Q120-A124 PolarHBondContact O-N 2.72Å; Q120-Y180 HydrophobicContact CB-CD2 4.33Å; Q120-Y180 HydrophobicContact CG-CD2 4.05Å; Q120-Y180 HydrophobicContact CG-CE2 4.21Å; Q120-Y180 HydrophobicContact CG-CG 4.49Å; Q120-Y180 VanDerWaalsContact NE2-CD1 3.28Å |
| 121 | L | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -36.1 | 178.2 | -177.3 | 62.5 | 0 | 0 | 0 | 112.1 | V87 T117 Y118 Y125 F129 I137 R143 P145 V163 Y178 | V87-L121 HydrophobicContact CG1-CD1 3.95Å; T117-L121 PolarHBondContact O-N 2.67Å; Y118-L121 PolarHBondContact O-N 2.82Å; L121-Y125 WeakPolarHBondContact O-CB 3.33Å; L121-Y125 PolarHBondContact O-N 2.86Å; L121-F129 HydrophobicContact CD1-CD1 4.32Å; L121-F129 HydrophobicContact CD1-CE1 4.21Å; L121-I137 HydrophobicContact CD2-CG2 3.91Å; L121-R143 HydrophobicContact CD2-CB 3.9Å; L121-P145 HydrophobicContact CD1-CB 4.5Å; L121-P145 HydrophobicContact CD1-CG 4.05Å; L121-V163 HydrophobicContact CD2-CG1 3.98Å; L121-V163 HydrophobicContact CG-CG1 4.37Å; L121-Y178 HydrophobicContact CD1-CD1 3.72Å; L121-Y178 HydrophobicContact CD1-CE1 4.01Å; L121-Y178 HydrophobicContact CD1-CG 4.1Å; L121-Y178 HydrophobicContact CD2-CD2 4.5Å |
| 122 | K | 86.8 | Confident | 91.3 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 175.2 | -172.1 | 175.3 | -172 | -75.6 | 0 | 112.1 | Y118 S119 Q120 Y125 E126 | Y118-K122 HydrophobicContact CE1-CD 4.45Å; Y118-K122 HydrophobicContact CE2-CB 4.25Å; Y118-K122 HydrophobicContact CE2-CD 4.41Å; Y118-K122 VanDerWaalsContact O-CB 3.26Å; Y118-K122 WeakPolarHBondContact O-CB 3.42Å; Y118-K122 PolarHBondContact O-N 2.77Å; S119-K122 PolarHBondContact O-N 2.96Å; Q120-K122 VanDerWaalsContact C-N 3.31Å; Q120-K122 PolarHBondContact O-N 2.99Å; K122-Y125 WeakPolarHBondContact O-CB 3.43Å; K122-Y125 PolarHBondContact O-N 2.89Å; K122-E126 IonicContact NZ-OE1 2.87Å; K122-E126 PolarHBondContact NZ-OE1 2.79Å; K122-E126 WeakPolarHBondContact O-CG 3.26Å; K122-E126 PolarHBondContact O-N 2.79Å |
| 123 | A | 87.6 | Confident | 91.2 | Very high | 20 Ų | 20 | 42 Ų | 42 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S119 Q120 E126 D127 | S119-A123 WeakPolarHBondContact O-CB 3.45Å; S119-A123 PolarHBondContact O-N 2.71Å; Q120-A123 PolarHBondContact O-N 3.4Å; A123-E126 PolarHBondContact O-N 2.76Å; A123-D127 PolarHBondContact O-N 2.79Å; A123-D127 VanDerWaalsContact O-N 3.13Å |
| 124 | A | 90.7 | Very high | 91.1 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V87 Q120 E126 D127 G128 F129 | V87-A124 HydrophobicContact CB-CB 3.97Å; V87-A124 HydrophobicContact CG2-CB 4.27Å; Q120-A124 PolarHBondContact O-N 2.72Å; A124-E126 PolarHBondContact O-N 2.82Å; A124-D127 CarbonylContact O-C 3.48Å; A124-D127 WeakPolarHBondContact O-CA 3.33Å; A124-D127 WeakPolarHBondContact O-CB 3.46Å; A124-D127 PolarHBondContact O-N 2.95Å; A124-D127 VanDerWaalsContact O-N 3.14Å; A124-G128 PolarHBondContact O-N 2.88Å; A124-F129 HydrophobicContact CB-CB 3.99Å; A124-F129 HydrophobicContact CB-CD1 4Å; A124-F129 HydrophobicContact CB-CG 4.32Å; A124-F129 WeakPolarHBondContact O-CB 3.23Å; A124-F129 PolarHBondContact O-N 3.38Å |
| 125 | Y | 92.1 | Very high | 91.1 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 173.8 | 159.6 | -102.2 | 0 | 0 | 0 | 112.4 | L121 K122 D127 G128 P145 I146 T147 P161 G162 V163 | L121-Y125 WeakPolarHBondContact O-CB 3.33Å; L121-Y125 PolarHBondContact O-N 2.86Å; K122-Y125 WeakPolarHBondContact O-CB 3.43Å; K122-Y125 PolarHBondContact O-N 2.89Å; Y125-D127 PolarHBondContact O-N 3.08Å; Y125-G128 PolarHBondContact O-N 3.27Å; Y125-P145 HydrophobicContact CD2-CB 4.02Å; Y125-P145 HydrophobicContact CG-CB 4.29Å; Y125-I146 WeakPolarHBondContact CE2-O 3.42Å; Y125-T147 HydrophobicContact CD2-CG2 3.91Å; Y125-T147 HydrophobicContact CE2-CG2 3.91Å; Y125-P161 WeakPolarHBondContact OH-CB 3.49Å; Y125-G162 VanDerWaalsContact CZ-CA 3.45Å; Y125-G162 PolarHBondContact OH-N 2.97Å; Y125-V163 HydrophobicContact CD1-CG2 4Å; Y125-V163 HydrophobicContact CD2-CG2 4.49Å; Y125-V163 HydrophobicContact CG-CG2 3.76Å |
| 126 | E | 86.3 | Confident | 91.1 | Very high | 64 Ų | 64 | 37.7 Ų | 37.7 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.7 | -19.8 | 177.8 | -69.7 | 173.1 | -166.5 | 0 | 0 | 113 | R57 K122 A123 A124 G128 | R57-E126 IonicContact CZ-OE2 3.8Å; R57-E126 VanDerWaalsContact NE-CB 3.34Å; R57-E126 IonicContact NE-OE2 2.68Å; R57-E126 PolarHBondContact NE-OE2 2.88Å; R57-E126 IonicContact NH2-OE2 3.29Å; R57-E126 PolarHBondContact NH2-OE2 2.78Å; K122-E126 IonicContact NZ-OE1 2.87Å; K122-E126 PolarHBondContact NZ-OE1 2.79Å; K122-E126 WeakPolarHBondContact O-CG 3.26Å; K122-E126 PolarHBondContact O-N 2.79Å; A123-E126 PolarHBondContact O-N 2.76Å; A124-E126 PolarHBondContact O-N 2.82Å; E126-G128 VanDerWaalsContact C-N 3.33Å |
| 127 | D | 87.6 | Confident | 91.2 | Very high | 56 Ų | 56 | 37.7 Ų | 37.7 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 4.6 | 170.8 | -110.9 | 16 | 0 | 0 | 0 | 114.1 | R57 A58 S59 A123 A124 Y125 | R57-D127 WeakPolarHBondContact CB-OD1 3.06Å; A58-D127 VanDerWaalsContact CA-OD2 3.25Å; A58-D127 WeakPolarHBondContact CA-OD2 3.3Å; A58-D127 WeakPolarHBondContact CB-OD2 3.26Å; A58-D127 PolarHBondContact N-OD2 3.3Å; S59-D127 WeakPolarHBondContact CB-OD1 2.98Å; S59-D127 PolarHBondContact N-OD1 3.2Å; S59-D127 PolarHBondContact N-OD2 3.1Å; S59-D127 PolarHBondContact OG-OD1 3.38Å; A123-D127 PolarHBondContact O-N 2.79Å; A123-D127 VanDerWaalsContact O-N 3.13Å; A124-D127 CarbonylContact O-C 3.48Å; A124-D127 WeakPolarHBondContact O-CA 3.33Å; A124-D127 WeakPolarHBondContact O-CB 3.46Å; A124-D127 PolarHBondContact O-N 2.95Å; A124-D127 VanDerWaalsContact O-N 3.14Å; Y125-D127 PolarHBondContact O-N 3.08Å |
| 128 | G | 88.4 | Confident | 91.2 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 49% | 0.485 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 11.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A124 Y125 E126 D130 | A124-G128 PolarHBondContact O-N 2.88Å; Y125-G128 PolarHBondContact O-N 3.27Å; E126-G128 VanDerWaalsContact C-N 3.33Å; G128-D130 PolarHBondContact O-N 3.22Å |
| 129 | F | 91.8 | Very high | 91.2 | Very high | 57 Ų | 57 | 36.1 Ų | 36.1 | 25% | 0.25 | 21% | 0.21 | C | C | . | . | trans | -68.2 | 120.3 | 173.2 | -175.1 | -128.4 | 0 | 0 | 0 | 110.7 | V87 H89 L121 A124 P145 Y178 | V87-F129 HydrophobicContact CG1-CE1 4.26Å; H89-F129 HydrophobicContact CB-CZ 4.36Å; L121-F129 HydrophobicContact CD1-CD1 4.32Å; L121-F129 HydrophobicContact CD1-CE1 4.21Å; A124-F129 HydrophobicContact CB-CB 3.99Å; A124-F129 HydrophobicContact CB-CD1 4Å; A124-F129 HydrophobicContact CB-CG 4.32Å; A124-F129 WeakPolarHBondContact O-CB 3.23Å; A124-F129 PolarHBondContact O-N 3.38Å; F129-P145 HydrophobicContact CD1-CG 3.72Å; F129-P145 HydrophobicContact CE1-CG 4.01Å; F129-P145 HydrophobicContact CG-CG 4.49Å; F129-P145 WeakPolarHBondContact O-CB 3.38Å; F129-Y178 AromaticContact CE1-CD1 3.91Å; F129-Y178 HydrophobicContact CE1-CD1 3.91Å; F129-Y178 AromaticContact CE1-CE1 3.68Å; F129-Y178 HydrophobicContact CE1-CE1 3.68Å; F129-Y178 HydrophobicContact CZ-CD1 4.38Å; F129-Y178 HydrophobicContact CZ-CE1 4.07Å | ||
| 130 | D | 92.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | trans | -126.8 | 120.2 | -175.9 | -167.9 | -66.3 | 0 | 0 | 0 | 110.2 | G128 P145 T147 R148 R150 | G128-D130 PolarHBondContact O-N 3.22Å; D130-P145 CarbonylContact C-O 3.58Å; D130-P145 WeakPolarHBondContact CA-O 3.36Å; D130-T147 HydrophobicContact CB-CG2 4Å; D130-T147 WeakPolarHBondContact OD2-CA 3.28Å; D130-T147 WeakPolarHBondContact OD2-CB 3.16Å; D130-T147 PolarHBondContact OD2-N 2.75Å; D130-T147 PolarHBondContact OD2-OG1 2.64Å; D130-R148 PolarHBondContact OD2-N 3.46Å; D130-R150 IonicContact OD1-CZ 2.79Å; D130-R150 IonicContact OD1-NH1 3.46Å; D130-R150 PolarHBondContact OD1-NH1 2.78Å; D130-R150 IonicContact OD1-NH2 3.36Å; D130-R150 PolarHBondContact OD1-NH2 3.24Å; D130-R150 IonicContact OD2-NH1 2.89Å; D130-R150 PolarHBondContact OD2-NH1 2.76Å | ||
| 131 | Q | 93.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | trans | -147.3 | 134.7 | 175 | 175.9 | 55.7 | -54.7 | 0 | 0 | 109.7 | H89 D133 P145 Y178 | H89-Q131 HydrophobicContact CB-CG 4.08Å; H89-Q131 PolarHBondContact CE1-NE2 3.3Å; H89-Q131 PolarHBondContact ND1-NE2 2.78Å; Q131-D133 HydrophobicContact CG-CB 4.11Å; Q131-D133 PolarHBondContact NE2-OD2 3.4Å; Q131-P145 HydrophobicContact CB-CG 4.39Å; Q131-P145 PolarHBondContact N-O 3.18Å; Q131-Y178 HydrophobicContact CB-CE1 4.38Å; Q131-Y178 WeakPolarHBondContact CB-OH 3.45Å; Q131-Y178 HydrophobicContact CG-CE1 4.35Å; Q131-Y178 WeakPolarHBondContact CG-OH 3.33Å | ||
| 132 | C | 93.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | trans | -95.1 | -14.1 | -178 | -176.2 | 0 | 0 | 0 | 0 | 113 | I146 C153 | C132-I146 HydrophobicContact CB-CD1 4.04Å; C132-C153 HydrophobicContact CB-CB 3.98Å; C132-C153 WeakPolarHBondContact CB-SG 3.39Å; C132-C153 VanDerWaalsContact SG-CA 3.51Å; C132-C153 WeakPolarHBondContact SG-CB 3.03Å; C132-C153 CovalentContact SG-SG 2.03Å; C132-C153 PolarHBondContact SG-SG 2.9Å | ||
| 133 | D | 93.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -77 | 127.2 | 175.6 | -72.6 | -56.3 | 0 | 0 | 0 | 112.2 | R91 R96 Y97 Q131 Y144 Y178 | R91-D133 IonicContact CZ-OD2 3.54Å; R91-D133 IonicContact NH2-OD1 3.54Å; R91-D133 PolarHBondContact NH2-OD1 3.28Å; R91-D133 VanDerWaalsContact NH2-OD1 3.11Å; R91-D133 IonicContact NH2-OD2 3.11Å; R91-D133 PolarHBondContact NH2-OD2 2.84Å; R96-D133 IonicContact CZ-OD1 3.13Å; R96-D133 IonicContact NE-OD1 2.79Å; R96-D133 PolarHBondContact NE-OD1 2.91Å; R96-D133 IonicContact NH2-OD1 2.67Å; R96-D133 PolarHBondContact NH2-OD1 3.25Å; R96-D133 IonicContact NH2-OD2 3.3Å; Y97-D133 HydrophobicContact CE1-CB 4.48Å; Q131-D133 HydrophobicContact CG-CB 4.11Å; Q131-D133 PolarHBondContact NE2-OD2 3.4Å; D133-Y144 WeakPolarHBondContact O-CB 3.03Å; D133-Y178 PolarHBondContact O-OH 2.86Å |
| 134 | A | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -76.8 | 132.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y97 V142 Y144 Y166 Y175 D176 | Y97-A134 HydrophobicContact CE1-CB 4.39Å; Y97-A134 WeakPolarHBondContact CE1-O 3.34Å; Y97-A134 PolarHBondContact OH-N 2.92Å; Y97-A134 VanDerWaalsContact OH-N 3.08Å; A134-V142 HydrophobicContact CB-CG1 3.83Å; A134-Y144 HydrophobicContact CB-CD1 3.9Å; A134-Y144 HydrophobicContact CB-CE1 4.27Å; A134-Y166 HydrophobicContact CB-CD2 4.21Å; A134-Y166 HydrophobicContact CB-CE2 3.63Å; A134-Y175 HydrophobicContact CB-CD1 4.22Å; A134-D176 PolarHBondContact O-N 2.86Å | ||
| 135 | G | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 156 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V142 R143 D176 | G135-V142 WeakPolarHBondContact O-CA 3.35Å; G135-R143 PolarHBondContact N-O 3.36Å; G135-R143 VanDerWaalsContact N-O 3.1Å; G135-R143 PolarHBondContact O-N 3.44Å; G135-D176 CarbonylContact C-O 3.56Å; G135-D176 WeakPolarHBondContact CA-O 3.43Å |
| 136 | W | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 145.8 | 173.3 | -66.2 | 110.6 | 0 | 0 | 0 | 112.1 | L99 Y101 A104 I115 Q140 V142 R169 K170 E173 Y175 D176 V177 Y178 | L99-W136 PolarHBondContact O-NE1 2.89Å; Y101-W136 HydrophobicContact CD2-CB 4.34Å; Y101-W136 AromaticContact CD2-CD2 3.86Å; Y101-W136 HydrophobicContact CD2-CD2 3.86Å; Y101-W136 AromaticContact CD2-CE3 3.62Å; Y101-W136 HydrophobicContact CD2-CE3 3.62Å; Y101-W136 HydrophobicContact CD2-CG 4.21Å; Y101-W136 HydrophobicContact CD2-CZ3 4.13Å; Y101-W136 HydrophobicContact CE2-CE3 4.45Å; Y101-W136 HydrophobicContact CG-CE3 4.33Å; Y101-W136 HydrophobicContact CG-CZ3 4.47Å; A104-W136 HydrophobicContact CB-CB 4.01Å; A104-W136 HydrophobicContact CB-CG 3.99Å; I115-W136 HydrophobicContact CD1-CB 4.17Å; W136-Q140 HydrophobicContact CZ3-CG 4Å; W136-Q140 WeakPolarHBondContact CZ3-O 3.37Å; W136-V142 HydrophobicContact CD2-CG2 3.81Å; W136-V142 HydrophobicContact CE3-CG2 3.47Å; W136-V142 VanDerWaalsContact CE3-CG2 3.47Å; W136-V142 HydrophobicContact CH2-CG2 4.22Å; W136-V142 HydrophobicContact CZ2-CG2 4.49Å; W136-V142 HydrophobicContact CZ3-CG2 3.7Å; W136-R169 HydrophobicContact CH2-CB 3.64Å; W136-R169 HydrophobicContact CZ3-CB 3.84Å; W136-K170 WeakPolarHBondContact CH2-O 3.36Å; W136-E173 HydrophobicContact CZ2-CB 4.46Å; W136-E173 WeakPolarHBondContact CZ2-O 3.26Å; W136-Y175 HydrophobicContact CD2-CD2 4.49Å; W136-Y175 AromaticContact CE2-CD2 3.84Å; W136-Y175 HydrophobicContact CH2-CD2 4.48Å; W136-Y175 AromaticContact CZ2-CD2 3.85Å; W136-Y175 HydrophobicContact CZ2-CD2 3.85Å; W136-Y175 HydrophobicContact CZ2-CE2 4.4Å; W136-D176 PolarHBondContact N-O 2.93Å; W136-V177 HydrophobicContact CB-CG2 4.27Å; W136-Y178 PolarHBondContact O-N 3.22Å |
| 137 | I | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -132.7 | 171.2 | 164.9 | 54.4 | 149.7 | 0 | 0 | 0 | 110.5 | Y101 A116 L121 D139 Q140 T141 R143 Y178 | Y101-I137 WeakPolarHBondContact CE2-O 3.48Å; A116-I137 WeakPolarHBondContact O-CA 3.43Å; A116-I137 VanDerWaalsContact O-CB 3.26Å; A116-I137 WeakPolarHBondContact O-CB 3.44Å; L121-I137 HydrophobicContact CD2-CG2 3.91Å; I137-D139 VanDerWaalsContact CD1-OD1 3.24Å; I137-D139 WeakPolarHBondContact CD1-OD1 3.29Å; I137-D139 VanDerWaalsContact CG1-OD1 3.26Å; I137-D139 WeakPolarHBondContact CG1-OD1 3.25Å; I137-D139 PolarHBondContact O-N 3.42Å; I137-Q140 PolarHBondContact O-N 3.28Å; I137-T141 WeakPolarHBondContact CG1-O 3.03Å; I137-T141 PolarHBondContact N-O 3.21Å; I137-R143 HydrophobicContact CD1-CG 4Å; I137-R143 HydrophobicContact CG1-CG 4.19Å; I137-Y178 HydrophobicContact CG2-CD2 4.41Å | ||
| 138 | A | 93.8 | Very high | 93.2 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 34% | 0.339 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y101 I115 A116 T117 | Y101-A138 PolarHBondContact OH-O 2.8Å; I115-A138 HydrophobicContact CG2-CB 3.86Å; A116-A138 WeakPolarHBondContact O-CB 3.06Å; A116-A138 PolarHBondContact O-N 2.87Å; T117-A138 HydrophobicContact CG2-CB 4.28Å |
| 139 | D | 88.3 | Confident | 93.2 | Very high | 64 Ų | 64 | 31.7 Ų | 31.7 | 34% | 0.342 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 17.4 | 179 | 66.2 | -2.9 | 0 | 0 | 0 | 112.7 | I137 T141 R143 | I137-D139 VanDerWaalsContact CD1-OD1 3.24Å; I137-D139 WeakPolarHBondContact CD1-OD1 3.29Å; I137-D139 VanDerWaalsContact CG1-OD1 3.26Å; I137-D139 WeakPolarHBondContact CG1-OD1 3.25Å; I137-D139 PolarHBondContact O-N 3.42Å; D139-T141 VanDerWaalsContact CG-OG1 3.24Å; D139-T141 PolarHBondContact O-N 2.84Å; D139-T141 VanDerWaalsContact OD1-CB 3.25Å; D139-T141 WeakPolarHBondContact OD1-CB 3.05Å; D139-T141 WeakPolarHBondContact OD1-CG2 3.27Å; D139-T141 PolarHBondContact OD1-N 2.89Å; D139-T141 PolarHBondContact OD1-OG1 2.9Å; D139-T141 PolarHBondContact OD2-OG1 3.25Å; D139-R143 IonicContact OD2-CZ 2.99Å; D139-R143 IonicContact OD2-NE 2.79Å; D139-R143 IonicContact OD2-NH2 3.9Å; D139-R143 PolarHBondContact OD2-NH2 2.97Å |
| 140 | Q | 89.7 | Confident | 93.3 | Very high | 57 Ų | 57 | 33.2 Ų | 33.2 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 55.2 | 18.7 | -172.6 | -152.9 | -168.9 | -65.9 | 0 | 0 | 114.2 | Y101 W136 I137 V168 R169 | Y101-Q140 HydrophobicContact CD1-CG 3.95Å; Y101-Q140 HydrophobicContact CD2-CB 4.5Å; Y101-Q140 HydrophobicContact CD2-CG 4.07Å; Y101-Q140 HydrophobicContact CE1-CB 4.35Å; Y101-Q140 HydrophobicContact CE1-CG 4.15Å; Y101-Q140 HydrophobicContact CE2-CB 4.23Å; Y101-Q140 HydrophobicContact CE2-CG 4.28Å; Y101-Q140 HydrophobicContact CG-CG 3.91Å; W136-Q140 HydrophobicContact CZ3-CG 4Å; W136-Q140 WeakPolarHBondContact CZ3-O 3.37Å; I137-Q140 PolarHBondContact O-N 3.28Å; Q140-V168 HydrophobicContact CB-CG1 4.5Å; Q140-V168 WeakPolarHBondContact O-CA 3.36Å; Q140-R169 PolarHBondContact NE2-O 3.14Å; Q140-R169 PolarHBondContact O-N 2.84Å |
| 141 | T | 89.6 | Confident | 92.9 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 158.4 | 166.8 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | I137 D139 R143 G167 V168 | I137-T141 WeakPolarHBondContact CG1-O 3.03Å; I137-T141 PolarHBondContact N-O 3.21Å; D139-T141 VanDerWaalsContact CG-OG1 3.24Å; D139-T141 PolarHBondContact O-N 2.84Å; D139-T141 VanDerWaalsContact OD1-CB 3.25Å; D139-T141 WeakPolarHBondContact OD1-CB 3.05Å; D139-T141 WeakPolarHBondContact OD1-CG2 3.27Å; D139-T141 PolarHBondContact OD1-N 2.89Å; D139-T141 PolarHBondContact OD1-OG1 2.9Å; D139-T141 PolarHBondContact OD2-OG1 3.25Å; T141-R143 WeakPolarHBondContact OG1-CG 3.36Å; T141-R143 PolarHBondContact OG1-NE 2.96Å; T141-R143 PolarHBondContact OG1-NH2 3.5Å; T141-G167 VanDerWaalsContact CA-O 3.26Å; T141-G167 WeakPolarHBondContact CA-O 3.26Å; T141-G167 WeakPolarHBondContact CB-O 3.34Å; T141-V168 HydrophobicContact CG2-CG2 3.78Å |
| 142 | V | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 108.9 | A134 G135 W136 T165 Y166 G167 R169 Y175 | A134-V142 HydrophobicContact CB-CG1 3.83Å; G135-V142 WeakPolarHBondContact O-CA 3.35Å; W136-V142 HydrophobicContact CD2-CG2 3.81Å; W136-V142 HydrophobicContact CE3-CG2 3.47Å; W136-V142 VanDerWaalsContact CE3-CG2 3.47Å; W136-V142 HydrophobicContact CH2-CG2 4.22Å; W136-V142 HydrophobicContact CZ2-CG2 4.49Å; W136-V142 HydrophobicContact CZ3-CG2 3.7Å; V142-T165 WeakPolarHBondContact O-CA 3.45Å; V142-Y166 HydrophobicContact CB-CD2 4.45Å; V142-Y166 HydrophobicContact CG1-CD2 3.9Å; V142-Y166 PolarHBondContact O-N 3.3Å; V142-G167 PolarHBondContact N-O 2.82Å; V142-R169 HydrophobicContact CB-CG 3.91Å; V142-R169 HydrophobicContact CG2-CB 4.13Å; V142-R169 HydrophobicContact CG2-CG 3.52Å; V142-Y175 HydrophobicContact CB-CD2 4.47Å; V142-Y175 HydrophobicContact CB-CE2 4.48Å; V142-Y175 HydrophobicContact CG1-CD1 3.67Å; V142-Y175 HydrophobicContact CG1-CD2 4.23Å; V142-Y175 HydrophobicContact CG1-CE1 3.88Å; V142-Y175 HydrophobicContact CG1-CE2 4.41Å; V142-Y175 HydrophobicContact CG1-CG 3.85Å; V142-Y175 HydrophobicContact CG2-CD1 4.48Å; V142-Y175 HydrophobicContact CG2-CD2 3.53Å; V142-Y175 HydrophobicContact CG2-CE2 3.71Å; V142-Y175 HydrophobicContact CG2-CG 3.93Å |
| 143 | R | 96.8 | Very high | 92.3 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 166.4 | -171.8 | -57.1 | -160.4 | -163.7 | -150.4 | 9.8 | 112.3 | Y118 L121 G135 I137 D139 T141 V163 R164 Y178 | Y118-R143 VanDerWaalsContact CD2-NH1 3.27Å; Y118-R143 VanDerWaalsContact CE2-NH1 3.26Å; L121-R143 HydrophobicContact CD2-CB 3.9Å; G135-R143 PolarHBondContact N-O 3.36Å; G135-R143 VanDerWaalsContact N-O 3.1Å; G135-R143 PolarHBondContact O-N 3.44Å; I137-R143 HydrophobicContact CD1-CG 4Å; I137-R143 HydrophobicContact CG1-CG 4.19Å; D139-R143 IonicContact OD2-CZ 2.99Å; D139-R143 IonicContact OD2-NE 2.79Å; D139-R143 IonicContact OD2-NH2 3.9Å; D139-R143 PolarHBondContact OD2-NH2 2.97Å; T141-R143 WeakPolarHBondContact OG1-CG 3.36Å; T141-R143 PolarHBondContact OG1-NE 2.96Å; T141-R143 PolarHBondContact OG1-NH2 3.5Å; R143-V163 HydrophobicContact CB-CG1 3.96Å; R143-R164 CarbonylContact C-O 3.53Å; R143-R164 WeakPolarHBondContact CA-O 3.5Å; R143-R164 VanDerWaalsContact CB-O 3.23Å; R143-R164 WeakPolarHBondContact CB-O 3.42Å; R143-Y178 VanDerWaalsContact O-CE2 3.26Å; R143-Y178 WeakPolarHBondContact O-CE2 3.39Å |
| 144 | Y | 96.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 140.9 | 170 | 57.1 | -81.4 | 0 | 0 | 0 | 112.7 | D133 A134 I146 G155 V163 R164 Y166 | D133-Y144 WeakPolarHBondContact O-CB 3.03Å; A134-Y144 HydrophobicContact CB-CD1 3.9Å; A134-Y144 HydrophobicContact CB-CE1 4.27Å; Y144-I146 HydrophobicContact CD2-CD1 4.36Å; Y144-I146 HydrophobicContact CD2-CG1 3.87Å; Y144-I146 HydrophobicContact CE2-CG1 4.05Å; Y144-G155 VanDerWaalsContact OH-CA 3.23Å; Y144-G155 WeakPolarHBondContact OH-CA 3.31Å; Y144-G155 PolarHBondContact OH-N 3.27Å; Y144-V163 CarbonylContact O-C 3.58Å; Y144-V163 WeakPolarHBondContact O-CA 3.49Å; Y144-R164 HydrophobicContact CD1-CB 4.13Å; Y144-R164 HydrophobicContact CD2-CB 4.22Å; Y144-R164 HydrophobicContact CE1-CB 3.88Å; Y144-R164 HydrophobicContact CE2-CB 3.98Å; Y144-R164 VanDerWaalsContact CE2-CD 3.41Å; Y144-R164 HydrophobicContact CE2-CG 4.29Å; Y144-R164 HydrophobicContact CG-CB 4.3Å; Y144-R164 PolarHBondContact N-O 3.13Å; Y144-R164 VanDerWaalsContact N-O 3.08Å; Y144-R164 PolarHBondContact O-N 2.89Å; Y144-Y166 AromaticContact CE1-CE2 3.88Å; Y144-Y166 HydrophobicContact CE1-CE2 3.88Å; Y144-Y166 AromaticContact CE1-CZ 3.82Å; Y144-Y166 PolarHBondContact OH-OH 2.93Å |
| 145 | P | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.8 | -173.3 | 35.9 | -32.8 | 0 | 0 | 0 | 112.9 | L121 Y125 F129 D130 Q131 V163 Y178 | L121-P145 HydrophobicContact CD1-CB 4.5Å; L121-P145 HydrophobicContact CD1-CG 4.05Å; Y125-P145 HydrophobicContact CD2-CB 4.02Å; Y125-P145 HydrophobicContact CG-CB 4.29Å; F129-P145 HydrophobicContact CD1-CG 3.72Å; F129-P145 HydrophobicContact CE1-CG 4.01Å; F129-P145 HydrophobicContact CG-CG 4.49Å; F129-P145 WeakPolarHBondContact O-CB 3.38Å; D130-P145 CarbonylContact C-O 3.58Å; D130-P145 WeakPolarHBondContact CA-O 3.36Å; Q131-P145 HydrophobicContact CB-CG 4.39Å; Q131-P145 PolarHBondContact N-O 3.18Å; P145-V163 HydrophobicContact CB-CG2 4.34Å; P145-Y178 WeakPolarHBondContact CD-OH 3.2Å; P145-Y178 HydrophobicContact CG-CE1 4.45Å |
| 146 | I | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 108.6 | 177.3 | -66.7 | -66.5 | 0 | 0 | 0 | 110.6 | Y125 C132 Y144 P149 C153 P161 G162 | Y125-I146 WeakPolarHBondContact CE2-O 3.42Å; C132-I146 HydrophobicContact CB-CD1 4.04Å; Y144-I146 HydrophobicContact CD2-CD1 4.36Å; Y144-I146 HydrophobicContact CD2-CG1 3.87Å; Y144-I146 HydrophobicContact CE2-CG1 4.05Å; I146-P149 HydrophobicContact CG2-CB 4.43Å; I146-P149 HydrophobicContact CG2-CG 4.27Å; I146-C153 HydrophobicContact CD1-CB 3.77Å; I146-C153 HydrophobicContact CG1-CB 4.24Å; I146-P161 CarbonylContact O-C 3.51Å; I146-P161 WeakPolarHBondContact O-CA 3.38Å; I146-G162 PolarHBondContact N-O 2.92Å; I146-G162 VanDerWaalsContact N-O 3.12Å; I146-G162 PolarHBondContact O-N 2.64Å |
| 147 | T | 91.1 | Very high | 89.3 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 23% | 0.233 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -83.3 | -34 | 174.9 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | Y125 D130 | Y125-T147 HydrophobicContact CD2-CG2 3.91Å; Y125-T147 HydrophobicContact CE2-CG2 3.91Å; D130-T147 HydrophobicContact CB-CG2 4Å; D130-T147 WeakPolarHBondContact OD2-CA 3.28Å; D130-T147 WeakPolarHBondContact OD2-CB 3.16Å; D130-T147 PolarHBondContact OD2-N 2.75Å; D130-T147 PolarHBondContact OD2-OG1 2.64Å |
| 148 | R | 88.1 | Confident | 88.7 | Confident | 199 Ų | 199 | 56.1 Ų | 56.1 | 75% | 0.751 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -121.2 | 93.4 | 179.2 | -65.4 | -177.6 | -171.2 | 175.1 | 3.5 | 109.8 | D130 R150 | D130-R148 PolarHBondContact OD2-N 3.46Å; R148-R150 PolarHBondContact O-NH1 2.69Å |
| 149 | P | 87.9 | Confident | 88.2 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | trans | -56.4 | 135.6 | 179.4 | -26.7 | 36.2 | 0 | 0 | 0 | 112.5 | I146 M159 P161 | I146-P149 HydrophobicContact CG2-CB 4.43Å; I146-P149 HydrophobicContact CG2-CG 4.27Å; P149-M159 HydrophobicContact CB-CE 4.13Å; P149-M159 WeakPolarHBondContact CB-O 3.43Å; P149-M159 HydrophobicContact CB-SD 4.26Å; P149-M159 VanDerWaalsContact CG-O 3.29Å; P149-M159 WeakPolarHBondContact CG-O 3.33Å; P149-P161 HydrophobicContact CG-CB 4.37Å; P149-P161 HydrophobicContact CG-CG 3.89Å | ||
| 150 | R | 92.8 | Very high | 87.9 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | trans | -158 | 153.6 | -171.5 | 59 | -169 | 178.5 | -93.1 | 8.8 | 111 | D130 R148 C153 | D130-R150 IonicContact OD1-CZ 2.79Å; D130-R150 IonicContact OD1-NH1 3.46Å; D130-R150 PolarHBondContact OD1-NH1 2.78Å; D130-R150 IonicContact OD1-NH2 3.36Å; D130-R150 PolarHBondContact OD1-NH2 3.24Å; D130-R150 IonicContact OD2-NH1 2.89Å; D130-R150 PolarHBondContact OD2-NH1 2.76Å; R148-R150 PolarHBondContact O-NH1 2.69Å; R150-C153 HydrophobicContact CG-CB 3.84Å; R150-C153 PolarHBondContact O-N 2.04Å | ||
| 151 | N | 85.3 | Confident | 87.5 | Confident | 140 Ų | 140 | 62 Ų | 62 | 75% | 0.749 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 142.6 | 176.9 | -70.4 | -9.7 | 0 | 0 | 0 | 110.9 | C153 | N151-C153 PolarHBondContact O-N 3.41Š|
| 152 | G | 84.1 | Confident | 87.4 | Confident | 75 Ų | 75 | 62 Ų | 62 | 77% | 0.773 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -20.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 153 | C | 89.5 | Confident | 87.2 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.054 | 33% | 0.334 | C | S | . | . | trans | -117.3 | 30 | -175.1 | -52.4 | 0 | 0 | 0 | 0 | 112.9 | C132 I146 R150 N151 R164 | C132-C153 HydrophobicContact CB-CB 3.98Å; C132-C153 WeakPolarHBondContact CB-SG 3.39Å; C132-C153 VanDerWaalsContact SG-CA 3.51Å; C132-C153 WeakPolarHBondContact SG-CB 3.03Å; C132-C153 CovalentContact SG-SG 2.03Å; C132-C153 PolarHBondContact SG-SG 2.9Å; I146-C153 HydrophobicContact CD1-CB 3.77Å; I146-C153 HydrophobicContact CG1-CB 4.24Å; R150-C153 HydrophobicContact CG-CB 3.84Å; R150-C153 PolarHBondContact O-N 2.04Å; N151-C153 PolarHBondContact O-N 3.41Å; C153-R164 PolarHBondContact O-NE 2.86Å | ||
| 154 | L | 79.8 | Confident | 86.8 | Confident | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | trans | -73.1 | -49.6 | -167.7 | -63.4 | 179.6 | 0 | 0 | 0 | 113.2 | K158 M159 R164 | L154-K158 WeakPolarHBondContact CD2-O 3.39Å; L154-K158 WeakPolarHBondContact O-CA 3.38Å; L154-K158 PolarHBondContact O-N 3.14Å; L154-M159 HydrophobicContact CD2-CG 4.41Å; L154-M159 HydrophobicContact CD2-SD 3.62Å; L154-R164 PolarHBondContact O-NE 2.79Å; L154-R164 PolarHBondContact O-NH2 2.84Å | ||
| 155 | G | 83.7 | Confident | 86.5 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | 55.1 | -156.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y144 L157 | Y144-G155 VanDerWaalsContact OH-CA 3.23Å; Y144-G155 WeakPolarHBondContact OH-CA 3.31Å; Y144-G155 PolarHBondContact OH-N 3.27Å; G155-L157 VanDerWaalsContact C-N 3.26Å; G155-L157 PolarHBondContact O-N 2.74Å |
| 156 | N | 78.9 | Confident | 86.1 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -67.2 | -23.5 | 176.2 | 65.4 | -53.8 | 0 | 0 | 0 | 113.6 | R164 T165 | N156-R164 WeakPolarHBondContact OD1-CA 3.43Å; N156-R164 WeakPolarHBondContact OD1-CB 3.42Å; N156-T165 PolarHBondContact OD1-N 2.67Å; N156-T165 PolarHBondContact OD1-O 2.75Å |
| 157 | L | 77.8 | Confident | 85.8 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -94.2 | 0.6 | -175.9 | -62.9 | -179.7 | 0 | 0 | 0 | 114.3 | G155 M159 I160 R164 | G155-L157 VanDerWaalsContact C-N 3.26Å; G155-L157 PolarHBondContact O-N 2.74Å; L157-M159 PolarHBondContact O-N 3.12Å; L157-I160 HydrophobicContact CB-CB 4.44Å; L157-I160 WeakPolarHBondContact O-CB 3.27Å; L157-I160 PolarHBondContact O-N 3.35Å; L157-R164 HydrophobicContact CB-CG 4.14Å; L157-R164 HydrophobicContact CD1-CG 4.25Å; L157-R164 HydrophobicContact CG-CG 4.23Å |
| 158 | K | 83.3 | Confident | 85.7 | Confident | 153 Ų | 153 | 71.7 Ų | 71.7 | 67% | 0.665 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | -109.7 | 179.9 | -60.2 | 178.9 | -178.1 | 176.1 | 0 | 112.4 | L154 R164 | L154-K158 WeakPolarHBondContact CD2-O 3.39Å; L154-K158 WeakPolarHBondContact O-CA 3.38Å; L154-K158 PolarHBondContact O-N 3.14Å; K158-R164 PolarHBondContact O-NH2 3.38Å |
| 159 | M | 84 | Confident | 85.9 | Confident | 112 Ų | 112 | 66.2 Ų | 66.2 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 10.1 | -179.2 | -68.7 | -58.1 | -66.2 | 0 | 0 | 114.2 | P149 L154 L157 | P149-M159 HydrophobicContact CB-CE 4.13Å; P149-M159 WeakPolarHBondContact CB-O 3.43Å; P149-M159 HydrophobicContact CB-SD 4.26Å; P149-M159 VanDerWaalsContact CG-O 3.29Å; P149-M159 WeakPolarHBondContact CG-O 3.33Å; L154-M159 HydrophobicContact CD2-CG 4.41Å; L154-M159 HydrophobicContact CD2-SD 3.62Å; L157-M159 PolarHBondContact O-N 3.12Å |
| 160 | I | 81.1 | Confident | 86.1 | Confident | 111 Ų | 111 | 71.6 Ų | 71.6 | 57% | 0.569 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -92.8 | 133.7 | 177.5 | -51.9 | 174.7 | 0 | 0 | 0 | 109.3 | L157 R164 | L157-I160 HydrophobicContact CB-CB 4.44Å; L157-I160 WeakPolarHBondContact O-CB 3.27Å; L157-I160 PolarHBondContact O-N 3.35Å; I160-R164 VanDerWaalsContact O-CZ 3.27Å; I160-R164 PolarHBondContact O-NH1 2.79Å; I160-R164 PolarHBondContact O-NH2 2.87Å |
| 161 | P | 81.8 | Confident | 86.1 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 41% | 0.409 | 39% | 0.386 | S | S | . | . | trans | -59.1 | 147.7 | 172.2 | -23 | 34 | 0 | 0 | 0 | 112.2 | Y125 I146 P149 | Y125-P161 WeakPolarHBondContact OH-CB 3.49Å; I146-P161 CarbonylContact O-C 3.51Å; I146-P161 WeakPolarHBondContact O-CA 3.38Å; P149-P161 HydrophobicContact CG-CB 4.37Å; P149-P161 HydrophobicContact CG-CG 3.89Å | ||
| 162 | G | 88.3 | Confident | 86.6 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | 166.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y125 I146 R164 | Y125-G162 VanDerWaalsContact CZ-CA 3.45Å; Y125-G162 PolarHBondContact OH-N 2.97Å; I146-G162 PolarHBondContact N-O 2.92Å; I146-G162 VanDerWaalsContact N-O 3.12Å; I146-G162 PolarHBondContact O-N 2.64Å; G162-R164 PolarHBondContact O-N 2.81Å; G162-R164 PolarHBondContact O-NH1 2.79Å |
| 163 | V | 91.3 | Very high | 87.1 | Confident | 16 Ų | 16 | 66 Ų | 66 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 108.1 | 168 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | Y118 L121 Y125 R143 Y144 P145 | Y118-V163 HydrophobicContact CE2-CB 4.34Å; Y118-V163 HydrophobicContact CE2-CG1 4.19Å; L121-V163 HydrophobicContact CD2-CG1 3.98Å; L121-V163 HydrophobicContact CG-CG1 4.37Å; Y125-V163 HydrophobicContact CD1-CG2 4Å; Y125-V163 HydrophobicContact CD2-CG2 4.49Å; Y125-V163 HydrophobicContact CG-CG2 3.76Å; R143-V163 HydrophobicContact CB-CG1 3.96Å; Y144-V163 CarbonylContact O-C 3.58Å; Y144-V163 WeakPolarHBondContact O-CA 3.49Å; P145-V163 HydrophobicContact CB-CG2 4.34Å |
| 164 | R | 88.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 157.4 | 175.1 | -73 | 138.4 | 171.5 | 59 | 12.2 | 110.5 | R143 Y144 C153 L154 N156 L157 K158 I160 G162 | R143-R164 CarbonylContact C-O 3.53Å; R143-R164 WeakPolarHBondContact CA-O 3.5Å; R143-R164 VanDerWaalsContact CB-O 3.23Å; R143-R164 WeakPolarHBondContact CB-O 3.42Å; Y144-R164 HydrophobicContact CD1-CB 4.13Å; Y144-R164 HydrophobicContact CD2-CB 4.22Å; Y144-R164 HydrophobicContact CE1-CB 3.88Å; Y144-R164 HydrophobicContact CE2-CB 3.98Å; Y144-R164 VanDerWaalsContact CE2-CD 3.41Å; Y144-R164 HydrophobicContact CE2-CG 4.29Å; Y144-R164 HydrophobicContact CG-CB 4.3Å; Y144-R164 PolarHBondContact N-O 3.13Å; Y144-R164 VanDerWaalsContact N-O 3.08Å; Y144-R164 PolarHBondContact O-N 2.89Å; C153-R164 PolarHBondContact O-NE 2.86Å; L154-R164 PolarHBondContact O-NE 2.79Å; L154-R164 PolarHBondContact O-NH2 2.84Å; N156-R164 WeakPolarHBondContact OD1-CA 3.43Å; N156-R164 WeakPolarHBondContact OD1-CB 3.42Å; L157-R164 HydrophobicContact CB-CG 4.14Å; L157-R164 HydrophobicContact CD1-CG 4.25Å; L157-R164 HydrophobicContact CG-CG 4.23Å; K158-R164 PolarHBondContact O-NH2 3.38Å; I160-R164 VanDerWaalsContact O-CZ 3.27Å; I160-R164 PolarHBondContact O-NH1 2.79Å; I160-R164 PolarHBondContact O-NH2 2.87Å; G162-R164 PolarHBondContact O-N 2.81Å; G162-R164 PolarHBondContact O-NH1 2.79Å |
| 165 | T | 91.1 | Very high | 88.2 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.8 | -180 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | V142 N156 G167 | V142-T165 WeakPolarHBondContact O-CA 3.45Å; N156-T165 PolarHBondContact OD1-N 2.67Å; N156-T165 PolarHBondContact OD1-O 2.75Å; T165-G167 PolarHBondContact OG1-N 2.86Å |
| 166 | Y | 87 | Confident | 88.8 | Confident | 104 Ų | 104 | 65.7 Ų | 65.7 | 41% | 0.408 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 12 | 166.1 | -63 | -50.8 | 0 | 0 | 0 | 112.8 | A134 V142 Y144 R169 Y175 | A134-Y166 HydrophobicContact CB-CD2 4.21Å; A134-Y166 HydrophobicContact CB-CE2 3.63Å; V142-Y166 HydrophobicContact CB-CD2 4.45Å; V142-Y166 HydrophobicContact CG1-CD2 3.9Å; V142-Y166 PolarHBondContact O-N 3.3Å; Y144-Y166 AromaticContact CE1-CE2 3.88Å; Y144-Y166 HydrophobicContact CE1-CE2 3.88Å; Y144-Y166 AromaticContact CE1-CZ 3.82Å; Y144-Y166 PolarHBondContact OH-OH 2.93Å; Y166-R169 WeakPolarHBondContact O-CD 3.45Å; Y166-Y175 HydrophobicContact CD2-CE1 4.45Å |
| 167 | G | 86.8 | Confident | 89.7 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.7 | -168.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T141 V142 T165 | T141-G167 VanDerWaalsContact CA-O 3.26Å; T141-G167 WeakPolarHBondContact CA-O 3.26Å; T141-G167 WeakPolarHBondContact CB-O 3.34Å; V142-G167 PolarHBondContact N-O 2.82Å; T165-G167 PolarHBondContact OG1-N 2.86Å |
| 168 | V | 88.4 | Confident | 90.7 | Very high | 97 Ų | 97 | 59.2 Ų | 59.2 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.2 | 167.8 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | Q140 T141 | Q140-V168 HydrophobicContact CB-CG1 4.5Å; Q140-V168 WeakPolarHBondContact O-CA 3.36Å; T141-V168 HydrophobicContact CG2-CG2 3.78Å |
| 169 | R | 93.4 | Very high | 91.4 | Very high | 84 Ų | 84 | 52 Ų | 52 | 32% | 0.317 | 28% | 0.281 | S | S | . | . | trans | -114.5 | 160.2 | 179.2 | -55.7 | -53.1 | -58.2 | 169.7 | 4.6 | 110.3 | W136 Q140 V142 Y166 E173 Y175 | W136-R169 HydrophobicContact CH2-CB 3.64Å; W136-R169 HydrophobicContact CZ3-CB 3.84Å; Q140-R169 PolarHBondContact NE2-O 3.14Å; Q140-R169 PolarHBondContact O-N 2.84Å; V142-R169 HydrophobicContact CB-CG 3.91Å; V142-R169 HydrophobicContact CG2-CB 4.13Å; V142-R169 HydrophobicContact CG2-CG 3.52Å; Y166-R169 WeakPolarHBondContact O-CD 3.45Å; R169-E173 IonicContact CZ-OE1 3.74Å; R169-E173 IonicContact CZ-OE2 3.19Å; R169-E173 IonicContact NE-OE1 3.54Å; R169-E173 IonicContact NE-OE2 2.81Å; R169-E173 PolarHBondContact NE-OE2 3.04Å; R169-E173 IonicContact NH2-OE1 3.33Å; R169-E173 PolarHBondContact NH2-OE1 3Å; R169-E173 IonicContact NH2-OE2 2.72Å; R169-E173 PolarHBondContact NH2-OE2 3.01Å; R169-Y175 HydrophobicContact CB-CE2 4.27Å; R169-Y175 HydrophobicContact CG-CE2 4.07Å | ||
| 170 | K | 92.5 | Very high | 92 | Very high | 145 Ų | 145 | 48.6 Ų | 48.6 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | trans | -66.7 | 137.5 | 175.7 | -61.7 | -179.4 | 178.6 | -175.9 | 0 | 109.4 | W136 S172 E173 | W136-K170 WeakPolarHBondContact CH2-O 3.36Å; K170-S172 PolarHBondContact O-N 2.92Å; K170-E173 HydrophobicContact CB-CG 4.16Å; K170-E173 WeakPolarHBondContact CB-OE1 3.41Å; K170-E173 PolarHBondContact N-OE1 3.35Å; K170-E173 WeakPolarHBondContact O-CB 3.21Å; K170-E173 PolarHBondContact O-N 3.07Å | ||
| 171 | P | 92.9 | Very high | 92.7 | Very high | 48 Ų | 48 | 44 Ų | 44 | 31% | 0.312 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.1 | -177.1 | -28.2 | 35.3 | 0 | 0 | 0 | 114.8 | T100 Y101 | T100-P171 WeakPolarHBondContact CA-O 3.44Å; T100-P171 VanDerWaalsContact CB-O 3.27Å; T100-P171 WeakPolarHBondContact CB-O 3.36Å; Y101-P171 PolarHBondContact N-O 2.92Å |
| 172 | S | 94.1 | Very high | 92.9 | Very high | 94 Ų | 94 | 45.1 Ų | 45.1 | 66% | 0.657 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7 | 178.8 | 52.9 | 0 | 0 | 0 | 0 | 115.4 | K170 | K170-S172 PolarHBondContact O-N 2.92Š|
| 173 | E | 95.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -68 | 158.2 | 166.6 | -69.1 | 173 | -123.2 | 0 | 0 | 110.2 | T100 W136 R169 K170 Y175 | T100-E173 WeakPolarHBondContact CA-O 3.17Å; W136-E173 HydrophobicContact CZ2-CB 4.46Å; W136-E173 WeakPolarHBondContact CZ2-O 3.26Å; R169-E173 IonicContact CZ-OE1 3.74Å; R169-E173 IonicContact CZ-OE2 3.19Å; R169-E173 IonicContact NE-OE1 3.54Å; R169-E173 IonicContact NE-OE2 2.81Å; R169-E173 PolarHBondContact NE-OE2 3.04Å; R169-E173 IonicContact NH2-OE1 3.33Å; R169-E173 PolarHBondContact NH2-OE1 3Å; R169-E173 IonicContact NH2-OE2 2.72Å; R169-E173 PolarHBondContact NH2-OE2 3.01Å; K170-E173 HydrophobicContact CB-CG 4.16Å; K170-E173 WeakPolarHBondContact CB-OE1 3.41Å; K170-E173 PolarHBondContact N-OE1 3.35Å; K170-E173 WeakPolarHBondContact O-CB 3.21Å; K170-E173 PolarHBondContact O-N 3.07Å; E173-Y175 HydrophobicContact CB-CD2 4.37Å; E173-Y175 HydrophobicContact CB-CE2 3.77Å; E173-Y175 PolarHBondContact OE2-OH 2.03Å |
| 174 | T | 95.8 | Very high | 92.6 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | trans | -120.1 | 132.3 | -176.1 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | Y97 L99 T100 | Y97-T174 WeakPolarHBondContact O-CB 3.31Å; Y97-T174 PolarHBondContact O-OG1 2.89Å; L99-T174 WeakPolarHBondContact O-CA 3.37Å; T100-T174 HydrophobicContact CG2-CG2 4Å | ||
| 175 | Y | 96.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 12% | 0.122 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -144.2 | -177.6 | -179.1 | -66.9 | -79.6 | 0 | 0 | 0 | 110.2 | T98 L99 A134 W136 V142 Y166 R169 E173 | T98-Y175 PolarHBondContact N-O 3.3Å; L99-Y175 WeakPolarHBondContact CB-O 3.47Å; L99-Y175 PolarHBondContact N-O 3.02Å; L99-Y175 PolarHBondContact O-N 3.02Å; A134-Y175 HydrophobicContact CB-CD1 4.22Å; W136-Y175 HydrophobicContact CD2-CD2 4.49Å; W136-Y175 AromaticContact CE2-CD2 3.84Å; W136-Y175 HydrophobicContact CH2-CD2 4.48Å; W136-Y175 AromaticContact CZ2-CD2 3.85Å; W136-Y175 HydrophobicContact CZ2-CD2 3.85Å; W136-Y175 HydrophobicContact CZ2-CE2 4.4Å; V142-Y175 HydrophobicContact CB-CD2 4.47Å; V142-Y175 HydrophobicContact CB-CE2 4.48Å; V142-Y175 HydrophobicContact CG1-CD1 3.67Å; V142-Y175 HydrophobicContact CG1-CD2 4.23Å; V142-Y175 HydrophobicContact CG1-CE1 3.88Å; V142-Y175 HydrophobicContact CG1-CE2 4.41Å; V142-Y175 HydrophobicContact CG1-CG 3.85Å; V142-Y175 HydrophobicContact CG2-CD1 4.48Å; V142-Y175 HydrophobicContact CG2-CD2 3.53Å; V142-Y175 HydrophobicContact CG2-CE2 3.71Å; V142-Y175 HydrophobicContact CG2-CG 3.93Å; Y166-Y175 HydrophobicContact CD2-CE1 4.45Å; R169-Y175 HydrophobicContact CB-CE2 4.27Å; R169-Y175 HydrophobicContact CG-CE2 4.07Å; E173-Y175 HydrophobicContact CB-CD2 4.37Å; E173-Y175 HydrophobicContact CB-CE2 3.77Å; E173-Y175 PolarHBondContact OE2-OH 2.03Å |
| 176 | D | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -168 | 163.9 | -67.6 | -14.2 | 0 | 0 | 0 | 108.8 | H89 R91 Y97 A134 G135 W136 | H89-D176 IonicContact CE1-OD2 3.59Å; H89-D176 PolarHBondContact CE1-OD2 2.66Å; H89-D176 VanDerWaalsContact NE2-CB 3.35Å; H89-D176 WeakPolarHBondContact NE2-CB 3.07Å; H89-D176 IonicContact NE2-OD2 2.66Å; H89-D176 PolarHBondContact NE2-OD2 3.45Å; R91-D176 IonicContact CZ-OD2 2.96Å; R91-D176 VanDerWaalsContact CZ-OD2 3.24Å; R91-D176 IonicContact NE-OD1 3.51Å; R91-D176 PolarHBondContact NE-OD1 2.71Å; R91-D176 IonicContact NE-OD2 2.74Å; R91-D176 PolarHBondContact NE-OD2 3.12Å; R91-D176 IonicContact NH2-OD2 3.82Å; R91-D176 PolarHBondContact NH2-OD2 2.68Å; Y97-D176 HydrophobicContact CD1-CB 4.25Å; Y97-D176 HydrophobicContact CE1-CB 4.42Å; Y97-D176 PolarHBondContact N-OD1 3.32Å; A134-D176 PolarHBondContact O-N 2.86Å; G135-D176 CarbonylContact C-O 3.56Å; G135-D176 WeakPolarHBondContact CA-O 3.43Å; W136-D176 PolarHBondContact N-O 2.93Å |
| 177 | V | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.2 | 176.4 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | Y90 L99 A104 C108 I115 W136 | Y90-V177 HydrophobicContact CD1-CG1 4.17Å; Y90-V177 HydrophobicContact CG-CG1 4.5Å; Y90-V177 PolarHBondContact N-O 3.25Å; Y90-V177 PolarHBondContact O-N 3.01Å; L99-V177 HydrophobicContact CD1-CB 4.1Å; L99-V177 HydrophobicContact CD1-CG1 3.7Å; A104-V177 HydrophobicContact CB-CB 3.9Å; A104-V177 HydrophobicContact CB-CG2 3.81Å; C108-V177 VanDerWaalsContact SG-CG2 3.55Å; I115-V177 HydrophobicContact CD1-CG2 4.05Å; I115-V177 HydrophobicContact CG1-CG2 4.05Å; W136-V177 HydrophobicContact CB-CG2 4.27Å |
| 178 | Y | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.1 | 164.2 | -69.5 | -90.7 | 0 | 0 | 0 | 109 | V87 F88 H89 A116 L121 F129 Q131 D133 W136 I137 R143 P145 | V87-Y178 HydrophobicContact CG1-CD1 4.18Å; F88-Y178 WeakPolarHBondContact O-CA 3.16Å; H89-Y178 HydrophobicContact CB-CD1 4.18Å; H89-Y178 HydrophobicContact CB-CE1 3.85Å; A116-Y178 WeakPolarHBondContact CB-O 3.36Å; A116-Y178 PolarHBondContact N-O 2.79Å; L121-Y178 HydrophobicContact CD1-CD1 3.72Å; L121-Y178 HydrophobicContact CD1-CE1 4.01Å; L121-Y178 HydrophobicContact CD1-CG 4.1Å; L121-Y178 HydrophobicContact CD2-CD2 4.5Å; F129-Y178 AromaticContact CE1-CD1 3.91Å; F129-Y178 HydrophobicContact CE1-CD1 3.91Å; F129-Y178 AromaticContact CE1-CE1 3.68Å; F129-Y178 HydrophobicContact CE1-CE1 3.68Å; F129-Y178 HydrophobicContact CZ-CD1 4.38Å; F129-Y178 HydrophobicContact CZ-CE1 4.07Å; Q131-Y178 HydrophobicContact CB-CE1 4.38Å; Q131-Y178 WeakPolarHBondContact CB-OH 3.45Å; Q131-Y178 HydrophobicContact CG-CE1 4.35Å; Q131-Y178 WeakPolarHBondContact CG-OH 3.33Å; D133-Y178 PolarHBondContact O-OH 2.86Å; W136-Y178 PolarHBondContact O-N 3.22Å; I137-Y178 HydrophobicContact CG2-CD2 4.41Å; R143-Y178 VanDerWaalsContact O-CE2 3.26Å; R143-Y178 WeakPolarHBondContact O-CE2 3.39Å; P145-Y178 WeakPolarHBondContact CD-OH 3.2Å; P145-Y178 HydrophobicContact CG-CE1 4.45Å |
| 179 | C | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 153.9 | 177.2 | -56 | 0 | 0 | 0 | 0 | 110.4 | V87 F88 C108 A113 S114 | V87-C179 CarbonylContact C-O 3.51Å; V87-C179 WeakPolarHBondContact CA-O 3.47Å; F88-C179 HydrophobicContact CD2-CB 4.46Å; F88-C179 HydrophobicContact CE1-CB 4Å; F88-C179 HydrophobicContact CE2-CB 3.87Å; F88-C179 HydrophobicContact CZ-CB 3.62Å; F88-C179 PolarHBondContact N-O 2.58Å; F88-C179 PolarHBondContact O-N 3.3Å; C108-C179 WeakPolarHBondContact CA-SG 3.37Å; C108-C179 HydrophobicContact CB-CB 3.84Å; C108-C179 WeakPolarHBondContact CB-SG 3.36Å; C108-C179 VanDerWaalsContact SG-CA 3.55Å; C108-C179 WeakPolarHBondContact SG-CB 3.24Å; C108-C179 CovalentContact SG-SG 2.05Å; C108-C179 PolarHBondContact SG-SG 3.21Å; A113-C179 HydrophobicContact CB-CB 3.84Å; S114-C179 CarbonylContact O-C 3.55Å; S114-C179 WeakPolarHBondContact O-CA 3.46Å; S114-C179 WeakPolarHBondContact O-CB 3.28Å |
| 180 | Y | 97.1 | Very high | 94.1 | Very high | 41 Ų | 41 | 47 Ų | 47 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133 | 173.5 | 175 | -95.6 | 0 | 0 | 0 | 109.7 | G85 V86 V87 A113 S114 Q120 D182 | G85-Y180 VanDerWaalsContact CA-OH 3.26Å; G85-Y180 WeakPolarHBondContact CA-OH 3.48Å; V86-Y180 WeakPolarHBondContact O-CA 3.25Å; V87-Y180 HydrophobicContact CG2-CD2 3.95Å; A113-Y180 CarbonylContact C-O 3.57Å; A113-Y180 WeakPolarHBondContact CA-O 3.48Å; A113-Y180 WeakPolarHBondContact CB-O 3.4Å; S114-Y180 PolarHBondContact N-O 2.93Å; S114-Y180 PolarHBondContact O-N 2.9Å; S114-Y180 PolarHBondContact OG-O 2.97Å; Q120-Y180 HydrophobicContact CB-CD2 4.33Å; Q120-Y180 HydrophobicContact CG-CD2 4.05Å; Q120-Y180 HydrophobicContact CG-CE2 4.21Å; Q120-Y180 HydrophobicContact CG-CG 4.49Å; Q120-Y180 VanDerWaalsContact NE2-CD1 3.28Å; Y180-D182 HydrophobicContact CE1-CB 3.71Å; Y180-D182 PolarHBondContact OH-OD1 2.64Å |
| 181 | V | 94.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.8 | 167.2 | 60.6 | 0 | 0 | 0 | 0 | 107.9 | G85 V86 F88 A113 G217 H220 A221 | G85-V181 CarbonylContact C-O 3.56Å; G85-V181 VanDerWaalsContact CA-O 3.29Å; G85-V181 WeakPolarHBondContact CA-O 3.24Å; V86-V181 HydrophobicContact CG1-CG1 3.44Å; V86-V181 VanDerWaalsContact CG1-CG1 3.44Å; V86-V181 PolarHBondContact N-O 2.88Å; V86-V181 PolarHBondContact O-N 2.86Å; V86-V181 VanDerWaalsContact O-N 3.12Å; F88-V181 HydrophobicContact CD1-CG1 4.39Å; F88-V181 HydrophobicContact CE1-CB 4.37Å; F88-V181 HydrophobicContact CE1-CG1 3.93Å; A113-V181 HydrophobicContact CB-CB 4.33Å; V181-G217 WeakPolarHBondContact CG1-O 3.12Å; V181-H220 HydrophobicContact CG1-CB 4.31Å; V181-A221 HydrophobicContact CG1-CB 4.06Å; V181-A221 HydrophobicContact CG2-CB 4.08Å |
| 182 | D | 87.1 | Confident | 94.2 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 46% | 0.46 | 23% | 0.227 | S | C | . | . | trans | -87.1 | -95 | -171.6 | -167.5 | 42.8 | 0 | 0 | 0 | 111.8 | G85 Y180 | G85-D182 WeakPolarHBondContact CA-O 3.45Å; G85-D182 PolarHBondContact N-O 3.13Å; Y180-D182 HydrophobicContact CE1-CB 3.71Å; Y180-D182 PolarHBondContact OH-OD1 2.64Å | ||
| 183 | K | 84.3 | Confident | 94 | Very high | 121 Ų | 121 | 39.4 Ų | 39.4 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | trans | -104 | 156.8 | 173.2 | -169.5 | 171.3 | 179.5 | 177.6 | 0 | 110.9 | ||||
| 184 | L | 88.8 | Confident | 93.5 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | trans | -91.6 | 111.4 | 168.7 | -173.8 | 72.3 | 0 | 0 | 0 | 110 | G186 V188 Q218 A221 A222 M225 F282 | L184-G186 VanDerWaalsContact CD2-O 3.29Å; L184-G186 WeakPolarHBondContact CD2-O 3.43Å; L184-G186 WeakPolarHBondContact CG-O 3.48Å; L184-G186 PolarHBondContact O-N 3.49Å; L184-G186 VanDerWaalsContact O-N 3.14Å; L184-V188 HydrophobicContact CD1-CG2 4.1Å; L184-V188 HydrophobicContact CD2-CG2 4.1Å; L184-Q218 HydrophobicContact CD1-CB 3.87Å; L184-Q218 HydrophobicContact CD1-CG 3.92Å; L184-A221 HydrophobicContact CB-CB 3.92Å; L184-A221 HydrophobicContact CD1-CB 4.32Å; L184-A222 HydrophobicContact CD2-CB 3.96Å; L184-M225 HydrophobicContact CB-SD 3.7Å; L184-M225 HydrophobicContact CD2-SD 4.24Å; L184-F282 HydrophobicContact CD1-CD2 4.13Å; L184-F282 HydrophobicContact CD1-CE2 3.77Å; L184-F282 HydrophobicContact CG-CE2 4.27Å | ||
| 185 | D | 88.1 | Confident | 93.3 | Very high | 123 Ų | 123 | 41.9 Ų | 41.9 | 66% | 0.658 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -88.7 | 59.7 | 175.3 | -63.5 | -47.5 | 0 | 0 | 0 | 111.4 | ||
| 186 | G | 90.9 | Very high | 93.3 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 12% | 0.124 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 159.8 | -158.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L184 R283 | L184-G186 VanDerWaalsContact CD2-O 3.29Å; L184-G186 WeakPolarHBondContact CD2-O 3.43Å; L184-G186 WeakPolarHBondContact CG-O 3.48Å; L184-G186 PolarHBondContact O-N 3.49Å; L184-G186 VanDerWaalsContact O-N 3.14Å; G186-R283 WeakPolarHBondContact CA-O 3.36Å |
| 187 | E | 94.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.9 | -176.9 | -175.7 | -172.3 | -177.4 | 0 | 0 | 110.7 | F189 F282 R283 T285 | E187-F189 HydrophobicContact CG-CD1 4.49Å; E187-F282 WeakPolarHBondContact O-CA 3.25Å; E187-F282 WeakPolarHBondContact O-CD2 3.42Å; E187-R283 HydrophobicContact CB-CG 4.24Å; E187-R283 PolarHBondContact N-O 2.81Å; E187-R283 PolarHBondContact O-N 3.15Å; E187-R283 IonicContact OE1-NH2 2.7Å; E187-R283 IonicContact OE2-CZ 3.89Å; E187-R283 IonicContact OE2-NE 2.67Å; E187-R283 PolarHBondContact OE2-NE 3.4Å; E187-R283 IonicContact OE2-NH2 3.13Å; E187-R283 PolarHBondContact OE2-NH2 2.84Å; E187-T285 HydrophobicContact CB-CG2 4.28Å |
| 188 | V | 96.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.7 | 163.5 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | L184 A214 Q218 L219 A222 L227 Y280 C281 F282 | L184-V188 HydrophobicContact CD1-CG2 4.1Å; L184-V188 HydrophobicContact CD2-CG2 4.1Å; V188-A214 HydrophobicContact CG1-CB 3.94Å; V188-A214 HydrophobicContact CG2-CB 4.1Å; V188-Q218 HydrophobicContact CG2-CB 3.89Å; V188-L219 HydrophobicContact CG1-CD1 4.15Å; V188-A222 HydrophobicContact CB-CB 3.66Å; V188-A222 HydrophobicContact CG1-CB 4.32Å; V188-A222 HydrophobicContact CG2-CB 3.92Å; V188-L227 HydrophobicContact CB-CD2 4.24Å; V188-L227 HydrophobicContact CG1-CD2 3.87Å; V188-Y280 HydrophobicContact CG1-CD1 4.23Å; V188-C281 VanDerWaalsContact CA-O 3.31Å; V188-C281 WeakPolarHBondContact CA-O 3.39Å; V188-F282 HydrophobicContact CG2-CB 4.35Å; V188-F282 HydrophobicContact CG2-CD2 3.86Å |
| 189 | F | 96.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 164.6 | 176.5 | 64.8 | -82.6 | 0 | 0 | 0 | 110.7 | E187 Y209 A211 Y280 C281 R283 | E187-F189 HydrophobicContact CG-CD1 4.49Å; F189-Y209 HydrophobicContact CE2-CD2 4.37Å; F189-Y209 HydrophobicContact CE2-CG 4.26Å; F189-Y209 HydrophobicContact CZ-CG 4.36Å; F189-A211 HydrophobicContact CE1-CB 3.87Å; F189-A211 HydrophobicContact CZ-CB 3.77Å; F189-Y280 CarbonylContact O-C 3.53Å; F189-Y280 WeakPolarHBondContact O-CA 3.01Å; F189-C281 HydrophobicContact CD1-CB 4.3Å; F189-C281 WeakPolarHBondContact CD1-O 3.18Å; F189-C281 HydrophobicContact CD2-CB 4.31Å; F189-C281 HydrophobicContact CE1-CB 3.77Å; F189-C281 HydrophobicContact CE2-CB 3.8Å; F189-C281 HydrophobicContact CZ-CB 3.5Å; F189-C281 VanDerWaalsContact CZ-CB 3.5Å; F189-C281 PolarHBondContact N-O 2.9Å; F189-C281 PolarHBondContact O-N 3.45Å; F189-R283 HydrophobicContact CE1-CG 4.03Å |
| 190 | Y | 97.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 11% | 0.114 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.6 | 173.6 | -170 | -90.4 | 0 | 0 | 0 | 109.1 | K196 R229 D231 G278 A279 Y280 | Y190-K196 PolarHBondContact OH-NZ 2.87Å; Y190-R229 VanDerWaalsContact CD1-NE 3.35Å; Y190-R229 VanDerWaalsContact CD1-NH2 3.33Å; Y190-R229 VanDerWaalsContact CD2-CD 3.47Å; Y190-D231 HydrophobicContact CE2-CB 4.15Å; Y190-D231 PolarHBondContact OH-OD1 2.9Å; Y190-D231 PolarHBondContact OH-OD2 2.77Å; Y190-G278 VanDerWaalsContact OH-CA 3.24Å; Y190-G278 WeakPolarHBondContact OH-CA 3.42Å; Y190-A279 WeakPolarHBondContact CA-O 3.03Å; Y190-Y280 HydrophobicContact CD2-CD1 4.11Å; Y190-Y280 HydrophobicContact CD2-CD2 4.22Å; Y190-Y280 AromaticContact CD2-CE1 3.71Å; Y190-Y280 HydrophobicContact CD2-CE1 3.71Å; Y190-Y280 AromaticContact CD2-CE2 3.8Å; Y190-Y280 HydrophobicContact CD2-CE2 3.8Å; Y190-Y280 HydrophobicContact CD2-CG 4.34Å; Y190-Y280 AromaticContact CD2-CZ 3.51Å; Y190-Y280 AromaticContact CE2-CE2 3.96Å; Y190-Y280 HydrophobicContact CE2-CE2 3.96Å; Y190-Y280 AromaticContact CE2-CZ 3.95Å |
| 191 | A | 95.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | trans | -59.5 | 130.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A193 E205 A279 | A191-A193 PolarHBondContact O-N 3.39Å; A191-E205 HydrophobicContact CB-CG 3.86Å; A191-A279 HydrophobicContact CB-CB 3.94Å; A191-A279 PolarHBondContact N-O 3.04Å | ||
| 192 | P | 92.4 | Very high | 93.4 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 59% | 0.591 | 32% | 0.32 | S | S | * | . | trans | -80 | 54.7 | 177.6 | 34.4 | -35.5 | 0 | 0 | 0 | 111.6 | Y209 | P192-Y209 HydrophobicContact CG-CE1 4.03Å; P192-Y209 HydrophobicContact CG-CE2 4.36Å | ||
| 193 | A | 90.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | trans | -76.9 | 145.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A191 G195 L197 E205 | A191-A193 PolarHBondContact O-N 3.39Å; A193-G195 PolarHBondContact O-N 2.84Å; A193-G195 VanDerWaalsContact O-N 3.1Å; A193-L197 HydrophobicContact CB-CD1 3.87Å; A193-L197 HydrophobicContact CB-CD2 4.21Å; A193-L197 HydrophobicContact CB-CG 4.2Å; A193-E205 HydrophobicContact CB-CG 4.25Å | ||
| 194 | A | 85.5 | Confident | 94.4 | Very high | 121 Ų | 121 | 52 Ų | 52 | 100% | 1 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -68.6 | -4.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 195 | G | 91.7 | Very high | 94.9 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -170.4 | -174.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A193 | A193-G195 PolarHBondContact O-N 2.84Å; A193-G195 VanDerWaalsContact O-N 3.1Å |
| 196 | K | 96.3 | Very high | 95.3 | Very high | 85 Ų | 85 | 46.2 Ų | 46.2 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | trans | -83.6 | 143.1 | 179.2 | -58.5 | -66.5 | 173.2 | -178.2 | 0 | 111.7 | Y190 D231 K276 F277 | Y190-K196 PolarHBondContact OH-NZ 2.87Å; K196-D231 IonicContact NZ-OD1 3.18Å; K196-D231 PolarHBondContact NZ-OD1 3.36Å; K196-D231 IonicContact NZ-OD2 3.35Å; K196-D231 PolarHBondContact NZ-OD2 3.49Å; K196-K276 HydrophobicContact CB-CB 3.74Å; K196-K276 WeakPolarHBondContact O-CD 3.27Å; K196-K276 PolarHBondContact O-NZ 3.41Å; K196-F277 CarbonylContact C-O 3.59Å; K196-F277 WeakPolarHBondContact CA-O 3.43Å | ||
| 197 | L | 97.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -119.6 | 139.2 | -166.2 | -51.9 | 179.1 | 0 | 0 | 0 | 111.1 | A193 E201 A202 E205 W234 K276 F277 A279 | A193-L197 HydrophobicContact CB-CD1 3.87Å; A193-L197 HydrophobicContact CB-CD2 4.21Å; A193-L197 HydrophobicContact CB-CG 4.2Å; L197-E201 HydrophobicContact CB-CB 3.87Å; L197-E201 HydrophobicContact CD2-CB 4.13Å; L197-E201 HydrophobicContact CG-CB 4.49Å; L197-A202 HydrophobicContact CB-CB 4.08Å; L197-A202 HydrophobicContact CD1-CB 4.33Å; L197-E205 HydrophobicContact CD1-CB 3.66Å; L197-E205 HydrophobicContact CD1-CG 3.87Å; L197-W234 PolarHBondContact O-NE1 3.09Å; L197-K276 CarbonylContact O-C 3.52Å; L197-K276 WeakPolarHBondContact O-CA 3.46Å; L197-F277 PolarHBondContact N-O 3.13Å; L197-F277 PolarHBondContact O-N 3.24Å; L197-A279 HydrophobicContact CD1-CB 4.46Å |
| 198 | T | 97.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | trans | -63.6 | 165.6 | 162.1 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | L200 E201 A202 P273 F274 M275 K276 | T198-L200 PolarHBondContact O-N 3.36Å; T198-E201 VanDerWaalsContact CB-OE2 3.32Å; T198-E201 WeakPolarHBondContact CB-OE2 3.45Å; T198-E201 VanDerWaalsContact CG2-OE2 3.28Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.42Å; T198-E201 PolarHBondContact N-OE2 2.9Å; T198-E201 PolarHBondContact O-N 2.81Å; T198-E201 WeakPolarHBondContact OG1-CB 3.48Å; T198-E201 VanDerWaalsContact OG1-CD 3.27Å; T198-E201 VanDerWaalsContact OG1-CG 3.25Å; T198-E201 WeakPolarHBondContact OG1-CG 3.4Å; T198-E201 PolarHBondContact OG1-N 2.03Å; T198-E201 PolarHBondContact OG1-OE2 2.97Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; T198-A202 PolarHBondContact O-N 3.43Å; T198-P273 WeakPolarHBondContact CB-O 3.26Å; T198-F274 WeakPolarHBondContact CG2-O 3.45Å; T198-M275 WeakPolarHBondContact CA-O 3.42Å; T198-K276 HydrophobicContact CG2-CG 3.93Å | ||
| 199 | F | 96.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 25% | 0.254 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57 | -37.3 | 178.8 | 178.3 | -107.2 | 0 | 0 | 0 | 112.6 | T203 L213 W234 L235 P273 | F199-T203 PolarHBondContact O-N 2.99Å; F199-T203 PolarHBondContact O-OG1 3.36Å; F199-L213 HydrophobicContact CD2-CD1 4.12Å; F199-L213 HydrophobicContact CE2-CD1 3.64Å; F199-L213 HydrophobicContact CZ-CD1 4.24Å; F199-W234 HydrophobicContact CB-CD2 3.93Å; F199-W234 HydrophobicContact CB-CE3 4.08Å; F199-W234 HydrophobicContact CB-CH2 4.2Å; F199-W234 HydrophobicContact CB-CZ2 4.03Å; F199-W234 HydrophobicContact CB-CZ3 4.21Å; F199-W234 HydrophobicContact CD2-CB 4.28Å; F199-W234 AromaticContact CD2-CD2 3.89Å; F199-W234 HydrophobicContact CD2-CD2 3.89Å; F199-W234 AromaticContact CD2-CE3 3.62Å; F199-W234 HydrophobicContact CD2-CE3 3.62Å; F199-W234 HydrophobicContact CD2-CG 4.21Å; F199-W234 HydrophobicContact CD2-CZ3 4.23Å; F199-W234 HydrophobicContact CG-CD2 4.42Å; F199-W234 HydrophobicContact CG-CE3 4.27Å; F199-L235 WeakPolarHBondContact CE2-O 3.39Å; F199-P273 HydrophobicContact CB-CB 3.99Å; F199-P273 PolarHBondContact N-O 3.27Å |
| 200 | L | 96.9 | Very high | 95.5 | Very high | 121 Ų | 121 | 65.4 Ų | 65.4 | 63% | 0.634 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72 | -48.3 | 176.7 | -175.6 | 61.2 | 0 | 0 | 0 | 111.9 | T198 A202 T203 E204 | T198-L200 PolarHBondContact O-N 3.36Å; L200-A202 PolarHBondContact O-N 2.73Å; L200-T203 WeakPolarHBondContact O-CB 3.18Å; L200-T203 PolarHBondContact O-N 2.87Å; L200-T203 VanDerWaalsContact O-N 3.15Å; L200-E204 PolarHBondContact O-N 3.35Å |
| 201 | E | 97.4 | Very high | 95.5 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 174.6 | -72.2 | 163.6 | 136.5 | 0 | 0 | 111.6 | L197 T198 E204 E205 K276 | L197-E201 HydrophobicContact CB-CB 3.87Å; L197-E201 HydrophobicContact CD2-CB 4.13Å; L197-E201 HydrophobicContact CG-CB 4.49Å; T198-E201 VanDerWaalsContact CB-OE2 3.32Å; T198-E201 WeakPolarHBondContact CB-OE2 3.45Å; T198-E201 VanDerWaalsContact CG2-OE2 3.28Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.42Å; T198-E201 PolarHBondContact N-OE2 2.9Å; T198-E201 PolarHBondContact O-N 2.81Å; T198-E201 WeakPolarHBondContact OG1-CB 3.48Å; T198-E201 VanDerWaalsContact OG1-CD 3.27Å; T198-E201 VanDerWaalsContact OG1-CG 3.25Å; T198-E201 WeakPolarHBondContact OG1-CG 3.4Å; T198-E201 PolarHBondContact OG1-N 2.03Å; T198-E201 PolarHBondContact OG1-OE2 2.97Å; E201-E204 PolarHBondContact O-N 3.17Å; E201-E205 WeakPolarHBondContact O-CB 3.32Å; E201-E205 PolarHBondContact O-N 3.36Å; E201-K276 IonicContact OE1-NZ 3.54Å; E201-K276 PolarHBondContact OE1-NZ 2.53Å; E201-K276 IonicContact OE2-NZ 3.29Å; E201-K276 PolarHBondContact OE2-NZ 3.11Å |
| 202 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L197 T198 L200 E205 C206 L213 W234 A279 | L197-A202 HydrophobicContact CB-CB 4.08Å; L197-A202 HydrophobicContact CD1-CB 4.33Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; T198-A202 PolarHBondContact O-N 3.43Å; L200-A202 PolarHBondContact O-N 2.73Å; A202-E205 PolarHBondContact O-N 3.04Å; A202-C206 PolarHBondContact O-N 3.09Å; A202-C206 VanDerWaalsContact O-N 3.15Å; A202-C206 PolarHBondContact O-SG 3.33Å; A202-L213 HydrophobicContact CB-CD2 4.21Å; A202-W234 HydrophobicContact CB-CB 4.09Å; A202-W234 HydrophobicContact CB-CG 4.14Å; A202-A279 HydrophobicContact CB-CB 3.73Å |
| 203 | T | 97.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 64.6 Ų | 64.6 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.2 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | F199 L200 K207 L213 | F199-T203 PolarHBondContact O-N 2.99Å; F199-T203 PolarHBondContact O-OG1 3.36Å; L200-T203 WeakPolarHBondContact O-CB 3.18Å; L200-T203 PolarHBondContact O-N 2.87Å; L200-T203 VanDerWaalsContact O-N 3.15Å; T203-K207 WeakPolarHBondContact O-CG 3.31Å; T203-K207 PolarHBondContact O-N 2.85Å; T203-L213 VanDerWaalsContact OG1-CD1 3.32Å; T203-L213 WeakPolarHBondContact OG1-CD1 3.07Å |
| 204 | E | 97.1 | Very high | 96.2 | Very high | 83 Ų | 83 | 63.1 Ų | 63.1 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.2 | -32 | 177.3 | -58.9 | -45.5 | 122.3 | 0 | 0 | 112.9 | L200 E201 K207 K208 | L200-E204 PolarHBondContact O-N 3.35Å; E201-E204 PolarHBondContact O-N 3.17Å; E204-K207 PolarHBondContact O-N 3.22Å; E204-K207 IonicContact OE1-NZ 3.59Å; E204-K207 PolarHBondContact OE1-NZ 3.43Å; E204-K207 VanDerWaalsContact OE2-CD 3.27Å; E204-K207 WeakPolarHBondContact OE2-CD 3.41Å; E204-K207 IonicContact OE2-NZ 3.46Å; E204-K207 PolarHBondContact OE2-NZ 3.07Å; E204-K208 PolarHBondContact O-N 2.77Å |
| 205 | E | 97.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.6 | -169.6 | 66.4 | -153.8 | 0 | 0 | 111.5 | A191 A193 L197 E201 A202 K207 K208 Y209 | A191-E205 HydrophobicContact CB-CG 3.86Å; A193-E205 HydrophobicContact CB-CG 4.25Å; L197-E205 HydrophobicContact CD1-CB 3.66Å; L197-E205 HydrophobicContact CD1-CG 3.87Å; E201-E205 WeakPolarHBondContact O-CB 3.32Å; E201-E205 PolarHBondContact O-N 3.36Å; A202-E205 PolarHBondContact O-N 3.04Å; E205-K207 VanDerWaalsContact C-N 3.31Å; E205-K207 PolarHBondContact O-N 3.34Å; E205-K208 WeakPolarHBondContact O-CB 3.28Å; E205-K208 PolarHBondContact O-N 2.77Å; E205-K208 WeakPolarHBondContact OE2-CE 3.25Å; E205-K208 IonicContact OE2-NZ 2.69Å; E205-K208 PolarHBondContact OE2-NZ 2.74Å; E205-Y209 HydrophobicContact CG-CE2 4.11Å; E205-Y209 WeakPolarHBondContact O-CD2 3.44Å; E205-Y209 WeakPolarHBondContact O-CE2 3.47Å; E205-Y209 VanDerWaalsContact OE1-CE2 3.31Å; E205-Y209 WeakPolarHBondContact OE1-CE2 3.31Å; E205-Y209 PolarHBondContact OE1-OH 3.02Å; E205-Y209 VanDerWaalsContact OE1-OH 3.07Å |
| 206 | C | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 176 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | A202 K208 Y209 A211 C281 | A202-C206 PolarHBondContact O-N 3.09Å; A202-C206 VanDerWaalsContact O-N 3.15Å; A202-C206 PolarHBondContact O-SG 3.33Å; C206-K208 PolarHBondContact O-N 2.82Å; C206-Y209 PolarHBondContact O-N 3.41Å; C206-A211 CarbonylContact C-O 3.55Å; C206-A211 HydrophobicContact CB-CB 4.29Å; C206-A211 CarbonylContact O-C 3.59Å; C206-A211 WeakPolarHBondContact O-CA 3.37Å; C206-A211 WeakPolarHBondContact O-CB 3.4Å; C206-A211 PolarHBondContact O-N 3.23Å; C206-A211 VanDerWaalsContact O-O 3.1Å; C206-C281 WeakPolarHBondContact CA-SG 3.48Å; C206-C281 HydrophobicContact CB-CB 3.75Å; C206-C281 WeakPolarHBondContact CB-SG 3.39Å; C206-C281 VanDerWaalsContact SG-CA 3.51Å; C206-C281 WeakPolarHBondContact SG-CB 3.2Å; C206-C281 CovalentContact SG-SG 2.04Å; C206-C281 PolarHBondContact SG-SG 3.35Å |
| 207 | K | 97.2 | Very high | 97 | Very high | 106 Ų | 106 | 51.6 Ų | 51.6 | 46% | 0.461 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.2 | -33.4 | 178.7 | -71.1 | 171.4 | -175.8 | 171.4 | 0 | 113 | T203 E204 E205 Y209 K210 A211 | T203-K207 WeakPolarHBondContact O-CG 3.31Å; T203-K207 PolarHBondContact O-N 2.85Å; E204-K207 PolarHBondContact O-N 3.22Å; E204-K207 IonicContact OE1-NZ 3.59Å; E204-K207 PolarHBondContact OE1-NZ 3.43Å; E204-K207 VanDerWaalsContact OE2-CD 3.27Å; E204-K207 WeakPolarHBondContact OE2-CD 3.41Å; E204-K207 IonicContact OE2-NZ 3.46Å; E204-K207 PolarHBondContact OE2-NZ 3.07Å; E205-K207 VanDerWaalsContact C-N 3.31Å; E205-K207 PolarHBondContact O-N 3.34Å; K207-Y209 PolarHBondContact O-N 2.99Å; K207-K210 PolarHBondContact O-N 2.9Å; K207-A211 WeakPolarHBondContact CA-O 3.22Å; K207-A211 PolarHBondContact N-O 2.95Å |
| 208 | K | 96.2 | Very high | 97 | Very high | 140 Ų | 140 | 52.8 Ų | 52.8 | 61% | 0.609 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -57.6 | -32.4 | 175.7 | -63.2 | 172.2 | -171.3 | 173 | 0 | 112.5 | E204 E205 C206 K210 | E204-K208 PolarHBondContact O-N 2.77Å; E205-K208 WeakPolarHBondContact O-CB 3.28Å; E205-K208 PolarHBondContact O-N 2.77Å; E205-K208 WeakPolarHBondContact OE2-CE 3.25Å; E205-K208 IonicContact OE2-NZ 2.69Å; E205-K208 PolarHBondContact OE2-NZ 2.74Å; C206-K208 PolarHBondContact O-N 2.82Å; K208-K210 VanDerWaalsContact C-N 3.34Å |
| 209 | Y | 94.9 | Very high | 97 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 18.7 | 179 | -54.7 | -76.6 | 0 | 0 | 0 | 113.2 | F189 P192 E205 C206 K207 A211 | F189-Y209 HydrophobicContact CE2-CD2 4.37Å; F189-Y209 HydrophobicContact CE2-CG 4.26Å; F189-Y209 HydrophobicContact CZ-CG 4.36Å; P192-Y209 HydrophobicContact CG-CE1 4.03Å; P192-Y209 HydrophobicContact CG-CE2 4.36Å; E205-Y209 HydrophobicContact CG-CE2 4.11Å; E205-Y209 WeakPolarHBondContact O-CD2 3.44Å; E205-Y209 WeakPolarHBondContact O-CE2 3.47Å; E205-Y209 VanDerWaalsContact OE1-CE2 3.31Å; E205-Y209 WeakPolarHBondContact OE1-CE2 3.31Å; E205-Y209 PolarHBondContact OE1-OH 3.02Å; E205-Y209 VanDerWaalsContact OE1-OH 3.07Å; C206-Y209 PolarHBondContact O-N 3.41Å; K207-Y209 PolarHBondContact O-N 2.99Å; Y209-A211 PolarHBondContact O-N 2.9Å |
| 210 | K | 95.5 | Very high | 96.9 | Very high | 199 Ų | 199 | 49.4 Ų | 49.4 | 87% | 0.865 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 30.7 | -171.7 | -55.7 | -178.1 | 179.9 | -179.9 | 0 | 113.4 | K207 K208 | K207-K210 PolarHBondContact O-N 2.9Å; K208-K210 VanDerWaalsContact C-N 3.34Å |
| 211 | A | 96.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | trans | -116.1 | 163.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F189 C206 K207 Y209 C281 F282 R283 | F189-A211 HydrophobicContact CE1-CB 3.87Å; F189-A211 HydrophobicContact CZ-CB 3.77Å; C206-A211 CarbonylContact C-O 3.55Å; C206-A211 HydrophobicContact CB-CB 4.29Å; C206-A211 CarbonylContact O-C 3.59Å; C206-A211 WeakPolarHBondContact O-CA 3.37Å; C206-A211 WeakPolarHBondContact O-CB 3.4Å; C206-A211 PolarHBondContact O-N 3.23Å; C206-A211 VanDerWaalsContact O-O 3.1Å; K207-A211 WeakPolarHBondContact CA-O 3.22Å; K207-A211 PolarHBondContact N-O 2.95Å; Y209-A211 PolarHBondContact O-N 2.9Å; A211-C281 HydrophobicContact CB-CB 3.83Å; A211-F282 WeakPolarHBondContact CA-O 3.42Å; A211-F282 VanDerWaalsContact CB-O 3.3Å; A211-F282 WeakPolarHBondContact CB-O 3.47Å; A211-R283 HydrophobicContact CB-CB 4.19Å | ||
| 212 | V | 97.2 | Very high | 96.6 | Very high | 89 Ų | 89 | 40.3 Ų | 40.3 | 54% | 0.539 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 169.3 | 166.7 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | A214 C281 F282 | V212-A214 PolarHBondContact O-N 3.37Å; V212-C281 CarbonylContact O-C 3.56Å; V212-C281 WeakPolarHBondContact O-CA 3.39Å; V212-F282 HydrophobicContact CG2-CB 4.49Å; V212-F282 HydrophobicContact CG2-CD1 4.4Å; V212-F282 PolarHBondContact N-O 3.46Å; V212-F282 PolarHBondContact O-N 3.44Å |
| 213 | L | 98 | Very high | 96.4 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 133.1 | 164.1 | -77.8 | 172.3 | 0 | 0 | 0 | 109.1 | F199 A202 T203 W234 A279 | F199-L213 HydrophobicContact CD2-CD1 4.12Å; F199-L213 HydrophobicContact CE2-CD1 3.64Å; F199-L213 HydrophobicContact CZ-CD1 4.24Å; A202-L213 HydrophobicContact CB-CD2 4.21Å; T203-L213 VanDerWaalsContact OG1-CD1 3.32Å; T203-L213 WeakPolarHBondContact OG1-CD1 3.07Å; L213-W234 HydrophobicContact CD2-CB 4.16Å; L213-A279 HydrophobicContact CD2-CB 4.06Å |
| 214 | A | 98 | Very high | 96 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 146.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V188 V212 Q218 L235 S236 Y280 F282 | V188-A214 HydrophobicContact CG1-CB 3.94Å; V188-A214 HydrophobicContact CG2-CB 4.1Å; V212-A214 PolarHBondContact O-N 3.37Å; A214-Q218 HydrophobicContact CB-CB 4.48Å; A214-L235 HydrophobicContact CB-CD2 3.95Å; A214-L235 CarbonylContact O-C 3.57Å; A214-L235 WeakPolarHBondContact O-CA 3.34Å; A214-L235 WeakPolarHBondContact O-CB 3.05Å; A214-L235 VanDerWaalsContact O-CD2 3.25Å; A214-L235 WeakPolarHBondContact O-CD2 3.11Å; A214-S236 PolarHBondContact O-N 3.02Å; A214-Y280 PolarHBondContact N-O 3.24Å; A214-F282 HydrophobicContact CB-CB 3.89Å |
| 215 | S | 97.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 162.7 | 171.8 | 86.3 | 0 | 0 | 0 | 0 | 111.7 | I111 G217 Q218 L219 S236 | I111-S215 WeakPolarHBondContact O-CB 3.04Å; I111-S215 PolarHBondContact O-OG 3.02Å; S215-G217 VanDerWaalsContact C-N 3.31Å; S215-G217 PolarHBondContact O-N 3.22Å; S215-G217 PolarHBondContact OG-N 3.04Å; S215-Q218 PolarHBondContact O-N 3.29Å; S215-Q218 WeakPolarHBondContact OG-CG 3.47Å; S215-Q218 PolarHBondContact OG-N 2.99Å; S215-L219 PolarHBondContact O-N 3.33Å; S215-S236 WeakPolarHBondContact CA-OG 3.39Å |
| 216 | T | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -37.6 | 174.2 | -77.5 | 0 | 0 | 0 | 0 | 112.3 | F88 Y90 I111 H220 L235 D237 R241 | F88-T216 HydrophobicContact CD2-CG2 4.42Å; F88-T216 HydrophobicContact CE2-CG2 3.76Å; F88-T216 HydrophobicContact CZ-CG2 4.3Å; Y90-T216 HydrophobicContact CD2-CG2 4.04Å; Y90-T216 HydrophobicContact CE2-CG2 4.23Å; I111-T216 HydrophobicContact CD1-CG2 4.19Å; T216-H220 PolarHBondContact O-N 2.66Å; T216-H220 PolarHBondContact O-ND1 3.46Å; T216-L235 WeakPolarHBondContact OG1-CD1 3.39Å; T216-D237 WeakPolarHBondContact CB-OD2 3.17Å; T216-D237 PolarHBondContact OG1-OD2 2.99Å; T216-R241 VanDerWaalsContact CG2-CZ 3.41Å; T216-R241 PolarHBondContact OG1-NE 2.03Å; T216-R241 PolarHBondContact OG1-NH2 2.98Å |
| 217 | G | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -49.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | I111 V181 S215 L219 H220 A221 | I111-G217 WeakPolarHBondContact O-CA 3.22Å; I111-G217 PolarHBondContact O-N 2.87Å; V181-G217 WeakPolarHBondContact CG1-O 3.12Å; S215-G217 VanDerWaalsContact C-N 3.31Å; S215-G217 PolarHBondContact O-N 3.22Å; S215-G217 PolarHBondContact OG-N 3.04Å; G217-L219 VanDerWaalsContact C-N 3.33Å; G217-L219 PolarHBondContact O-N 2.77Å; G217-H220 PolarHBondContact O-N 2.81Å; G217-H220 VanDerWaalsContact O-N 3.08Å; G217-A221 PolarHBondContact O-N 2.98Å |
| 218 | Q | 96.8 | Very high | 94.7 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -41.5 | 178.5 | -71.3 | 167.6 | -14.2 | 0 | 0 | 112.4 | L184 V188 A214 S215 H220 A221 A222 F282 | L184-Q218 HydrophobicContact CD1-CB 3.87Å; L184-Q218 HydrophobicContact CD1-CG 3.92Å; V188-Q218 HydrophobicContact CG2-CB 3.89Å; A214-Q218 HydrophobicContact CB-CB 4.48Å; S215-Q218 PolarHBondContact O-N 3.29Å; S215-Q218 WeakPolarHBondContact OG-CG 3.47Å; S215-Q218 PolarHBondContact OG-N 2.99Å; Q218-H220 PolarHBondContact O-N 2.88Å; Q218-A221 PolarHBondContact O-N 3.15Å; Q218-A222 WeakPolarHBondContact O-CB 3.4Å; Q218-A222 PolarHBondContact O-N 2.66Å; Q218-F282 HydrophobicContact CB-CD2 4.47Å; Q218-F282 VanDerWaalsContact CD-CG 3.5Å; Q218-F282 HydrophobicContact CG-CD2 4.2Å; Q218-F282 HydrophobicContact CG-CE2 4.43Å; Q218-F282 HydrophobicContact CG-CG 4.43Å; Q218-F282 VanDerWaalsContact NE2-CD1 3.27Å; Q218-F282 VanDerWaalsContact OE1-CB 3.3Å; Q218-F282 VanDerWaalsContact OE1-CG 3.32Å |
| 219 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -37.1 | 176 | -173 | 68 | 0 | 0 | 0 | 112.5 | V188 S215 G217 W223 L227 L235 R241 P243 V258 Y280 | V188-L219 HydrophobicContact CG1-CD1 4.15Å; S215-L219 PolarHBondContact O-N 3.33Å; G217-L219 VanDerWaalsContact C-N 3.33Å; G217-L219 PolarHBondContact O-N 2.77Å; L219-W223 WeakPolarHBondContact O-CB 3.22Å; L219-W223 PolarHBondContact O-N 3.29Å; L219-L227 HydrophobicContact CD1-CD2 3.95Å; L219-L235 HydrophobicContact CB-CD1 4.33Å; L219-L235 HydrophobicContact CB-CD2 4.13Å; L219-L235 HydrophobicContact CD2-CD1 3.84Å; L219-L235 HydrophobicContact CD2-CD2 4.13Å; L219-L235 HydrophobicContact CD2-CG 4.45Å; L219-R241 HydrophobicContact CD2-CB 3.76Å; L219-P243 HydrophobicContact CD1-CG 4.18Å; L219-V258 HydrophobicContact CD2-CG1 3.77Å; L219-V258 HydrophobicContact CG-CG1 4.41Å; L219-V258 HydrophobicContact CG-CG2 4.47Å; L219-Y280 HydrophobicContact CD1-CD1 3.65Å; L219-Y280 HydrophobicContact CD1-CD2 4.46Å; L219-Y280 HydrophobicContact CD1-CE1 3.97Å; L219-Y280 HydrophobicContact CD1-CG 3.93Å |
| 220 | H | 95.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 6% | 0.06 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -41.2 | 175.6 | -76.1 | 88.3 | 0 | 0 | 0 | 112 | V86 F88 V181 T216 G217 Q218 W223 R224 | V86-H220 HydrophobicContact CG1-CB 3.89Å; F88-H220 VanDerWaalsContact CB-CD2 3.44Å; F88-H220 WeakPolarHBondContact CB-CD2 3.41Å; F88-H220 WeakPolarHBondContact CB-NE2 3.34Å; F88-H220 HydrophobicContact CD1-CB 3.96Å; F88-H220 AromaticContact CD1-CG 3.78Å; F88-H220 AromaticContact CD2-CE1 3.59Å; F88-H220 AromaticContact CD2-ND1 3.86Å; F88-H220 AromaticContact CD2-NE2 3.87Å; F88-H220 HydrophobicContact CE1-CB 4.26Å; F88-H220 HydrophobicContact CG-CB 4.45Å; F88-H220 AromaticContact CG-CD2 3.67Å; F88-H220 AromaticContact CG-CE1 3.78Å; F88-H220 AromaticContact CG-CG 3.78Å; F88-H220 AromaticContact CG-ND1 3.85Å; F88-H220 AromaticContact CG-NE2 3.69Å; V181-H220 HydrophobicContact CG1-CB 4.31Å; T216-H220 PolarHBondContact O-N 2.66Å; T216-H220 PolarHBondContact O-ND1 3.46Å; G217-H220 PolarHBondContact O-N 2.81Å; G217-H220 VanDerWaalsContact O-N 3.08Å; Q218-H220 PolarHBondContact O-N 2.88Å; H220-W223 WeakPolarHBondContact O-CB 3.46Å; H220-W223 PolarHBondContact O-N 3.41Å; H220-R224 PolarHBondContact O-N 2.99Å |
| 221 | A | 94 | Very high | 94.1 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V181 L184 G217 Q218 W223 R224 M225 | V181-A221 HydrophobicContact CG1-CB 4.06Å; V181-A221 HydrophobicContact CG2-CB 4.08Å; L184-A221 HydrophobicContact CB-CB 3.92Å; L184-A221 HydrophobicContact CD1-CB 4.32Å; G217-A221 PolarHBondContact O-N 2.98Å; Q218-A221 PolarHBondContact O-N 3.15Å; A221-W223 VanDerWaalsContact C-N 3.34Å; A221-W223 PolarHBondContact O-N 3.46Å; A221-R224 WeakPolarHBondContact O-CB 3.45Å; A221-R224 PolarHBondContact O-N 3.49Å; A221-R224 VanDerWaalsContact O-N 3.16Å; A221-M225 PolarHBondContact O-N 3.48Å; A221-M225 VanDerWaalsContact O-N 3.09Å |
| 222 | A | 93.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L184 V188 Q218 R224 M225 G226 L227 | L184-A222 HydrophobicContact CD2-CB 3.96Å; V188-A222 HydrophobicContact CB-CB 3.66Å; V188-A222 HydrophobicContact CG1-CB 4.32Å; V188-A222 HydrophobicContact CG2-CB 3.92Å; Q218-A222 WeakPolarHBondContact O-CB 3.4Å; Q218-A222 PolarHBondContact O-N 2.66Å; A222-R224 VanDerWaalsContact C-N 3.34Å; A222-R224 PolarHBondContact O-N 2.72Å; A222-M225 CarbonylContact O-C 3.54Å; A222-M225 WeakPolarHBondContact O-CA 3.49Å; A222-M225 PolarHBondContact O-N 2.86Å; A222-M225 VanDerWaalsContact O-N 3.13Å; A222-G226 PolarHBondContact O-N 2.82Å; A222-L227 HydrophobicContact CB-CB 4.05Å; A222-L227 HydrophobicContact CB-CD2 3.7Å; A222-L227 WeakPolarHBondContact O-CB 3.43Å; A222-L227 PolarHBondContact O-N 3.1Å |
| 223 | W | 93.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 173.3 | 167.4 | 67 | 0 | 0 | 0 | 112.2 | V86 L219 H220 A221 M225 G226 P243 V244 G257 V258 | V86-W223 HydrophobicContact CG2-CZ3 4.07Å; L219-W223 WeakPolarHBondContact O-CB 3.22Å; L219-W223 PolarHBondContact O-N 3.29Å; H220-W223 WeakPolarHBondContact O-CB 3.46Å; H220-W223 PolarHBondContact O-N 3.41Å; A221-W223 VanDerWaalsContact C-N 3.34Å; A221-W223 PolarHBondContact O-N 3.46Å; W223-M225 VanDerWaalsContact C-N 3.29Å; W223-M225 PolarHBondContact O-N 3.04Å; W223-G226 PolarHBondContact O-N 3.36Å; W223-G226 VanDerWaalsContact O-N 3.09Å; W223-P243 HydrophobicContact CB-CB 3.87Å; W223-P243 HydrophobicContact CG-CB 4.13Å; W223-V244 VanDerWaalsContact NE1-C 3.3Å; W223-V244 PolarHBondContact NE1-O 2.94Å; W223-G257 VanDerWaalsContact CZ2-CA 3.46Å; W223-V258 HydrophobicContact CB-CG2 3.87Å; W223-V258 HydrophobicContact CD2-CG2 4.32Å; W223-V258 HydrophobicContact CG-CG2 4.01Å |
| 224 | R | 89.1 | Confident | 94.1 | Very high | 96 Ų | 96 | 35.7 Ų | 35.7 | 36% | 0.362 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 172.5 | -69.9 | -51.7 | -52.2 | 169.9 | 7.2 | 112.8 | A58 V86 H220 A221 A222 G226 | A58-R224 VanDerWaalsContact CB-NH2 3.32Å; V86-R224 HydrophobicContact CB-CG 3.57Å; V86-R224 HydrophobicContact CG1-CG 3.67Å; V86-R224 HydrophobicContact CG2-CG 4.24Å; H220-R224 PolarHBondContact O-N 2.99Å; A221-R224 WeakPolarHBondContact O-CB 3.45Å; A221-R224 PolarHBondContact O-N 3.49Å; A221-R224 VanDerWaalsContact O-N 3.16Å; A222-R224 VanDerWaalsContact C-N 3.34Å; A222-R224 PolarHBondContact O-N 2.72Å; R224-G226 PolarHBondContact O-N 3.18Å |
| 225 | M | 86.9 | Confident | 94.1 | Very high | 126 Ų | 126 | 35.7 Ų | 35.7 | 62% | 0.621 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 7 | 175.5 | -65.1 | 175.3 | 64.7 | 0 | 0 | 113.8 | L184 A221 A222 W223 | L184-M225 HydrophobicContact CB-SD 3.7Å; L184-M225 HydrophobicContact CD2-SD 4.24Å; A221-M225 PolarHBondContact O-N 3.48Å; A221-M225 VanDerWaalsContact O-N 3.09Å; A222-M225 CarbonylContact O-C 3.54Å; A222-M225 WeakPolarHBondContact O-CA 3.49Å; A222-M225 PolarHBondContact O-N 2.86Å; A222-M225 VanDerWaalsContact O-N 3.13Å; W223-M225 VanDerWaalsContact C-N 3.29Å; W223-M225 PolarHBondContact O-N 3.04Å |
| 226 | G | 89.1 | Confident | 94 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 44% | 0.443 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 7.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A222 W223 R224 D228 | A222-G226 PolarHBondContact O-N 2.82Å; W223-G226 PolarHBondContact O-N 3.36Å; W223-G226 VanDerWaalsContact O-N 3.09Å; R224-G226 PolarHBondContact O-N 3.18Å; G226-D228 PolarHBondContact O-N 3.04Å |
| 227 | L | 92 | Very high | 93.9 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | trans | -64.3 | 105.6 | 174.1 | -178.4 | 64.1 | 0 | 0 | 0 | 110.4 | V188 L219 A222 P243 Y280 | V188-L227 HydrophobicContact CB-CD2 4.24Å; V188-L227 HydrophobicContact CG1-CD2 3.87Å; L219-L227 HydrophobicContact CD1-CD2 3.95Å; A222-L227 HydrophobicContact CB-CB 4.05Å; A222-L227 HydrophobicContact CB-CD2 3.7Å; A222-L227 WeakPolarHBondContact O-CB 3.43Å; A222-L227 PolarHBondContact O-N 3.1Å; L227-P243 HydrophobicContact CD2-CG 4.33Å; L227-P243 HydrophobicContact CG-CG 4.07Å; L227-P243 VanDerWaalsContact O-CB 3.3Å; L227-P243 WeakPolarHBondContact O-CB 3.01Å; L227-P243 WeakPolarHBondContact O-CG 3.49Å; L227-Y280 HydrophobicContact CD2-CD1 4.38Å; L227-Y280 HydrophobicContact CD2-CE1 4.35Å | ||
| 228 | D | 93.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | trans | -118.1 | 115.2 | -177 | -167.7 | 21.7 | 0 | 0 | 0 | 110.4 | G226 V244 V245 H246 R248 | G226-D228 PolarHBondContact O-N 3.04Å; D228-V244 WeakPolarHBondContact OD1-CA 3.48Å; D228-V245 HydrophobicContact CB-CB 3.76Å; D228-V245 HydrophobicContact CB-CG2 3.72Å; D228-V245 PolarHBondContact OD1-N 2.97Å; D228-H246 IonicContact OD2-CE1 3.83Å; D228-H246 IonicContact OD2-CG 2.73Å; D228-H246 PolarHBondContact OD2-N 2.86Å; D228-H246 IonicContact OD2-ND1 3.99Å; D228-H246 PolarHBondContact OD2-ND1 2.71Å; D228-R248 IonicContact OD1-CZ 3.66Å; D228-R248 IonicContact OD1-NH1 2.64Å; D228-R248 IonicContact OD1-NH2 2.75Å; D228-R248 PolarHBondContact OD1-NH2 2.79Å; D228-R248 IonicContact OD2-CZ 3.12Å; D228-R248 IonicContact OD2-NH1 3.74Å; D228-R248 PolarHBondContact OD2-NH1 3.24Å; D228-R248 IonicContact OD2-NH2 2.67Å; D228-R248 PolarHBondContact OD2-NH2 2.89Å | ||
| 229 | R | 91.8 | Very high | 93.7 | Very high | 104 Ų | 104 | 38.8 Ų | 38.8 | 39% | 0.392 | 21% | 0.208 | S | C | . | . | trans | -151.3 | 123 | -179.1 | -162.4 | 179 | -165.1 | 100.2 | -4.7 | 112.3 | Y190 D231 P243 | Y190-R229 VanDerWaalsContact CD1-NE 3.35Å; Y190-R229 VanDerWaalsContact CD1-NH2 3.33Å; Y190-R229 VanDerWaalsContact CD2-CD 3.47Å; R229-D231 HydrophobicContact CG-CB 4.25Å; R229-D231 PolarHBondContact O-N 2.99Å; R229-P243 CarbonylContact C-O 3.46Å; R229-P243 HydrophobicContact CB-CG 4.41Å; R229-P243 PolarHBondContact N-O 3.41Å | ||
| 230 | C | 90.5 | Very high | 93.7 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 45% | 0.453 | 21% | 0.208 | S | C | . | . | trans | -84.5 | 48.7 | 179.3 | -153.3 | 0 | 0 | 0 | 0 | 113.7 | C251 | C230-C251 WeakPolarHBondContact CA-SG 3.35Å; C230-C251 HydrophobicContact CB-CB 4.1Å; C230-C251 WeakPolarHBondContact CB-SG 3.19Å; C230-C251 WeakPolarHBondContact SG-CA 3.44Å; C230-C251 WeakPolarHBondContact SG-CB 3.3Å; C230-C251 CovalentContact SG-SG 2.02Å; C230-C251 PolarHBondContact SG-SG 3.25Å | ||
| 231 | D | 92.5 | Very high | 93.7 | Very high | 54 Ų | 54 | 38.4 Ų | 38.4 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -148.4 | 126.7 | -176.1 | -155 | -34.1 | 0 | 0 | 0 | 111.8 | Y190 K196 R229 H242 Y280 | Y190-D231 HydrophobicContact CE2-CB 4.15Å; Y190-D231 PolarHBondContact OH-OD1 2.9Å; Y190-D231 PolarHBondContact OH-OD2 2.77Å; K196-D231 IonicContact NZ-OD1 3.18Å; K196-D231 PolarHBondContact NZ-OD1 3.36Å; K196-D231 IonicContact NZ-OD2 3.35Å; K196-D231 PolarHBondContact NZ-OD2 3.49Å; R229-D231 HydrophobicContact CG-CB 4.25Å; R229-D231 PolarHBondContact O-N 2.99Å; D231-H242 WeakPolarHBondContact O-CB 3.49Å; D231-Y280 PolarHBondContact O-OH 2.85Å |
| 232 | Y | 95.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 28% | 0.275 | 21% | 0.206 | S | C | . | . | trans | -67.4 | 135.6 | 178.8 | -82.3 | -64.1 | 0 | 0 | 0 | 110.9 | V240 R241 H242 L261 G278 | Y232-V240 HydrophobicContact CD1-CG1 3.81Å; Y232-V240 HydrophobicContact CG-CG1 4.01Å; Y232-R241 WeakPolarHBondContact CA-O 3.46Å; Y232-H242 HydrophobicContact CD1-CB 4.34Å; Y232-H242 AromaticContact CD1-CD2 3.76Å; Y232-H242 AromaticContact CE1-CD2 3.45Å; Y232-H242 VanDerWaalsContact CE1-CD2 3.45Å; Y232-H242 WeakPolarHBondContact CE1-CD2 3.36Å; Y232-H242 AromaticContact CE2-CD2 3.88Å; Y232-H242 AromaticContact CZ-CD2 3.52Å; Y232-L261 HydrophobicContact CD1-CB 3.94Å; Y232-L261 HydrophobicContact CD2-CD2 4.47Å; Y232-L261 HydrophobicContact CE1-CB 3.55Å; Y232-L261 HydrophobicContact CE2-CB 4.46Å; Y232-L261 HydrophobicContact CE2-CD1 4.4Å; Y232-G278 WeakPolarHBondContact O-CA 3.27Å; Y232-G278 PolarHBondContact O-N 3.01Å | ||
| 233 | G | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V240 R241 G278 | G233-V240 WeakPolarHBondContact O-CA 3.4Å; G233-R241 PolarHBondContact N-O 3.36Å; G233-R241 PolarHBondContact O-N 2.82Å; G233-G278 CarbonylContact C-O 3.55Å; G233-G278 VanDerWaalsContact CA-C 3.45Å; G233-G278 VanDerWaalsContact CA-O 3.23Å; G233-G278 WeakPolarHBondContact CA-O 3.45Å |
| 234 | W | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 149.3 | 174.7 | -67.6 | 108.2 | 0 | 0 | 0 | 112.2 | L197 F199 A202 L213 G238 V240 P271 E272 M275 F277 G278 Y280 | L197-W234 PolarHBondContact O-NE1 3.09Å; F199-W234 HydrophobicContact CB-CD2 3.93Å; F199-W234 HydrophobicContact CB-CE3 4.08Å; F199-W234 HydrophobicContact CB-CH2 4.2Å; F199-W234 HydrophobicContact CB-CZ2 4.03Å; F199-W234 HydrophobicContact CB-CZ3 4.21Å; F199-W234 HydrophobicContact CD2-CB 4.28Å; F199-W234 AromaticContact CD2-CD2 3.89Å; F199-W234 HydrophobicContact CD2-CD2 3.89Å; F199-W234 AromaticContact CD2-CE3 3.62Å; F199-W234 HydrophobicContact CD2-CE3 3.62Å; F199-W234 HydrophobicContact CD2-CG 4.21Å; F199-W234 HydrophobicContact CD2-CZ3 4.23Å; F199-W234 HydrophobicContact CG-CD2 4.42Å; F199-W234 HydrophobicContact CG-CE3 4.27Å; A202-W234 HydrophobicContact CB-CB 4.09Å; A202-W234 HydrophobicContact CB-CG 4.14Å; L213-W234 HydrophobicContact CD2-CB 4.16Å; W234-G238 WeakPolarHBondContact CZ3-O 3.18Å; W234-V240 HydrophobicContact CD2-CG2 3.68Å; W234-V240 HydrophobicContact CE3-CG2 3.31Å; W234-V240 HydrophobicContact CG-CG2 4.47Å; W234-V240 HydrophobicContact CH2-CG2 3.85Å; W234-V240 HydrophobicContact CZ2-CG2 4.18Å; W234-V240 HydrophobicContact CZ3-CG2 3.4Å; W234-V240 VanDerWaalsContact CZ3-CG2 3.4Å; W234-P271 HydrophobicContact CH2-CB 4.23Å; W234-E272 WeakPolarHBondContact CH2-O 3.47Å; W234-M275 WeakPolarHBondContact CZ2-O 3.32Å; W234-F277 AromaticContact CE2-CD2 3.8Å; W234-F277 HydrophobicContact CH2-CD2 4.43Å; W234-F277 AromaticContact CZ2-CD2 3.75Å; W234-F277 HydrophobicContact CZ2-CD2 3.75Å; W234-F277 HydrophobicContact CZ2-CE2 4.21Å; W234-F277 AromaticContact NE1-CD2 3.94Å; W234-G278 VanDerWaalsContact CD1-O 3.28Å; W234-G278 PolarHBondContact N-O 2.97Å; W234-Y280 PolarHBondContact O-N 3.08Å |
| 235 | L | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -128.1 | 164.6 | 171.4 | -65.1 | 176.3 | 0 | 0 | 0 | 110.1 | F199 A214 T216 L219 D237 G238 S239 R241 Y280 | F199-L235 WeakPolarHBondContact CE2-O 3.39Å; A214-L235 HydrophobicContact CB-CD2 3.95Å; A214-L235 CarbonylContact O-C 3.57Å; A214-L235 WeakPolarHBondContact O-CA 3.34Å; A214-L235 WeakPolarHBondContact O-CB 3.05Å; A214-L235 VanDerWaalsContact O-CD2 3.25Å; A214-L235 WeakPolarHBondContact O-CD2 3.11Å; T216-L235 WeakPolarHBondContact OG1-CD1 3.39Å; L219-L235 HydrophobicContact CB-CD1 4.33Å; L219-L235 HydrophobicContact CB-CD2 4.13Å; L219-L235 HydrophobicContact CD2-CD1 3.84Å; L219-L235 HydrophobicContact CD2-CD2 4.13Å; L219-L235 HydrophobicContact CD2-CG 4.45Å; L235-D237 WeakPolarHBondContact CB-OD1 3.41Å; L235-D237 PolarHBondContact O-N 3.45Å; L235-D237 VanDerWaalsContact O-N 3.16Å; L235-G238 PolarHBondContact O-N 3.02Å; L235-S239 PolarHBondContact N-O 3.07Å; L235-R241 HydrophobicContact CD1-CB 3.93Å; L235-R241 HydrophobicContact CD1-CG 3.65Å; L235-Y280 HydrophobicContact CD2-CG 4.47Å | ||
| 236 | S | 96.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.2 | -173.6 | 62.5 | 0 | 0 | 0 | 0 | 115.1 | A214 S215 G238 | A214-S236 PolarHBondContact O-N 3.02Å; S215-S236 WeakPolarHBondContact CA-OG 3.39Å; S236-G238 PolarHBondContact O-N 2.93Å |
| 237 | D | 94.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 19% | 0.193 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 4.4 | 175.1 | 65.7 | -6.2 | 0 | 0 | 0 | 113.6 | I111 T216 L235 S239 R241 | I111-D237 HydrophobicContact CG2-CB 4.14Å; T216-D237 WeakPolarHBondContact CB-OD2 3.17Å; T216-D237 PolarHBondContact OG1-OD2 2.99Å; L235-D237 WeakPolarHBondContact CB-OD1 3.41Å; L235-D237 PolarHBondContact O-N 3.45Å; L235-D237 VanDerWaalsContact O-N 3.16Å; D237-S239 PolarHBondContact O-N 3.29Å; D237-S239 WeakPolarHBondContact OD1-CA 3.5Å; D237-S239 WeakPolarHBondContact OD1-CB 3.32Å; D237-S239 PolarHBondContact OD1-N 3.29Å; D237-S239 PolarHBondContact OD1-OG 3.23Å; D237-S239 PolarHBondContact OD2-OG 3.15Å; D237-S239 VanDerWaalsContact OD2-OG 3.11Å; D237-R241 IonicContact OD2-CZ 3.46Å; D237-R241 IonicContact OD2-NH2 2.77Å; D237-R241 PolarHBondContact OD2-NH2 3.36Å |
| 238 | G | 93.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 22% | 0.216 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 70.8 | 9.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | W234 L235 S236 F270 | W234-G238 WeakPolarHBondContact CZ3-O 3.18Å; L235-G238 PolarHBondContact O-N 3.02Å; S236-G238 PolarHBondContact O-N 2.93Å; G238-F270 WeakPolarHBondContact O-CB 3.49Å |
| 239 | S | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -82.5 | 159.4 | 170.1 | 76.1 | 0 | 0 | 0 | 0 | 111.1 | L235 D237 R241 | L235-S239 PolarHBondContact N-O 3.07Å; D237-S239 PolarHBondContact O-N 3.29Å; D237-S239 WeakPolarHBondContact OD1-CA 3.5Å; D237-S239 WeakPolarHBondContact OD1-CB 3.32Å; D237-S239 PolarHBondContact OD1-N 3.29Å; D237-S239 PolarHBondContact OD1-OG 3.23Å; D237-S239 PolarHBondContact OD2-OG 3.15Å; D237-S239 VanDerWaalsContact OD2-OG 3.11Å; S239-R241 PolarHBondContact OG-NE 3.42Å; S239-R241 PolarHBondContact OG-NH2 3.41Å | ||
| 240 | V | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.9 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | Y232 G233 W234 L261 P271 F277 | Y232-V240 HydrophobicContact CD1-CG1 3.81Å; Y232-V240 HydrophobicContact CG-CG1 4.01Å; G233-V240 WeakPolarHBondContact O-CA 3.4Å; W234-V240 HydrophobicContact CD2-CG2 3.68Å; W234-V240 HydrophobicContact CE3-CG2 3.31Å; W234-V240 HydrophobicContact CG-CG2 4.47Å; W234-V240 HydrophobicContact CH2-CG2 3.85Å; W234-V240 HydrophobicContact CZ2-CG2 4.18Å; W234-V240 HydrophobicContact CZ3-CG2 3.4Å; W234-V240 VanDerWaalsContact CZ3-CG2 3.4Å; V240-L261 HydrophobicContact CB-CB 4.23Å; V240-L261 HydrophobicContact CG1-CB 4.16Å; V240-L261 HydrophobicContact CG1-CD2 4.19Å; V240-L261 PolarHBondContact O-N 2.93Å; V240-P271 HydrophobicContact CB-CG 3.95Å; V240-P271 HydrophobicContact CG2-CB 4.2Å; V240-P271 HydrophobicContact CG2-CG 3.8Å; V240-F277 HydrophobicContact CB-CD2 4.44Å; V240-F277 HydrophobicContact CG1-CB 4.21Å; V240-F277 HydrophobicContact CG1-CD1 3.84Å; V240-F277 HydrophobicContact CG1-CD2 3.92Å; V240-F277 HydrophobicContact CG1-CE1 4.17Å; V240-F277 HydrophobicContact CG1-CE2 4.24Å; V240-F277 HydrophobicContact CG1-CG 3.71Å; V240-F277 HydrophobicContact CG1-CZ 4.37Å; V240-F277 HydrophobicContact CG2-CD2 3.67Å; V240-F277 HydrophobicContact CG2-CE2 3.96Å; V240-F277 HydrophobicContact CG2-CG 4.25Å |
| 241 | R | 96.4 | Very high | 90 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 164.8 | -173.3 | -50.6 | -166.2 | -163.3 | -135.4 | 2.3 | 113.1 | T216 L219 Y232 G233 L235 D237 S239 V258 R259 T260 Y280 | T216-R241 VanDerWaalsContact CG2-CZ 3.41Å; T216-R241 PolarHBondContact OG1-NE 2.03Å; T216-R241 PolarHBondContact OG1-NH2 2.98Å; L219-R241 HydrophobicContact CD2-CB 3.76Å; Y232-R241 WeakPolarHBondContact CA-O 3.46Å; G233-R241 PolarHBondContact N-O 3.36Å; G233-R241 PolarHBondContact O-N 2.82Å; L235-R241 HydrophobicContact CD1-CB 3.93Å; L235-R241 HydrophobicContact CD1-CG 3.65Å; D237-R241 IonicContact OD2-CZ 3.46Å; D237-R241 IonicContact OD2-NH2 2.77Å; D237-R241 PolarHBondContact OD2-NH2 3.36Å; S239-R241 PolarHBondContact OG-NE 3.42Å; S239-R241 PolarHBondContact OG-NH2 3.41Å; R241-V258 HydrophobicContact CB-CG1 3.86Å; R241-V258 HydrophobicContact CG-CG1 4.41Å; R241-R259 CarbonylContact C-O 3.58Å; R241-R259 WeakPolarHBondContact CA-O 3.32Å; R241-R259 WeakPolarHBondContact CB-O 3.38Å; R241-T260 WeakPolarHBondContact CD-OG1 3.43Å; R241-T260 HydrophobicContact CG-CG2 4.23Å; R241-T260 PolarHBondContact NH1-OG1 3.46Å; R241-Y280 VanDerWaalsContact O-CE2 3.29Å; R241-Y280 WeakPolarHBondContact O-CE2 3.28Å |
| 242 | H | 94.8 | Very high | 88.6 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144.2 | 165.4 | 77.9 | 82 | 0 | 0 | 0 | 111.5 | D231 Y232 V244 V258 R259 | D231-H242 WeakPolarHBondContact O-CB 3.49Å; Y232-H242 HydrophobicContact CD1-CB 4.34Å; Y232-H242 AromaticContact CD1-CD2 3.76Å; Y232-H242 AromaticContact CE1-CD2 3.45Å; Y232-H242 VanDerWaalsContact CE1-CD2 3.45Å; Y232-H242 WeakPolarHBondContact CE1-CD2 3.36Å; Y232-H242 AromaticContact CE2-CD2 3.88Å; Y232-H242 AromaticContact CZ-CD2 3.52Å; H242-V244 WeakPolarHBondContact CE1-CG2 3.36Å; H242-V244 WeakPolarHBondContact ND1-CG2 3.46Å; H242-V258 WeakPolarHBondContact O-CA 3.3Å; H242-R259 PolarHBondContact N-O 2.04Å; H242-R259 PolarHBondContact O-N 3.22Å |
| 243 | P | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138 | 178.8 | 36.8 | -33.2 | 0 | 0 | 0 | 112.2 | L219 W223 L227 R229 V258 Y280 | L219-P243 HydrophobicContact CD1-CG 4.18Å; W223-P243 HydrophobicContact CB-CB 3.87Å; W223-P243 HydrophobicContact CG-CB 4.13Å; L227-P243 HydrophobicContact CD2-CG 4.33Å; L227-P243 HydrophobicContact CG-CG 4.07Å; L227-P243 VanDerWaalsContact O-CB 3.3Å; L227-P243 WeakPolarHBondContact O-CB 3.01Å; L227-P243 WeakPolarHBondContact O-CG 3.49Å; R229-P243 CarbonylContact C-O 3.46Å; R229-P243 HydrophobicContact CB-CG 4.41Å; R229-P243 PolarHBondContact N-O 3.41Å; P243-V258 HydrophobicContact CB-CG2 4.31Å; P243-Y280 VanDerWaalsContact CD-OH 3.23Å; P243-Y280 WeakPolarHBondContact CD-OH 3.47Å; P243-Y280 HydrophobicContact CG-CE1 4.31Å |
| 244 | V | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 104.6 | 178.1 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | W223 D228 H242 H246 M256 G257 R259 | W223-V244 VanDerWaalsContact NE1-C 3.3Å; W223-V244 PolarHBondContact NE1-O 2.94Å; D228-V244 WeakPolarHBondContact OD1-CA 3.48Å; H242-V244 WeakPolarHBondContact CE1-CG2 3.36Å; H242-V244 WeakPolarHBondContact ND1-CG2 3.46Å; V244-H246 WeakPolarHBondContact CG1-O 3.49Å; V244-M256 WeakPolarHBondContact O-CA 3.45Å; V244-G257 WeakPolarHBondContact CB-O 3.29Å; V244-G257 PolarHBondContact N-O 3.03Å; V244-G257 PolarHBondContact O-N 3.31Å; V244-R259 HydrophobicContact CG2-CG 4.39Å |
| 245 | V | 86.3 | Confident | 85.4 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -87.8 | -47.9 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | D228 M256 | D228-V245 HydrophobicContact CB-CB 3.76Å; D228-V245 HydrophobicContact CB-CG2 3.72Å; D228-V245 PolarHBondContact OD1-N 2.97Å; V245-M256 WeakPolarHBondContact O-CE 3.5Å; V245-M256 WeakPolarHBondContact O-CG 3.39Å |
| 246 | H | 81 | Confident | 84.8 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -94.6 | 117 | 175.6 | -56.4 | 92.1 | 0 | 0 | 0 | 109.9 | D228 V244 R248 | D228-H246 IonicContact OD2-CE1 3.83Å; D228-H246 IonicContact OD2-CG 2.73Å; D228-H246 PolarHBondContact OD2-N 2.86Å; D228-H246 IonicContact OD2-ND1 3.99Å; D228-H246 PolarHBondContact OD2-ND1 2.71Å; V244-H246 WeakPolarHBondContact CG1-O 3.49Å; H246-R248 VanDerWaalsContact O-CZ 3.25Å; H246-R248 PolarHBondContact O-N 3Å; H246-R248 PolarHBondContact O-NE 3.05Å; H246-R248 PolarHBondContact O-NH2 2.99Å |
| 247 | P | 79 | Confident | 84.5 | Confident | 72 Ų | 72 | 47 Ų | 47 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | trans | -66.6 | 124.3 | -178.2 | 25 | -30.2 | 0 | 0 | 0 | 110.5 | G254 M256 | P247-G254 VanDerWaalsContact CB-O 3.24Å; P247-G254 WeakPolarHBondContact CB-O 3.42Å; P247-M256 HydrophobicContact CB-CG 4.07Å; P247-M256 HydrophobicContact CG-CG 3.99Å; P247-M256 HydrophobicContact CG-SD 4.45Å | ||
| 248 | R | 81.8 | Confident | 84.4 | Confident | 82 Ų | 82 | 46 Ų | 46 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -131.9 | 138.1 | 179 | -62 | 163.8 | -71.8 | -107 | -7.5 | 108.7 | D228 H246 C251 G254 | D228-R248 IonicContact OD1-CZ 3.66Å; D228-R248 IonicContact OD1-NH1 2.64Å; D228-R248 IonicContact OD1-NH2 2.75Å; D228-R248 PolarHBondContact OD1-NH2 2.79Å; D228-R248 IonicContact OD2-CZ 3.12Å; D228-R248 IonicContact OD2-NH1 3.74Å; D228-R248 PolarHBondContact OD2-NH1 3.24Å; D228-R248 IonicContact OD2-NH2 2.67Å; D228-R248 PolarHBondContact OD2-NH2 2.89Å; H246-R248 VanDerWaalsContact O-CZ 3.25Å; H246-R248 PolarHBondContact O-N 3Å; H246-R248 PolarHBondContact O-NE 3.05Å; H246-R248 PolarHBondContact O-NH2 2.99Å; R248-C251 HydrophobicContact CB-CB 3.75Å; R248-C251 CarbonylContact O-C 3.42Å; R248-C251 WeakPolarHBondContact O-CA 3.46Å; R248-C251 PolarHBondContact O-N 2.97Å; R248-G254 WeakPolarHBondContact O-CA 3.35Å; R248-G254 PolarHBondContact O-N 2.66Å |
| 249 | I | 77.8 | Confident | 84.3 | Confident | 149 Ų | 149 | 48.4 Ų | 48.4 | 76% | 0.764 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -50.5 | 179.1 | -61.2 | 174.1 | 0 | 0 | 0 | 112.4 | C251 | I249-C251 PolarHBondContact O-N 3.09Å; I249-C251 VanDerWaalsContact O-N 3.08Å |
| 250 | P | 75.3 | Confident | 84.1 | Confident | 125 Ų | 125 | 49.8 Ų | 49.8 | 81% | 0.812 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 0.5 | 175.5 | 29.4 | -37.2 | 0 | 0 | 0 | 114.4 | ||
| 251 | C | 73.8 | Confident | 83.9 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -129.8 | 95.9 | -173.9 | -151.8 | 0 | 0 | 0 | 0 | 112.9 | C230 R248 I249 G253 | C230-C251 WeakPolarHBondContact CA-SG 3.35Å; C230-C251 HydrophobicContact CB-CB 4.1Å; C230-C251 WeakPolarHBondContact CB-SG 3.19Å; C230-C251 WeakPolarHBondContact SG-CA 3.44Å; C230-C251 WeakPolarHBondContact SG-CB 3.3Å; C230-C251 CovalentContact SG-SG 2.02Å; C230-C251 PolarHBondContact SG-SG 3.25Å; R248-C251 HydrophobicContact CB-CB 3.75Å; R248-C251 CarbonylContact O-C 3.42Å; R248-C251 WeakPolarHBondContact O-CA 3.46Å; R248-C251 PolarHBondContact O-N 2.97Å; I249-C251 PolarHBondContact O-N 3.09Å; I249-C251 VanDerWaalsContact O-N 3.08Å; C251-G253 PolarHBondContact O-N 3.27Å |
| 252 | G | 64.4 | Low | 83.6 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | 65.1 | 24.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G254 L255 | G252-G254 PolarHBondContact O-N 3.37Å; G252-L255 PolarHBondContact O-N 3.45Å |
| 253 | G | 75.2 | Confident | 83.2 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 62% | 0.619 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | 69.2 | 28.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C251 L255 | C251-G253 PolarHBondContact O-N 3.27Å; G253-L255 VanDerWaalsContact C-N 3.33Å |
| 254 | G | 74 | Confident | 82.8 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | 76.6 | 16 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P247 R248 G252 | P247-G254 VanDerWaalsContact CB-O 3.24Å; P247-G254 WeakPolarHBondContact CB-O 3.42Å; R248-G254 WeakPolarHBondContact O-CA 3.35Å; R248-G254 PolarHBondContact O-N 2.66Å; G252-G254 PolarHBondContact O-N 3.37Å |
| 255 | L | 74.3 | Confident | 82.3 | Confident | 113 Ų | 113 | 75.9 Ų | 75.9 | 59% | 0.592 | 39% | 0.39 | S | S | * | . | trans | -118.7 | 133.2 | -179.7 | -61.1 | 175.1 | 0 | 0 | 0 | 111.4 | G252 G253 R259 | G252-L255 PolarHBondContact O-N 3.45Å; G253-L255 VanDerWaalsContact C-N 3.33Å; L255-R259 PolarHBondContact O-NH2 2.81Å | ||
| 256 | M | 85.4 | Confident | 82.1 | Confident | 106 Ų | 106 | 79 Ų | 79 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | trans | -70.4 | 150.1 | 176 | -62.8 | 169.5 | 63.8 | 0 | 0 | 112.9 | V244 V245 P247 R259 | V244-M256 WeakPolarHBondContact O-CA 3.45Å; V245-M256 WeakPolarHBondContact O-CE 3.5Å; V245-M256 WeakPolarHBondContact O-CG 3.39Å; P247-M256 HydrophobicContact CB-CG 4.07Å; P247-M256 HydrophobicContact CG-CG 3.99Å; P247-M256 HydrophobicContact CG-SD 4.45Å; M256-R259 VanDerWaalsContact C-NH2 3.29Å; M256-R259 PolarHBondContact O-NH2 2.93Å | ||
| 257 | G | 89 | Confident | 82.2 | Confident | 7 Ų | 7 | 77 Ų | 77 | 7% | 0.072 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.8 | 172.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W223 V244 | W223-G257 VanDerWaalsContact CZ2-CA 3.46Å; V244-G257 WeakPolarHBondContact CB-O 3.29Å; V244-G257 PolarHBondContact N-O 3.03Å; V244-G257 PolarHBondContact O-N 3.31Å |
| 258 | V | 93.8 | Very high | 82.5 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 134.4 | 165.8 | -178 | 0 | 0 | 0 | 0 | 109.1 | L219 W223 R241 H242 P243 | L219-V258 HydrophobicContact CD2-CG1 3.77Å; L219-V258 HydrophobicContact CG-CG1 4.41Å; L219-V258 HydrophobicContact CG-CG2 4.47Å; W223-V258 HydrophobicContact CB-CG2 3.87Å; W223-V258 HydrophobicContact CD2-CG2 4.32Å; W223-V258 HydrophobicContact CG-CG2 4.01Å; R241-V258 HydrophobicContact CB-CG1 3.86Å; R241-V258 HydrophobicContact CG-CG1 4.41Å; H242-V258 WeakPolarHBondContact O-CA 3.3Å; P243-V258 HydrophobicContact CB-CG2 4.31Å |
| 259 | R | 90.4 | Very high | 82.6 | Confident | 71 Ų | 71 | 76.2 Ų | 76.2 | 27% | 0.268 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.4 | -179.3 | -63.3 | -67.6 | 170 | -119.3 | -7.6 | 110 | R241 H242 V244 L255 M256 | R241-R259 CarbonylContact C-O 3.58Å; R241-R259 WeakPolarHBondContact CA-O 3.32Å; R241-R259 WeakPolarHBondContact CB-O 3.38Å; H242-R259 PolarHBondContact N-O 2.04Å; H242-R259 PolarHBondContact O-N 3.22Å; V244-R259 HydrophobicContact CG2-CG 4.39Å; L255-R259 PolarHBondContact O-NH2 2.81Å; M256-R259 VanDerWaalsContact C-NH2 3.29Å; M256-R259 PolarHBondContact O-NH2 2.93Å |
| 260 | T | 92.3 | Very high | 83.3 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.3 | 175.6 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | R241 Y262 F270 | R241-T260 WeakPolarHBondContact CD-OG1 3.43Å; R241-T260 HydrophobicContact CG-CG2 4.23Å; R241-T260 PolarHBondContact NH1-OG1 3.46Å; T260-Y262 HydrophobicContact CG2-CD2 4.27Å; T260-Y262 HydrophobicContact CG2-CE1 4.26Å; T260-Y262 HydrophobicContact CG2-CE2 3.89Å; T260-F270 HydrophobicContact CG2-CD1 4.49Å; T260-F270 HydrophobicContact CG2-CE1 4.25Å |
| 261 | L | 92.1 | Very high | 84.2 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123.1 | 166.3 | -174 | 59.6 | 0 | 0 | 0 | 109 | Y232 V240 P271 F277 | Y232-L261 HydrophobicContact CD1-CB 3.94Å; Y232-L261 HydrophobicContact CD2-CD2 4.47Å; Y232-L261 HydrophobicContact CE1-CB 3.55Å; Y232-L261 HydrophobicContact CE2-CB 4.46Å; Y232-L261 HydrophobicContact CE2-CD1 4.4Å; V240-L261 HydrophobicContact CB-CB 4.23Å; V240-L261 HydrophobicContact CG1-CB 4.16Å; V240-L261 HydrophobicContact CG1-CD2 4.19Å; V240-L261 PolarHBondContact O-N 2.93Å; L261-P271 HydrophobicContact CB-CG 4.3Å; L261-P271 HydrophobicContact CD2-CG 3.9Å; L261-P271 HydrophobicContact CG-CG 3.97Å; L261-P271 WeakPolarHBondContact O-CD 3.43Å; L261-F277 HydrophobicContact CD2-CE1 3.5Å; L261-F277 HydrophobicContact CD2-CE2 4.46Å; L261-F277 HydrophobicContact CD2-CZ 3.47Å; L261-F277 VanDerWaalsContact CD2-CZ 3.47Å |
| 262 | Y | 89.7 | Confident | 85.1 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 16% | 0.161 | 33% | 0.33 | C | S | . | . | trans | -107.3 | 149.5 | 168.5 | -64.2 | -87.3 | 0 | 0 | 0 | 109.3 | T260 Y264 Q267 W269 F270 | T260-Y262 HydrophobicContact CG2-CD2 4.27Å; T260-Y262 HydrophobicContact CG2-CE1 4.26Å; T260-Y262 HydrophobicContact CG2-CE2 3.89Å; Y262-Y264 VanDerWaalsContact C-N 3.3Å; Y262-Y264 PolarHBondContact O-N 3.44Å; Y262-Q267 HydrophobicContact CD1-CB 4.34Å; Y262-Q267 HydrophobicContact CD2-CB 3.82Å; Y262-Q267 HydrophobicContact CD2-CG 3.94Å; Y262-Q267 HydrophobicContact CE1-CB 4.41Å; Y262-Q267 HydrophobicContact CE2-CB 3.9Å; Y262-Q267 HydrophobicContact CE2-CG 4.08Å; Y262-Q267 HydrophobicContact CG-CB 4.05Å; Y262-W269 CarbonylContact C-O 3.47Å; Y262-W269 WeakPolarHBondContact CA-O 3.18Å; Y262-F270 HydrophobicContact CD1-CD1 4.17Å; Y262-F270 HydrophobicContact CD1-CE1 4.31Å; Y262-F270 HydrophobicContact CE1-CD1 4.18Å; Y262-F270 AromaticContact CE1-CE1 3.85Å; Y262-F270 HydrophobicContact CE1-CE1 3.85Å | ||
| 263 | R | 87.8 | Confident | 86.4 | Confident | 106 Ų | 106 | 69.8 Ų | 69.8 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -63.6 | -36.7 | 175.9 | -175.8 | 179.8 | -174.8 | 159.5 | 14.2 | 111.7 | W269 E272 | R263-W269 HydrophobicContact CB-CB 3.93Å; R263-W269 PolarHBondContact N-O 2.92Å; R263-E272 IonicContact CZ-OE1 3.11Å; R263-E272 IonicContact CZ-OE2 3.24Å; R263-E272 IonicContact NH1-OE1 2.71Å; R263-E272 PolarHBondContact NH1-OE1 3.38Å; R263-E272 IonicContact NH1-OE2 2.69Å; R263-E272 IonicContact NH2-OE1 2.79Å; R263-E272 PolarHBondContact NH2-OE1 3.26Å; R263-E272 IonicContact NH2-OE2 3.67Å; R263-E272 PolarHBondContact NH2-OE2 2.79Å |
| 264 | Y | 85.9 | Confident | 87.3 | Confident | 108 Ų | 108 | 73.7 Ų | 73.7 | 42% | 0.424 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -118.8 | 147.1 | -176.1 | -56.6 | -65.2 | 0 | 0 | 0 | 112.6 | Y262 N266 Q267 T268 W269 | Y262-Y264 VanDerWaalsContact C-N 3.3Å; Y262-Y264 PolarHBondContact O-N 3.44Å; Y264-N266 WeakPolarHBondContact CB-OD1 3.33Å; Y264-N266 PolarHBondContact O-N 3.09Å; Y264-N266 VanDerWaalsContact O-N 3.16Å; Y264-Q267 PolarHBondContact O-N 3.16Å; Y264-T268 WeakPolarHBondContact CD2-O 3.38Å; Y264-T268 PolarHBondContact N-O 3.43Å; Y264-W269 HydrophobicContact CD2-CB 3.97Å; Y264-W269 AromaticContact CD2-CD1 3.73Å; Y264-W269 HydrophobicContact CD2-CG 4.17Å; Y264-W269 HydrophobicContact CE2-CB 3.95Å; Y264-W269 AromaticContact CE2-CD1 3.57Å; Y264-W269 AromaticContact CE2-CG 3.9Å; Y264-W269 HydrophobicContact CE2-CG 3.9Å |
| 265 | R | 79.8 | Confident | 88.2 | Confident | 258 Ų | 258 | 76.2 Ų | 76.2 | 97% | 0.974 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.3 | -175.9 | -69.9 | -175.5 | 177.9 | 179.6 | -0.4 | 114.4 | Q267 | R265-Q267 PolarHBondContact O-N 3.13Š|
| 266 | N | 80.9 | Confident | 89.3 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 8.5 | 172.7 | 64.1 | -21.6 | 0 | 0 | 0 | 113.4 | Y264 T268 | Y264-N266 WeakPolarHBondContact CB-OD1 3.33Å; Y264-N266 PolarHBondContact O-N 3.09Å; Y264-N266 VanDerWaalsContact O-N 3.16Å; N266-T268 PolarHBondContact OD1-OG1 3.47Å |
| 267 | Q | 83.8 | Confident | 89.8 | Confident | 78 Ų | 78 | 72.2 Ų | 72.2 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 60.5 | 46.8 | 180 | -57.2 | 172.9 | 3.3 | 0 | 0 | 113 | R91 Y262 Y264 R265 | R91-Q267 WeakPolarHBondContact CD-O 3.43Å; R91-Q267 PolarHBondContact NH1-O 3.07Å; Y262-Q267 HydrophobicContact CD1-CB 4.34Å; Y262-Q267 HydrophobicContact CD2-CB 3.82Å; Y262-Q267 HydrophobicContact CD2-CG 3.94Å; Y262-Q267 HydrophobicContact CE1-CB 4.41Å; Y262-Q267 HydrophobicContact CE2-CB 3.9Å; Y262-Q267 HydrophobicContact CE2-CG 4.08Å; Y262-Q267 HydrophobicContact CG-CB 4.05Å; Y264-Q267 PolarHBondContact O-N 3.16Å; R265-Q267 PolarHBondContact O-N 3.13Å |
| 268 | T | 85.4 | Confident | 90.3 | Very high | 12 Ų | 12 | 72.1 Ų | 72.1 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | trans | -123.5 | 155.2 | 167.4 | 73 | 0 | 0 | 0 | 0 | 110.7 | Y264 N266 | Y264-T268 WeakPolarHBondContact CD2-O 3.38Å; Y264-T268 PolarHBondContact N-O 3.43Å; N266-T268 PolarHBondContact OD1-OG1 3.47Å | ||
| 269 | W | 84.6 | Confident | 90.4 | Very high | 124 Ų | 124 | 71.4 Ų | 71.4 | 47% | 0.47 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 60.5 | 131 | -171.8 | -61.9 | 86.4 | 0 | 0 | 0 | 114.3 | S93 T94 Y262 R263 Y264 | S93-W269 WeakPolarHBondContact O-CA 3.33Å; S93-W269 PolarHBondContact O-N 3.36Å; T94-W269 HydrophobicContact CG2-CH2 4.16Å; T94-W269 HydrophobicContact CG2-CZ2 4.44Å; T94-W269 PolarHBondContact O-NE1 2.9Å; Y262-W269 CarbonylContact C-O 3.47Å; Y262-W269 WeakPolarHBondContact CA-O 3.18Å; R263-W269 HydrophobicContact CB-CB 3.93Å; R263-W269 PolarHBondContact N-O 2.92Å; Y264-W269 HydrophobicContact CD2-CB 3.97Å; Y264-W269 AromaticContact CD2-CD1 3.73Å; Y264-W269 HydrophobicContact CD2-CG 4.17Å; Y264-W269 HydrophobicContact CE2-CB 3.95Å; Y264-W269 AromaticContact CE2-CD1 3.57Å; Y264-W269 AromaticContact CE2-CG 3.9Å; Y264-W269 HydrophobicContact CE2-CG 3.9Å |
| 270 | F | 92.5 | Very high | 90.8 | Very high | 17 Ų | 17 | 68 Ų | 68 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 164.3 | 164.7 | -61.3 | -23.5 | 0 | 0 | 0 | 109.5 | G238 T260 Y262 | G238-F270 WeakPolarHBondContact O-CB 3.49Å; T260-F270 HydrophobicContact CG2-CD1 4.49Å; T260-F270 HydrophobicContact CG2-CE1 4.25Å; Y262-F270 HydrophobicContact CD1-CD1 4.17Å; Y262-F270 HydrophobicContact CD1-CE1 4.31Å; Y262-F270 HydrophobicContact CE1-CD1 4.18Å; Y262-F270 AromaticContact CE1-CE1 3.85Å; Y262-F270 HydrophobicContact CE1-CE1 3.85Å |
| 271 | P | 92.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 152.4 | 175.3 | -25.6 | 37.9 | 0 | 0 | 0 | 112.1 | W234 V240 L261 M275 F277 | W234-P271 HydrophobicContact CH2-CB 4.23Å; V240-P271 HydrophobicContact CB-CG 3.95Å; V240-P271 HydrophobicContact CG2-CB 4.2Å; V240-P271 HydrophobicContact CG2-CG 3.8Å; L261-P271 HydrophobicContact CB-CG 4.3Å; L261-P271 HydrophobicContact CD2-CG 3.9Å; L261-P271 HydrophobicContact CG-CG 3.97Å; L261-P271 WeakPolarHBondContact O-CD 3.43Å; P271-M275 HydrophobicContact CB-SD 3.9Å; P271-F277 HydrophobicContact CB-CE2 3.63Å; P271-F277 HydrophobicContact CB-CZ 4.11Å; P271-F277 HydrophobicContact CG-CE2 4.04Å; P271-F277 HydrophobicContact CG-CZ 4.22Å |
| 272 | E | 92.3 | Very high | 91.4 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 142.2 | -178.4 | -69.8 | 168.5 | 132.9 | 0 | 0 | 110.9 | W234 R263 F274 M275 | W234-E272 WeakPolarHBondContact CH2-O 3.47Å; R263-E272 IonicContact CZ-OE1 3.11Å; R263-E272 IonicContact CZ-OE2 3.24Å; R263-E272 IonicContact NH1-OE1 2.71Å; R263-E272 PolarHBondContact NH1-OE1 3.38Å; R263-E272 IonicContact NH1-OE2 2.69Å; R263-E272 IonicContact NH2-OE1 2.79Å; R263-E272 PolarHBondContact NH2-OE1 3.26Å; R263-E272 IonicContact NH2-OE2 3.67Å; R263-E272 PolarHBondContact NH2-OE2 2.79Å; E272-F274 HydrophobicContact CB-CD1 3.97Å; E272-F274 HydrophobicContact CB-CE1 3.52Å; E272-F274 HydrophobicContact CB-CE2 4.23Å; E272-F274 HydrophobicContact CB-CZ 3.66Å; E272-F274 HydrophobicContact CG-CE1 4.13Å; E272-F274 HydrophobicContact CG-CZ 4.16Å; E272-F274 PolarHBondContact O-N 3.46Å; E272-F274 VanDerWaalsContact OE2-CZ 3.32Å; E272-F274 WeakPolarHBondContact OE2-CZ 3.28Å; E272-M275 HydrophobicContact CB-CG 4.26Å; E272-M275 WeakPolarHBondContact O-CB 3.33Å; E272-M275 WeakPolarHBondContact O-CG 3.43Å; E272-M275 PolarHBondContact O-N 2.93Å |
| 273 | P | 93.4 | Very high | 91.6 | Very high | 81 Ų | 81 | 68.5 Ų | 68.5 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.9 | -172.3 | -30.1 | 36.9 | 0 | 0 | 0 | 115.9 | T198 F199 | T198-P273 WeakPolarHBondContact CB-O 3.26Å; F199-P273 HydrophobicContact CB-CB 3.99Å; F199-P273 PolarHBondContact N-O 3.27Å |
| 274 | F | 92.2 | Very high | 91.8 | Very high | 142 Ų | 142 | 68.2 Ų | 68.2 | 62% | 0.623 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -4.9 | 176.7 | 62.1 | -103.1 | 0 | 0 | 0 | 114.4 | T198 E272 | T198-F274 WeakPolarHBondContact CG2-O 3.45Å; E272-F274 HydrophobicContact CB-CD1 3.97Å; E272-F274 HydrophobicContact CB-CE1 3.52Å; E272-F274 HydrophobicContact CB-CE2 4.23Å; E272-F274 HydrophobicContact CB-CZ 3.66Å; E272-F274 HydrophobicContact CG-CE1 4.13Å; E272-F274 HydrophobicContact CG-CZ 4.16Å; E272-F274 PolarHBondContact O-N 3.46Å; E272-F274 VanDerWaalsContact OE2-CZ 3.32Å; E272-F274 WeakPolarHBondContact OE2-CZ 3.28Å |
| 275 | M | 94.8 | Very high | 91.5 | Very high | 81 Ų | 81 | 67.2 Ų | 67.2 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -72 | 148 | 170.7 | -62.1 | -166.3 | 78.9 | 0 | 0 | 110.4 | T198 W234 P271 E272 F277 | T198-M275 WeakPolarHBondContact CA-O 3.42Å; W234-M275 WeakPolarHBondContact CZ2-O 3.32Å; P271-M275 HydrophobicContact CB-SD 3.9Å; E272-M275 HydrophobicContact CB-CG 4.26Å; E272-M275 WeakPolarHBondContact O-CB 3.33Å; E272-M275 WeakPolarHBondContact O-CG 3.43Å; E272-M275 PolarHBondContact O-N 2.93Å; M275-F277 HydrophobicContact CB-CD2 4.29Å; M275-F277 HydrophobicContact CB-CE2 3.57Å; M275-F277 HydrophobicContact CB-CZ 4.24Å; M275-F277 HydrophobicContact CE-CZ 4.46Å |
| 276 | K | 96.1 | Very high | 90.6 | Very high | 107 Ų | 107 | 63 Ų | 63 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | trans | -104.3 | 118.9 | -173.3 | -76.9 | 178 | 169.7 | -75.1 | 0 | 112.4 | K196 L197 T198 E201 | K196-K276 HydrophobicContact CB-CB 3.74Å; K196-K276 WeakPolarHBondContact O-CD 3.27Å; K196-K276 PolarHBondContact O-NZ 3.41Å; L197-K276 CarbonylContact O-C 3.52Å; L197-K276 WeakPolarHBondContact O-CA 3.46Å; T198-K276 HydrophobicContact CG2-CG 3.93Å; E201-K276 IonicContact OE1-NZ 3.54Å; E201-K276 PolarHBondContact OE1-NZ 2.53Å; E201-K276 IonicContact OE2-NZ 3.29Å; E201-K276 PolarHBondContact OE2-NZ 3.11Å | ||
| 277 | F | 97.4 | Very high | 88.9 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -133 | -172.5 | 178.4 | -62.2 | -73.4 | 0 | 0 | 0 | 111.2 | K196 L197 W234 V240 L261 P271 M275 | K196-F277 CarbonylContact C-O 3.59Å; K196-F277 WeakPolarHBondContact CA-O 3.43Å; L197-F277 PolarHBondContact N-O 3.13Å; L197-F277 PolarHBondContact O-N 3.24Å; W234-F277 AromaticContact CE2-CD2 3.8Å; W234-F277 HydrophobicContact CH2-CD2 4.43Å; W234-F277 AromaticContact CZ2-CD2 3.75Å; W234-F277 HydrophobicContact CZ2-CD2 3.75Å; W234-F277 HydrophobicContact CZ2-CE2 4.21Å; W234-F277 AromaticContact NE1-CD2 3.94Å; V240-F277 HydrophobicContact CB-CD2 4.44Å; V240-F277 HydrophobicContact CG1-CB 4.21Å; V240-F277 HydrophobicContact CG1-CD1 3.84Å; V240-F277 HydrophobicContact CG1-CD2 3.92Å; V240-F277 HydrophobicContact CG1-CE1 4.17Å; V240-F277 HydrophobicContact CG1-CE2 4.24Å; V240-F277 HydrophobicContact CG1-CG 3.71Å; V240-F277 HydrophobicContact CG1-CZ 4.37Å; V240-F277 HydrophobicContact CG2-CD2 3.67Å; V240-F277 HydrophobicContact CG2-CE2 3.96Å; V240-F277 HydrophobicContact CG2-CG 4.25Å; L261-F277 HydrophobicContact CD2-CE1 3.5Å; L261-F277 HydrophobicContact CD2-CE2 4.46Å; L261-F277 HydrophobicContact CD2-CZ 3.47Å; L261-F277 VanDerWaalsContact CD2-CZ 3.47Å; P271-F277 HydrophobicContact CB-CE2 3.63Å; P271-F277 HydrophobicContact CB-CZ 4.11Å; P271-F277 HydrophobicContact CG-CE2 4.04Å; P271-F277 HydrophobicContact CG-CZ 4.22Å; M275-F277 HydrophobicContact CB-CD2 4.29Å; M275-F277 HydrophobicContact CB-CE2 3.57Å; M275-F277 HydrophobicContact CB-CZ 4.24Å; M275-F277 HydrophobicContact CE-CZ 4.46Å |
| 278 | G | 97.4 | Very high | 86.6 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -170.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y190 Y232 G233 W234 | Y190-G278 VanDerWaalsContact OH-CA 3.24Å; Y190-G278 WeakPolarHBondContact OH-CA 3.42Å; Y232-G278 WeakPolarHBondContact O-CA 3.27Å; Y232-G278 PolarHBondContact O-N 3.01Å; G233-G278 CarbonylContact C-O 3.55Å; G233-G278 VanDerWaalsContact CA-C 3.45Å; G233-G278 VanDerWaalsContact CA-O 3.23Å; G233-G278 WeakPolarHBondContact CA-O 3.45Å; W234-G278 VanDerWaalsContact CD1-O 3.28Å; W234-G278 PolarHBondContact N-O 2.97Å |
| 279 | A | 97.9 | Very high | 84.5 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y190 A191 L197 A202 L213 | Y190-A279 WeakPolarHBondContact CA-O 3.03Å; A191-A279 HydrophobicContact CB-CB 3.94Å; A191-A279 PolarHBondContact N-O 3.04Å; L197-A279 HydrophobicContact CD1-CB 4.46Å; A202-A279 HydrophobicContact CB-CB 3.73Å; L213-A279 HydrophobicContact CD2-CB 4.06Å |
| 280 | Y | 98.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.9 | 162.3 | -72 | -87.4 | 0 | 0 | 0 | 107.5 | V188 F189 Y190 A214 L219 L227 D231 W234 L235 R241 P243 | V188-Y280 HydrophobicContact CG1-CD1 4.23Å; F189-Y280 CarbonylContact O-C 3.53Å; F189-Y280 WeakPolarHBondContact O-CA 3.01Å; Y190-Y280 HydrophobicContact CD2-CD1 4.11Å; Y190-Y280 HydrophobicContact CD2-CD2 4.22Å; Y190-Y280 AromaticContact CD2-CE1 3.71Å; Y190-Y280 HydrophobicContact CD2-CE1 3.71Å; Y190-Y280 AromaticContact CD2-CE2 3.8Å; Y190-Y280 HydrophobicContact CD2-CE2 3.8Å; Y190-Y280 HydrophobicContact CD2-CG 4.34Å; Y190-Y280 AromaticContact CD2-CZ 3.51Å; Y190-Y280 AromaticContact CE2-CE2 3.96Å; Y190-Y280 HydrophobicContact CE2-CE2 3.96Å; Y190-Y280 AromaticContact CE2-CZ 3.95Å; A214-Y280 PolarHBondContact N-O 3.24Å; L219-Y280 HydrophobicContact CD1-CD1 3.65Å; L219-Y280 HydrophobicContact CD1-CD2 4.46Å; L219-Y280 HydrophobicContact CD1-CE1 3.97Å; L219-Y280 HydrophobicContact CD1-CG 3.93Å; L227-Y280 HydrophobicContact CD2-CD1 4.38Å; L227-Y280 HydrophobicContact CD2-CE1 4.35Å; D231-Y280 PolarHBondContact O-OH 2.85Å; W234-Y280 PolarHBondContact O-N 3.08Å; L235-Y280 HydrophobicContact CD2-CG 4.47Å; R241-Y280 VanDerWaalsContact O-CE2 3.29Å; R241-Y280 WeakPolarHBondContact O-CE2 3.28Å; P243-Y280 VanDerWaalsContact CD-OH 3.23Å; P243-Y280 WeakPolarHBondContact CD-OH 3.47Å; P243-Y280 HydrophobicContact CG-CE1 4.31Å |
| 281 | C | 98.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 141.6 | -177.2 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | V188 F189 C206 A211 V212 | V188-C281 VanDerWaalsContact CA-O 3.31Å; V188-C281 WeakPolarHBondContact CA-O 3.39Å; F189-C281 HydrophobicContact CD1-CB 4.3Å; F189-C281 WeakPolarHBondContact CD1-O 3.18Å; F189-C281 HydrophobicContact CD2-CB 4.31Å; F189-C281 HydrophobicContact CE1-CB 3.77Å; F189-C281 HydrophobicContact CE2-CB 3.8Å; F189-C281 HydrophobicContact CZ-CB 3.5Å; F189-C281 VanDerWaalsContact CZ-CB 3.5Å; F189-C281 PolarHBondContact N-O 2.9Å; F189-C281 PolarHBondContact O-N 3.45Å; C206-C281 WeakPolarHBondContact CA-SG 3.48Å; C206-C281 HydrophobicContact CB-CB 3.75Å; C206-C281 WeakPolarHBondContact CB-SG 3.39Å; C206-C281 VanDerWaalsContact SG-CA 3.51Å; C206-C281 WeakPolarHBondContact SG-CB 3.2Å; C206-C281 CovalentContact SG-SG 2.04Å; C206-C281 PolarHBondContact SG-SG 3.35Å; A211-C281 HydrophobicContact CB-CB 3.83Å; V212-C281 CarbonylContact O-C 3.56Å; V212-C281 WeakPolarHBondContact O-CA 3.39Å |
| 282 | F | 97.8 | Very high | 76.8 | Confident | 21 Ų | 21 | 84.7 Ų | 84.7 | 9% | 0.092 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.5 | 173.4 | 174.1 | -98.8 | 0 | 0 | 0 | 111 | L184 E187 V188 A211 V212 A214 Q218 V284 | L184-F282 HydrophobicContact CD1-CD2 4.13Å; L184-F282 HydrophobicContact CD1-CE2 3.77Å; L184-F282 HydrophobicContact CG-CE2 4.27Å; E187-F282 WeakPolarHBondContact O-CA 3.25Å; E187-F282 WeakPolarHBondContact O-CD2 3.42Å; V188-F282 HydrophobicContact CG2-CB 4.35Å; V188-F282 HydrophobicContact CG2-CD2 3.86Å; A211-F282 WeakPolarHBondContact CA-O 3.42Å; A211-F282 VanDerWaalsContact CB-O 3.3Å; A211-F282 WeakPolarHBondContact CB-O 3.47Å; V212-F282 HydrophobicContact CG2-CB 4.49Å; V212-F282 HydrophobicContact CG2-CD1 4.4Å; V212-F282 PolarHBondContact N-O 3.46Å; V212-F282 PolarHBondContact O-N 3.44Å; A214-F282 HydrophobicContact CB-CB 3.89Å; Q218-F282 HydrophobicContact CB-CD2 4.47Å; Q218-F282 VanDerWaalsContact CD-CG 3.5Å; Q218-F282 HydrophobicContact CG-CD2 4.2Å; Q218-F282 HydrophobicContact CG-CE2 4.43Å; Q218-F282 HydrophobicContact CG-CG 4.43Å; Q218-F282 VanDerWaalsContact NE2-CD1 3.27Å; Q218-F282 VanDerWaalsContact OE1-CB 3.3Å; Q218-F282 VanDerWaalsContact OE1-CG 3.32Å; F282-V284 HydrophobicContact CE1-CG2 3.88Å; F282-V284 HydrophobicContact CZ-CG2 4.18Å |
| 283 | R | 95.3 | Very high | 74 | Confident | 107 Ų | 107 | 89.6 Ų | 89.6 | 40% | 0.404 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.5 | 166.9 | 62.1 | -176.8 | 177.5 | -176.5 | 0.1 | 110.2 | G186 E187 F189 A211 | G186-R283 WeakPolarHBondContact CA-O 3.36Å; E187-R283 HydrophobicContact CB-CG 4.24Å; E187-R283 PolarHBondContact N-O 2.81Å; E187-R283 PolarHBondContact O-N 3.15Å; E187-R283 IonicContact OE1-NH2 2.7Å; E187-R283 IonicContact OE2-CZ 3.89Å; E187-R283 IonicContact OE2-NE 2.67Å; E187-R283 PolarHBondContact OE2-NE 3.4Å; E187-R283 IonicContact OE2-NH2 3.13Å; E187-R283 PolarHBondContact OE2-NH2 2.84Å; F189-R283 HydrophobicContact CE1-CG 4.03Å; A211-R283 HydrophobicContact CB-CB 4.19Å |
| 284 | V | 90.6 | Very high | 71.4 | Confident | 101 Ų | 101 | 94.5 Ų | 94.5 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | trans | -70 | 133.9 | 168.1 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | F282 E286 | F282-V284 HydrophobicContact CE1-CG2 3.88Å; F282-V284 HydrophobicContact CZ-CG2 4.18Å; V284-E286 PolarHBondContact O-N 2.89Å | ||
| 285 | T | 79.7 | Confident | 68.6 | Low | 86 Ų | 86 | 96.3 Ų | 96.3 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | trans | -80.2 | 98.7 | 169.1 | 47.7 | 0 | 0 | 0 | 0 | 108.7 | E187 | E187-T285 HydrophobicContact CB-CG2 4.28Š| ||
| 286 | E | 60.6 | Low | 65.6 | Low | 169 Ų | 169 | 98.4 Ų | 98.4 | 79% | 0.79 | 52% | 0.521 | S | S | * | . | trans | -58.4 | 140.2 | 165.6 | -67.1 | -179.4 | 163.5 | 0 | 0 | 109.4 | V284 T288 | V284-E286 PolarHBondContact O-N 2.89Å; E286-T288 PolarHBondContact O-N 3.32Å | ||
| 287 | P | 45.7 | Very low | 62.5 | Low | 125 Ų | 125 | 99.4 Ų | 99.4 | 81% | 0.812 | 54% | 0.536 | S | S | * | . | trans | -59.7 | 125.4 | 173.1 | -21.9 | 33.3 | 0 | 0 | 0 | 110.4 | E289 | P287-E289 PolarHBondContact O-N 2.97Š| ||
| 288 | T | 35.8 | Very low | 59.3 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | trans | -69.3 | 111.1 | -180 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | E286 D290 | E286-T288 PolarHBondContact O-N 3.32Å; T288-D290 PolarHBondContact O-N 3.49Å | ||
| 289 | E | 41.3 | Very low | 56.2 | Low | 154 Ų | 154 | 113.2 Ų | 113.2 | 72% | 0.72 | 61% | 0.606 | S | S | * | * | trans | -70.5 | 53.3 | 168 | -69 | -169.3 | 162.4 | 0 | 0 | 112.3 | P287 G291 K292 | P287-E289 PolarHBondContact O-N 2.97Å; E289-G291 VanDerWaalsContact C-N 3.32Å; E289-G291 PolarHBondContact O-N 3.4Å; E289-G291 VanDerWaalsContact O-N 3.11Å; E289-K292 WeakPolarHBondContact OE2-CE 3.21Å; E289-K292 IonicContact OE2-NZ 3.53Å | ||
| 290 | D | 40.3 | Very low | 53.1 | Low | 150 Ų | 150 | 119.1 Ų | 119.1 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | trans | -82.8 | 79.3 | 170.1 | -80.4 | -48 | 0 | 0 | 0 | 109.6 | T288 | T288-D290 PolarHBondContact O-N 3.49Š| ||
| 291 | G | 33.9 | Very low | 50 | Low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | trans | 168.3 | 47.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E289 D293 | E289-G291 VanDerWaalsContact C-N 3.32Å; E289-G291 PolarHBondContact O-N 3.4Å; E289-G291 VanDerWaalsContact O-N 3.11Å; G291-D293 PolarHBondContact O-N 3.08Å | ||
| 292 | K | 33.1 | Very low | 46.7 | Very low | 171 Ų | 171 | 132 Ų | 132 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | -85 | 91.2 | 175.9 | -71.8 | -172.5 | 178.1 | -179.5 | 0 | 111.8 | E289 | E289-K292 WeakPolarHBondContact OE2-CE 3.21Å; E289-K292 IonicContact OE2-NZ 3.53Å | ||
| 293 | D | 33.3 | Very low | 43.5 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | trans | -91.7 | 144 | 146.1 | -79.2 | -52.8 | 0 | 0 | 0 | 109.3 | G291 E295 | G291-D293 PolarHBondContact O-N 3.08Å; D293-E295 PolarHBondContact O-N 2.95Å | ||
| 294 | E | 39.8 | Very low | 40.5 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -95.6 | 95.5 | -163.4 | -174.9 | 174.5 | -151.5 | 0 | 0 | 112.1 | ||||
| 295 | E | 33.2 | Very low | 37.6 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -119.5 | 110.6 | 169 | -163.6 | 165.7 | -128.2 | 0 | 0 | 112.2 | D293 V297 | D293-E295 PolarHBondContact O-N 2.95Å; E295-V297 PolarHBondContact O-N 2.88Å | ||
| 296 | T | 32.4 | Very low | 35.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | trans | -84.5 | 106.1 | -174.2 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 297 | V | 31.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -122.7 | 130.9 | 169.4 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | E295 K299 | E295-V297 PolarHBondContact O-N 2.88Å; V297-K299 PolarHBondContact O-N 2.88Å | ||
| 298 | T | 30.3 | Very low | 32.8 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74 | 121 | -167.6 | -42.2 | 0 | 0 | 0 | 0 | 113.2 | P300 | T298-P300 WeakPolarHBondContact O-CD 3.23Š|
| 299 | K | 31.7 | Very low | 32.3 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 129.1 | 167.8 | -81.4 | -175.9 | 176 | 175.5 | 0 | 111.4 | V297 | V297-K299 PolarHBondContact O-N 2.88Š|
| 300 | P | 33.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 138.2 | 161.4 | -15.7 | 30.7 | 0 | 0 | 0 | 110.6 | T298 G302 | T298-P300 WeakPolarHBondContact O-CD 3.23Å; P300-G302 PolarHBondContact O-N 2.79Å |
| 301 | Q | 31.8 | Very low | 31.3 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | trans | -85.1 | 104 | 175.5 | -71.2 | 177.3 | -53.3 | 0 | 0 | 110.8 | ||||
| 302 | G | 28.8 | Very low | 31.1 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 147.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P300 | P300-G302 PolarHBondContact O-N 2.79Š|
| 303 | V | 30.3 | Very low | 31 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 138.1 | -174.2 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 304 | I | 33.3 | Very low | 30.7 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87 | 124.8 | 178.6 | -57.6 | 169 | 0 | 0 | 0 | 110.2 | S306 | I304-S306 PolarHBondContact O-N 2.99Š|
| 305 | P | 29.2 | Very low | 30.4 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -84.1 | 98 | 158.6 | 24.8 | -14.2 | 0 | 0 | 0 | 109 | N307 | P305-N307 PolarHBondContact O-N 2.68Š| ||
| 306 | S | 32.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -85.4 | 95.7 | -175.4 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | I304 | I304-S306 PolarHBondContact O-N 2.99Š| ||
| 307 | N | 27.1 | Very low | 29.8 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -164.4 | 98.6 | 152.1 | -104.2 | -16.1 | 0 | 0 | 0 | 111.8 | P305 | P305-N307 PolarHBondContact O-N 2.68Š| ||
| 308 | W | 24.9 | Very low | 29.5 | Very low | 251 Ų | 251 | 146.4 Ų | 146.4 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -138.4 | 74.1 | 161.3 | -136.4 | 75.1 | 0 | 0 | 0 | 109.1 | ||||
| 309 | T | 25.9 | Very low | 29.5 | Very low | 114 Ų | 114 | 144 Ų | 144 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -74.8 | 130.1 | 173.1 | 46 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 310 | P | 31.9 | Very low | 29.5 | Very low | 83 Ų | 83 | 143.5 Ų | 143.5 | 54% | 0.539 | 79% | 0.789 | S | S | . | * | trans | -63.6 | 152.6 | 174.3 | 28 | -34.7 | 0 | 0 | 0 | 110.9 | H312 | P310-H312 VanDerWaalsContact C-N 3.34Å; P310-H312 PolarHBondContact O-N 3.17Å | ||
| 311 | P | 28.9 | Very low | 29.2 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -72.2 | 81.6 | -172.2 | 29.2 | -36.1 | 0 | 0 | 0 | 113 | K313 | P311-K313 PolarHBondContact O-N 2.9Š| ||
| 312 | H | 30.4 | Very low | 28.9 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -70.8 | 103.1 | 165.4 | -84.1 | -90.6 | 0 | 0 | 0 | 110.6 | P310 | P310-H312 VanDerWaalsContact C-N 3.34Å; P310-H312 PolarHBondContact O-N 3.17Å | ||
| 313 | K | 30 | Very low | 28.8 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -117 | 80.6 | 158.1 | -79.2 | -172.5 | 176.2 | 177.5 | 0 | 110.1 | P311 L315 | P311-K313 PolarHBondContact O-N 2.9Å; K313-L315 PolarHBondContact O-N 3.46Å | ||
| 314 | S | 28.2 | Very low | 28.7 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 125.4 | 163.9 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 315 | L | 32.6 | Very low | 28.3 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 130.7 | 165.9 | -74.1 | 163.1 | 0 | 0 | 0 | 109.3 | K313 F317 | K313-L315 PolarHBondContact O-N 3.46Å; L315-F317 PolarHBondContact O-N 3.27Å |
| 316 | P | 27.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 149.5 Ų | 149.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 121.5 | 171.2 | -16 | 30.2 | 0 | 0 | 0 | 109.7 | ||
| 317 | F | 25.2 | Very low | 28.3 | Very low | 185 Ų | 185 | 150 Ų | 150 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 126.2 | 165.1 | -156.3 | -91.4 | 0 | 0 | 0 | 107.8 | L315 | L315-F317 PolarHBondContact O-N 3.27Š|
| 318 | L | 26.2 | Very low | 28.2 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -113.3 | 114.8 | 179.1 | -163.8 | 77.2 | 0 | 0 | 0 | 109.5 | ||||
| 319 | S | 28.9 | Very low | 28.3 | Very low | 82 Ų | 82 | 144.9 Ų | 144.9 | 57% | 0.573 | 79% | 0.792 | S | S | * | * | trans | -142.7 | 141.1 | -179.6 | 51.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 320 | E | 31.8 | Very low | 28.5 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | cis | -169.6 | 147.8 | -3.1 | 169.5 | 174.6 | -178.6 | 0 | 0 | 107.8 | ||||
| 321 | Q | 26.8 | Very low | 28.3 | Very low | 186 Ų | 186 | 154.2 Ų | 154.2 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -173 | 144.2 | 162 | -102.7 | 158.2 | 19.5 | 0 | 0 | 106.8 | ||||
| 322 | L | 26.4 | Very low | 28.5 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | cis | -134.7 | 177.6 | 25.2 | -161.2 | 61.7 | 0 | 0 | 0 | 112.6 | ||||
| 323 | E | 26.7 | Very low | 28.3 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -73.8 | 169.8 | -164.7 | -61.9 | 161.7 | 111.7 | 0 | 0 | 116.5 | ||||
| 324 | A | 28.4 | Very low | 28.1 | Very low | 95 Ų | 95 | 149.5 Ų | 149.5 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -87.7 | 152 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 325 | A | 24.4 | Very low | 28 | Very low | 101 Ų | 101 | 149 Ų | 149 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -142.1 | 115.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 326 | Y | 25.6 | Very low | 27.7 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 86% | 0.863 | 81% | 0.806 | S | S | * | * | trans | -74.3 | 157.4 | 162.5 | -74.4 | -87.1 | 0 | 0 | 0 | 109.5 | ||||
| 327 | P | 35.6 | Very low | 28 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | -144.9 | 160.2 | 98.8 | 37.7 | -23 | 0 | 0 | 0 | 116.5 | |||||
| 328 | N | 26.1 | Very low | 28.2 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | 70.4 | 106.4 | 153 | -60.5 | -5 | 0 | 0 | 0 | 120.6 | ||||
| 329 | T | 27.7 | Very low | 28.2 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -60.2 | 140.2 | 145.3 | 45 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 330 | E | 28.3 | Very low | 28.1 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -158.1 | 157.8 | 134.2 | -119.5 | 166.9 | -154.5 | 0 | 0 | 112.6 | ||||
| 331 | K | 27.7 | Very low | 27.9 | Very low | 193 Ų | 193 | 144 Ų | 144 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -113.5 | 161.2 | 172.8 | -136.8 | -168.3 | 173.8 | -177.3 | 0 | 105.1 | ||||
| 332 | P | 34.5 | Very low | 27.6 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -146.2 | -164.5 | 13.1 | 32.1 | -6 | 0 | 0 | 0 | 115.3 | ||||
| 333 | T | 25 | Very low | 27.4 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 116.8 | 148.1 | 139.7 | -40.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 334 | L | 26.3 | Very low | 27.3 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 166.1 | -175.9 | -173.9 | 68.6 | 0 | 0 | 0 | 113.9 | ||||
| 335 | A | 26 | Very low | 27.3 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 91 | 129.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 336 | S | 27.6 | Very low | 27.6 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -90.9 | 150.3 | 157.8 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 337 | P | 33.9 | Very low | 27.9 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | -142.5 | 146.9 | 109.4 | 38 | -25.3 | 0 | 0 | 0 | 115.7 | |||||
| 338 | E | 28.1 | Very low | 27.8 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 33.7 | 114.8 | 133.2 | -64.3 | -176.1 | 161.6 | 0 | 0 | 121.5 | ||||
| 339 | T | 26.4 | Very low | 28.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | 83.2 | 96 | 115 | -51.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 340 | E | 26.6 | Very low | 28.3 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | 95.6 | 153.8 | 126.9 | -94.2 | -176 | -145.4 | 0 | 0 | 125.2 | |||||
| 341 | Q | 27.3 | Very low | 28.5 | Very low | 156 Ų | 156 | 133 Ų | 133 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | trans | 65.3 | 107.1 | 156.3 | -71.5 | 177.2 | 51.4 | 0 | 0 | 120.7 | ||||
| 342 | T | 21.8 | Very low | 28.6 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | trans | 1.7 | 136.5 | 132.4 | 49.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 343 | F | 22.5 | Very low | 28.6 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | -164.9 | 153.1 | 99.8 | -119.6 | -113.9 | 0 | 0 | 0 | 112.6 | |||||
| 344 | T | 24.6 | Very low | 28.8 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | trans | 6.3 | 159.5 | 153.3 | 58.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 345 | A | 28.4 | Very low | 29 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | cis | 175.9 | 177.1 | -18 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 346 | S | 29.1 | Very low | 29 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | trans | 80.7 | 160.1 | 162.6 | -24.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 347 | H | 33.3 | Very low | 29.1 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | cis | -152.7 | 148.5 | 20.7 | -149.9 | 75.9 | 0 | 0 | 0 | 112.9 | ||||
| 348 | S | 33.5 | Very low | 28.8 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | trans | 60.7 | 149.6 | 154.7 | 49.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 349 | Q | 33.8 | Very low | 28.8 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | cis | -155 | 140.8 | -6.3 | -113.2 | 165.1 | 34.7 | 0 | 0 | 107.6 | ||||
| 350 | A | 30.6 | Very low | 29 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | 57.9 | 138.9 | 95.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 351 | K | 32.4 | Very low | 29.3 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | cis | -172.3 | 169.4 | 14.4 | -121.1 | 171.6 | -174.5 | 176.9 | 0 | 107.5 | ||||
| 352 | S | 29.7 | Very low | 30.3 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | cis | -166.6 | 169.5 | -2.3 | -153.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 353 | A | 33.2 | Very low | 30.8 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | trans | 76.9 | 137.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 354 | T | 29.4 | Very low | 31.2 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | cis | -169.3 | 156.2 | 1.9 | 17.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 355 | S | 30.4 | Very low | 31.4 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | cis | -178.3 | -159.7 | -18.7 | 47.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 356 | F | 27.3 | Very low | 31.4 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | trans | 76.6 | 148.6 | 167.1 | -45.2 | -68.9 | 0 | 0 | 0 | 118 | ||||
| 357 | E | 28.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | cis | -147.7 | 81.2 | -37 | -163.9 | 170.5 | -58.6 | 0 | 0 | 112.7 | ||||
| 358 | T | 28.1 | Very low | 32.5 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | 34.7 | 129.8 | 130.8 | 61.3 | 0 | 0 | 0 | 0 | 122 | K360 | T358-K360 PolarHBondContact O-NZ 2.7Å; T358-K360 VanDerWaalsContact O-NZ 3.12Å | ||
| 359 | S | 28.6 | Very low | 32.3 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | -163.2 | 161.9 | 156.1 | -69.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 360 | K | 29.3 | Very low | 32.2 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | cis | -165.8 | 179 | -38.9 | -97.8 | 141.8 | -150 | 153.2 | 0 | 107.8 | T358 | T358-K360 PolarHBondContact O-NZ 2.7Å; T358-K360 VanDerWaalsContact O-NZ 3.12Å | ||
| 361 | K | 33.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | -150.7 | 158.7 | -171.7 | -155.9 | -148.4 | 175.4 | -165.1 | 0 | 112.4 | T363 | K361-T363 WeakPolarHBondContact CD-OG1 3.18Å; K361-T363 WeakPolarHBondContact CE-OG1 3.37Å; K361-T363 PolarHBondContact NZ-OG1 3.01Å | ||
| 362 | P | 47.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | -140.2 | 157.4 | 95.9 | 19.4 | 4 | 0 | 0 | 0 | 114 | |||||
| 363 | T | 32.4 | Very low | 31.6 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 56% | 0.558 | 73% | 0.726 | S | S | * | * | cis | 90.2 | 121.5 | 46 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | K361 | K361-T363 WeakPolarHBondContact CD-OG1 3.18Å; K361-T363 WeakPolarHBondContact CE-OG1 3.37Å; K361-T363 PolarHBondContact NZ-OG1 3.01Å | ||
| 364 | L | 30.8 | Very low | 31.7 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | 178.4 | 151.9 | 86.1 | -173.9 | 55.5 | 0 | 0 | 0 | 115.9 | |||||
| 365 | A | 29.6 | Very low | 31.5 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | trans | 54.2 | 118.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 128.4 | ||||
| 366 | S | 29 | Very low | 31.3 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | 17.2 | 165.5 | 122.1 | -53.9 | 0 | 0 | 0 | 0 | 125 | |||||
| 367 | P | 56 | Low | 31.4 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | cis | -122 | -145.1 | -6.1 | 22.5 | 4.7 | 0 | 0 | 0 | 111.2 | ||||
| 368 | E | 27.9 | Very low | 31.6 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | cis | -144.2 | -174.7 | 6 | -69.4 | -174.4 | 113.6 | 0 | 0 | 110.9 | ||||
| 369 | T | 29.7 | Very low | 32 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | -134.3 | -166.3 | -179.9 | 61.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 370 | E | 31.2 | Very low | 32.5 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | cis | -158 | -150.1 | 26.9 | -157.1 | 46.6 | -93.2 | 0 | 0 | 113.7 | ||||
| 371 | Q | 29.5 | Very low | 32.6 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -106.8 | 168.4 | -155.5 | -83.1 | 165.6 | 60.8 | 0 | 0 | 119.7 | ||||
| 372 | T | 25.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -30.2 | 149.6 | 167 | 49.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 373 | F | 25.4 | Very low | 31.6 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | -167.8 | 173.2 | 104 | -121 | -92.3 | 0 | 0 | 0 | 113.4 | |||||
| 374 | T | 35.1 | Very low | 31.4 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -119 | 142.7 | -169 | 54.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 375 | A | 26.4 | Very low | 31.4 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -155.2 | 132.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 376 | S | 25.9 | Very low | 31.5 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 49.7 | 123.3 | 142.2 | -55.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 377 | H | 29.7 | Very low | 31.7 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 71.4 | 120.8 | 136.3 | -79.7 | -6.7 | 0 | 0 | 0 | 124.4 | ||||
| 378 | S | 32.6 | Very low | 30.7 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 32.9 | 124 | 138.1 | 61 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 379 | Q | 37.2 | Very low | 31.2 | Very low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | 16.5 | 141.3 | 124.1 | -71.3 | -170.3 | 10.8 | 0 | 0 | 119.8 | |||||
| 380 | A | 37.6 | Very low | 31.6 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | cis | -173.1 | -176.9 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 381 | K | 31.5 | Very low | 31.9 | Very low | 211 Ų | 211 | 131.7 Ų | 131.7 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | 83.2 | 156.5 | 162.2 | -68 | -175.5 | 175.5 | 179.9 | 0 | 118.7 | ||||
| 382 | S | 28.8 | Very low | 32.1 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -113.3 | 168.9 | -174.7 | -52 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 383 | A | 32.6 | Very low | 32.5 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 94.8 | 107.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 384 | T | 28 | Very low | 32.8 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | 76.8 | 113.3 | 130 | 53.2 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 385 | S | 29.8 | Very low | 32.6 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | 87.1 | 109.5 | 121.4 | 65.4 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 386 | F | 31.9 | Very low | 33 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 82% | 0.82 | 76% | 0.76 | S | S | * | * | trans | 80.2 | 120.8 | 132 | -82.8 | -102.3 | 0 | 0 | 0 | 123.3 | ||||
| 387 | E | 34.4 | Very low | 33.1 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 78.1 | 109.2 | 145.4 | -78.3 | -167.8 | -132.8 | 0 | 0 | 125.7 | ||||
| 388 | T | 34.2 | Very low | 33 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | 90.6 | 82.8 | 121.3 | -50.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 389 | S | 39.3 | Very low | 32.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 45.7 | 126.6 | 137.6 | 67 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 390 | S | 38.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | 151.8 | 138.9 | 103.4 | -169.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 391 | S | 35.7 | Very low | 32.6 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | 67.8 | 126.6 | 141.8 | 52.7 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 392 | T | 33.8 | Very low | 32.3 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 73.8 | 154.8 | 136.9 | 53 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 393 | I | 33.7 | Very low | 32.1 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | cis | -172.2 | 154.7 | -27.9 | -165.1 | 164.9 | 0 | 0 | 0 | 112.7 | ||||
| 394 | T | 31.8 | Very low | 31.9 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 63.5 | 155.2 | 165 | 47.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 395 | D | 30.9 | Very low | 31.7 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | cis | -139.8 | -165.2 | 3.1 | -149.5 | -10.9 | 0 | 0 | 0 | 113.6 | ||||
| 396 | K | 35.1 | Very low | 31.7 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | -110.4 | 162.9 | -153.3 | -56.9 | 145.1 | -172.3 | 150.3 | 0 | 119.8 | ||||
| 397 | G | 28 | Very low | 32 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 114.6 | 158.2 | 133.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 398 | S | 28.4 | Very low | 31.6 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | -169.6 | 171.4 | -17.2 | -158.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 399 | T | 29.1 | Very low | 31.3 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 70.5 | 140.9 | 156.1 | 43.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 400 | N | 25.5 | Very low | 30.6 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -68 | -174.3 | 156.1 | -79.6 | -20.8 | 0 | 0 | 0 | 112.4 | ||||
| 401 | P | 45 | Very low | 30 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -134.8 | -162.4 | -15.4 | 25.8 | 0.1 | 0 | 0 | 0 | 113.6 | ||||
| 402 | S | 24.1 | Very low | 29.6 | Very low | 94 Ų | 94 | 126.2 Ų | 126.2 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | 86.8 | 145.1 | 137.1 | -67.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 403 | T | 24 | Very low | 29.3 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | 73.1 | 153.3 | 144.8 | 39.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 404 | S | 28.6 | Very low | 29 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -74.8 | 142.2 | 178.7 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 405 | G | 24.2 | Very low | 28.6 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | -163.6 | 123.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 406 | H | 29.7 | Very low | 28.2 | Very low | 195 Ų | 195 | 130.2 Ų | 130.2 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | trans | -74.7 | 172.5 | 147.9 | -111.5 | 39.2 | 0 | 0 | 0 | 108.8 | ||||
| 407 | P | 38.3 | Very low | 27.7 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | cis | -139.3 | -155.3 | 16.7 | 43 | -22.7 | 0 | 0 | 0 | 114.1 | ||||
| 408 | G | 26 | Very low | 28 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | 94.3 | 126.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 409 | E | 27.3 | Very low | 27.9 | Very low | 195 Ų | 195 | 129.2 Ų | 129.2 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | 55.3 | 124.9 | 60.4 | -59.9 | -164.7 | 127.5 | 0 | 0 | 111.8 | |||||
| 410 | M | 26 | Very low | 27.9 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | cis | -146.4 | 158 | 40.7 | -154.7 | 148.1 | 73.4 | 0 | 0 | 109.5 | ||||
| 411 | S | 25.6 | Very low | 27.7 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | 34.7 | 144.8 | 78.2 | -115.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 412 | S | 27.2 | Very low | 26.8 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | cis | -156.8 | 171.3 | 13.5 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 413 | K | 26.4 | Very low | 26.9 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -33.1 | 147.1 | 154.2 | -43.7 | 150.6 | -173.5 | 176.1 | 0 | 113.6 | ||||
| 414 | H | 28.4 | Very low | 27 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | -156.7 | 127.8 | 115.1 | -92.2 | -69.4 | 0 | 0 | 0 | 106.6 | |||||
| 415 | M | 23.5 | Very low | 27 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | 67.4 | 122.9 | 69.9 | -70.8 | -174.3 | 65.4 | 0 | 0 | 114.8 | |||||
| 416 | T | 22.8 | Very low | 27.2 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 64.3 | 157.1 | 151.3 | 54.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 417 | S | 23.5 | Very low | 27.1 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | cis | -139.5 | 159.7 | 3.3 | -161.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 418 | T | 35.3 | Very low | 26.6 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | -81.5 | 118.1 | 166.7 | -52.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 419 | T | 26.1 | Very low | 26.7 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | trans | -169.9 | 148.4 | 169.9 | 37.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 420 | V | 27.8 | Very low | 26.6 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | cis | -152.6 | 160.5 | -9.7 | 112.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 421 | S | 22.8 | Very low | 26.6 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | -101.2 | 157.8 | -172.5 | -50 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 422 | S | 25.1 | Very low | 26.7 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 64.7 | 171.9 | 148.9 | 64.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 423 | L | 26.9 | Very low | 26.7 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | -123 | -176.7 | 3.6 | -65.6 | 155.1 | 0 | 0 | 0 | 108.5 | ||||
| 424 | T | 26.6 | Very low | 26.9 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | cis | -156.7 | 171 | 28.9 | 48.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 425 | E | 28.2 | Very low | 26.9 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | cis | -163.3 | 154.3 | -23.9 | -104.3 | 173.9 | 168.3 | 0 | 0 | 110.8 | ||||
| 426 | H | 27.3 | Very low | 27.1 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 43.2 | 148.4 | 146.3 | -64.9 | -55 | 0 | 0 | 0 | 126 | ||||
| 427 | A | 29.1 | Very low | 27.2 | Very low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | 74.1 | 147.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 428 | E | 26.5 | Very low | 27.5 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | cis | -162.9 | 164.5 | -15.4 | -122 | -159.9 | 144.5 | 0 | 0 | 110.8 | ||||
| 429 | K | 28.1 | Very low | 27 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 63.8 | 153.5 | 155.6 | -70.7 | 175.8 | 173.6 | 72.3 | 0 | 119.7 | ||||
| 430 | S | 25.9 | Very low | 27.2 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -92.4 | 157.4 | 175.9 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 431 | V | 25.3 | Very low | 27.1 | Very low | 147 Ų | 147 | 126 Ų | 126 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | trans | 158.8 | 148.8 | 133.9 | 155.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 432 | G | 28.5 | Very low | 27.4 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | 106.6 | 104 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 433 | A | 26.9 | Very low | 27.4 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | cis | 74.7 | 100.9 | 10.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 434 | T | 29.9 | Very low | 27.5 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -155.6 | 125.9 | 152.5 | 44 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 435 | T | 28.9 | Very low | 27.5 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | trans | 41.5 | 130.3 | 141.3 | 60.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 436 | E | 27.5 | Very low | 27.6 | Very low | 172 Ų | 172 | 122.9 Ų | 122.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 70.9 | 134 | 51.2 | -61.1 | 177.5 | 146.6 | 0 | 0 | 114.9 | |||||
| 437 | D | 25.8 | Very low | 27.8 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | 82.5 | 117.3 | 140.8 | -77.4 | 17.3 | 0 | 0 | 0 | 125.4 | ||||
| 438 | M | 29.2 | Very low | 28 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 70% | 0.704 | 76% | 0.756 | S | S | * | * | 88 | 118.7 | 129.1 | -62.4 | -64.7 | 160.3 | 0 | 0 | 123 | |||||
| 439 | D | 25.7 | Very low | 28 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 40.5 | 122.3 | 135.2 | -66.4 | -2 | 0 | 0 | 0 | 121.9 | ||||
| 440 | G | 29.7 | Very low | 28.1 | Very low | 79 Ų | 79 | 121.3 Ų | 121.3 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | -159.4 | 103.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 441 | S | 26.4 | Very low | 28.2 | Very low | 131 Ų | 131 | 121.3 Ų | 121.3 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -72.3 | 133.7 | 172 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 442 | G | 29.2 | Very low | 28.4 | Very low | 74 Ų | 74 | 119.7 Ų | 119.7 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | -154.7 | 124.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 443 | T | 25 | Very low | 28.5 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -105.8 | 179.9 | 179.6 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 444 | T | 27.8 | Very low | 28.6 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 78.6 | 121.7 | 178.3 | 74.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 445 | S | 26.5 | Very low | 28.7 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 84.5 | 131.6 | 74.8 | -151.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 446 | T | 31 | Very low | 28.6 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | cis | -153.2 | 174.8 | 15.2 | -25.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 447 | D | 31.1 | Very low | 28.5 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | 66.9 | 112.5 | 160.5 | -51 | -40.9 | 0 | 0 | 0 | 118.7 | ||||
| 448 | L | 32.3 | Very low | 28.6 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | cis | 88.4 | 134.9 | 41.3 | -65.8 | 170.3 | 0 | 0 | 0 | 113.6 | ||||
| 449 | F | 27.2 | Very low | 28.5 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 77% | 0.772 | 77% | 0.768 | S | S | * | * | cis | -118.6 | 150.6 | -2 | -82.1 | -101.3 | 0 | 0 | 0 | 109.4 | ||||
| 450 | S | 29.5 | Very low | 28.8 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 51.8 | 134.1 | 73.5 | -145.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 451 | S | 28.3 | Very low | 28.6 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | cis | -137.2 | 172.9 | 28.1 | 57.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 452 | S | 30.5 | Very low | 28.7 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -163.2 | -167.6 | -175.8 | -74.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 453 | I | 31.1 | Very low | 28.6 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 101.3 | 127.6 | 158.9 | -59.2 | 177.6 | 0 | 0 | 0 | 115.5 | ||||
| 454 | R | 28.1 | Very low | 28.5 | Very low | 198 Ų | 198 | 131.2 Ų | 131.2 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | cis | -164.9 | 167.3 | -19.6 | -118.1 | 176.5 | -161.5 | -164.3 | 3.9 | 109.9 | I456 | R454-I456 HydrophobicContact CB-CG1 4.31Š| ||
| 455 | V | 32 | Very low | 28.4 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -90.6 | 129.2 | 153.6 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 456 | I | 26.5 | Very low | 28.2 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -153.4 | 144.8 | 167.2 | -53.1 | 179.9 | 0 | 0 | 0 | 104.8 | R454 | R454-I456 HydrophobicContact CB-CG1 4.31Š| ||
| 457 | G | 25.5 | Very low | 28.2 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | cis | 177 | 172.6 | -1.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 458 | V | 28.3 | Very low | 28.1 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -125.4 | 137.5 | -166.6 | -155.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 459 | S | 27.1 | Very low | 27.9 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 73.8 | 152.4 | 158.4 | -144.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 460 | S | 30.9 | Very low | 27.8 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -169.7 | 145.4 | -33.4 | -83.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 461 | S | 26.7 | Very low | 27.6 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -153.6 | 101.1 | 158.7 | -72.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 462 | L | 29.2 | Very low | 27.6 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 63.3 | 113.7 | 78.2 | -70.7 | 177.4 | 0 | 0 | 0 | 115.5 | |||||
| 463 | Y | 25.1 | Very low | 27.2 | Very low | 232 Ų | 232 | 132.4 Ų | 132.4 | 91% | 0.91 | 76% | 0.759 | S | S | * | * | trans | -121.4 | 139.8 | 136.2 | -129.1 | -86.9 | 0 | 0 | 0 | 107.2 | ||||
| 464 | S | 22.8 | Very low | 28 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | -65.8 | 145.3 | -175.6 | -46 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 465 | I | 27.4 | Very low | 27.9 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | 44.6 | 116 | 68.6 | -46.2 | 175.7 | 0 | 0 | 0 | 112.2 | |||||
| 466 | D | 22.1 | Very low | 27.7 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | trans | -131.2 | 101.3 | 157.3 | -164.3 | -8.1 | 0 | 0 | 0 | 109.5 | T468 | D466-T468 WeakPolarHBondContact OD1-CG2 3.02Å; D466-T468 PolarHBondContact OD1-OG1 2.66Å | ||
| 467 | T | 30.8 | Very low | 27.7 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | -141.2 | 89.9 | 167.4 | -31.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 468 | T | 27.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | trans | -99.8 | 105.8 | -160.9 | 20 | 0 | 0 | 0 | 0 | 113.6 | D466 | D466-T468 WeakPolarHBondContact OD1-CG2 3.02Å; D466-T468 PolarHBondContact OD1-OG1 2.66Å | ||
| 469 | T | 28.1 | Very low | 27.7 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -173 | 114.3 | 140.8 | 17.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 470 | V | 26 | Very low | 27.5 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | 66.4 | 114.7 | 68.6 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 471 | T | 25.3 | Very low | 27.2 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | cis | -157.7 | -170.3 | 3.9 | 7.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 472 | L | 27.9 | Very low | 27.1 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | cis | -154.8 | -160.3 | 11.8 | -134.9 | -176.2 | 0 | 0 | 0 | 110.8 | ||||
| 473 | S | 22.2 | Very low | 26.9 | Very low | 83 Ų | 83 | 129.6 Ų | 129.6 | 58% | 0.58 | 73% | 0.731 | S | S | * | * | trans | -141.4 | -169.4 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 474 | P | 48.8 | Very low | 27 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | cis | -103 | -142.2 | -9.5 | 20 | 4.8 | 0 | 0 | 0 | 111.7 | ||||
| 475 | E | 25.7 | Very low | 27.4 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | cis | -146.4 | -165.3 | 18.5 | -68.6 | -179.8 | 149.3 | 0 | 0 | 112 | P830 G831 | E475-P830 VanDerWaalsContact O-CB 3.31Å; E475-P830 WeakPolarHBondContact O-CB 3.2Å; E475-G831 CarbonylContact O-C 3.54Å; E475-G831 WeakPolarHBondContact O-CA 3.47Å | ||
| 476 | S | 26.6 | Very low | 27.4 | Very low | 49 Ų | 49 | 123.7 Ų | 123.7 | 34% | 0.343 | 73% | 0.727 | S | S | . | * | trans | -159.2 | 141.6 | -171.1 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | G831 | S476-G831 WeakPolarHBondContact CA-O 3.49Å; S476-G831 WeakPolarHBondContact CB-O 3.45Å | ||
| 477 | E | 27.9 | Very low | 27.6 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | 175.6 | 134.2 | 137.1 | -104.2 | -178.7 | -168.7 | 0 | 0 | 117.7 | ||||
| 478 | S | 26.9 | Very low | 27.3 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | 48.6 | 132.4 | 137.6 | 91.7 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 479 | A | 26.1 | Very low | 27.2 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 86.6 | 128.1 | 125.7 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 480 | S | 23.7 | Very low | 27 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 90.8 | 111.7 | 135.8 | -69.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 481 | V | 23.5 | Very low | 27 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | 60.9 | 113.5 | 126.9 | -177.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 482 | R | 25.4 | Very low | 27 | Very low | 238 Ų | 238 | 127.1 Ų | 127.1 | 90% | 0.898 | 73% | 0.729 | S | S | * | * | -168.1 | -174.8 | 104 | -134.9 | 165.5 | -178 | 177.8 | 0.4 | 114.1 | |||||
| 483 | T | 23.9 | Very low | 27 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | -120.8 | 144 | -159 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 484 | G | 27.9 | Very low | 27.2 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | 79 | 170.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 485 | Q | 30.6 | Very low | 26.1 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | cis | -159.4 | 144.4 | -5.3 | -142.8 | -174.3 | -16.7 | 0 | 0 | 112 | ||||
| 486 | S | 27.5 | Very low | 26.1 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | trans | 34.9 | 137.4 | 139.4 | -167 | 0 | 0 | 0 | 0 | 122 | ||||
| 487 | T | 26.6 | Very low | 26.1 | Very low | 147 Ų | 147 | 132 Ų | 132 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | -152.2 | 127.6 | 115.9 | -2.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 488 | S | 24.7 | Very low | 26.9 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -108.3 | 156.9 | 171.7 | -50.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 489 | V | 25.2 | Very low | 27.1 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 92% | 0.915 | 78% | 0.777 | S | S | * | * | trans | -131.4 | 150.2 | 152.7 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 490 | K | 23.9 | Very low | 27.1 | Very low | 162 Ų | 162 | 138 Ų | 138 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | trans | -153.5 | -176.8 | -169.8 | -165.2 | -156 | 168.7 | -164.3 | 0 | 108.4 | ||||
| 491 | L | 26.9 | Very low | 27 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | 95.3 | 125 | 166 | -51.4 | 176.1 | 0 | 0 | 0 | 112.8 | ||||
| 492 | Q | 25.6 | Very low | 27.1 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 60% | 0.603 | 78% | 0.779 | S | S | * | * | 71.1 | 142.5 | 71.2 | -72.5 | 166.4 | -106.3 | 0 | 0 | 111.4 | |||||
| 493 | E | 27.9 | Very low | 27.2 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | cis | -159.5 | -168.6 | 18 | -143.5 | 146.8 | -142.3 | 0 | 0 | 115.2 | ||||
| 494 | T | 26.9 | Very low | 27.4 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -49.6 | 178.3 | -179.6 | 57.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 495 | S | 24.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | -173.4 | -178.6 | 33.6 | -156.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 496 | A | 25.1 | Very low | 28 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 125.6 | 148.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 497 | V | 28 | Very low | 27.9 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -149.9 | 159.2 | -179.1 | -151.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 498 | P | 44.5 | Very low | 27.8 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | -150.1 | -155.5 | 107.1 | 39.8 | -20 | 0 | 0 | 0 | 115.2 | |||||
| 499 | E | 29.8 | Very low | 27.8 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -108.7 | 167.8 | -149.6 | -56.1 | 177.1 | 104.1 | 0 | 0 | 119.7 | ||||
| 500 | E | 27.7 | Very low | 27.8 | Very low | 189 Ų | 189 | 137 Ų | 137 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | 96.3 | 138.4 | 136.3 | -118.6 | -162.2 | 177.7 | 0 | 0 | 125.4 | ||||
| 501 | S | 21.8 | Very low | 27.8 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 117 | 127.2 | 141.4 | -158.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 502 | S | 24.2 | Very low | 27.7 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 64.7 | 124.1 | 166.4 | 66 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 503 | K | 28.2 | Very low | 27.7 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | 81.5 | 108.6 | 55.2 | -83.1 | -173.2 | 173.1 | 174.1 | 0 | 114.7 | |||||
| 504 | S | 28.4 | Very low | 27.7 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | 81.7 | 142.2 | 78.5 | -61.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 505 | P | 44.3 | Very low | 28.3 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | -123.6 | 156.5 | 54.5 | 12.2 | 12.7 | 0 | 0 | 0 | 114.9 | |||||
| 506 | I | 27.2 | Very low | 28.3 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | cis | 76.4 | 115.4 | 49.4 | -54.3 | 158.7 | 0 | 0 | 0 | 111.2 | ||||
| 507 | T | 23.9 | Very low | 28.3 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | -159.9 | 155.7 | 81.2 | 42.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 508 | R | 25.1 | Very low | 28.3 | Very low | 208 Ų | 208 | 141.5 Ų | 141.5 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | 35.4 | 152 | 129.3 | -57.6 | 173.4 | 135.1 | 130.3 | 0.1 | 121.1 | |||||
| 509 | E | 25.6 | Very low | 27.5 | Very low | 142 Ų | 142 | 144 Ų | 144 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | cis | -156.8 | 141 | -4.9 | -111.3 | 156.8 | -151.7 | 0 | 0 | 105.9 | ||||
| 510 | D | 23.3 | Very low | 27.3 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | 62.3 | 145.6 | 93 | -163.2 | 29.3 | 0 | 0 | 0 | 116.9 | |||||
| 511 | R | 25.9 | Very low | 27.4 | Very low | 196 Ų | 196 | 137.1 Ų | 137.1 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | trans | 86.2 | 120.8 | 160 | -47.5 | -163.4 | 171.5 | -168.6 | -6.1 | 123.1 | ||||
| 512 | T | 23.5 | Very low | 27.9 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | 59.1 | 150 | 128.6 | 60.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 513 | S | 26 | Very low | 28.1 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | cis | -169 | 176 | -12 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 514 | K | 28.4 | Very low | 28 | Very low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -52.2 | 169.7 | 158.3 | -106.3 | -172.2 | 177 | 179.4 | 0 | 112.3 | ||||
| 515 | P | 39.7 | Very low | 27.8 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | cis | -145.6 | -176.3 | 27.9 | 38.8 | -16.6 | 0 | 0 | 0 | 118.5 | ||||
| 516 | T | 23.8 | Very low | 27.1 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 62.7 | 158.3 | 152.2 | 41.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 517 | S | 25.9 | Very low | 27 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | cis | -169.4 | 157.8 | -18.5 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 518 | E | 27.3 | Very low | 27.3 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | 67.7 | 169.7 | 154.6 | -75.8 | -162.6 | 168.2 | 0 | 0 | 121.9 | ||||
| 519 | M | 28.5 | Very low | 27.3 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | trans | -94.5 | 144.2 | -174.6 | -61 | 127.4 | 49.4 | 0 | 0 | 112.2 | ||||
| 520 | S | 25.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | -171.3 | 163.6 | 126.9 | -160.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 521 | S | 29.8 | Very low | 27.8 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -104.5 | 139.3 | -174.4 | -47.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 522 | R | 31.8 | Very low | 28 | Very low | 239 Ų | 239 | 136.7 Ų | 136.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -174.3 | 163.9 | 133.1 | -105.3 | 166.4 | -169.9 | 126.4 | 1.3 | 113.4 | ||||
| 523 | D | 27.6 | Very low | 28.3 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -93.1 | 147.2 | -166.9 | -31.8 | -108 | 0 | 0 | 0 | 113.3 | ||||
| 524 | I | 25.8 | Very low | 28.4 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -140.8 | 151.8 | 142.1 | -70.3 | -164.2 | 0 | 0 | 0 | 107.7 | ||||
| 525 | A | 24.9 | Very low | 28.7 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -105.1 | -175.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 526 | S | 28.6 | Very low | 29.1 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 74 | 147.6 | 168.5 | 75 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 527 | S | 26.8 | Very low | 29.7 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | cis | -174.1 | 140.3 | -22.8 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 528 | I | 29.1 | Very low | 30 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 67.3 | 136 | 158.7 | -58.3 | 156.5 | 0 | 0 | 0 | 112.5 | ||||
| 529 | D | 25 | Very low | 30.3 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | cis | -148.6 | -155.4 | 40.5 | -150 | -20.9 | 0 | 0 | 0 | 114.4 | ||||
| 530 | S | 28.5 | Very low | 30.5 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -124.8 | 162.4 | -153.9 | -43.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 531 | S | 30.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 69.4 | 168.6 | 163 | 81.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 532 | M | 31.8 | Very low | 30.9 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | cis | -150.5 | 171.2 | 9.2 | -156.1 | 168.8 | 170.7 | 0 | 0 | 111.1 | ||||
| 533 | F | 28.2 | Very low | 31.9 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 89% | 0.886 | 76% | 0.755 | S | S | * | * | trans | -121.7 | 145.5 | 161.1 | -123.4 | -84.4 | 0 | 0 | 0 | 109.3 | ||||
| 534 | T | 29.5 | Very low | 32 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -112.3 | 163.4 | -156.7 | 49.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 535 | T | 34.6 | Very low | 32.1 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | trans | -116.2 | 178.3 | 170.6 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 536 | E | 47.5 | Very low | 32.6 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -114.8 | 172.3 | 175 | -71.1 | -138.1 | 101.6 | 0 | 0 | 109.9 | ||||
| 537 | K | 37.1 | Very low | 32.8 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 64% | 0.635 | 77% | 0.766 | S | S | * | * | cis | -162.5 | 169 | 5.8 | -133.5 | 179.7 | 177.1 | 70.8 | 0 | 107.5 | ||||
| 538 | T | 31.9 | Very low | 33.1 | Very low | 103 Ų | 103 | 137 Ų | 137 | 63% | 0.632 | 77% | 0.769 | S | S | * | * | cis | -154.8 | -172.2 | 3.3 | -20.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 539 | T | 32.5 | Very low | 33.5 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | -28.7 | 159.3 | 156 | 55.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 540 | D | 32.7 | Very low | 34.5 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | cis | -162.8 | 179.8 | 6.5 | -128.8 | -40.5 | 0 | 0 | 0 | 115.8 | ||||
| 541 | L | 28.8 | Very low | 34.9 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 106.1 | 138.9 | 155.9 | -55.7 | -172.2 | 0 | 0 | 0 | 120.6 | ||||
| 542 | L | 35.7 | Very low | 35.3 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -99.9 | 178.1 | -176.5 | -85.2 | 163.4 | 0 | 0 | 0 | 111 | ||||
| 543 | P | 52.6 | Low | 35.8 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | cis | -150.4 | 169.2 | 26.7 | 43.3 | -21.9 | 0 | 0 | 0 | 121.2 | ||||
| 544 | T | 30.9 | Very low | 36.3 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | 59.1 | 136.5 | 145.2 | 49.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 545 | G | 28 | Very low | 36.4 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | 155.9 | 131.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 546 | E | 33.9 | Very low | 36.6 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -119.8 | 137.8 | 179.6 | -71.9 | -178.7 | 119.9 | 0 | 0 | 113.9 | ||||
| 547 | D | 33.1 | Very low | 37.4 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | 42.1 | 151.1 | 142.7 | -146.8 | 13.2 | 0 | 0 | 0 | 125.7 | ||||
| 548 | S | 34.2 | Very low | 37.3 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | 90.4 | 105.8 | 143.9 | 77.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 549 | D | 37.5 | Very low | 37.6 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | 119.1 | 125.4 | 109.8 | -139.6 | 22.6 | 0 | 0 | 0 | 124.6 | |||||
| 550 | Q | 45.7 | Very low | 37.7 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 32.3 | 130.4 | 152.3 | -86.8 | 170.8 | 89 | 0 | 0 | 127.4 | ||||
| 551 | T | 36 | Very low | 37.7 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | -164.9 | 166.4 | 115 | 38.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 552 | R | 39.6 | Very low | 37.8 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | cis | -170.5 | 164 | -24.1 | -98.1 | -178.8 | -166 | -89.3 | -5.2 | 106.3 | ||||
| 553 | Q | 41.9 | Very low | 37.6 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 59% | 0.589 | 76% | 0.76 | S | S | * | * | cis | 179.7 | 149.5 | -14.8 | 178.6 | -158.3 | -77.7 | 0 | 0 | 109.4 | ||||
| 554 | T | 38.1 | Very low | 36.3 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | trans | 65 | 167.5 | 168 | 26.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 555 | T | 32.8 | Very low | 36.2 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -159.5 | 153.5 | 6.1 | 8.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 556 | R | 39.1 | Very low | 36 | Very low | 230 Ų | 230 | 135.8 Ų | 135.8 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | cis | -160.5 | -49.5 | -14.1 | 168.2 | -175.6 | 178.4 | -151.2 | -0.8 | 115.1 | ||||
| 557 | P | 64 | Low | 35.6 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | -133.1 | 173.6 | -161.4 | 41.5 | -23.2 | 0 | 0 | 0 | 115.4 | ||||
| 558 | S | 34.5 | Very low | 35.1 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | cis | -133.7 | 135.5 | -4.6 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 559 | F | 38.4 | Very low | 34.8 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 31.1 | 143.2 | 143.3 | -68.2 | -95.3 | 0 | 0 | 0 | 121.6 | ||||
| 560 | S | 34.1 | Very low | 34.7 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | 179.3 | -179.5 | 4.5 | 41.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 561 | T | 33.5 | Very low | 34.7 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | 177.6 | 168.5 | -37 | -63.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 562 | V | 30.6 | Very low | 34.3 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | 97.3 | 155.2 | 163.5 | -167.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 563 | T | 31.3 | Very low | 34.1 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -126.2 | 157.1 | -150.2 | 51 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 564 | G | 25.7 | Very low | 34.7 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -164.9 | 127.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 565 | S | 27.9 | Very low | 34.3 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -42.6 | 154 | 178 | -43.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 566 | T | 24.3 | Very low | 34.1 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 60.6 | 136.9 | 130.3 | 56 | 0 | 0 | 0 | 0 | 125 | ||||
| 567 | E | 25.2 | Very low | 33.6 | Very low | 168 Ų | 168 | 119.9 Ų | 119.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 78.5 | 123.5 | 134.8 | -76.5 | -179.3 | -135.7 | 0 | 0 | 123.8 | ||||
| 568 | T | 23.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | 43.8 | 112.2 | 119.4 | -41.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 569 | S | 26.2 | Very low | 31.6 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 166.9 | 146.5 | 112.2 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 570 | S | 35.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -94.9 | 152.2 | 146.3 | -50.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 571 | P | 47 | Very low | 31 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -155 | 163.1 | 100.5 | 39.3 | -22 | 0 | 0 | 0 | 117.7 | |||||
| 572 | A | 27.2 | Very low | 30.9 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 67 | 140.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 573 | S | 34.1 | Very low | 31 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -78.6 | -172.2 | 162.5 | -2.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 574 | P | 56.2 | Low | 30.9 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -114.5 | -146.1 | -3.6 | 34.5 | -14.6 | 0 | 0 | 0 | 111.9 | ||||
| 575 | V | 29.2 | Very low | 31.1 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | -157 | 160.5 | 65.4 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 576 | D | 28.4 | Very low | 31.1 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -92.6 | 168 | -176.6 | -174.4 | 22.7 | 0 | 0 | 0 | 114.2 | ||||
| 577 | G | 28.8 | Very low | 31.3 | Very low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 90 | 147.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 578 | G | 27.9 | Very low | 31.6 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | -169 | 136.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 579 | F | 27.7 | Very low | 33.2 | Very low | 190 Ų | 190 | 127.2 Ų | 127.2 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | 89.9 | 140.3 | 89.7 | -158.5 | -106.7 | 0 | 0 | 0 | 113 | |||||
| 580 | T | 30.8 | Very low | 33.4 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | trans | 65 | 149.5 | 176.3 | 51.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 581 | R | 30.8 | Very low | 33 | Very low | 217 Ų | 217 | 126.7 Ų | 126.7 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | cis | -172.4 | 128.7 | -18.7 | 167.4 | 176.8 | -176.6 | 161.7 | 0.6 | 112.1 | ||||
| 582 | G | 29.7 | Very low | 32.2 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 70.3 | 177.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 583 | Q | 33.5 | Very low | 32.4 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | -155.9 | 142.4 | -13.1 | -143 | 177.6 | -69.9 | 0 | 0 | 110.8 | ||||
| 584 | T | 29 | Very low | 32.3 | Very low | 114 Ų | 114 | 127 Ų | 127 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 20.8 | 121.6 | 154.2 | 53.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 585 | T | 30.2 | Very low | 30.8 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 95% | 0.945 | 78% | 0.777 | S | S | * | * | -145.3 | 155.1 | 120.7 | 19.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 586 | D | 28.1 | Very low | 30.9 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -112.3 | -173.6 | -174.1 | -171 | 11 | 0 | 0 | 0 | 110.1 | ||||
| 587 | M | 27.3 | Very low | 30.9 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 89.3 | 105.8 | 161.9 | -56.8 | 177.3 | 60.2 | 0 | 0 | 119.3 | ||||
| 588 | S | 31.8 | Very low | 30.8 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -64.4 | -170.2 | 142.7 | -37.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 589 | P | 58.1 | Low | 31 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | -141.1 | -169 | -3.7 | 40.5 | -19.6 | 0 | 0 | 0 | 115.9 | ||||
| 590 | A | 29.2 | Very low | 31.4 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | 84.7 | 117.9 | 135.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 591 | V | 28.4 | Very low | 31.3 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | 81 | 100.2 | 125.5 | -179.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 592 | S | 30.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 49.5 | 122.8 | 123.7 | -45.9 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 593 | T | 30.1 | Very low | 31.4 | Very low | 148 Ų | 148 | 131 Ų | 131 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | 164.8 | 158.5 | 129.8 | 32 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 594 | A | 32.2 | Very low | 31.3 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | cis | -171.9 | -175.3 | -25.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 595 | T | 26 | Very low | 31.4 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 98.2 | 105.6 | 159.8 | -44.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 596 | E | 30.5 | Very low | 31.2 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 30.3 | 161.3 | 127.9 | -63.6 | -173.9 | 178 | 0 | 0 | 124.1 | |||||
| 597 | L | 28.1 | Very low | 31.3 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | cis | -176.4 | -174 | -32.2 | -152.4 | 104.3 | 0 | 0 | 0 | 108.9 | ||||
| 598 | S | 27.5 | Very low | 31.3 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 66.8 | 126.9 | 173.7 | 59.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 599 | S | 32.4 | Very low | 31.2 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | 85.4 | 151.1 | 50.6 | 91.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 600 | S | 34.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | -122.7 | -141.1 | 10.6 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 601 | D | 29.6 | Very low | 31.8 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | cis | -159.6 | -178.5 | 2.3 | -140.3 | -54.9 | 0 | 0 | 0 | 111.9 | ||||
| 602 | N | 33.7 | Very low | 31.8 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -117.1 | 167.5 | -166.6 | -80.5 | -34.2 | 0 | 0 | 0 | 115.4 | ||||
| 603 | I | 28.6 | Very low | 31.8 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -167.4 | 157.4 | 133.5 | -98.1 | 153.9 | 0 | 0 | 0 | 108.8 | ||||
| 604 | S | 30.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -138.6 | -176.4 | -158.9 | 54.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 605 | E | 32.5 | Very low | 31.5 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 106.6 | 152.8 | 158 | -60.2 | -139.9 | 85.8 | 0 | 0 | 120.1 | ||||
| 606 | T | 26.3 | Very low | 31.6 | Very low | 96 Ų | 96 | 141 Ų | 141 | 59% | 0.589 | 79% | 0.792 | S | S | * | * | cis | -167.5 | 168.8 | -32.3 | -69.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 607 | T | 28.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 99.7 | 165.5 | 158.9 | 73.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 608 | Q | 28.6 | Very low | 31.2 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -145.8 | 146.2 | -163.1 | -60 | 173.2 | -29.3 | 0 | 0 | 113.6 | ||||
| 609 | S | 28.9 | Very low | 31.2 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 60.4 | 178 | 153.1 | -117.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 610 | P | 56.8 | Low | 31.3 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | cis | -129.5 | -156 | -14 | 41 | -22.3 | 0 | 0 | 0 | 113.9 | ||||
| 611 | E | 42.6 | Very low | 31.9 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 166.4 | -176.1 | -47.5 | 172.7 | 118.7 | 0 | 0 | 116.3 | ||||
| 612 | T | 30.1 | Very low | 31.8 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 93% | 0.933 | 79% | 0.794 | S | S | * | * | trans | -166.4 | 173.4 | 137.1 | 5.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 613 | M | 30.3 | Very low | 31.4 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -118.4 | 167.9 | -158.2 | -59.1 | -177.3 | 171.7 | 0 | 0 | 117.9 | ||||
| 614 | A | 29.3 | Very low | 31.3 | Very low | 88 Ų | 88 | 138 Ų | 138 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 96.5 | 134.7 | 132.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 615 | I | 25.4 | Very low | 31.1 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | -174.8 | 161 | 110.7 | -90.6 | 160.1 | 0 | 0 | 0 | 110 | |||||
| 616 | Q | 28.6 | Very low | 30.9 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -110.8 | 176.3 | -172.4 | -65.6 | -177.2 | -27.3 | 0 | 0 | 113.7 | ||||
| 617 | I | 26.8 | Very low | 30.9 | Very low | 143 Ų | 143 | 137 Ų | 137 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | 160.6 | 130.4 | 118.1 | -82.7 | 158.8 | 0 | 0 | 0 | 114.3 | |||||
| 618 | S | 23.4 | Very low | 30.9 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | 63.7 | 158.5 | 154.9 | 74.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 619 | T | 27.2 | Very low | 30.8 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | cis | -163.3 | 162.6 | -20.4 | 22.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 620 | D | 35.4 | Very low | 30.7 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -66.4 | 170.9 | 172.2 | -43.4 | -90.1 | 0 | 0 | 0 | 113.9 | ||||
| 621 | P | 46.3 | Very low | 29.2 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | -152.2 | 149.7 | 95.1 | 37.3 | -18.8 | 0 | 0 | 0 | 118.5 | |||||
| 622 | E | 27.2 | Very low | 29.1 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 62.3 | 163.5 | 136.7 | -65.3 | -167.8 | 141.9 | 0 | 0 | 122.6 | ||||
| 623 | T | 26.9 | Very low | 28.9 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | cis | -170.7 | 166.1 | -31.1 | -83.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 624 | S | 25.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 81.7 | 152.3 | 164.8 | 77.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 625 | G | 27.3 | Very low | 28.7 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 146.2 | 150.4 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 626 | E | 26.8 | Very low | 28.8 | Very low | 208 Ų | 208 | 129.5 Ų | 129.5 | 97% | 0.972 | 77% | 0.774 | S | S | * | * | trans | 65.2 | 162.3 | 172.2 | -54.5 | -168.2 | 158.9 | 0 | 0 | 116.2 | ||||
| 627 | G | 26.6 | Very low | 28.8 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | cis | -176.9 | 146.2 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 628 | S | 28.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -69.7 | 142.6 | -169 | -48.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 629 | T | 26.4 | Very low | 30.3 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -161.3 | 160.4 | 141.3 | 36.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 630 | A | 27.1 | Very low | 30.4 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | cis | 177.2 | 160.7 | -26.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 631 | F | 24.9 | Very low | 30.3 | Very low | 190 Ų | 190 | 124.6 Ų | 124.6 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | trans | -53.4 | 159.5 | 179.7 | -79.7 | -74.8 | 0 | 0 | 0 | 115.7 | A633 | F631-A633 HydrophobicContact CD1-CB 3.92Š| ||
| 632 | P | 42.5 | Very low | 29.5 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | cis | -116.4 | 159.7 | 37.8 | 14.3 | 9.6 | 0 | 0 | 0 | 115.1 | ||||
| 633 | A | 25.1 | Very low | 29.6 | Very low | 65 Ų | 65 | 124 Ų | 124 | 54% | 0.537 | 75% | 0.75 | S | S | . | * | cis | 80.9 | 102.3 | 29.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | F631 | F631-A633 HydrophobicContact CD1-CB 3.92Š| ||
| 634 | F | 27.6 | Very low | 30 | Very low | 217 Ų | 217 | 123.6 Ų | 123.6 | 95% | 0.952 | 75% | 0.748 | S | S | * | * | trans | -159.3 | 147.1 | 139 | -113 | -75.2 | 0 | 0 | 0 | 110.7 | ||||
| 635 | A | 27.4 | Very low | 31.4 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | trans | -79.4 | 168.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 636 | D | 28 | Very low | 31.6 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | -171.5 | 161.8 | 60.3 | -149.8 | 16 | 0 | 0 | 0 | 106.5 | |||||
| 637 | K | 27.6 | Very low | 32.9 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | cis | -158.2 | 150.8 | 12.1 | -165 | 167.7 | -145.1 | 67.3 | 0 | 110 | ||||
| 638 | S | 48.7 | Very low | 33.2 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -144 | 126.1 | 168.6 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 639 | D | 34.6 | Very low | 33.4 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | trans | -167.4 | 162.5 | 178.5 | -103 | -45 | 0 | 0 | 0 | 108.9 | T641 | D639-T641 WeakPolarHBondContact OD1-CB 3.36Å; D639-T641 WeakPolarHBondContact OD1-CG2 3Å; D639-T641 PolarHBondContact OD1-OG1 3.39Å | ||
| 640 | V | 29.5 | Very low | 33.6 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | cis | -128.1 | 127.9 | 12.6 | -166 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 641 | T | 32.1 | Very low | 33.8 | Very low | 97 Ų | 97 | 125 Ų | 125 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | cis | 68.8 | 160.6 | 49 | 71.5 | 0 | 0 | 0 | 0 | 113.1 | D639 | D639-T641 WeakPolarHBondContact OD1-CB 3.36Å; D639-T641 WeakPolarHBondContact OD1-CG2 3Å; D639-T641 PolarHBondContact OD1-OG1 3.39Å | ||
| 642 | I | 30.2 | Very low | 34 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | cis | -134.5 | -148 | 13.2 | -22.5 | 176.5 | 0 | 0 | 0 | 110.3 | T644 | I642-T644 HydrophobicContact CG2-CG2 4.29Š| ||
| 643 | V | 28.1 | Very low | 33.5 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | trans | 72.8 | 110.9 | -178.5 | -171.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 644 | T | 35.5 | Very low | 33.7 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 63% | 0.632 | 75% | 0.753 | S | S | * | * | cis | 87 | 147.6 | 15.1 | 87.7 | 0 | 0 | 0 | 0 | 116.9 | I642 | I642-T644 HydrophobicContact CG2-CG2 4.29Š| ||
| 645 | P | 55.8 | Low | 33.9 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | cis | -135 | 144 | 7 | 36.5 | -17.2 | 0 | 0 | 0 | 118.9 | ||||
| 646 | F | 31.8 | Very low | 33.8 | Very low | 187 Ų | 187 | 125.6 Ų | 125.6 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | trans | 52.1 | 168.5 | 139.4 | -75.7 | -82.8 | 0 | 0 | 0 | 122.5 | ||||
| 647 | P | 54.2 | Low | 33.8 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | cis | -125.4 | -164.2 | -8.1 | 28.5 | -4.7 | 0 | 0 | 0 | 115.3 | ||||
| 648 | T | 31.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -126.4 | 150.7 | -159.1 | 50.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 649 | S | 33.4 | Very low | 34.1 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 46.6 | 137.7 | 139.3 | 68.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 650 | A | 31.5 | Very low | 34.2 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | -170.1 | 159.9 | 128.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 651 | A | 30 | Very low | 34.2 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | -53 | 163 | -176.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 652 | S | 28.7 | Very low | 34 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | -176.4 | -179.3 | 69 | 44.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 653 | D | 33.2 | Very low | 33.9 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -67.6 | 170.2 | -173.3 | -49.5 | -100.8 | 0 | 0 | 0 | 116.7 | ||||
| 654 | G | 29.7 | Very low | 33.9 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 163.9 | 73.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 655 | K | 30.7 | Very low | 33.7 | Very low | 209 Ų | 209 | 130.5 Ų | 130.5 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -97 | 100.7 | -177.8 | 177.3 | -173.5 | 178.4 | 177.7 | 0 | 113.2 | ||||
| 656 | T | 26.1 | Very low | 32.7 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -159.3 | 135.9 | 165.5 | 6 | 0 | 0 | 0 | 0 | 117 | ||||
| 657 | M | 26.4 | Very low | 33.4 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | 38.7 | 141.7 | 139.3 | -73.5 | 176.6 | 165.8 | 0 | 0 | 124.3 | ||||
| 658 | S | 44.2 | Very low | 32.4 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -82 | 142.5 | 158.3 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 659 | P | 39.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -132.1 | 154.4 | 133 | 36.8 | -26.9 | 0 | 0 | 0 | 111.7 | ||||
| 660 | S | 37.3 | Very low | 32.1 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | 80 | 80.3 | 16.3 | -52 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 661 | M | 28.9 | Very low | 31.9 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | trans | -153 | 133.3 | 144.3 | -81 | -57.2 | -173.1 | 0 | 0 | 106.3 | ||||
| 662 | L | 27.8 | Very low | 31.6 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 59.9 | 135.4 | 60.1 | -67.1 | 166.5 | 0 | 0 | 0 | 112.9 | |||||
| 663 | S | 28.2 | Very low | 31.7 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -173.6 | 158 | -12.7 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 664 | L | 28.3 | Very low | 31.6 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 150.4 | 141.3 | 130.3 | -80.8 | 167.6 | 0 | 0 | 0 | 116.7 | ||||
| 665 | I | 30.2 | Very low | 31.4 | Very low | 147 Ų | 147 | 135 Ų | 135 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 71.2 | 118.8 | 146.1 | -66.1 | 161.3 | 0 | 0 | 0 | 119.9 | ||||
| 666 | T | 36.2 | Very low | 31.6 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -91.4 | 160.5 | 158 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 667 | P | 44.9 | Very low | 31.6 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | -119.9 | 149.7 | 144.9 | 36.3 | -28.7 | 0 | 0 | 0 | 113.5 | ||||
| 668 | S | 33.9 | Very low | 32.3 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -89.6 | -169.9 | 165.9 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 669 | V | 31.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 66% | 0.655 | 73% | 0.732 | S | S | * | * | cis | -163.7 | -178.7 | 18.6 | -115.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 670 | F | 26.4 | Very low | 30.9 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | trans | 73.4 | 152.6 | 165.1 | -70.2 | -95.1 | 0 | 0 | 0 | 117.6 | ||||
| 671 | N | 27.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | cis | -170.5 | 168.6 | -29.2 | -171.2 | 25.1 | 0 | 0 | 0 | 110.5 | ||||
| 672 | M | 24 | Very low | 30.5 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | 36.6 | 101.7 | 156.3 | -84.8 | -166.4 | 74.4 | 0 | 0 | 120 | ||||
| 673 | S | 30.8 | Very low | 30.5 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 52% | 0.524 | 73% | 0.726 | S | S | . | * | 20 | 118.1 | 116 | 63.7 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 674 | F | 32.1 | Very low | 30.4 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -122.5 | 127.7 | 131.7 | -92.9 | -95.3 | 0 | 0 | 0 | 105.7 | ||||
| 675 | L | 25.8 | Very low | 30.3 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | 57.5 | 116.2 | 53.4 | -57.9 | 173.2 | 0 | 0 | 0 | 110.4 | |||||
| 676 | T | 34.5 | Very low | 30.1 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | cis | -121.4 | 146.8 | 44.7 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 677 | S | 25.9 | Very low | 29.9 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | 66.5 | 131.4 | 52.7 | -160.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 678 | R | 40.7 | Very low | 29.1 | Very low | 229 Ų | 229 | 135.9 Ų | 135.9 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | cis | -126.2 | 148.9 | 29.5 | -66.2 | 168 | -176.2 | 178.4 | 0.4 | 111.2 | ||||
| 679 | K | 25.7 | Very low | 29 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | 62.3 | 139.2 | 57.5 | -87.3 | -160.9 | 172.3 | -158.8 | 0 | 113.1 | |||||
| 680 | A | 29.5 | Very low | 28.9 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | cis | -152.9 | 142.7 | -0.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 681 | E | 30 | Very low | 29 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | 49 | 105.2 | 78.2 | 177.8 | -171.9 | -118.9 | 0 | 0 | 113.4 | |||||
| 682 | T | 26.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | -175.8 | 137.2 | 149.1 | 22 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 683 | I | 28.8 | Very low | 29.5 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | trans | 68.1 | 148.2 | 137.3 | -68.8 | 167.2 | 0 | 0 | 0 | 119.2 | ||||
| 684 | D | 26.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | cis | -174.1 | 172.5 | -27.6 | -166 | 9.7 | 0 | 0 | 0 | 108.4 | ||||
| 685 | T | 26.4 | Very low | 29.4 | Very low | 102 Ų | 102 | 131 Ų | 131 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | 41 | 106 | 154.8 | 49 | 0 | 0 | 0 | 0 | 120 | ||||
| 686 | S | 26.6 | Very low | 30 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | 21.3 | 126.7 | 122.8 | 61.2 | 0 | 0 | 0 | 0 | 120 | |||||
| 687 | K | 31.8 | Very low | 30.8 | Very low | 208 Ų | 208 | 130 Ų | 130 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | trans | -150.1 | 114.8 | 142.8 | -123.5 | 164.7 | -170.4 | 168.6 | 0 | 113.4 | ||||
| 688 | T | 27.6 | Very low | 31.1 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | -100.5 | 126.8 | 177 | -40.8 | 0 | 0 | 0 | 0 | 109.8 | V690 | T688-V690 HydrophobicContact CG2-CG2 4.42Š| ||
| 689 | V | 31.3 | Very low | 30.9 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -142 | 108.4 | 167.6 | -175.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 690 | V | 28.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 65% | 0.648 | 75% | 0.748 | S | S | * | * | cis | 86.5 | 97 | 42.8 | -176.7 | 0 | 0 | 0 | 0 | 113.6 | T688 L692 | T688-V690 HydrophobicContact CG2-CG2 4.42Å; V690-L692 HydrophobicContact CG1-CG 4.4Å | ||
| 691 | S | 28.3 | Very low | 31.6 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -162.4 | 98.6 | 145.3 | -174.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 692 | L | 31.2 | Very low | 31.5 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | 62.7 | 117 | 84 | -62.7 | 167.2 | 0 | 0 | 0 | 112.5 | V690 | V690-L692 HydrophobicContact CG1-CG 4.4Š| |||
| 693 | G | 31.5 | Very low | 31.5 | Very low | 63 Ų | 63 | 127.8 Ų | 127.8 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | cis | 169.4 | -175.5 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 694 | V | 31.2 | Very low | 31.2 | Very low | 151 Ų | 151 | 128 Ų | 128 | 92% | 0.915 | 74% | 0.744 | S | S | * | * | trans | 73.9 | 132.3 | 171.6 | -169.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 695 | S | 30.4 | Very low | 32.6 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | -149.8 | 164.8 | -1.4 | 44.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 696 | T | 37.7 | Very low | 32.6 | Very low | 126 Ų | 126 | 127 Ų | 127 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -37.4 | 158.7 | 163.2 | 49.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 697 | P | 50.8 | Low | 32.7 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | cis | -129.3 | -157.7 | 21 | 42.2 | -23.2 | 0 | 0 | 0 | 112.8 | ||||
| 698 | L | 31.7 | Very low | 32.4 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | cis | -144.8 | -121.7 | 4.4 | -167.2 | 43.3 | 0 | 0 | 0 | 113.3 | ||||
| 699 | Q | 36.8 | Very low | 32.5 | Very low | 171 Ų | 171 | 124.1 Ų | 124.1 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | trans | -159.7 | 158.9 | -159.1 | -74.4 | 173.6 | 4 | 0 | 0 | 109.8 | ||||
| 700 | S | 36.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | cis | -167 | -164.2 | -13.6 | 55.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 701 | K | 33.4 | Very low | 32.4 | Very low | 173 Ų | 173 | 125 Ų | 125 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | cis | -162.9 | 177.4 | 11.4 | -144.9 | -147 | 168.1 | -159.4 | 0 | 112.9 | ||||
| 702 | T | 28.3 | Very low | 32.4 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | trans | -18.1 | 137.4 | 159.7 | -49.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 703 | T | 26.7 | Very low | 32.2 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | 97.4 | 112.9 | 13.1 | -45.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 704 | M | 22.8 | Very low | 32 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | trans | 73.3 | 164.1 | 148.9 | -76.9 | -64 | -106.3 | 0 | 0 | 121.4 | ||||
| 705 | P | 54.7 | Low | 31.9 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 60% | 0.597 | 73% | 0.734 | S | S | * | * | cis | -143.2 | 178.6 | -17.4 | 37.5 | -16.9 | 0 | 0 | 0 | 117.7 | ||||
| 706 | T | 26.6 | Very low | 33.1 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 30.2 | 156.1 | 137.3 | 65.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 707 | V | 28 | Very low | 32.6 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | cis | -174.7 | 179.6 | -2.8 | 134.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 708 | T | 25.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 68.1 | 151.5 | 163.3 | 40.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 709 | D | 30.6 | Very low | 31.2 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | cis | -165 | -178.2 | -30 | -138.2 | -42.1 | 0 | 0 | 0 | 110.9 | ||||
| 710 | E | 29.7 | Very low | 30.7 | Very low | 162 Ų | 162 | 127 Ų | 127 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | trans | 54.1 | 109.4 | 150.4 | -70.3 | -167.6 | 130.6 | 0 | 0 | 122.7 | ||||
| 711 | S | 28 | Very low | 30.3 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | 89.6 | 122.3 | 119.2 | 79.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 712 | Q | 28 | Very low | 30.2 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | 61.7 | 119.2 | 126.8 | -61.3 | -174.3 | 24.3 | 0 | 0 | 123.9 | |||||
| 713 | N | 27.1 | Very low | 30.2 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | 70.6 | 91.6 | 128.2 | -62.1 | -6.5 | 0 | 0 | 0 | 122.6 | |||||
| 714 | A | 27.6 | Very low | 30.3 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | 78.6 | 123.4 | 106.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 715 | M | 28.3 | Very low | 30.5 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | 72.9 | 163 | 138.4 | -85.3 | 169.8 | 59.7 | 0 | 0 | 120.1 | ||||
| 716 | P | 56.9 | Low | 29.2 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -130.4 | 166 | -17.8 | 29.5 | -10.2 | 0 | 0 | 0 | 114.7 | ||||
| 717 | Q | 26.1 | Very low | 29.2 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | 158.8 | 176.8 | 123.4 | -83.7 | -166.9 | -7.4 | 0 | 0 | 112.5 | |||||
| 718 | T | 26.9 | Very low | 29.4 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -127.4 | 143 | -149.1 | 48.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 719 | A | 27.1 | Very low | 29.6 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | trans | 76.1 | 161.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 720 | S | 25.2 | Very low | 29.5 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 64.6 | 113.7 | 167.9 | 44.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 721 | E | 28.2 | Very low | 29.4 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -83.4 | 154.6 | 159.6 | -58.5 | 171.5 | 113.4 | 0 | 0 | 110.6 | ||||
| 722 | S | 32.1 | Very low | 29.4 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -172.4 | 151.9 | 132.2 | 28.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 723 | D | 27.5 | Very low | 29.3 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | 53.7 | 122.5 | 175.7 | -63.7 | -15.8 | 0 | 0 | 0 | 119 | ||||
| 724 | G | 30.5 | Very low | 29.2 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | cis | 164.5 | 174.5 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 725 | V | 25.7 | Very low | 29.3 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | 70.8 | 161 | 175.6 | -165.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 726 | V | 26.9 | Very low | 29.4 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 91.2 | 111.9 | 169.6 | -172.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 727 | S | 28.3 | Very low | 28.1 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 70.5 | 139.5 | 157 | -63.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 728 | L | 31 | Very low | 28.4 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | cis | -158.9 | 141 | -8.2 | -106.4 | 163.9 | 0 | 0 | 0 | 109.5 | ||||
| 729 | I | 30.7 | Very low | 28.6 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | 20.9 | 128 | 147.2 | -59.1 | 170.9 | 0 | 0 | 0 | 117.6 | ||||
| 730 | S | 28.6 | Very low | 28.7 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -151.7 | 151.9 | 37.6 | -163.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 731 | M | 27.9 | Very low | 28.9 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | cis | 70.7 | 145.6 | 37.9 | -76.9 | -129.2 | 157.8 | 0 | 0 | 116.8 | ||||
| 732 | T | 26.2 | Very low | 28.8 | Very low | 134 Ų | 134 | 128 Ų | 128 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -107.5 | 160.2 | -151.1 | 49 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 733 | S | 27.3 | Very low | 28.8 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 44.1 | 101.9 | 145.9 | 174.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 734 | S | 25.3 | Very low | 28.7 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -153.3 | 124.2 | 144.9 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 735 | T | 28.9 | Very low | 28.5 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 47.2 | 130.2 | 139.6 | 53.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 736 | K | 29.3 | Very low | 28.5 | Very low | 186 Ų | 186 | 126 Ų | 126 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | 63.1 | 136.8 | 67.6 | -88.2 | -176.4 | 174.3 | 169.8 | 0 | 114.4 | |||||
| 737 | T | 30.6 | Very low | 28.5 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | cis | -152.8 | -122.6 | -17 | 8.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 738 | K | 33.3 | Very low | 28.6 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | cis | -170.2 | 163.3 | 0.1 | -149.7 | -164.3 | 170.8 | -173.1 | 0 | 112.3 | ||||
| 739 | V | 29.4 | Very low | 28.4 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | 78.3 | 127.8 | 154.3 | 157 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 740 | S | 29.1 | Very low | 28.2 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | cis | -168.9 | 164.4 | -13 | -98.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 741 | S | 29.3 | Very low | 28 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 68.7 | 146.3 | 141.3 | 57.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 742 | V | 27.8 | Very low | 28 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | cis | -159 | 176 | -4.6 | 119.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 743 | T | 30.3 | Very low | 28.1 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -32.7 | 158.3 | 173.9 | 61.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 744 | G | 26.6 | Very low | 29 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | 151.2 | 168.2 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 745 | V | 25.8 | Very low | 29.1 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | 26.5 | 136.3 | 160 | -172.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 746 | S | 25.9 | Very low | 29.1 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 77.3 | 151.7 | 162.3 | -83.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 747 | S | 27.4 | Very low | 29 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -169.6 | 153 | -11 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 748 | K | 29.9 | Very low | 28.9 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 60.2 | 128.4 | 137.2 | -77.8 | -174.1 | 166 | -175.5 | 0 | 123.3 | ||||
| 749 | L | 26.7 | Very low | 28.8 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 82.2 | 113.3 | 131 | -95 | 78.7 | 0 | 0 | 0 | 123.9 | ||||
| 750 | V | 27 | Very low | 28.6 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | 78.7 | 124 | 111.6 | 162.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 751 | S | 24.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 69.5 | 157.4 | 151.2 | -139.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 752 | S | 27.8 | Very low | 28.7 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -145.4 | 158.1 | 8 | -51.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 753 | N | 28.1 | Very low | 28.8 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -87.2 | 155.7 | 156.8 | -136.4 | 5.2 | 0 | 0 | 0 | 108.9 | ||||
| 754 | P | 46.5 | Very low | 28.8 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | -159.6 | -176.7 | 99.7 | 40.4 | -20.3 | 0 | 0 | 0 | 117.7 | |||||
| 755 | T | 27.1 | Very low | 28.8 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | 77.7 | 155.4 | 156 | 33.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 756 | L | 29.1 | Very low | 28.8 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -163.9 | 123.5 | -150.3 | -157.6 | 179.9 | 0 | 0 | 0 | 111.2 | ||||
| 757 | K | 26.6 | Very low | 29 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | 169.1 | 128 | 151.5 | -103.5 | 177.4 | -179.1 | -174.3 | 0 | 112.1 | ||||
| 758 | D | 28.5 | Very low | 28.8 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | 167.3 | 140.1 | 113.3 | -94.1 | -14.2 | 0 | 0 | 0 | 114.5 | |||||
| 759 | T | 31.1 | Very low | 28.8 | Very low | 142 Ų | 142 | 134 Ų | 134 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | trans | 59.5 | 154.6 | 158.6 | 58.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 760 | S | 25 | Very low | 28.8 | Very low | 85 Ų | 85 | 135 Ų | 135 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | -145.4 | 124.4 | -174.7 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | Y765 | S760-Y765 WeakPolarHBondContact CB-OH 3.29Š| ||
| 761 | A | 28.4 | Very low | 28.9 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -168.6 | 122.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 762 | S | 32.8 | Very low | 29.1 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 45 | 126.4 | 157.8 | -56.6 | 0 | 0 | 0 | 0 | 120.5 | D764 | S762-D764 WeakPolarHBondContact CA-OD1 3.41Å; S762-D764 WeakPolarHBondContact CA-OD2 3.31Å; S762-D764 WeakPolarHBondContact CB-OD2 3.24Å; S762-D764 PolarHBondContact N-OD1 2.67Å; S762-D764 PolarHBondContact N-OD2 3.05Å; S762-D764 PolarHBondContact OG-OD2 3.12Å |
| 763 | S | 30.1 | Very low | 29 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 92% | 0.923 | 75% | 0.75 | S | S | * | * | S | Bend | cis | -97.1 | 133.3 | 16.7 | -54.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 764 | D | 31 | Very low | 29.1 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 54% | 0.535 | 75% | 0.745 | S | S | . | * | trans | -110 | 149.3 | -157.3 | -52.2 | -68.2 | 0 | 0 | 0 | 113.8 | S762 | S762-D764 WeakPolarHBondContact CA-OD1 3.41Å; S762-D764 WeakPolarHBondContact CA-OD2 3.31Å; S762-D764 WeakPolarHBondContact CB-OD2 3.24Å; S762-D764 PolarHBondContact N-OD1 2.67Å; S762-D764 PolarHBondContact N-OD2 3.05Å; S762-D764 PolarHBondContact OG-OD2 3.12Å | ||
| 765 | Y | 26.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 134 Ų | 134 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | cis | -159.9 | 120.8 | -4.4 | -137.8 | -117.6 | 0 | 0 | 0 | 114.1 | S760 | S760-Y765 WeakPolarHBondContact CB-OH 3.29Š| ||
| 766 | I | 24.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 60% | 0.6 | 74% | 0.744 | S | S | * | * | trans | 50.7 | 103.3 | 132.8 | -56.4 | -171.1 | 0 | 0 | 0 | 124 | ||||
| 767 | I | 29.8 | Very low | 28.6 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | 57.1 | 134.5 | 115 | -56.4 | 165.6 | 0 | 0 | 0 | 124.4 | |||||
| 768 | K | 23.3 | Very low | 28.5 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | trans | 95.8 | 153.1 | 147.1 | -96.5 | 168.6 | -172.5 | 176.3 | 0 | 124.1 | ||||
| 769 | F | 30.7 | Very low | 28.5 | Very low | 192 Ų | 192 | 126.2 Ų | 126.2 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | trans | -58.8 | 163.9 | 159.8 | -69.6 | -107.2 | 0 | 0 | 0 | 111.3 | ||||
| 770 | H | 27 | Very low | 28.5 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | cis | -163.2 | 157.3 | 29.5 | -148.2 | -75.8 | 0 | 0 | 0 | 111.7 | ||||
| 771 | S | 28.5 | Very low | 28.8 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | trans | 61.1 | 134.3 | 155.6 | -78 | 0 | 0 | 0 | 0 | 124 | ||||
| 772 | T | 28 | Very low | 28.9 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | 59.7 | 116.7 | 141.7 | 57.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 773 | V | 26.5 | Very low | 28.9 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | 167.9 | 137 | 112.2 | 155.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 774 | S | 29.9 | Very low | 28.9 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -73 | 158.2 | 175.7 | -39.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 775 | P | 41.6 | Very low | 29 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | -159.8 | 160.8 | 90.4 | 42 | -22.5 | 0 | 0 | 0 | 119.1 | |||||
| 776 | V | 24.3 | Very low | 29 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | 54.1 | 107.4 | 132.1 | 179.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 777 | V | 25.8 | Very low | 29.2 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | 58.5 | 143.4 | 124.7 | -167.4 | 0 | 0 | 0 | 0 | 123 | |||||
| 778 | T | 25 | Very low | 29.3 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | 97.7 | 128.2 | 152.1 | 14.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 779 | A | 28.9 | Very low | 29.9 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | trans | 82.2 | 92.8 | 131.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 780 | Q | 31 | Very low | 29.9 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | 63.6 | 140.2 | 113.4 | -97.7 | -170.3 | 1.1 | 0 | 0 | 124.6 | |||||
| 781 | K | 30.9 | Very low | 29.9 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 77.3 | 154.6 | 147.6 | -71.9 | 171.7 | -178.4 | 172.6 | 0 | 120.2 | ||||
| 782 | S | 30.2 | Very low | 30.1 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | -176.6 | 140.2 | -32.4 | 54.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 783 | F | 32.1 | Very low | 30.2 | Very low | 177 Ų | 177 | 137 Ų | 137 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 75 | 164 | 139.7 | -105.4 | -102.4 | 0 | 0 | 0 | 124.9 | ||||
| 784 | E | 31.1 | Very low | 30.5 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | 72.5 | 146.9 | 165.1 | -89.3 | 148.3 | -141.6 | 0 | 0 | 120.8 | ||||
| 785 | Q | 33.3 | Very low | 30.6 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | cis | 157.9 | 122.9 | -44.1 | 172.2 | 176.5 | -13.8 | 0 | 0 | 109.9 | ||||
| 786 | V | 27.2 | Very low | 31 | Very low | 141 Ų | 141 | 139 Ų | 139 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | trans | -136.8 | -174.3 | 171.8 | -161.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 787 | R | 28.7 | Very low | 31.2 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | -162.2 | 154.9 | -123.3 | -171.9 | -179.9 | 178.2 | 161.9 | 5.2 | 113.7 | E789 | R787-E789 IonicContact CZ-OE2 2.68Å; R787-E789 IonicContact NE-OE2 2.66Å; R787-E789 PolarHBondContact NE-OE2 2.82Å; R787-E789 IonicContact NH2-OE1 2.7Å; R787-E789 IonicContact NH2-OE2 3.01Å; R787-E789 PolarHBondContact NH2-OE2 3.17Å | |||
| 788 | S | 32.1 | Very low | 32.3 | Very low | 74 Ų | 74 | 142 Ų | 142 | 52% | 0.517 | 74% | 0.741 | S | S | . | * | cis | -175.2 | 171.3 | -37.4 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 789 | E | 34.1 | Very low | 32.4 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 65% | 0.654 | 74% | 0.744 | S | S | * | * | trans | 73.7 | 171.6 | 153.3 | -65.2 | 156.9 | 137.1 | 0 | 0 | 121.3 | R787 | R787-E789 IonicContact CZ-OE2 2.68Å; R787-E789 IonicContact NE-OE2 2.66Å; R787-E789 PolarHBondContact NE-OE2 2.82Å; R787-E789 IonicContact NH2-OE1 2.7Å; R787-E789 IonicContact NH2-OE2 3.01Å; R787-E789 PolarHBondContact NH2-OE2 3.17Å | ||
| 790 | I | 31.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | 83.1 | 124.9 | 161 | -56.4 | -173.7 | 0 | 0 | 0 | 115.4 | ||||
| 791 | T | 27.9 | Very low | 32.3 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | cis | -151.2 | 173.4 | 5.6 | -5.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 792 | N | 31.5 | Very low | 32.1 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -98.7 | 157.5 | 170.9 | -108.4 | -38.2 | 0 | 0 | 0 | 113.1 | ||||
| 793 | T | 30.4 | Very low | 32.2 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 177.4 | 129.3 | 134.6 | 20.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 794 | H | 33.1 | Very low | 31.9 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | trans | 51.2 | 159.3 | 132.3 | -67.2 | -9 | 0 | 0 | 0 | 123.4 | ||||
| 795 | H | 31.9 | Very low | 31.7 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | cis | -153.5 | -170.1 | 9.4 | -122 | -17 | 0 | 0 | 0 | 113.1 | ||||
| 796 | P | 49.1 | Very low | 31.5 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 63% | 0.63 | 74% | 0.739 | S | S | * | * | trans | -140 | 177.3 | -140.3 | 45.8 | -25.8 | 0 | 0 | 0 | 120.6 | ||||
| 797 | K | 28.6 | Very low | 31.8 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | trans | 64.3 | 174.9 | 150 | -90.2 | -172.5 | 177.7 | -175 | 0 | 117.8 | ||||
| 798 | P | 49.1 | Very low | 31.7 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | cis | -104.5 | -143.8 | -0.1 | 23.4 | 1.4 | 0 | 0 | 0 | 111.4 | ||||
| 799 | E | 27.5 | Very low | 31.4 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | cis | -142.2 | -175.3 | 7.7 | -72.2 | -168.5 | 117.6 | 0 | 0 | 111.8 | ||||
| 800 | N | 29.8 | Very low | 31 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -167.1 | 118.1 | -176.7 | 173.7 | 59.2 | 0 | 0 | 0 | 112.5 | ||||
| 801 | F | 28.6 | Very low | 30.6 | Very low | 197 Ų | 197 | 142.6 Ų | 142.6 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -167.4 | 165.9 | 173.4 | -115.1 | -88 | 0 | 0 | 0 | 111.4 | ||||
| 802 | S | 26.4 | Very low | 31.4 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | -173.2 | -179.9 | -63.5 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 803 | E | 31.8 | Very low | 31.1 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | trans | 75.6 | 148.4 | 163.3 | -52.3 | -154.1 | 139.6 | 0 | 0 | 118.5 | ||||
| 804 | K | 25.8 | Very low | 30.9 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | cis | -153.4 | 143.6 | -10.4 | -106.7 | 157.1 | -178.1 | 151 | 0 | 105.6 | ||||
| 805 | S | 27.2 | Very low | 30.8 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | 76.5 | 141.6 | 47.5 | -169.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 806 | S | 29.4 | Very low | 30.7 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | 85.6 | 149.4 | 157 | -55.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 807 | Q | 32.3 | Very low | 29.8 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | cis | -167.5 | 143.1 | -34.3 | -146.4 | 171.4 | -6.1 | 0 | 0 | 111.4 | ||||
| 808 | A | 27.8 | Very low | 29.9 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 65% | 0.653 | 74% | 0.735 | S | S | * | * | trans | 40.2 | 148.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 809 | T | 25.3 | Very low | 28.9 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | 69.3 | 118.6 | 150.5 | 31.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 810 | V | 25.7 | Very low | 28.9 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | -176.9 | 143.3 | 104.5 | 149.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 811 | Y | 23.9 | Very low | 28.9 | Very low | 220 Ų | 220 | 139.4 Ų | 139.4 | 86% | 0.863 | 73% | 0.727 | S | S | * | * | trans | -87 | 177.6 | 172.6 | -89.4 | -82.1 | 0 | 0 | 0 | 111.1 | ||||
| 812 | P | 45 | Very low | 28.8 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 62% | 0.623 | 72% | 0.715 | S | S | * | * | cis | -134.9 | -162.4 | -2.8 | 33.1 | -9.8 | 0 | 0 | 0 | 113.6 | ||||
| 813 | M | 24.9 | Very low | 29 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | 72.3 | 159.5 | 151 | -72.3 | -171.5 | -177.1 | 0 | 0 | 119.1 | ||||
| 814 | S | 25.7 | Very low | 28.9 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | cis | -178.1 | 171.8 | -31.2 | -166.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 815 | T | 30.4 | Very low | 29.2 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | trans | 66.5 | 151.2 | 159.6 | 65.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 816 | N | 29.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | cis | -168 | 164.6 | -18.9 | -105.9 | -9.4 | 0 | 0 | 0 | 109.4 | ||||
| 817 | H | 30.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 138 Ų | 138 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | 47.8 | 148.4 | 141.1 | -61.5 | -43.2 | 0 | 0 | 0 | 121.3 | ||||
| 818 | E | 30.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 61% | 0.612 | 73% | 0.725 | S | S | * | * | cis | -154.6 | 179.3 | -2 | -128.5 | 177.2 | 137.4 | 0 | 0 | 114.5 | ||||
| 819 | K | 28.3 | Very low | 29.8 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -48.3 | 165.4 | 168.7 | -41.8 | 132.4 | -172.2 | 159.5 | 0 | 111.4 | ||||
| 820 | R | 27.4 | Very low | 31.1 | Very low | 209 Ų | 209 | 140 Ų | 140 | 79% | 0.789 | 72% | 0.72 | S | S | * | * | cis | 177.9 | 164.3 | 38.9 | -157.2 | -173.5 | 168.7 | 174.5 | -5 | 109.9 | ||||
| 821 | L | 30.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | trans | 73.8 | 142.8 | 163 | -52.4 | 179.8 | 0 | 0 | 0 | 115.5 | ||||
| 822 | V | 27.2 | Very low | 32.1 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 61% | 0.606 | 69% | 0.689 | S | S | * | * | cis | -159 | 151.1 | -5.5 | 98.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 823 | E | 30.3 | Very low | 31.6 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | trans | 57.1 | 152.3 | 159.2 | -70.4 | 146.3 | -157.4 | 0 | 0 | 120.4 | ||||
| 824 | E | 30.1 | Very low | 32.1 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | cis | -151.9 | 161.8 | 2.1 | -140.4 | 175.1 | 177 | 0 | 0 | 114.5 | ||||
| 825 | S | 32.5 | Very low | 32.4 | Very low | 88 Ų | 88 | 129 Ų | 129 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | trans | 46.2 | 116.6 | 157.3 | 61.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 826 | T | 32.6 | Very low | 32.6 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 82% | 0.816 | 68% | 0.683 | S | S | * | * | cis | 89.7 | 143.7 | 45.6 | 60.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 827 | S | 32.9 | Very low | 32.7 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | cis | -175 | -168.2 | -11.7 | 52.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 828 | F | 26.8 | Very low | 32.6 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 74% | 0.737 | 69% | 0.692 | S | S | * | * | cis | -163.9 | 152.5 | 5.2 | -167.6 | -102.3 | 0 | 0 | 0 | 109 | P830 | F828-P830 HydrophobicContact CD1-CG 4.48Å; F828-P830 HydrophobicContact CE1-CG 3.92Å | ||
| 829 | H | 35.8 | Very low | 32.3 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 87% | 0.87 | 69% | 0.693 | S | S | * | * | trans | -164 | 118.9 | 173.8 | -126.7 | 64.5 | 0 | 0 | 0 | 118.3 | ||||
| 830 | P | 51.7 | Low | 32.4 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 49% | 0.494 | 69% | 0.693 | S | S | . | * | trans | -135.7 | 171.5 | 157.7 | 36.8 | -21.4 | 0 | 0 | 0 | 113.5 | E475 F828 | E475-P830 VanDerWaalsContact O-CB 3.31Å; E475-P830 WeakPolarHBondContact O-CB 3.2Å; F828-P830 HydrophobicContact CD1-CG 4.48Å; F828-P830 HydrophobicContact CE1-CG 3.92Å | ||
| 831 | G | 33.1 | Very low | 32.2 | Very low | 42 Ų | 42 | 127 Ų | 127 | 43% | 0.433 | 69% | 0.691 | S | S | . | * | cis | 151.1 | 128.3 | -11.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E475 S476 | E475-G831 CarbonylContact O-C 3.54Å; E475-G831 WeakPolarHBondContact O-CA 3.47Å; S476-G831 WeakPolarHBondContact CA-O 3.49Å; S476-G831 WeakPolarHBondContact CB-O 3.45Å | ||
| 832 | N | 38 | Very low | 32.1 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 65% | 0.652 | 69% | 0.692 | S | S | * | * | trans | 48 | -178.9 | 141.8 | -67.4 | 14.2 | 0 | 0 | 0 | 122.6 | ||||
| 833 | N | 35.5 | Very low | 32 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 60% | 0.604 | 70% | 0.704 | S | S | * | * | cis | -159.8 | 179 | 18.7 | -126.2 | 3.3 | 0 | 0 | 0 | 109 | ||||
| 834 | S | 34.3 | Very low | 31.8 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 57% | 0.566 | 70% | 0.702 | S | S | * | * | cis | -178.7 | 174.2 | -20.2 | 45 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 835 | V | 32.8 | Very low | 31.8 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | trans | 66.7 | 157.1 | 159.4 | -87.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 836 | S | 34 | Very low | 31.6 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | cis | -167.2 | 152.1 | -3.1 | 44.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 837 | Q | 32.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 125.3 Ų | 125.3 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | 76.3 | 135.9 | 137 | -78.5 | -179.7 | 10.1 | 0 | 0 | 127.8 | ||||
| 838 | Y | 27.4 | Very low | 31.4 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | trans | 62.4 | 123.1 | 141 | -66 | -53.9 | 0 | 0 | 0 | 128.2 | ||||
| 839 | N | 24.8 | Very low | 31.4 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | trans | 43.4 | 116 | 130.5 | -76 | 52.8 | 0 | 0 | 0 | 126.8 | ||||
| 840 | E | 29.4 | Very low | 31 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | 89.6 | 126.5 | 101.8 | -152.5 | 172.6 | -155 | 0 | 0 | 124.7 | |||||
| 841 | T | 24.5 | Very low | 30 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | 74 | 129.3 | 151.1 | 41.9 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 842 | A | 27.7 | Very low | 29.9 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | 66.5 | 144.6 | 139.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 843 | K | 25.7 | Very low | 29.8 | Very low | 200 Ų | 200 | 130.4 Ų | 130.4 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | cis | -145.3 | -152 | 9.3 | -127.7 | 161.2 | -172.6 | 169.4 | 0 | 109.8 | ||||
| 844 | S | 26.2 | Very low | 29.3 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | cis | -158 | -171.1 | 14.6 | -154.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 845 | N | 29.5 | Very low | 29.1 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -99.7 | 170 | 176.1 | -54.1 | -14.4 | 0 | 0 | 0 | 110.5 | ||||
| 846 | T | 27.4 | Very low | 29 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | -167.6 | 146.2 | 54.7 | 46.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 847 | S | 31.1 | Very low | 28.7 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | 51.8 | 144.2 | 129.1 | -56.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 848 | E | 31.7 | Very low | 28.3 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | -162.9 | 179.9 | 2.2 | -132.4 | 148.4 | -121 | 0 | 0 | 113.7 | ||||
| 849 | V | 26.3 | Very low | 28.1 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | 92.3 | 117.9 | 168.8 | -170 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 850 | D | 27.6 | Very low | 28.2 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | 46.4 | 122.8 | 156.2 | -57.9 | -7.9 | 0 | 0 | 0 | 122.3 | ||||
| 851 | I | 30.7 | Very low | 28.1 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | 90.4 | 129.8 | 49.6 | -70.1 | 171.3 | 0 | 0 | 0 | 111.4 | ||||
| 852 | S | 31.1 | Very low | 28.2 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | cis | -150 | 144.7 | 21.2 | 30.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 853 | T | 35 | Very low | 28.3 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | 26.8 | 143.7 | 140.9 | 64.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 854 | M | 25.9 | Very low | 28.6 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | cis | -148.1 | 167.6 | 28 | -67 | -174.5 | 96.2 | 0 | 0 | 110.4 | ||||
| 855 | S | 30.7 | Very low | 28.7 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | cis | 85 | 135.5 | 13.5 | 84.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 856 | K | 30 | Very low | 28.5 | Very low | 197 Ų | 197 | 130 Ų | 130 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | cis | -170.7 | 150.6 | -0.7 | -129.9 | -178.2 | -178.1 | 179.9 | 0 | 111.7 | ||||
| 857 | A | 27.1 | Very low | 28.3 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 41.2 | 170 | 138.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 858 | S | 24.1 | Very low | 27.9 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | cis | -154.6 | 171.7 | 16.4 | -46.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 859 | T | 24.5 | Very low | 27.6 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | trans | -105.2 | 165.5 | 176.9 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 860 | S | 25.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 153.3 | 167.4 | 143.9 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 861 | E | 28.1 | Very low | 27.4 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | cis | -168.6 | 150 | -45.1 | -107.9 | -169.5 | 122 | 0 | 0 | 109.6 | ||||
| 862 | S | 26.3 | Very low | 27.1 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 57.8 | -177.5 | 144.6 | -59.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 863 | S | 29.7 | Very low | 26.9 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -152.8 | 175.2 | -164.8 | -74.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 864 | Q | 32.9 | Very low | 26.7 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 92.2 | 99.4 | 173.1 | -58.2 | -166.7 | 15.6 | 0 | 0 | 115.9 | ||||
| 865 | T | 27.2 | Very low | 26.8 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 74.5 | 142.7 | 90.3 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 866 | V | 25.9 | Very low | 26.6 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | cis | -164.4 | 144.2 | -0.4 | 118 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 867 | F | 23.6 | Very low | 26.4 | Very low | 173 Ų | 173 | 133 Ų | 133 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | 171.5 | 149.1 | 102.6 | -114.6 | -50.9 | 0 | 0 | 0 | 112.6 | |||||
| 868 | K | 22.4 | Very low | 26.7 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 81% | 0.809 | 79% | 0.785 | S | S | * | * | trans | 59.4 | 136.1 | 157.7 | -63.7 | 168.6 | -175.3 | 173.2 | 0 | 116.5 | ||||
| 869 | A | 25.1 | Very low | 26.8 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | cis | -148 | -172.3 | 39.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 870 | T | 24.5 | Very low | 26.9 | Very low | 136 Ų | 136 | 139 Ų | 139 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -114.6 | 165 | -172.3 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 871 | A | 26 | Very low | 26.9 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | 99.3 | 97.7 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 872 | T | 24.5 | Very low | 26.8 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | 72.8 | 135.3 | 116.9 | -22.1 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 873 | T | 26.2 | Very low | 26.7 | Very low | 114 Ų | 114 | 141 Ų | 141 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 76.7 | 101.6 | 145 | 26.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 874 | I | 31.1 | Very low | 26.5 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | 33.6 | 117.6 | 113.6 | -51.3 | 169.2 | 0 | 0 | 0 | 119.8 | |||||
| 875 | S | 27.1 | Very low | 26.1 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 179.4 | 122.3 | 125.5 | -78.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 876 | K | 27.1 | Very low | 26.1 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | 75.7 | 104.8 | 65 | -172.2 | -170.3 | 178.1 | -174.4 | 0 | 114.3 | |||||
| 877 | I | 25.6 | Very low | 26.1 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -173.3 | 156.6 | 140 | -97.6 | 154.3 | 0 | 0 | 0 | 108.6 | ||||
| 878 | E | 33.3 | Very low | 26.1 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -140.5 | 170.5 | -178.3 | -175.2 | 175.7 | -153.2 | 0 | 0 | 108.9 | ||||
| 879 | L | 26.8 | Very low | 26.3 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 84.5 | 136.1 | -178.8 | -54.5 | 162.5 | 0 | 0 | 0 | 113.5 | ||||
| 880 | I | 26.4 | Very low | 26.3 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | cis | -149.1 | 166.2 | 8.8 | -109.4 | 150 | 0 | 0 | 0 | 111.9 | ||||
| 881 | N | 24.6 | Very low | 26.3 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -47.7 | -178.4 | 173.6 | -45.7 | -26.8 | 0 | 0 | 0 | 117.5 | ||||
| 882 | L | 25.9 | Very low | 26.4 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | cis | -162.3 | 175.4 | 16.9 | -160 | 68.2 | 0 | 0 | 0 | 111.5 | ||||
| 883 | E | 24.7 | Very low | 26.7 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 68.3 | 117.5 | 158.5 | -85.8 | 161.2 | -155.6 | 0 | 0 | 119.2 | ||||
| 884 | S | 25.6 | Very low | 26.9 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 85.8 | 149.5 | 88.4 | 89.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 885 | T | 24.5 | Very low | 26.8 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | cis | -142.5 | -178.9 | 12.8 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 886 | L | 28.1 | Very low | 26.9 | Very low | 173 Ų | 173 | 132 Ų | 132 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | trans | -65.1 | 165.4 | 171.8 | -64.7 | 69.8 | 0 | 0 | 0 | 114.2 | ||||
| 887 | G | 24.2 | Very low | 27.1 | Very low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 166.8 | 100.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 888 | G | 25.1 | Very low | 27.1 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | 78 | 164.5 | 150 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 889 | T | 25.6 | Very low | 26.9 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | cis | -164.2 | 128.3 | -14.7 | 16.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 890 | I | 26.1 | Very low | 27.1 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | 45.3 | 119.3 | 129.7 | -53.3 | 170.2 | 0 | 0 | 0 | 121.1 | T892 | I890-T892 HydrophobicContact CG2-CG2 4.1Š| |||
| 891 | S | 24.1 | Very low | 27.2 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | -174 | 121.6 | 124.7 | -75.4 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 892 | T | 27.3 | Very low | 27.1 | Very low | 106 Ų | 106 | 125 Ų | 125 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | 70.4 | 132 | 59.4 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | I890 | I890-T892 HydrophobicContact CG2-CG2 4.1Š| |||
| 893 | T | 31.6 | Very low | 27.2 | Very low | 116 Ų | 116 | 124 Ų | 124 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | cis | -153.7 | -152.3 | -6.4 | 19.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 894 | D | 29.8 | Very low | 27.2 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | cis | -164.4 | 173.6 | 11.6 | -133.8 | -49.4 | 0 | 0 | 0 | 113.6 | ||||
| 895 | I | 30.3 | Very low | 27.3 | Very low | 154 Ų | 154 | 122.7 Ų | 122.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 63.9 | 128.6 | 156.5 | -68.6 | 162.6 | 0 | 0 | 0 | 118.4 | ||||
| 896 | S | 28.9 | Very low | 27.5 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | cis | -169.3 | 144.7 | -13.4 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 897 | T | 30.6 | Very low | 27.9 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 42.1 | 141 | 145.2 | 54.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 898 | G | 26.8 | Very low | 28.1 | Very low | 73 Ų | 73 | 122.6 Ų | 122.6 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | 168.7 | 103.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 899 | D | 29 | Very low | 28.7 | Very low | 145 Ų | 145 | 128 Ų | 128 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -98.6 | 158.3 | -158.2 | -48.9 | -76.9 | 0 | 0 | 0 | 117.7 | ||||
| 900 | E | 29.1 | Very low | 28.9 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | 49.3 | 142.2 | 143 | -73.8 | -172.7 | 142.9 | 0 | 0 | 126.3 | ||||
| 901 | E | 28.8 | Very low | 28.9 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 55.5 | 152.8 | 153.1 | -63.5 | -158.3 | 138.1 | 0 | 0 | 120.3 | ||||
| 902 | T | 23.4 | Very low | 29 | Very low | 125 Ų | 125 | 129 Ų | 129 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | cis | -150.2 | -159.3 | 31.5 | -25.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 903 | T | 27.6 | Very low | 29.2 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | -109.3 | 165.4 | -157.5 | 51.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 904 | T | 25.5 | Very low | 29 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 110.5 | 141.7 | 146.5 | 71.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 905 | S | 26.8 | Very low | 29.1 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 85.2 | 94.1 | 139.6 | -168.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 906 | T | 29.6 | Very low | 29.3 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | 48.9 | 135.6 | 119.4 | 3.6 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 907 | H | 35 | Very low | 29.4 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 132 | 152.5 | -72.7 | -61.9 | 0 | 0 | 0 | 121.4 | ||||
| 908 | G | 28.8 | Very low | 30.1 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 162.9 | 105.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 909 | E | 37.5 | Very low | 30.9 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -92 | 143.1 | 162.2 | -153.5 | 177.3 | 152.3 | 0 | 0 | 106.3 | ||||
| 910 | L | 30.3 | Very low | 31.3 | Very low | 138 Ų | 138 | 138 Ų | 138 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | -174.3 | 164.1 | 55.9 | 174.6 | 64.7 | 0 | 0 | 0 | 108.6 | |||||
| 911 | T | 25.8 | Very low | 32 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | 146.8 | 176.6 | 141.4 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 912 | T | 27.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -105 | 156.5 | -147.9 | 47.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 913 | S | 31.5 | Very low | 33.6 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 67.4 | 128.8 | 150.6 | 67.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 914 | T | 26.1 | Very low | 34.6 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | 165.1 | 130.5 | 109.7 | -73.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 915 | T | 33.4 | Very low | 35.7 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 18 | 123.9 | 167.4 | 59.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 916 | Q | 33.5 | Very low | 37.2 | Very low | 202 Ų | 202 | 134 Ų | 134 | 94% | 0.944 | 74% | 0.744 | S | S | * | * | trans | -146.3 | 156.3 | 147.1 | -113.1 | 175.5 | 41.5 | 0 | 0 | 112.3 | ||||
| 917 | S | 32 | Very low | 38.9 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -151.1 | 151.8 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 918 | P | 43.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | S | Bend | cis | -117.3 | -167.3 | 5.8 | 42.3 | -30.3 | 0 | 0 | 0 | 113.3 | Q920 | P918-Q920 PolarHBondContact O-N 3.42Š|
| 919 | N | 44.8 | Very low | 42.5 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -19.5 | 117 | 170.9 | -64.2 | -10.5 | 0 | 0 | 0 | 117.1 | ||||
| 920 | Q | 37 | Very low | 44.2 | Very low | 194 Ų | 194 | 130.2 Ų | 130.2 | 91% | 0.907 | 71% | 0.709 | S | S | * | * | trans | -99.3 | 136.1 | 134.2 | -76.3 | -139.5 | -28.3 | 0 | 0 | 109.2 | P918 Q922 | P918-Q920 PolarHBondContact O-N 3.42Å; Q920-Q922 PolarHBondContact O-N 3.09Å | ||
| 921 | V | 43.7 | Very low | 46.2 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -78.9 | 113 | 177.3 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | L923 | V921-L923 VanDerWaalsContact C-N 3.34Å; V921-L923 PolarHBondContact O-N 3.36Å | ||
| 922 | Q | 38.6 | Very low | 48.9 | Very low | 176 Ų | 176 | 123.6 Ų | 123.6 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | trans | -67.9 | 91.2 | 172.3 | -175.1 | 70.4 | 35.9 | 0 | 0 | 109.6 | Q920 G924 | Q920-Q922 PolarHBondContact O-N 3.09Å; Q922-G924 PolarHBondContact O-N 2.72Å | ||
| 923 | L | 46.7 | Very low | 51.7 | Low | 120 Ų | 120 | 118.1 Ų | 118.1 | 63% | 0.628 | 64% | 0.636 | S | S | * | * | trans | -68.7 | 78.7 | 169.6 | -88.4 | 158.5 | 0 | 0 | 0 | 109.9 | V921 M925 | V921-L923 VanDerWaalsContact C-N 3.34Å; V921-L923 PolarHBondContact O-N 3.36Å; L923-M925 PolarHBondContact O-N 2.84Å | ||
| 924 | G | 48 | Very low | 54.3 | Low | 16 Ų | 16 | 117.3 Ų | 117.3 | 17% | 0.165 | 62% | 0.623 | C | S | . | * | trans | -61.1 | 114.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q922 Y926 Y946 | Q922-G924 PolarHBondContact O-N 2.72Å; G924-Y926 VanDerWaalsContact C-N 3.25Å; G924-Y926 WeakPolarHBondContact O-CD2 3.35Å; G924-Y926 PolarHBondContact O-N 3.4Å; G924-Y946 WeakPolarHBondContact O-CE1 3.43Å; G924-Y946 PolarHBondContact O-OH 3.48Å | ||
| 925 | M | 50 | Low | 56.9 | Low | 163 Ų | 163 | 115.2 Ų | 115.2 | 80% | 0.803 | 61% | 0.607 | S | S | * | * | trans | -75.5 | 74 | -172.3 | -172.4 | 171.6 | 57.2 | 0 | 0 | 111.8 | L923 | L923-M925 PolarHBondContact O-N 2.84Š| ||
| 926 | Y | 58.8 | Low | 59.2 | Low | 137 Ų | 137 | 111.7 Ų | 111.7 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | trans | -71.5 | 159.5 | 176.2 | -54.9 | -56.6 | 0 | 0 | 0 | 111.9 | G924 Y946 | G924-Y926 VanDerWaalsContact C-N 3.25Å; G924-Y926 WeakPolarHBondContact O-CD2 3.35Å; G924-Y926 PolarHBondContact O-N 3.4Å; Y926-Y946 HydrophobicContact CD2-CE1 4.05Å; Y926-Y946 HydrophobicContact CD2-CE2 4.2Å; Y926-Y946 AromaticContact CD2-CZ 3.67Å; Y926-Y946 HydrophobicContact CG-CE1 4.41Å; Y926-Y946 WeakPolarHBondContact O-CD1 3.25Å | ||
| 927 | S | 63.4 | Low | 61.8 | Low | 86 Ų | 86 | 102.1 Ų | 102.1 | 60% | 0.601 | 55% | 0.552 | S | S | * | * | trans | -128.1 | 141 | -179.3 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | K929 | S927-K929 PolarHBondContact O-N 2.88Š| ||
| 928 | C | 70.4 | Confident | 64.5 | Low | 50 Ų | 50 | 100.5 Ų | 100.5 | 34% | 0.338 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 26.1 | 176.5 | -54 | 0 | 0 | 0 | 0 | 114.1 | E930 C939 | C928-E930 VanDerWaalsContact C-N 3.28Å; C928-C939 VanDerWaalsContact CA-SG 3.51Å; C928-C939 HydrophobicContact CB-CB 3.65Å; C928-C939 WeakPolarHBondContact CB-SG 3.3Å; C928-C939 WeakPolarHBondContact SG-CB 3.31Å; C928-C939 CovalentContact SG-SG 2.04Å; C928-C939 PolarHBondContact SG-SG 2.86Å |
| 929 | K | 70.7 | Confident | 66.6 | Low | 193 Ų | 193 | 96.5 Ų | 96.5 | 84% | 0.839 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26.3 | 171.4 | -165.8 | -179.8 | -179.2 | -171.6 | 0 | 111.3 | S927 | S927-K929 PolarHBondContact O-N 2.88Š|
| 930 | E | 71.4 | Confident | 68.4 | Low | 158 Ų | 158 | 93.8 Ų | 93.8 | 74% | 0.738 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -120.9 | 139.3 | 161 | -69.9 | 167.9 | -159.3 | 0 | 0 | 106.4 | C928 I932 | C928-E930 VanDerWaalsContact C-N 3.28Å; E930-I932 PolarHBondContact O-N 2.8Å; E930-I932 VanDerWaalsContact O-N 3.14Å |
| 931 | N | 73.6 | Confident | 70.3 | Confident | 95 Ų | 95 | 92.5 Ų | 92.5 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | trans | -80.7 | 98.4 | -178.7 | -172.1 | 24.3 | 0 | 0 | 0 | 109.6 | C933 G937 C939 | N931-C933 PolarHBondContact O-N 2.93Å; N931-C933 PolarHBondContact OD1-N 2.94Å; N931-G937 PolarHBondContact ND2-O 3.46Å; N931-C939 WeakPolarHBondContact OD1-CB 3.21Å; N931-C939 PolarHBondContact OD1-N 2.85Å; N931-C939 VanDerWaalsContact OD1-N 3.14Å | ||
| 932 | I | 82.2 | Confident | 71.4 | Confident | 39 Ų | 39 | 90.4 Ų | 90.4 | 20% | 0.2 | 48% | 0.478 | C | S | . | . | trans | -72.8 | -5.9 | 179.6 | 67.3 | 168.8 | 0 | 0 | 0 | 113.7 | E930 Y946 | E930-I932 PolarHBondContact O-N 2.8Å; E930-I932 VanDerWaalsContact O-N 3.14Å; I932-Y946 HydrophobicContact CD1-CD2 3.45Å; I932-Y946 VanDerWaalsContact CD1-CD2 3.45Å; I932-Y946 HydrophobicContact CD1-CE2 3.66Å; I932-Y946 HydrophobicContact CD1-CG 4.32Å | ||
| 933 | C | 86.1 | Confident | 73 | Confident | 9 Ų | 9 | 85 Ų | 85 | 6% | 0.061 | 47% | 0.469 | C | S | . | . | trans | -85.6 | 122.2 | -177.3 | -48.8 | 0 | 0 | 0 | 0 | 110.2 | N931 G937 C939 C948 Q958 | N931-C933 PolarHBondContact O-N 2.93Å; N931-C933 PolarHBondContact OD1-N 2.94Å; C933-G937 VanDerWaalsContact CB-C 3.5Å; C933-G937 WeakPolarHBondContact CB-O 3.07Å; C933-C939 WeakPolarHBondContact SG-CA 3.43Å; C933-C939 VanDerWaalsContact SG-CB 3.56Å; C933-C939 PolarHBondContact SG-N 3.05Å; C933-C948 VanDerWaalsContact CA-SG 3.53Å; C933-C948 HydrophobicContact CB-CB 3.79Å; C933-C948 WeakPolarHBondContact CB-SG 3.31Å; C933-C948 WeakPolarHBondContact SG-CA 3.44Å; C933-C948 WeakPolarHBondContact SG-CB 3.33Å; C933-C948 CovalentContact SG-SG 2.03Å; C933-C948 PolarHBondContact SG-SG 2.85Å; C933-Q958 CarbonylContact C-O 3.56Å; C933-Q958 WeakPolarHBondContact CA-O 3.44Å | ||
| 934 | L | 85.3 | Confident | 73.7 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | trans | -75.8 | 173.2 | 177.4 | -52.8 | -175.6 | 0 | 0 | 0 | 110.9 | G936 G937 Q958 E960 | L934-G936 PolarHBondContact O-N 2.83Å; L934-G937 PolarHBondContact O-N 2.81Å; L934-Q958 PolarHBondContact N-O 3.02Å; L934-E960 HydrophobicContact CD1-CB 3.95Å | ||
| 935 | N | 82.4 | Confident | 74.5 | Confident | 76 Ų | 76 | 87.7 Ų | 87.7 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.2 | 167.7 | -56.3 | -30.8 | 0 | 0 | 0 | 115.2 | G937 Y954 C959 | N935-G937 VanDerWaalsContact C-N 3.28Å; N935-G937 PolarHBondContact O-N 3.26Å; N935-Y954 HydrophobicContact CB-CD1 3.55Å; N935-Y954 HydrophobicContact CB-CD2 3.71Å; N935-Y954 HydrophobicContact CB-CE1 3.61Å; N935-Y954 HydrophobicContact CB-CE2 3.75Å; N935-Y954 HydrophobicContact CB-CG 3.62Å; N935-Y954 WeakPolarHBondContact ND2-CD1 3.07Å; N935-Y954 VanDerWaalsContact ND2-CE1 3.33Å; N935-Y954 WeakPolarHBondContact ND2-CE1 3.39Å; N935-C959 PolarHBondContact ND2-O 2.89Å |
| 936 | G | 81.8 | Confident | 75.7 | Confident | 55 Ų | 55 | 82.3 Ų | 82.3 | 57% | 0.567 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 14.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L934 S951 | L934-G936 PolarHBondContact O-N 2.83Å; G936-S951 PolarHBondContact O-OG 3.06Å |
| 937 | G | 87.2 | Confident | 76.8 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | trans | -65.5 | 153 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N931 C933 L934 N935 S949 | N931-G937 PolarHBondContact ND2-O 3.46Å; C933-G937 VanDerWaalsContact CB-C 3.5Å; C933-G937 WeakPolarHBondContact CB-O 3.07Å; L934-G937 PolarHBondContact O-N 2.81Å; N935-G937 VanDerWaalsContact C-N 3.28Å; N935-G937 PolarHBondContact O-N 3.26Å; G937-S949 CarbonylContact C-O 3.33Å; G937-S949 VanDerWaalsContact CA-O 3.29Å; G937-S949 WeakPolarHBondContact CA-O 3.35Å | ||
| 938 | S | 88.5 | Confident | 78 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 52% | 0.517 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.3 | -179.6 | -67 | 0 | 0 | 0 | 0 | 111.3 | F940 S949 | S938-F940 PolarHBondContact O-N 3.33Å; S938-S949 PolarHBondContact N-O 3Å; S938-S949 PolarHBondContact O-N 2.84Å |
| 939 | C | 87.3 | Confident | 79 | Confident | 26 Ų | 26 | 75.5 Ų | 75.5 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.9 | 174.6 | -170.4 | 0 | 0 | 0 | 0 | 111 | C928 N931 C933 | C928-C939 VanDerWaalsContact CA-SG 3.51Å; C928-C939 HydrophobicContact CB-CB 3.65Å; C928-C939 WeakPolarHBondContact CB-SG 3.3Å; C928-C939 WeakPolarHBondContact SG-CB 3.31Å; C928-C939 CovalentContact SG-SG 2.04Å; C928-C939 PolarHBondContact SG-SG 2.86Å; N931-C939 WeakPolarHBondContact OD1-CB 3.21Å; N931-C939 PolarHBondContact OD1-N 2.85Å; N931-C939 VanDerWaalsContact OD1-N 3.14Å; C933-C939 WeakPolarHBondContact SG-CA 3.43Å; C933-C939 VanDerWaalsContact SG-CB 3.56Å; C933-C939 PolarHBondContact SG-N 3.05Å |
| 940 | F | 82.8 | Confident | 79.9 | Confident | 96 Ų | 96 | 68.2 Ų | 68.2 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.3 | 171.9 | 69.3 | -84.5 | 0 | 0 | 0 | 111.4 | S938 S947 | S938-F940 PolarHBondContact O-N 3.33Å; F940-S947 VanDerWaalsContact CD1-O 3.22Å; F940-S947 WeakPolarHBondContact CD1-O 3.11Å; F940-S947 PolarHBondContact N-O 3.08Å; F940-S947 PolarHBondContact O-N 3.48Å |
| 941 | K | 77.4 | Confident | 80.6 | Confident | 168 Ų | 168 | 62.8 Ų | 62.8 | 73% | 0.73 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 116.7 | -178 | -178.2 | 176.8 | 175.9 | 178 | 0 | 110.4 | G943 | K941-G943 WeakPolarHBondContact CE-O 3.4Å; K941-G943 WeakPolarHBondContact CG-O 3.33Å |
| 942 | S | 67.9 | Low | 81 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 53% | 0.531 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 89.9 | 175 | -163.4 | 0 | 0 | 0 | 0 | 109.7 | S944 I945 | S942-S944 PolarHBondContact O-N 2.88Å; S942-I945 CarbonylContact C-O 3.52Å; S942-I945 WeakPolarHBondContact CA-O 3.33Å; S942-I945 PolarHBondContact N-O 3.29Å; S942-I945 PolarHBondContact O-N 2.7Å; S942-I945 VanDerWaalsContact O-N 3.08Å; S942-I945 VanDerWaalsContact O-O 3.07Å |
| 943 | G | 70.8 | Confident | 81 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -122.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | K941 | K941-G943 WeakPolarHBondContact CE-O 3.4Å; K941-G943 WeakPolarHBondContact CG-O 3.33Å |
| 944 | S | 62.3 | Low | 81.1 | Confident | 97 Ų | 97 | 63.4 Ų | 63.4 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -7.2 | 172.5 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | S942 | S942-S944 PolarHBondContact O-N 2.88Š|
| 945 | I | 65 | Low | 81.1 | Confident | 97 Ų | 97 | 62.7 Ų | 62.7 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.7 | -174.5 | -58.4 | 174.3 | 0 | 0 | 0 | 109.2 | S942 | S942-I945 CarbonylContact C-O 3.52Å; S942-I945 WeakPolarHBondContact CA-O 3.33Å; S942-I945 PolarHBondContact N-O 3.29Å; S942-I945 PolarHBondContact O-N 2.7Å; S942-I945 VanDerWaalsContact O-N 3.08Å; S942-I945 VanDerWaalsContact O-O 3.07Å |
| 946 | Y | 75.3 | Confident | 81.3 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 143.5 | 169.8 | 54.2 | -87.2 | 0 | 0 | 0 | 108.9 | G924 Y926 I932 | G924-Y946 WeakPolarHBondContact O-CE1 3.43Å; G924-Y946 PolarHBondContact O-OH 3.48Å; Y926-Y946 HydrophobicContact CD2-CE1 4.05Å; Y926-Y946 HydrophobicContact CD2-CE2 4.2Å; Y926-Y946 AromaticContact CD2-CZ 3.67Å; Y926-Y946 HydrophobicContact CG-CE1 4.41Å; Y926-Y946 WeakPolarHBondContact O-CD1 3.25Å; I932-Y946 HydrophobicContact CD1-CD2 3.45Å; I932-Y946 VanDerWaalsContact CD1-CD2 3.45Å; I932-Y946 HydrophobicContact CD1-CE2 3.66Å; I932-Y946 HydrophobicContact CD1-CG 4.32Å |
| 947 | S | 81.9 | Confident | 81.4 | Confident | 47 Ų | 47 | 66 Ų | 66 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145.4 | 177.4 | -170.4 | 0 | 0 | 0 | 0 | 110 | F940 | F940-S947 VanDerWaalsContact CD1-O 3.22Å; F940-S947 WeakPolarHBondContact CD1-O 3.11Å; F940-S947 PolarHBondContact N-O 3.08Å; F940-S947 PolarHBondContact O-N 3.48Å |
| 948 | C | 88.8 | Confident | 81.4 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 10% | 0.101 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.1 | 173.4 | -69.8 | 0 | 0 | 0 | 0 | 110.1 | C933 H957 C959 | C933-C948 VanDerWaalsContact CA-SG 3.53Å; C933-C948 HydrophobicContact CB-CB 3.79Å; C933-C948 WeakPolarHBondContact CB-SG 3.31Å; C933-C948 WeakPolarHBondContact SG-CA 3.44Å; C933-C948 WeakPolarHBondContact SG-CB 3.33Å; C933-C948 CovalentContact SG-SG 2.03Å; C933-C948 PolarHBondContact SG-SG 2.85Å; C948-H957 PolarHBondContact SG-O 3.41Å; C948-C959 VanDerWaalsContact CB-SG 3.57Å |
| 949 | S | 89.7 | Confident | 81.4 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 47% | 0.469 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 109.6 | 163.5 | -179.2 | 0 | 0 | 0 | 0 | 107 | G937 S938 | G937-S949 CarbonylContact C-O 3.33Å; G937-S949 VanDerWaalsContact CA-O 3.29Å; G937-S949 WeakPolarHBondContact CA-O 3.35Å; S938-S949 PolarHBondContact N-O 3Å; S938-S949 PolarHBondContact O-N 2.84Å |
| 950 | C | 89.6 | Confident | 81.4 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 27% | 0.27 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 149 | -176.6 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | Y954 C959 | C950-Y954 WeakPolarHBondContact CB-O 3.2Å; C950-C959 WeakPolarHBondContact CA-SG 3.47Å; C950-C959 HydrophobicContact CB-CB 3.73Å; C950-C959 WeakPolarHBondContact CB-SG 3.5Å; C950-C959 WeakPolarHBondContact SG-CA 3.33Å; C950-C959 WeakPolarHBondContact SG-CB 3.26Å; C950-C959 CovalentContact SG-SG 2.04Å; C950-C959 PolarHBondContact SG-SG 3.48Å |
| 951 | S | 87 | Confident | 81.2 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 32% | 0.315 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 153.4 | 163.1 | -80.7 | 0 | 0 | 0 | 0 | 109.2 | G936 Y954 | G936-S951 PolarHBondContact O-OG 3.06Å; S951-Y954 PolarHBondContact O-N 2.85Å; S951-Y954 VanDerWaalsContact O-N 3.11Å |
| 952 | P | 82.8 | Confident | 81.3 | Confident | 108 Ų | 108 | 63.1 Ų | 63.1 | 70% | 0.701 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 143.8 | 174.3 | -26.5 | 35.5 | 0 | 0 | 0 | 111.3 | Y954 A982 | P952-Y954 VanDerWaalsContact C-N 3.31Å; P952-A982 HydrophobicContact CB-CB 3.79Å |
| 953 | G | 82.2 | Confident | 82 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 6% | 0.062 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -7.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I963 | G953-I963 WeakPolarHBondContact O-CB 3.45Å; G953-I963 WeakPolarHBondContact O-CG1 3.3Å; G953-I963 PolarHBondContact O-N 2.87Å |
| 954 | Y | 86.7 | Confident | 82.2 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 16% | 0.161 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.3 | -178.7 | -68.4 | -74.4 | 0 | 0 | 0 | 114.5 | N935 C950 S951 P952 T961 D962 L981 | N935-Y954 HydrophobicContact CB-CD1 3.55Å; N935-Y954 HydrophobicContact CB-CD2 3.71Å; N935-Y954 HydrophobicContact CB-CE1 3.61Å; N935-Y954 HydrophobicContact CB-CE2 3.75Å; N935-Y954 HydrophobicContact CB-CG 3.62Å; N935-Y954 WeakPolarHBondContact ND2-CD1 3.07Å; N935-Y954 VanDerWaalsContact ND2-CE1 3.33Å; N935-Y954 WeakPolarHBondContact ND2-CE1 3.39Å; C950-Y954 WeakPolarHBondContact CB-O 3.2Å; S951-Y954 PolarHBondContact O-N 2.85Å; S951-Y954 VanDerWaalsContact O-N 3.11Å; P952-Y954 VanDerWaalsContact C-N 3.31Å; Y954-T961 WeakPolarHBondContact CA-O 3.44Å; Y954-D962 HydrophobicContact CE1-CB 4.08Å; Y954-D962 WeakPolarHBondContact CE1-OD1 3.49Å; Y954-D962 PolarHBondContact OH-OD1 3.39Å; Y954-D962 PolarHBondContact OH-OD2 2.83Å; Y954-L981 HydrophobicContact CE2-CD2 4.48Å; Y954-L981 WeakPolarHBondContact OH-CD2 3.38Å |
| 955 | T | 86.9 | Confident | 83.3 | Confident | 71 Ų | 71 | 61 Ų | 61 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 177.6 | 178.9 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | C959 E960 T961 I963 | T955-C959 CarbonylContact O-C 3.59Å; T955-C959 VanDerWaalsContact O-C 3.3Å; T955-C959 VanDerWaalsContact O-CA 3.28Å; T955-C959 WeakPolarHBondContact O-CA 3.29Å; T955-E960 PolarHBondContact O-N 3.16Å; T955-T961 HydrophobicContact CG2-CG2 3.83Å; T955-T961 PolarHBondContact N-O 2.83Å; T955-T961 WeakPolarHBondContact O-CB 3.27Å; T955-T961 PolarHBondContact O-N 3.45Å; T955-I963 HydrophobicContact CG2-CG1 3.78Å |
| 956 | G | 86.4 | Confident | 84.2 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 99.4 | 174.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q958 C959 E960 | G956-Q958 VanDerWaalsContact C-N 3.33Å; G956-Q958 PolarHBondContact O-N 3.48Å; G956-C959 PolarHBondContact O-N 2.99Å; G956-E960 VanDerWaalsContact CA-OE2 3.32Å; G956-E960 WeakPolarHBondContact CA-OE2 3.23Å |
| 957 | H | 83.8 | Confident | 84.6 | Confident | 170 Ų | 170 | 61.9 Ų | 61.9 | 79% | 0.787 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -77.6 | -19.6 | -172.9 | -68.5 | -53.5 | 0 | 0 | 0 | 113.8 | C948 E960 | C948-H957 PolarHBondContact SG-O 3.41Å; H957-E960 PolarHBondContact N-OE1 2.88Å; H957-E960 VanDerWaalsContact N-OE1 3.15Å; H957-E960 PolarHBondContact N-OE2 2.89Å |
| 958 | Q | 86.4 | Confident | 84.6 | Confident | 77 Ų | 77 | 64.7 Ų | 64.7 | 36% | 0.36 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -120.2 | 12 | 173.6 | -66.9 | -176.4 | -15.9 | 0 | 0 | 111.9 | C933 L934 G956 E960 | C933-Q958 CarbonylContact C-O 3.56Å; C933-Q958 WeakPolarHBondContact CA-O 3.44Å; L934-Q958 PolarHBondContact N-O 3.02Å; G956-Q958 VanDerWaalsContact C-N 3.33Å; G956-Q958 PolarHBondContact O-N 3.48Å; Q958-E960 VanDerWaalsContact C-OE2 3.25Å; Q958-E960 VanDerWaalsContact CA-OE2 3.29Å; Q958-E960 WeakPolarHBondContact CA-OE2 3.42Å; Q958-E960 PolarHBondContact N-OE2 3.01Å; Q958-E960 PolarHBondContact O-N 2.97Å |
| 959 | C | 89.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | S | Bend | trans | 61.5 | 30.8 | -172.6 | -47.9 | 0 | 0 | 0 | 0 | 113.4 | N935 C948 C950 T955 G956 | N935-C959 PolarHBondContact ND2-O 2.89Å; C948-C959 VanDerWaalsContact CB-SG 3.57Å; C950-C959 WeakPolarHBondContact CA-SG 3.47Å; C950-C959 HydrophobicContact CB-CB 3.73Å; C950-C959 WeakPolarHBondContact CB-SG 3.5Å; C950-C959 WeakPolarHBondContact SG-CA 3.33Å; C950-C959 WeakPolarHBondContact SG-CB 3.26Å; C950-C959 CovalentContact SG-SG 2.04Å; C950-C959 PolarHBondContact SG-SG 3.48Å; T955-C959 CarbonylContact O-C 3.59Å; T955-C959 VanDerWaalsContact O-C 3.3Å; T955-C959 VanDerWaalsContact O-CA 3.28Å; T955-C959 WeakPolarHBondContact O-CA 3.29Å; G956-C959 PolarHBondContact O-N 2.99Å |
| 960 | E | 85.4 | Confident | 84.2 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | trans | -75.7 | -18.7 | -175.6 | 69.1 | -82.8 | -158.2 | 0 | 0 | 114.2 | L934 T955 G956 H957 Q958 | L934-E960 HydrophobicContact CD1-CB 3.95Å; T955-E960 PolarHBondContact O-N 3.16Å; G956-E960 VanDerWaalsContact CA-OE2 3.32Å; G956-E960 WeakPolarHBondContact CA-OE2 3.23Å; H957-E960 PolarHBondContact N-OE1 2.88Å; H957-E960 VanDerWaalsContact N-OE1 3.15Å; H957-E960 PolarHBondContact N-OE2 2.89Å; Q958-E960 VanDerWaalsContact C-OE2 3.25Å; Q958-E960 VanDerWaalsContact CA-OE2 3.29Å; Q958-E960 WeakPolarHBondContact CA-OE2 3.42Å; Q958-E960 PolarHBondContact N-OE2 3.01Å; Q958-E960 PolarHBondContact O-N 2.97Å | ||
| 961 | T | 79.4 | Confident | 84.2 | Confident | 69 Ų | 69 | 67.1 Ų | 67.1 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.7 | -174.1 | -53.7 | 0 | 0 | 0 | 0 | 110 | Y954 T955 | Y954-T961 WeakPolarHBondContact CA-O 3.44Å; T955-T961 HydrophobicContact CG2-CG2 3.83Å; T955-T961 PolarHBondContact N-O 2.83Å; T955-T961 WeakPolarHBondContact O-CB 3.27Å; T955-T961 PolarHBondContact O-N 3.45Å |
| 962 | D | 79.8 | Confident | 84.3 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 141.2 | 163.8 | -115.5 | -35 | 0 | 0 | 0 | 109.3 | Y954 D964 | Y954-D962 HydrophobicContact CE1-CB 4.08Å; Y954-D962 WeakPolarHBondContact CE1-OD1 3.49Å; Y954-D962 PolarHBondContact OH-OD1 3.39Å; Y954-D962 PolarHBondContact OH-OD2 2.83Å; D962-D964 PolarHBondContact O-N 3.26Å |
| 963 | I | 82.2 | Confident | 84.3 | Confident | 64 Ų | 64 | 71 Ų | 71 | 33% | 0.328 | 37% | 0.373 | S | S | . | . | trans | -87.1 | 103.8 | 175.7 | -60.2 | 172.9 | 0 | 0 | 0 | 107.9 | G953 T955 E965 | G953-I963 WeakPolarHBondContact O-CB 3.45Å; G953-I963 WeakPolarHBondContact O-CG1 3.3Å; G953-I963 PolarHBondContact O-N 2.87Å; T955-I963 HydrophobicContact CG2-CG1 3.78Å; I963-E965 HydrophobicContact CG2-CG 4.1Å; I963-E965 PolarHBondContact O-N 3.08Å | ||
| 964 | D | 74.5 | Confident | 84.1 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | trans | -61.9 | 95.2 | 170 | 175.8 | 0.2 | 0 | 0 | 0 | 109.7 | D962 C966 Q967 | D962-D964 PolarHBondContact O-N 3.26Å; D964-C966 PolarHBondContact O-N 3.44Å; D964-C966 VanDerWaalsContact OD1-C 3.29Å; D964-C966 VanDerWaalsContact OD1-CA 3.28Å; D964-C966 WeakPolarHBondContact OD1-CA 3.43Å; D964-C966 VanDerWaalsContact OD1-CB 3.27Å; D964-C966 WeakPolarHBondContact OD1-CB 3.33Å; D964-C966 PolarHBondContact OD1-N 2.73Å; D964-Q967 HydrophobicContact CB-CB 4.26Å; D964-Q967 VanDerWaalsContact O-CB 3.22Å; D964-Q967 WeakPolarHBondContact O-CB 3.34Å; D964-Q967 PolarHBondContact O-N 3.43Å; D964-Q967 PolarHBondContact OD1-N 3.47Å | ||
| 965 | E | 86.4 | Confident | 84 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13 | 179.2 | -80.9 | 134.2 | -173.7 | 0 | 0 | 111.7 | I963 D979 A982 S983 F984 | I963-E965 HydrophobicContact CG2-CG 4.1Å; I963-E965 PolarHBondContact O-N 3.08Å; E965-D979 PolarHBondContact N-OD1 3.02Å; E965-A982 WeakPolarHBondContact OE1-CA 3.35Å; E965-A982 WeakPolarHBondContact OE2-CA 3.32Å; E965-S983 WeakPolarHBondContact OE2-CA 3.48Å; E965-S983 PolarHBondContact OE2-N 3.18Å; E965-F984 HydrophobicContact CB-CB 4.37Å; E965-F984 HydrophobicContact CB-CD1 4.21Å |
| 966 | C | 84 | Confident | 83.8 | Confident | 17 Ų | 17 | 72 Ų | 72 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -16 | 168.2 | -71.9 | 0 | 0 | 0 | 0 | 114.2 | D964 S968 N969 C977 D979 | D964-C966 PolarHBondContact O-N 3.44Å; D964-C966 VanDerWaalsContact OD1-C 3.29Å; D964-C966 VanDerWaalsContact OD1-CA 3.28Å; D964-C966 WeakPolarHBondContact OD1-CA 3.43Å; D964-C966 VanDerWaalsContact OD1-CB 3.27Å; D964-C966 WeakPolarHBondContact OD1-CB 3.33Å; D964-C966 PolarHBondContact OD1-N 2.73Å; C966-S968 PolarHBondContact O-N 3.3Å; C966-S968 VanDerWaalsContact O-N 3.08Å; C966-N969 WeakPolarHBondContact O-CA 3.25Å; C966-N969 PolarHBondContact O-N 3.47Å; C966-C977 WeakPolarHBondContact CA-SG 3.06Å; C966-C977 HydrophobicContact CB-CB 3.64Å; C966-C977 WeakPolarHBondContact CB-SG 3.18Å; C966-C977 WeakPolarHBondContact SG-CB 3.21Å; C966-C977 CovalentContact SG-SG 2.03Å; C966-C977 PolarHBondContact SG-SG 2.72Å; C966-D979 HydrophobicContact CB-CB 4.39Å; C966-D979 PolarHBondContact SG-N 3Å; C966-D979 VanDerWaalsContact SG-N 3.36Å |
| 967 | Q | 83.6 | Confident | 83.8 | Confident | 149 Ų | 149 | 72 Ų | 72 | 70% | 0.696 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.9 | 179 | -173.9 | 178.5 | 68.8 | 0 | 0 | 112.9 | D964 N969 | D964-Q967 HydrophobicContact CB-CB 4.26Å; D964-Q967 VanDerWaalsContact O-CB 3.22Å; D964-Q967 WeakPolarHBondContact O-CB 3.34Å; D964-Q967 PolarHBondContact O-N 3.43Å; D964-Q967 PolarHBondContact OD1-N 3.47Å; Q967-N969 VanDerWaalsContact C-N 3.26Å; Q967-N969 PolarHBondContact O-N 3.33Å; Q967-N969 PolarHBondContact O-ND2 2.73Å |
| 968 | S | 82 | Confident | 83.9 | Confident | 106 Ų | 106 | 67.3 Ų | 67.3 | 74% | 0.741 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -0.9 | 177.8 | -65 | 0 | 0 | 0 | 0 | 114.4 | C966 | C966-S968 PolarHBondContact O-N 3.3Å; C966-S968 VanDerWaalsContact O-N 3.08Å |
| 969 | N | 81.3 | Confident | 83.5 | Confident | 128 Ų | 128 | 67 Ų | 67 | 68% | 0.684 | 37% | 0.371 | S | S | * | . | trans | 47.6 | 60.2 | -171.6 | -67.3 | -89.1 | 0 | 0 | 0 | 112.9 | C966 Q967 C971 | C966-N969 WeakPolarHBondContact O-CA 3.25Å; C966-N969 PolarHBondContact O-N 3.47Å; Q967-N969 VanDerWaalsContact C-N 3.26Å; Q967-N969 PolarHBondContact O-N 3.33Å; Q967-N969 PolarHBondContact O-ND2 2.73Å; N969-C971 PolarHBondContact O-N 2.84Å | ||
| 970 | P | 89.2 | Confident | 83 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 18% | 0.175 | 38% | 0.383 | C | S | . | . | trans | -65.6 | -23.8 | -174.8 | 27.3 | -35.4 | 0 | 0 | 0 | 113.8 | F984 Y996 | P970-F984 HydrophobicContact CB-CD2 4.32Å; P970-F984 HydrophobicContact CB-CE1 4.16Å; P970-F984 HydrophobicContact CB-CE2 3.94Å; P970-F984 HydrophobicContact CB-CZ 3.88Å; P970-F984 HydrophobicContact CG-CD1 4.01Å; P970-F984 HydrophobicContact CG-CD2 3.67Å; P970-F984 HydrophobicContact CG-CE1 4.13Å; P970-F984 HydrophobicContact CG-CE2 3.81Å; P970-F984 HydrophobicContact CG-CG 3.82Å; P970-F984 HydrophobicContact CG-CZ 4.06Å; P970-Y996 HydrophobicContact CB-CD1 4.31Å; P970-Y996 HydrophobicContact CB-CE1 4.48Å | ||
| 971 | C | 89.5 | Confident | 82.7 | Confident | 18 Ų | 18 | 69.7 Ų | 69.7 | 12% | 0.122 | 39% | 0.393 | C | S | . | . | trans | -78.3 | 130.8 | -177.4 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | N969 G975 C977 C986 | N969-C971 PolarHBondContact O-N 2.84Å; C971-G975 VanDerWaalsContact CB-O 3.27Å; C971-G975 WeakPolarHBondContact CB-O 3.29Å; C971-C977 HydrophobicContact CB-CB 4.48Å; C971-C977 WeakPolarHBondContact SG-CA 3.27Å; C971-C977 WeakPolarHBondContact SG-CB 3.34Å; C971-C986 WeakPolarHBondContact CA-SG 3.22Å; C971-C986 HydrophobicContact CB-CB 3.83Å; C971-C986 WeakPolarHBondContact CB-SG 3.22Å; C971-C986 WeakPolarHBondContact SG-CA 3.16Å; C971-C986 WeakPolarHBondContact SG-CB 3.27Å; C971-C986 CovalentContact SG-SG 2.03Å; C971-C986 PolarHBondContact SG-SG 3.1Å | ||
| 972 | R | 87.8 | Confident | 82.6 | Confident | 162 Ų | 162 | 68.6 Ų | 68.6 | 61% | 0.611 | 39% | 0.391 | S | S | * | . | trans | -92.9 | 170.8 | -177.1 | -59.1 | -173 | 174.4 | -143.9 | -5 | 111.7 | G974 G975 Y996 | R972-G974 PolarHBondContact O-N 3Å; R972-G975 PolarHBondContact O-N 2.9Å; R972-Y996 WeakPolarHBondContact CB-O 3.33Å; R972-Y996 PolarHBondContact N-O 3.27Å | ||
| 973 | N | 83.3 | Confident | 83 | Confident | 72 Ų | 72 | 68.5 Ų | 68.5 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 19.9 | 170.3 | -61.9 | -40.8 | 0 | 0 | 0 | 115.7 | Y992 C997 | N973-Y992 HydrophobicContact CB-CD1 3.73Å; N973-Y992 HydrophobicContact CB-CD2 4.04Å; N973-Y992 HydrophobicContact CB-CE1 3.61Å; N973-Y992 HydrophobicContact CB-CE2 3.9Å; N973-Y992 HydrophobicContact CB-CG 3.95Å; N973-Y992 VanDerWaalsContact CG-CE1 3.48Å; N973-Y992 WeakPolarHBondContact ND2-CD1 3.49Å; N973-Y992 WeakPolarHBondContact ND2-CE1 3.42Å; N973-C997 PolarHBondContact ND2-O 3.14Å |
| 974 | G | 78.6 | Confident | 83.2 | Confident | 40 Ų | 40 | 68 Ų | 68 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 9.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R972 L989 | R972-G974 PolarHBondContact O-N 3Å; G974-L989 WeakPolarHBondContact O-CD1 3.43Å; G974-L989 WeakPolarHBondContact O-CG 3.23Å |
| 975 | G | 84.4 | Confident | 83.8 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 139.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C971 R972 V987 | C971-G975 VanDerWaalsContact CB-O 3.27Å; C971-G975 WeakPolarHBondContact CB-O 3.29Å; R972-G975 PolarHBondContact O-N 2.9Å; G975-V987 CarbonylContact C-O 3.6Å; G975-V987 WeakPolarHBondContact CA-O 3.47Å |
| 976 | T | 82.9 | Confident | 83.9 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127 | 179.5 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | V987 | T976-V987 PolarHBondContact N-O 3.04Å; T976-V987 PolarHBondContact O-N 3.32Å |
| 977 | C | 86.7 | Confident | 84 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 20% | 0.203 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131 | 172.3 | -164.7 | 0 | 0 | 0 | 0 | 110.5 | C966 C971 | C966-C977 WeakPolarHBondContact CA-SG 3.06Å; C966-C977 HydrophobicContact CB-CB 3.64Å; C966-C977 WeakPolarHBondContact CB-SG 3.18Å; C966-C977 WeakPolarHBondContact SG-CB 3.21Å; C966-C977 CovalentContact SG-SG 2.03Å; C966-C977 PolarHBondContact SG-SG 2.72Å; C971-C977 HydrophobicContact CB-CB 4.48Å; C971-C977 WeakPolarHBondContact SG-CA 3.27Å; C971-C977 WeakPolarHBondContact SG-CB 3.34Å |
| 978 | V | 84.1 | Confident | 84.1 | Confident | 72 Ų | 72 | 65 Ų | 65 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.3 | 171.8 | -179 | 0 | 0 | 0 | 0 | 107.7 | F984 T985 V987 | V978-F984 CarbonylContact O-C 3.53Å; V978-F984 WeakPolarHBondContact O-CA 3.46Å; V978-T985 PolarHBondContact N-O 3.15Å; V978-T985 PolarHBondContact O-N 3.04Å; V978-V987 HydrophobicContact CG2-CG2 3.75Å |
| 979 | D | 78.6 | Confident | 84.1 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | trans | -72.1 | 157.5 | -177.2 | -166.4 | 47.4 | 0 | 0 | 0 | 111.9 | E965 C966 | E965-D979 PolarHBondContact N-OD1 3.02Å; C966-D979 HydrophobicContact CB-CB 4.39Å; C966-D979 PolarHBondContact SG-N 3Å; C966-D979 VanDerWaalsContact SG-N 3.36Å | ||
| 980 | G | 80.3 | Confident | 84 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | trans | -171.6 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A982 S983 | G980-A982 PolarHBondContact O-N 2.91Å; G980-S983 CarbonylContact C-O 3.51Å; G980-S983 VanDerWaalsContact C-O 3.23Å; G980-S983 WeakPolarHBondContact CA-O 3.48Å; G980-S983 PolarHBondContact N-O 2.77Å; G980-S983 PolarHBondContact O-N 2.83Å | ||
| 981 | L | 78.9 | Confident | 83.7 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 62% | 0.618 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 105 | -171.1 | -59.2 | -178.4 | 0 | 0 | 0 | 111.5 | Y954 S983 | Y954-L981 HydrophobicContact CE2-CD2 4.48Å; Y954-L981 WeakPolarHBondContact OH-CD2 3.38Å; L981-S983 PolarHBondContact O-N 2.91Å; L981-S983 PolarHBondContact O-OG 3.43Å |
| 982 | A | 77.3 | Confident | 83.6 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 20.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | P952 E965 G980 | P952-A982 HydrophobicContact CB-CB 3.79Å; E965-A982 WeakPolarHBondContact OE1-CA 3.35Å; E965-A982 WeakPolarHBondContact OE2-CA 3.32Å; G980-A982 PolarHBondContact O-N 2.91Å |
| 983 | S | 86.8 | Confident | 83.5 | Confident | 72 Ų | 72 | 51.8 Ų | 51.8 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | trans | -167.3 | 126.8 | -178.4 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | E965 G980 L981 | E965-S983 WeakPolarHBondContact OE2-CA 3.48Å; E965-S983 PolarHBondContact OE2-N 3.18Å; G980-S983 CarbonylContact C-O 3.51Å; G980-S983 VanDerWaalsContact C-O 3.23Å; G980-S983 WeakPolarHBondContact CA-O 3.48Å; G980-S983 PolarHBondContact N-O 2.77Å; G980-S983 PolarHBondContact O-N 2.83Å; L981-S983 PolarHBondContact O-N 2.91Å; L981-S983 PolarHBondContact O-OG 3.43Å | ||
| 984 | F | 87.8 | Confident | 83.7 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 23% | 0.232 | 33% | 0.325 | C | S | . | . | trans | -86.2 | 163.2 | 167.9 | 66.9 | -84.2 | 0 | 0 | 0 | 111.5 | E965 P970 V978 Y996 | E965-F984 HydrophobicContact CB-CB 4.37Å; E965-F984 HydrophobicContact CB-CD1 4.21Å; P970-F984 HydrophobicContact CB-CD2 4.32Å; P970-F984 HydrophobicContact CB-CE1 4.16Å; P970-F984 HydrophobicContact CB-CE2 3.94Å; P970-F984 HydrophobicContact CB-CZ 3.88Å; P970-F984 HydrophobicContact CG-CD1 4.01Å; P970-F984 HydrophobicContact CG-CD2 3.67Å; P970-F984 HydrophobicContact CG-CE1 4.13Å; P970-F984 HydrophobicContact CG-CE2 3.81Å; P970-F984 HydrophobicContact CG-CG 3.82Å; P970-F984 HydrophobicContact CG-CZ 4.06Å; V978-F984 CarbonylContact O-C 3.53Å; V978-F984 WeakPolarHBondContact O-CA 3.46Å; F984-Y996 HydrophobicContact CE1-CE1 4.45Å; F984-Y996 HydrophobicContact CE2-CD1 4.23Å; F984-Y996 HydrophobicContact CE2-CE1 4.18Å; F984-Y996 AromaticContact CZ-CD1 3.99Å; F984-Y996 HydrophobicContact CZ-CD1 3.99Å; F984-Y996 AromaticContact CZ-CE1 3.49Å; F984-Y996 HydrophobicContact CZ-CE1 3.49Å; F984-Y996 VanDerWaalsContact CZ-CE1 3.49Å | ||
| 985 | T | 87.1 | Confident | 84.1 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.9 | 168.5 | -64.2 | 0 | 0 | 0 | 0 | 110.1 | V978 | V978-T985 PolarHBondContact N-O 3.15Å; V978-T985 PolarHBondContact O-N 3.04Å |
| 986 | C | 88.7 | Confident | 84.3 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 12% | 0.122 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.1 | 174.1 | -65.7 | 0 | 0 | 0 | 0 | 112 | C971 L995 C997 | C971-C986 WeakPolarHBondContact CA-SG 3.22Å; C971-C986 HydrophobicContact CB-CB 3.83Å; C971-C986 WeakPolarHBondContact CB-SG 3.22Å; C971-C986 WeakPolarHBondContact SG-CA 3.16Å; C971-C986 WeakPolarHBondContact SG-CB 3.27Å; C971-C986 CovalentContact SG-SG 2.03Å; C971-C986 PolarHBondContact SG-SG 3.1Å; C986-L995 WeakPolarHBondContact CB-O 3.28Å; C986-C997 VanDerWaalsContact CB-SG 3.57Å |
| 987 | V | 85.7 | Confident | 84.7 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 104.2 | 169.5 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | G975 T976 V978 | G975-V987 CarbonylContact C-O 3.6Å; G975-V987 WeakPolarHBondContact CA-O 3.47Å; T976-V987 PolarHBondContact N-O 3.04Å; T976-V987 PolarHBondContact O-N 3.32Å; V978-V987 HydrophobicContact CG2-CG2 3.75Å |
| 988 | C | 84.4 | Confident | 84.8 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 27% | 0.27 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 143.6 | -173.9 | -54.9 | 0 | 0 | 0 | 0 | 113.2 | Y992 C997 | C988-Y992 VanDerWaalsContact CB-O 3.29Å; C988-Y992 WeakPolarHBondContact CB-O 3.33Å; C988-C997 WeakPolarHBondContact CA-SG 3.42Å; C988-C997 HydrophobicContact CB-CB 3.76Å; C988-C997 WeakPolarHBondContact CB-SG 3.35Å; C988-C997 PolarHBondContact N-SG 2.81Å; C988-C997 WeakPolarHBondContact SG-CA 3.24Å; C988-C997 WeakPolarHBondContact SG-CB 3.25Å; C988-C997 CovalentContact SG-SG 2.04Å; C988-C997 PolarHBondContact SG-SG 3.31Å |
| 989 | L | 81.9 | Confident | 85 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 155.9 | 166.7 | -67.8 | -177 | 0 | 0 | 0 | 110.1 | G974 S991 Y992 Q1012 | G974-L989 WeakPolarHBondContact O-CD1 3.43Å; G974-L989 WeakPolarHBondContact O-CG 3.23Å; L989-S991 PolarHBondContact O-N 3.25Å; L989-Y992 HydrophobicContact CB-CD2 4.16Å; L989-Y992 PolarHBondContact O-N 3.42Å; L989-Y992 VanDerWaalsContact O-N 3.13Å; L989-Q1012 HydrophobicContact CD1-CB 3.82Å; L989-Q1012 HydrophobicContact CD1-CG 4.28Å |
| 990 | P | 79.6 | Confident | 85.4 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 142.2 | 176.9 | -23.1 | 33.1 | 0 | 0 | 0 | 111.6 | G1013 T1128 V1129 | P990-G1013 VanDerWaalsContact O-CA 3.25Å; P990-G1013 WeakPolarHBondContact O-CA 3.33Å; P990-T1128 PolarHBondContact O-OG1 2.91Å; P990-V1129 HydrophobicContact CB-CG2 3.47Å; P990-V1129 VanDerWaalsContact CB-CG2 3.47Å |
| 991 | S | 82.4 | Confident | 85.5 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 18.3 | -169.3 | 73.2 | 0 | 0 | 0 | 0 | 118 | L989 T1001 K1010 T1128 | L989-S991 PolarHBondContact O-N 3.25Å; S991-T1001 WeakPolarHBondContact CA-OG1 3.37Å; S991-T1001 PolarHBondContact O-N 2.97Å; S991-T1001 PolarHBondContact O-OG1 3.41Å; S991-K1010 PolarHBondContact O-NZ 2.92Å; S991-K1010 WeakPolarHBondContact OG-CE 3.43Å; S991-K1010 PolarHBondContact OG-NZ 3.45Å; S991-T1128 VanDerWaalsContact CB-OG1 3.28Å; S991-T1128 WeakPolarHBondContact CB-OG1 3.26Å; S991-T1128 WeakPolarHBondContact OG-CB 3.32Å; S991-T1128 WeakPolarHBondContact OG-CG2 3.35Å; S991-T1128 PolarHBondContact OG-OG1 2.89Å |
| 992 | Y | 87.5 | Confident | 85.6 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.8 | 170.4 | -63.1 | -75.5 | 0 | 0 | 0 | 112.9 | N973 C988 L989 E999 D1000 K1010 | N973-Y992 HydrophobicContact CB-CD1 3.73Å; N973-Y992 HydrophobicContact CB-CD2 4.04Å; N973-Y992 HydrophobicContact CB-CE1 3.61Å; N973-Y992 HydrophobicContact CB-CE2 3.9Å; N973-Y992 HydrophobicContact CB-CG 3.95Å; N973-Y992 VanDerWaalsContact CG-CE1 3.48Å; N973-Y992 WeakPolarHBondContact ND2-CD1 3.49Å; N973-Y992 WeakPolarHBondContact ND2-CE1 3.42Å; C988-Y992 VanDerWaalsContact CB-O 3.29Å; C988-Y992 WeakPolarHBondContact CB-O 3.33Å; L989-Y992 HydrophobicContact CB-CD2 4.16Å; L989-Y992 PolarHBondContact O-N 3.42Å; L989-Y992 VanDerWaalsContact O-N 3.13Å; Y992-E999 CarbonylContact C-O 3.56Å; Y992-E999 VanDerWaalsContact CA-O 3.25Å; Y992-E999 WeakPolarHBondContact CA-O 3.29Å; Y992-D1000 HydrophobicContact CD1-CB 4.27Å; Y992-D1000 HydrophobicContact CE1-CB 4.05Å; Y992-D1000 VanDerWaalsContact CE1-OD2 3.27Å; Y992-D1000 WeakPolarHBondContact CE1-OD2 3.21Å; Y992-K1010 VanDerWaalsContact OH-CE 3.27Å; Y992-K1010 WeakPolarHBondContact OH-CE 3.5Å |
| 993 | S | 86.2 | Confident | 86 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 25% | 0.252 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | -171.6 | 177.3 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | C997 E998 E999 T1001 | S993-C997 CarbonylContact O-C 3.5Å; S993-C997 WeakPolarHBondContact O-CA 3.32Å; S993-E998 PolarHBondContact O-N 2.7Å; S993-E998 VanDerWaalsContact O-N 3.12Å; S993-E999 PolarHBondContact N-O 2.77Å; S993-E999 WeakPolarHBondContact O-CB 3.35Å; S993-E999 PolarHBondContact O-N 2.9Å; S993-E999 VanDerWaalsContact OG-CD 3.25Å; S993-E999 WeakPolarHBondContact OG-CG 3.49Å; S993-E999 PolarHBondContact OG-OE2 3.19Å; S993-T1001 WeakPolarHBondContact OG-CG2 3.43Å |
| 994 | G | 88.2 | Confident | 86.1 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 89.4 | 173.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y996 E998 | G994-Y996 VanDerWaalsContact C-N 3.3Å; G994-E998 VanDerWaalsContact C-OE2 3.27Å; G994-E998 WeakPolarHBondContact CA-OE2 3.2Å |
| 995 | L | 86.7 | Confident | 86.1 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 73% | 0.728 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -22.8 | -175.3 | -68.6 | 173.6 | 0 | 0 | 0 | 112.9 | C986 E998 | C986-L995 WeakPolarHBondContact CB-O 3.28Å; L995-E998 PolarHBondContact N-OE1 2.99Å; L995-E998 PolarHBondContact N-OE2 3.13Å; L995-E998 VanDerWaalsContact N-OE2 3.14Å |
| 996 | Y | 89.3 | Confident | 86.2 | Confident | 104 Ų | 104 | 71.1 Ų | 71.1 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 12.3 | -179.6 | -57.1 | -95.7 | 0 | 0 | 0 | 111.4 | P970 R972 F984 G994 E998 | P970-Y996 HydrophobicContact CB-CD1 4.31Å; P970-Y996 HydrophobicContact CB-CE1 4.48Å; R972-Y996 WeakPolarHBondContact CB-O 3.33Å; R972-Y996 PolarHBondContact N-O 3.27Å; F984-Y996 HydrophobicContact CE1-CE1 4.45Å; F984-Y996 HydrophobicContact CE2-CD1 4.23Å; F984-Y996 HydrophobicContact CE2-CE1 4.18Å; F984-Y996 AromaticContact CZ-CD1 3.99Å; F984-Y996 HydrophobicContact CZ-CD1 3.99Å; F984-Y996 AromaticContact CZ-CE1 3.49Å; F984-Y996 HydrophobicContact CZ-CE1 3.49Å; F984-Y996 VanDerWaalsContact CZ-CE1 3.49Å; G994-Y996 VanDerWaalsContact C-N 3.3Å; Y996-E998 VanDerWaalsContact C-OE2 3.28Å; Y996-E998 VanDerWaalsContact CA-OE2 3.26Å; Y996-E998 WeakPolarHBondContact CA-OE2 3.47Å; Y996-E998 WeakPolarHBondContact CB-OE2 3.44Å; Y996-E998 PolarHBondContact N-OE2 2.88Å; Y996-E998 PolarHBondContact O-N 2.91Å |
| 997 | C | 89.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 58.2 | 32.1 | -170.9 | -48.7 | 0 | 0 | 0 | 0 | 113.5 | N973 C986 C988 S993 | N973-C997 PolarHBondContact ND2-O 3.14Å; C986-C997 VanDerWaalsContact CB-SG 3.57Å; C988-C997 WeakPolarHBondContact CA-SG 3.42Å; C988-C997 HydrophobicContact CB-CB 3.76Å; C988-C997 WeakPolarHBondContact CB-SG 3.35Å; C988-C997 PolarHBondContact N-SG 2.81Å; C988-C997 WeakPolarHBondContact SG-CA 3.24Å; C988-C997 WeakPolarHBondContact SG-CB 3.25Å; C988-C997 CovalentContact SG-SG 2.04Å; C988-C997 PolarHBondContact SG-SG 3.31Å; S993-C997 CarbonylContact O-C 3.5Å; S993-C997 WeakPolarHBondContact O-CA 3.32Å |
| 998 | E | 90.8 | Very high | 86.8 | Confident | 89 Ų | 89 | 69 Ų | 69 | 42% | 0.416 | 37% | 0.367 | S | S | . | . | trans | -81.3 | -24.2 | -175.1 | 71.8 | -82.4 | -156.6 | 0 | 0 | 114.3 | S993 G994 L995 Y996 | S993-E998 PolarHBondContact O-N 2.7Å; S993-E998 VanDerWaalsContact O-N 3.12Å; G994-E998 VanDerWaalsContact C-OE2 3.27Å; G994-E998 WeakPolarHBondContact CA-OE2 3.2Å; L995-E998 PolarHBondContact N-OE1 2.99Å; L995-E998 PolarHBondContact N-OE2 3.13Å; L995-E998 VanDerWaalsContact N-OE2 3.14Å; Y996-E998 VanDerWaalsContact C-OE2 3.28Å; Y996-E998 VanDerWaalsContact CA-OE2 3.26Å; Y996-E998 WeakPolarHBondContact CA-OE2 3.47Å; Y996-E998 WeakPolarHBondContact CB-OE2 3.44Å; Y996-E998 PolarHBondContact N-OE2 2.88Å; Y996-E998 PolarHBondContact O-N 2.91Å | ||
| 999 | E | 88 | Confident | 87.2 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.5 | -179.5 | -177.6 | 180 | -150.8 | 0 | 0 | 109.9 | Y992 S993 | Y992-E999 CarbonylContact C-O 3.56Å; Y992-E999 VanDerWaalsContact CA-O 3.25Å; Y992-E999 WeakPolarHBondContact CA-O 3.29Å; S993-E999 PolarHBondContact N-O 2.77Å; S993-E999 WeakPolarHBondContact O-CB 3.35Å; S993-E999 PolarHBondContact O-N 2.9Å; S993-E999 VanDerWaalsContact OG-CD 3.25Å; S993-E999 WeakPolarHBondContact OG-CG 3.49Å; S993-E999 PolarHBondContact OG-OE2 3.19Å |
| 1000 | D | 85.8 | Confident | 87.6 | Confident | 75 Ų | 75 | 72 Ų | 72 | 40% | 0.401 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.3 | 175.6 | -169.1 | -49.6 | 0 | 0 | 0 | 109.1 | Y992 E1002 K1010 | Y992-D1000 HydrophobicContact CD1-CB 4.27Å; Y992-D1000 HydrophobicContact CE1-CB 4.05Å; Y992-D1000 VanDerWaalsContact CE1-OD2 3.27Å; Y992-D1000 WeakPolarHBondContact CE1-OD2 3.21Å; D1000-E1002 PolarHBondContact OD1-N 3.29Å; D1000-K1010 IonicContact OD1-NZ 2.71Å; D1000-K1010 PolarHBondContact OD1-NZ 2.86Å; D1000-K1010 WeakPolarHBondContact OD2-CD 3.15Å; D1000-K1010 WeakPolarHBondContact OD2-CE 3.43Å; D1000-K1010 IonicContact OD2-NZ 3.74Å; D1000-K1010 PolarHBondContact OD2-NZ 2.64Å |
| 1001 | T | 83.7 | Confident | 88.1 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | trans | -98.4 | -16.8 | -171.8 | 71.9 | 0 | 0 | 0 | 0 | 114.4 | S991 S993 | S991-T1001 WeakPolarHBondContact CA-OG1 3.37Å; S991-T1001 PolarHBondContact O-N 2.97Å; S991-T1001 PolarHBondContact O-OG1 3.41Å; S993-T1001 WeakPolarHBondContact OG-CG2 3.43Å | ||
| 1002 | E | 80.9 | Confident | 88.4 | Confident | 100 Ų | 100 | 74.3 Ų | 74.3 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | trans | -146.4 | 119.7 | -174.5 | -60.3 | -72.3 | 178.6 | 0 | 0 | 110.8 | D1000 K1010 V1129 | D1000-E1002 PolarHBondContact OD1-N 3.29Å; E1002-K1010 PolarHBondContact O-NZ 3.06Å; E1002-V1129 HydrophobicContact CG-CG1 3.89Å | ||
| 1003 | T | 84.3 | Confident | 88.2 | Confident | 124 Ų | 124 | 73 Ų | 73 | 76% | 0.761 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -90 | 147.6 | 177.2 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1004 | C | 88.7 | Confident | 88.3 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 153.1 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | W1008 K1010 C1015 | C1004-W1008 HydrophobicContact CB-CB 3.73Å; C1004-K1010 VanDerWaalsContact SG-CB 3.58Å; C1004-C1015 VanDerWaalsContact CA-SG 3.59Å; C1004-C1015 HydrophobicContact CB-CB 3.79Å; C1004-C1015 WeakPolarHBondContact CB-SG 3.31Å; C1004-C1015 VanDerWaalsContact SG-CA 3.5Å; C1004-C1015 WeakPolarHBondContact SG-CB 3.26Å; C1004-C1015 CovalentContact SG-SG 2.03Å; C1004-C1015 PolarHBondContact SG-SG 3.49Å |
| 1005 | D | 88.4 | Confident | 88.6 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 164.3 | 178.1 | -47 | -70.2 | 0 | 0 | 0 | 112.8 | G1007 W1008 K1126 | D1005-G1007 PolarHBondContact O-N 3.4Å; D1005-W1008 HydrophobicContact CB-CG 4.48Å; D1005-W1008 WeakPolarHBondContact O-CB 3.41Å; D1005-W1008 PolarHBondContact O-N 2.94Å; D1005-K1126 WeakPolarHBondContact OD2-CE 3.39Å; D1005-K1126 IonicContact OD2-NZ 3.47Å; D1005-K1126 PolarHBondContact OD2-NZ 3.48Å |
| 1006 | Y | 89.8 | Confident | 89.1 | Confident | 226 Ų | 226 | 66 Ų | 66 | 89% | 0.886 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128.6 | 178.9 | -178.4 | -96.3 | 0 | 0 | 0 | 113.3 | W1008 K1017 | Y1006-W1008 VanDerWaalsContact C-N 3.31Å; Y1006-K1017 PolarHBondContact O-NZ 2.88Å |
| 1007 | G | 91.2 | Very high | 89.4 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 15.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1005 K1017 | D1005-G1007 PolarHBondContact O-N 3.4Å; G1007-K1017 VanDerWaalsContact O-CD 3.26Å; G1007-K1017 WeakPolarHBondContact O-CD 3.1Å; G1007-K1017 WeakPolarHBondContact O-CE 3.21Å; G1007-K1017 VanDerWaalsContact O-CG 3.26Å; G1007-K1017 WeakPolarHBondContact O-CG 3.4Å |
| 1008 | W | 94.8 | Very high | 89.8 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | trans | -107.9 | 145.4 | 164.4 | -65.1 | 76.7 | 0 | 0 | 0 | 110.1 | C1004 D1005 Y1006 C1015 Y1016 K1017 Q1035 A1037 C1124 K1126 | C1004-W1008 HydrophobicContact CB-CB 3.73Å; D1005-W1008 HydrophobicContact CB-CG 4.48Å; D1005-W1008 WeakPolarHBondContact O-CB 3.41Å; D1005-W1008 PolarHBondContact O-N 2.94Å; Y1006-W1008 VanDerWaalsContact C-N 3.31Å; W1008-C1015 HydrophobicContact CB-CB 4.32Å; W1008-C1015 HydrophobicContact CE3-CB 3.95Å; W1008-Y1016 CarbonylContact C-O 3.43Å; W1008-Y1016 WeakPolarHBondContact CA-O 3.39Å; W1008-K1017 HydrophobicContact CD2-CB 3.56Å; W1008-K1017 HydrophobicContact CD2-CD 3.88Å; W1008-K1017 HydrophobicContact CD2-CG 4.38Å; W1008-K1017 VanDerWaalsContact CE2-CD 3.5Å; W1008-K1017 HydrophobicContact CE3-CB 3.52Å; W1008-K1017 HydrophobicContact CG-CB 4.09Å; W1008-K1017 HydrophobicContact CG-CD 4.01Å; W1008-K1017 HydrophobicContact CH2-CB 4.04Å; W1008-K1017 HydrophobicContact CZ2-CB 4.09Å; W1008-K1017 HydrophobicContact CZ2-CD 3.92Å; W1008-K1017 HydrophobicContact CZ3-CB 3.78Å; W1008-Q1035 HydrophobicContact CH2-CB 4.22Å; W1008-Q1035 HydrophobicContact CZ2-CB 3.83Å; W1008-Q1035 HydrophobicContact CZ2-CG 4.43Å; W1008-A1037 HydrophobicContact CH2-CB 3.68Å; W1008-A1037 HydrophobicContact CZ3-CB 4.2Å; W1008-C1124 HydrophobicContact CH2-CB 3.88Å; W1008-C1124 HydrophobicContact CZ3-CB 4.15Å; W1008-K1126 HydrophobicContact CE3-CG 4.31Å; W1008-K1126 HydrophobicContact CH2-CD 4.2Å; W1008-K1126 HydrophobicContact CH2-CG 4.38Å; W1008-K1126 HydrophobicContact CZ3-CD 4.22Å; W1008-K1126 HydrophobicContact CZ3-CG 3.95Å | ||
| 1009 | H | 93.8 | Very high | 90.1 | Very high | 99 Ų | 99 | 62.1 Ų | 62.1 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.5 | -178.1 | -58.1 | -91.2 | 0 | 0 | 0 | 109.5 | Y1016 F1050 L1054 | H1009-Y1016 PolarHBondContact N-O 3.23Å; H1009-Y1016 PolarHBondContact O-N 2.81Å; H1009-F1050 HydrophobicContact CB-CZ 3.95Å; H1009-L1054 HydrophobicContact CB-CD2 4.06Å |
| 1010 | K | 90.6 | Very high | 90.4 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 133.9 | -178.9 | -166.5 | 173 | -178.9 | 176.6 | 0 | 111.3 | S991 Y992 D1000 E1002 C1004 H1014 T1128 | S991-K1010 PolarHBondContact O-NZ 2.92Å; S991-K1010 WeakPolarHBondContact OG-CE 3.43Å; S991-K1010 PolarHBondContact OG-NZ 3.45Å; Y992-K1010 VanDerWaalsContact OH-CE 3.27Å; Y992-K1010 WeakPolarHBondContact OH-CE 3.5Å; D1000-K1010 IonicContact OD1-NZ 2.71Å; D1000-K1010 PolarHBondContact OD1-NZ 2.86Å; D1000-K1010 WeakPolarHBondContact OD2-CD 3.15Å; D1000-K1010 WeakPolarHBondContact OD2-CE 3.43Å; D1000-K1010 IonicContact OD2-NZ 3.74Å; D1000-K1010 PolarHBondContact OD2-NZ 2.64Å; E1002-K1010 PolarHBondContact O-NZ 3.06Å; C1004-K1010 VanDerWaalsContact SG-CB 3.58Å; K1010-H1014 WeakPolarHBondContact CA-O 3.45Å; K1010-T1128 HydrophobicContact CD-CG2 4.29Å; K1010-T1128 HydrophobicContact CG-CG2 4.21Å |
| 1011 | F | 90.1 | Very high | 90.9 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 130.5 | 171.3 | 179.2 | -94.4 | 0 | 0 | 0 | 110.7 | G1013 H1014 Y1016 E1046 E1047 F1050 | F1011-G1013 PolarHBondContact O-N 2.96Å; F1011-H1014 PolarHBondContact N-O 3.32Å; F1011-H1014 PolarHBondContact O-N 3.34Å; F1011-Y1016 HydrophobicContact CB-CD2 4.18Å; F1011-Y1016 HydrophobicContact CB-CE2 3.75Å; F1011-Y1016 HydrophobicContact CD1-CE2 4.33Å; F1011-Y1016 WeakPolarHBondContact O-CE2 3.42Å; F1011-E1046 HydrophobicContact CZ-CB 4Å; F1011-E1047 HydrophobicContact CE1-CB 3.91Å; F1011-E1047 HydrophobicContact CE1-CG 4.39Å; F1011-F1050 HydrophobicContact CB-CD1 3.72Å; F1011-F1050 HydrophobicContact CB-CD2 4.02Å; F1011-F1050 HydrophobicContact CB-CE1 3.52Å; F1011-F1050 HydrophobicContact CB-CE2 3.82Å; F1011-F1050 HydrophobicContact CB-CG 3.97Å; F1011-F1050 HydrophobicContact CB-CZ 3.57Å; F1011-F1050 HydrophobicContact CD1-CB 4.28Å; F1011-F1050 HydrophobicContact CD1-CD1 4.02Å; F1011-F1050 HydrophobicContact CD1-CG 4.11Å; F1011-F1050 HydrophobicContact CD2-CB 4.02Å; F1011-F1050 HydrophobicContact CD2-CD1 4.27Å; F1011-F1050 AromaticContact CD2-CD2 3.62Å; F1011-F1050 HydrophobicContact CD2-CD2 3.62Å; F1011-F1050 HydrophobicContact CD2-CE2 4.15Å; F1011-F1050 AromaticContact CD2-CG 3.69Å; F1011-F1050 HydrophobicContact CD2-CG 3.69Å; F1011-F1050 HydrophobicContact CE1-CB 4.26Å; F1011-F1050 HydrophobicContact CE2-CB 3.99Å; F1011-F1050 HydrophobicContact CE2-CD2 4.28Å; F1011-F1050 HydrophobicContact CE2-CG 4.18Å; F1011-F1050 HydrophobicContact CG-CB 4.17Å; F1011-F1050 AromaticContact CG-CD1 3.75Å; F1011-F1050 HydrophobicContact CG-CD1 3.75Å; F1011-F1050 AromaticContact CG-CD2 3.9Å; F1011-F1050 HydrophobicContact CG-CD2 3.9Å; F1011-F1050 HydrophobicContact CG-CE1 4.09Å; F1011-F1050 HydrophobicContact CG-CE2 4.23Å; F1011-F1050 AromaticContact CG-CG 3.65Å; F1011-F1050 HydrophobicContact CG-CG 3.65Å; F1011-F1050 HydrophobicContact CG-CZ 4.32Å; F1011-F1050 HydrophobicContact CZ-CB 4.11Å |
| 1012 | Q | 87.5 | Confident | 91.6 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 29% | 0.29 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.8 | 54.6 | 176.2 | -67.1 | -177.6 | -7.7 | 0 | 0 | 114.1 | L989 H1014 | L989-Q1012 HydrophobicContact CD1-CB 3.82Å; L989-Q1012 HydrophobicContact CD1-CG 4.28Å; Q1012-H1014 VanDerWaalsContact C-N 3.26Å; Q1012-H1014 PolarHBondContact O-N 3.25Å; Q1012-H1014 PolarHBondContact O-ND1 3.23Å |
| 1013 | G | 83.4 | Confident | 92.3 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 8.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P990 F1011 T1128 | P990-G1013 VanDerWaalsContact O-CA 3.25Å; P990-G1013 WeakPolarHBondContact O-CA 3.33Å; F1011-G1013 PolarHBondContact O-N 2.96Å; G1013-T1128 WeakPolarHBondContact O-CB 3.36Å; G1013-T1128 WeakPolarHBondContact O-CG2 3.33Å; G1013-T1128 PolarHBondContact O-N 2.77Å; G1013-T1128 VanDerWaalsContact O-N 3.12Å; G1013-T1128 PolarHBondContact O-OG1 2.79Å |
| 1014 | H | 89.8 | Confident | 92.8 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 157 | 179.5 | -63.9 | 84.4 | 0 | 0 | 0 | 111.9 | K1010 F1011 Q1012 Y1016 K1125 K1126 | K1010-H1014 WeakPolarHBondContact CA-O 3.45Å; F1011-H1014 PolarHBondContact N-O 3.32Å; F1011-H1014 PolarHBondContact O-N 3.34Å; Q1012-H1014 VanDerWaalsContact C-N 3.26Å; Q1012-H1014 PolarHBondContact O-N 3.25Å; Q1012-H1014 PolarHBondContact O-ND1 3.23Å; H1014-Y1016 HydrophobicContact CB-CD2 4.37Å; H1014-Y1016 HydrophobicContact CB-CE2 3.48Å; H1014-Y1016 VanDerWaalsContact CB-CE2 3.48Å; H1014-Y1016 WeakPolarHBondContact CB-OH 3.32Å; H1014-K1125 HydrophobicContact CB-CG 4.34Å; H1014-K1125 VanDerWaalsContact CD2-CE 3.41Å; H1014-K1125 WeakPolarHBondContact CD2-CE 3.2Å; H1014-K1126 WeakPolarHBondContact CA-O 3.23Å |
| 1015 | C | 93.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130 | 175.3 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | C1004 W1008 K1125 K1126 | C1004-C1015 VanDerWaalsContact CA-SG 3.59Å; C1004-C1015 HydrophobicContact CB-CB 3.79Å; C1004-C1015 WeakPolarHBondContact CB-SG 3.31Å; C1004-C1015 VanDerWaalsContact SG-CA 3.5Å; C1004-C1015 WeakPolarHBondContact SG-CB 3.26Å; C1004-C1015 CovalentContact SG-SG 2.03Å; C1004-C1015 PolarHBondContact SG-SG 3.49Å; W1008-C1015 HydrophobicContact CB-CB 4.32Å; W1008-C1015 HydrophobicContact CE3-CB 3.95Å; C1015-K1125 WeakPolarHBondContact O-CA 3.35Å; C1015-K1126 HydrophobicContact CB-CG 4.02Å; C1015-K1126 PolarHBondContact N-O 3.38Å; C1015-K1126 PolarHBondContact O-N 3.08Å |
| 1016 | Y | 96.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.9 | -177.2 | -54.3 | -107.3 | 0 | 0 | 0 | 111.2 | W1008 H1009 F1011 H1014 E1047 F1050 V1051 L1054 C1124 K1125 | W1008-Y1016 CarbonylContact C-O 3.43Å; W1008-Y1016 WeakPolarHBondContact CA-O 3.39Å; H1009-Y1016 PolarHBondContact N-O 3.23Å; H1009-Y1016 PolarHBondContact O-N 2.81Å; F1011-Y1016 HydrophobicContact CB-CD2 4.18Å; F1011-Y1016 HydrophobicContact CB-CE2 3.75Å; F1011-Y1016 HydrophobicContact CD1-CE2 4.33Å; F1011-Y1016 WeakPolarHBondContact O-CE2 3.42Å; H1014-Y1016 HydrophobicContact CB-CD2 4.37Å; H1014-Y1016 HydrophobicContact CB-CE2 3.48Å; H1014-Y1016 VanDerWaalsContact CB-CE2 3.48Å; H1014-Y1016 WeakPolarHBondContact CB-OH 3.32Å; Y1016-E1047 HydrophobicContact CE1-CG 4.39Å; Y1016-E1047 WeakPolarHBondContact CE1-OE1 3.49Å; Y1016-E1047 PolarHBondContact OH-OE1 2.94Å; Y1016-F1050 HydrophobicContact CD1-CE1 4.34Å; Y1016-F1050 HydrophobicContact CD2-CD1 4.3Å; Y1016-F1050 AromaticContact CD2-CE1 3.49Å; Y1016-F1050 HydrophobicContact CD2-CE1 3.49Å; Y1016-F1050 VanDerWaalsContact CD2-CE1 3.49Å; Y1016-F1050 HydrophobicContact CD2-CZ 4.29Å; Y1016-F1050 HydrophobicContact CE2-CD1 4.43Å; Y1016-F1050 AromaticContact CE2-CE1 3.99Å; Y1016-F1050 HydrophobicContact CE2-CE1 3.99Å; Y1016-F1050 HydrophobicContact CG-CD1 4.44Å; Y1016-F1050 AromaticContact CG-CE1 3.71Å; Y1016-F1050 HydrophobicContact CG-CE1 3.71Å; Y1016-V1051 HydrophobicContact CD1-CG2 4.01Å; Y1016-V1051 HydrophobicContact CE1-CG2 4.03Å; Y1016-L1054 HydrophobicContact CG-CD1 4.44Å; Y1016-C1124 CarbonylContact C-O 3.09Å; Y1016-C1124 VanDerWaalsContact CA-O 3.24Å; Y1016-C1124 WeakPolarHBondContact CA-O 3.34Å; Y1016-K1125 HydrophobicContact CD1-CB 4Å; Y1016-K1125 HydrophobicContact CD1-CD 4.34Å; Y1016-K1125 HydrophobicContact CD1-CG 3.96Å; Y1016-K1125 HydrophobicContact CE1-CB 4.12Å; Y1016-K1125 HydrophobicContact CE1-CD 3.61Å; Y1016-K1125 HydrophobicContact CE1-CG 3.63Å; Y1016-K1125 WeakPolarHBondContact OH-CE 3.16Å |
| 1017 | K | 96.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 119.8 | 177.9 | -177.8 | 163.7 | -172.7 | 167.4 | 0 | 111.6 | Y1006 G1007 W1008 F1019 T1123 C1124 | Y1006-K1017 PolarHBondContact O-NZ 2.88Å; G1007-K1017 VanDerWaalsContact O-CD 3.26Å; G1007-K1017 WeakPolarHBondContact O-CD 3.1Å; G1007-K1017 WeakPolarHBondContact O-CE 3.21Å; G1007-K1017 VanDerWaalsContact O-CG 3.26Å; G1007-K1017 WeakPolarHBondContact O-CG 3.4Å; W1008-K1017 HydrophobicContact CD2-CB 3.56Å; W1008-K1017 HydrophobicContact CD2-CD 3.88Å; W1008-K1017 HydrophobicContact CD2-CG 4.38Å; W1008-K1017 VanDerWaalsContact CE2-CD 3.5Å; W1008-K1017 HydrophobicContact CE3-CB 3.52Å; W1008-K1017 HydrophobicContact CG-CB 4.09Å; W1008-K1017 HydrophobicContact CG-CD 4.01Å; W1008-K1017 HydrophobicContact CH2-CB 4.04Å; W1008-K1017 HydrophobicContact CZ2-CB 4.09Å; W1008-K1017 HydrophobicContact CZ2-CD 3.92Å; W1008-K1017 HydrophobicContact CZ3-CB 3.78Å; K1017-F1019 HydrophobicContact CB-CE2 3.97Å; K1017-F1019 HydrophobicContact CD-CE2 3.91Å; K1017-F1019 HydrophobicContact CD-CZ 3.84Å; K1017-F1019 HydrophobicContact CG-CD2 4.12Å; K1017-F1019 HydrophobicContact CG-CE2 3.58Å; K1017-F1019 HydrophobicContact CG-CZ 4.01Å; K1017-F1019 WeakPolarHBondContact O-CD2 3.32Å; K1017-T1123 WeakPolarHBondContact O-CA 3.48Å; K1017-C1124 PolarHBondContact N-O 3.49Å; K1017-C1124 PolarHBondContact O-N 3Å |
| 1018 | F | 97 | Very high | 93.5 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 21% | 0.206 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.8 | 172.4 | 176.8 | -106.9 | 0 | 0 | 0 | 110.6 | P1020 L1054 Q1059 T1121 | F1018-P1020 HydrophobicContact CE1-CB 3.94Å; F1018-L1054 HydrophobicContact CB-CB 4.22Å; F1018-Q1059 HydrophobicContact CE2-CB 4.48Å; F1018-T1121 HydrophobicContact CE2-CG2 4.44Å; F1018-T1121 WeakPolarHBondContact CE2-OG1 3.39Å; F1018-T1121 HydrophobicContact CZ-CG2 4.03Å |
| 1019 | F | 96.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 111 | 175.8 | -73.4 | -99.7 | 0 | 0 | 0 | 109.1 | K1017 Q1021 E1031 Q1035 T1121 F1122 C1124 | K1017-F1019 HydrophobicContact CB-CE2 3.97Å; K1017-F1019 HydrophobicContact CD-CE2 3.91Å; K1017-F1019 HydrophobicContact CD-CZ 3.84Å; K1017-F1019 HydrophobicContact CG-CD2 4.12Å; K1017-F1019 HydrophobicContact CG-CE2 3.58Å; K1017-F1019 HydrophobicContact CG-CZ 4.01Å; K1017-F1019 WeakPolarHBondContact O-CD2 3.32Å; F1019-Q1021 PolarHBondContact O-N 3.12Å; F1019-Q1021 VanDerWaalsContact O-N 3.15Å; F1019-E1031 HydrophobicContact CE1-CG 4.34Å; F1019-Q1035 HydrophobicContact CZ-CG 4.12Å; F1019-T1121 WeakPolarHBondContact O-CB 3.39Å; F1019-F1122 HydrophobicContact CB-CD1 4.07Å; F1019-F1122 HydrophobicContact CB-CD2 3.88Å; F1019-F1122 HydrophobicContact CB-CE1 3.75Å; F1019-F1122 HydrophobicContact CB-CE2 3.54Å; F1019-F1122 HydrophobicContact CB-CG 4.12Å; F1019-F1122 HydrophobicContact CB-CZ 3.47Å; F1019-F1122 VanDerWaalsContact CB-CZ 3.47Å; F1019-F1122 HydrophobicContact CD1-CE2 4.16Å; F1019-F1122 HydrophobicContact CD1-CZ 4.09Å; F1019-F1122 AromaticContact CD2-CD2 3.98Å; F1019-F1122 HydrophobicContact CD2-CD2 3.98Å; F1019-F1122 AromaticContact CD2-CE2 3.6Å; F1019-F1122 HydrophobicContact CD2-CE2 3.6Å; F1019-F1122 HydrophobicContact CD2-CZ 4.29Å; F1019-F1122 HydrophobicContact CE2-CE2 4.34Å; F1019-F1122 HydrophobicContact CG-CD2 4.12Å; F1019-F1122 HydrophobicContact CG-CE1 4.48Å; F1019-F1122 AromaticContact CG-CE2 3.51Å; F1019-F1122 HydrophobicContact CG-CE2 3.51Å; F1019-F1122 AromaticContact CG-CZ 3.71Å; F1019-F1122 HydrophobicContact CG-CZ 3.71Å; F1019-F1122 PolarHBondContact N-O 2.87Å; F1019-F1122 PolarHBondContact O-N 3.14Å; F1019-C1124 HydrophobicContact CE2-CB 4.12Å; F1019-C1124 WeakPolarHBondContact CE2-SG 3.26Å |
| 1020 | P | 95.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 43.8 Ų | 43.8 | 62% | 0.617 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 0.8 | 177.4 | 31.3 | -36.3 | 0 | 0 | 0 | 113.3 | F1018 | F1018-P1020 HydrophobicContact CE1-CB 3.94Å |
| 1021 | Q | 95.9 | Very high | 93.3 | Very high | 109 Ų | 109 | 43.3 Ų | 43.3 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 122.5 | 178.1 | -63.9 | 176 | 2.8 | 0 | 0 | 109.4 | F1019 F1122 | F1019-Q1021 PolarHBondContact O-N 3.12Å; F1019-Q1021 VanDerWaalsContact O-N 3.15Å; Q1021-F1122 VanDerWaalsContact O-CE1 3.23Å; Q1021-F1122 WeakPolarHBondContact O-CE1 3.39Å |
| 1022 | R | 97.4 | Very high | 93.4 | Very high | 122 Ų | 122 | 41.4 Ų | 41.4 | 46% | 0.46 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.6 | -178 | -74.5 | 177.5 | 169.9 | -100.4 | 3.9 | 112 | D1057 H1119 L1120 T1121 | R1022-D1057 IonicContact CZ-OD1 2.71Å; R1022-D1057 IonicContact CZ-OD2 2.64Å; R1022-D1057 IonicContact NE-OD2 3.2Å; R1022-D1057 IonicContact NH2-OD1 3.87Å; R1022-D1057 PolarHBondContact NH2-OD1 3.04Å; R1022-D1057 IonicContact NH2-OD2 2.91Å; R1022-D1057 PolarHBondContact NH2-OD2 2.97Å; R1022-H1119 HydrophobicContact CB-CB 4.31Å; R1022-H1119 WeakPolarHBondContact CD-O 3.42Å; R1022-H1119 PolarHBondContact NH1-O 3.05Å; R1022-L1120 CarbonylContact C-O 3.59Å; R1022-L1120 VanDerWaalsContact CA-O 3.28Å; R1022-L1120 WeakPolarHBondContact CA-O 3.49Å; R1022-T1121 HydrophobicContact CG-CG2 4.13Å |
| 1023 | K | 96.7 | Very high | 93.3 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 153.6 | -179 | -61.9 | -169.8 | -176.4 | -164.5 | 0 | 111.3 | S1027 A1028 E1031 W1060 L1120 F1122 | K1023-S1027 WeakPolarHBondContact CD-O 3.48Å; K1023-A1028 HydrophobicContact CB-CB 4.33Å; K1023-E1031 IonicContact NZ-OE2 2.87Å; K1023-E1031 PolarHBondContact NZ-OE2 3.28Å; K1023-W1060 PolarHBondContact O-NE1 2.9Å; K1023-L1120 PolarHBondContact N-O 2.98Å; K1023-L1120 PolarHBondContact O-N 3.34Å; K1023-F1122 HydrophobicContact CB-CE1 4.24Å; K1023-F1122 HydrophobicContact CD-CE1 3.87Å; K1023-F1122 HydrophobicContact CD-CZ 4.11Å; K1023-F1122 HydrophobicContact CG-CE1 3.98Å |
| 1024 | G | 94.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 47 Ų | 47 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | trans | -61.7 | 150.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1026 S1027 A1028 Y1118 | G1024-D1026 PolarHBondContact O-N 3.47Å; G1024-S1027 CarbonylContact O-C 3.58Å; G1024-S1027 WeakPolarHBondContact O-CA 3.09Å; G1024-S1027 WeakPolarHBondContact O-CB 3.45Å; G1024-S1027 PolarHBondContact O-N 3.23Å; G1024-A1028 PolarHBondContact O-N 3.39Å; G1024-Y1118 WeakPolarHBondContact CA-O 3.45Å | ||
| 1025 | W | 95.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.5 | -47.1 | -168.4 | -173.9 | 96.9 | 0 | 0 | 0 | 113.1 | S1027 A1028 E1029 L1039 W1060 V1061 N1064 T1075 C1100 C1116 | W1025-S1027 PolarHBondContact O-N 3Å; W1025-S1027 VanDerWaalsContact O-N 3.14Å; W1025-A1028 WeakPolarHBondContact O-CB 3.26Å; W1025-A1028 PolarHBondContact O-N 2.8Å; W1025-E1029 PolarHBondContact O-N 2.76Å; W1025-L1039 HydrophobicContact CD2-CD1 4.04Å; W1025-L1039 HydrophobicContact CG-CD1 4.13Å; W1025-L1039 HydrophobicContact CZ2-CD1 4.18Å; W1025-W1060 HydrophobicContact CB-CD2 4.05Å; W1025-W1060 HydrophobicContact CB-CE3 4.45Å; W1025-W1060 HydrophobicContact CB-CG 4.43Å; W1025-W1060 HydrophobicContact CB-CH2 4.38Å; W1025-W1060 HydrophobicContact CB-CZ2 3.97Å; W1025-W1060 AromaticContact CD1-CD2 3.62Å; W1025-W1060 AromaticContact CD1-CE3 3.57Å; W1025-W1060 AromaticContact CD1-CG 3.84Å; W1025-W1060 HydrophobicContact CG-CD2 4.24Å; W1025-W1060 HydrophobicContact CG-CE3 4.4Å; W1025-W1060 HydrophobicContact CG-CG 4.49Å; W1025-V1061 PolarHBondContact NE1-O 3.3Å; W1025-N1064 HydrophobicContact CH2-CB 3.79Å; W1025-N1064 VanDerWaalsContact CH2-CG 3.47Å; W1025-N1064 HydrophobicContact CZ2-CB 3.6Å; W1025-T1075 HydrophobicContact CH2-CG2 3.26Å; W1025-T1075 HydrophobicContact CZ2-CG2 3.41Å; W1025-T1075 VanDerWaalsContact CZ2-CG2 3.41Å; W1025-T1075 HydrophobicContact CZ3-CG2 4.37Å; W1025-C1100 HydrophobicContact CB-CB 4.2Å; W1025-C1100 HydrophobicContact CD2-CB 4.29Å; W1025-C1100 HydrophobicContact CG-CB 3.86Å; W1025-C1116 HydrophobicContact CB-CB 4.16Å; W1025-C1116 PolarHBondContact N-O 2.92Å |
| 1026 | D | 88.4 | Confident | 92.7 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.7 | -26.8 | 176.3 | -69.8 | -29.3 | 0 | 0 | 0 | 113.6 | H42 G1024 R1030 K1066 | H42-D1026 IonicContact NE2-OD1 3.44Å; G1024-D1026 PolarHBondContact O-N 3.47Å; D1026-R1030 WeakPolarHBondContact O-CB 3.4Å; D1026-R1030 PolarHBondContact O-N 3.4Å; D1026-R1030 PolarHBondContact O-NH1 3.49Å; D1026-K1066 IonicContact OD1-NZ 2.92Å; D1026-K1066 PolarHBondContact OD1-NZ 3.1Å; D1026-K1066 IonicContact OD2-NZ 3.98Å; D1026-K1066 PolarHBondContact OD2-NZ 3.45Å |
| 1027 | S | 93.2 | Very high | 92.3 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -91.1 | -18 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 112.8 | K1023 G1024 W1025 E1031 | K1023-S1027 WeakPolarHBondContact CD-O 3.48Å; G1024-S1027 CarbonylContact O-C 3.58Å; G1024-S1027 WeakPolarHBondContact O-CA 3.09Å; G1024-S1027 WeakPolarHBondContact O-CB 3.45Å; G1024-S1027 PolarHBondContact O-N 3.23Å; W1025-S1027 PolarHBondContact O-N 3Å; W1025-S1027 VanDerWaalsContact O-N 3.14Å; S1027-E1031 PolarHBondContact O-N 3.01Å |
| 1028 | A | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.3 | -47.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K1023 G1024 W1025 R1030 E1031 C1032 L1039 F1122 | K1023-A1028 HydrophobicContact CB-CB 4.33Å; G1024-A1028 PolarHBondContact O-N 3.39Å; W1025-A1028 WeakPolarHBondContact O-CB 3.26Å; W1025-A1028 PolarHBondContact O-N 2.8Å; A1028-R1030 VanDerWaalsContact C-N 3.32Å; A1028-R1030 PolarHBondContact O-N 3.03Å; A1028-E1031 WeakPolarHBondContact O-CB 3.35Å; A1028-E1031 PolarHBondContact O-N 3.2Å; A1028-E1031 VanDerWaalsContact O-N 3.1Å; A1028-C1032 PolarHBondContact O-N 3.4Å; A1028-C1032 PolarHBondContact O-SG 3.17Å; A1028-C1032 VanDerWaalsContact O-SG 3.41Å; A1028-L1039 HydrophobicContact CB-CD1 4.42Å; A1028-L1039 HydrophobicContact CB-CD2 4Å; A1028-F1122 HydrophobicContact CB-CB 3.95Å; A1028-F1122 HydrophobicContact CB-CD1 3.66Å; A1028-F1122 HydrophobicContact CB-CD2 3.99Å; A1028-F1122 HydrophobicContact CB-CE1 4.08Å; A1028-F1122 HydrophobicContact CB-CE2 4.37Å; A1028-F1122 HydrophobicContact CB-CG 3.62Å; A1028-F1122 HydrophobicContact CB-CZ 4.42Å |
| 1029 | E | 93.2 | Very high | 92 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -41.5 | 172.7 | 174.5 | 63.8 | -169.4 | 0 | 0 | 111.8 | W1025 E1031 C1032 R1033 H1038 L1039 T1075 | W1025-E1029 PolarHBondContact O-N 2.76Å; E1029-E1031 PolarHBondContact O-N 3.28Å; E1029-C1032 PolarHBondContact O-N 2.84Å; E1029-R1033 WeakPolarHBondContact O-CG 3.43Å; E1029-R1033 PolarHBondContact O-N 3.04Å; E1029-R1033 IonicContact OE1-CZ 2.69Å; E1029-R1033 IonicContact OE1-NE 3.75Å; E1029-R1033 PolarHBondContact OE1-NE 3.11Å; E1029-R1033 IonicContact OE1-NH2 2.98Å; E1029-R1033 PolarHBondContact OE1-NH2 2.78Å; E1029-H1038 IonicContact OE1-CE1 3.51Å; E1029-H1038 IonicContact OE1-CG 2.7Å; E1029-H1038 IonicContact OE1-ND1 3.22Å; E1029-H1038 PolarHBondContact OE1-ND1 2.86Å; E1029-H1038 IonicContact OE2-ND1 3.63Å; E1029-L1039 HydrophobicContact CB-CD1 3.84Å; E1029-L1039 HydrophobicContact CB-CG 4.1Å; E1029-L1039 WeakPolarHBondContact OE2-CB 2.91Å; E1029-L1039 PolarHBondContact OE2-N 2.8Å; E1029-T1075 VanDerWaalsContact CD-CB 3.48Å; E1029-T1075 HydrophobicContact CG-CG2 4.17Å; E1029-T1075 WeakPolarHBondContact OE1-CB 3.5Å; E1029-T1075 WeakPolarHBondContact OE2-CB 3.49Å; E1029-T1075 PolarHBondContact OE2-OG1 3.46Å |
| 1030 | R | 87.8 | Confident | 92 | Very high | 101 Ų | 101 | 45.4 Ų | 45.4 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.9 | -37.5 | 174.6 | -168 | 178.7 | -59.9 | 94.5 | 10.5 | 112.9 | D45 D1026 A1028 R1033 I1034 | D45-R1030 IonicContact OD2-NE 3.53Å; D1026-R1030 WeakPolarHBondContact O-CB 3.4Å; D1026-R1030 PolarHBondContact O-N 3.4Å; D1026-R1030 PolarHBondContact O-NH1 3.49Å; A1028-R1030 VanDerWaalsContact C-N 3.32Å; A1028-R1030 PolarHBondContact O-N 3.03Å; R1030-R1033 PolarHBondContact O-N 3.34Å; R1030-I1034 HydrophobicContact CG-CD1 4.39Å; R1030-I1034 WeakPolarHBondContact O-CG1 3.44Å; R1030-I1034 PolarHBondContact O-N 3.43Å; R1030-I1034 VanDerWaalsContact O-N 3.1Å |
| 1031 | E | 93.6 | Very high | 92 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 173.8 | -171.9 | 70.2 | -131.7 | 0 | 0 | 110.8 | F1019 K1023 S1027 A1028 E1029 R1033 I1034 Q1035 F1122 | F1019-E1031 HydrophobicContact CE1-CG 4.34Å; K1023-E1031 IonicContact NZ-OE2 2.87Å; K1023-E1031 PolarHBondContact NZ-OE2 3.28Å; S1027-E1031 PolarHBondContact O-N 3.01Å; A1028-E1031 WeakPolarHBondContact O-CB 3.35Å; A1028-E1031 PolarHBondContact O-N 3.2Å; A1028-E1031 VanDerWaalsContact O-N 3.1Å; E1029-E1031 PolarHBondContact O-N 3.28Å; E1031-R1033 VanDerWaalsContact C-N 3.3Å; E1031-R1033 PolarHBondContact O-N 3.4Å; E1031-I1034 PolarHBondContact O-N 2.81Å; E1031-Q1035 WeakPolarHBondContact O-CG 3.48Å; E1031-Q1035 PolarHBondContact O-N 2.66Å; E1031-F1122 HydrophobicContact CB-CE2 3.94Å; E1031-F1122 HydrophobicContact CB-CZ 3.88Å; E1031-F1122 HydrophobicContact CG-CE2 4.02Å; E1031-F1122 HydrophobicContact CG-CZ 3.88Å |
| 1032 | C | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 175.6 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | A1028 E1029 I1034 Q1035 G1036 A1037 H1038 C1124 | A1028-C1032 PolarHBondContact O-N 3.4Å; A1028-C1032 PolarHBondContact O-SG 3.17Å; A1028-C1032 VanDerWaalsContact O-SG 3.41Å; E1029-C1032 PolarHBondContact O-N 2.84Å; C1032-I1034 VanDerWaalsContact C-N 3.34Å; C1032-I1034 PolarHBondContact O-N 2.9Å; C1032-Q1035 CarbonylContact O-C 3.04Å; C1032-Q1035 WeakPolarHBondContact O-CA 3.01Å; C1032-Q1035 WeakPolarHBondContact O-CB 3.44Å; C1032-Q1035 PolarHBondContact O-N 3.2Å; C1032-G1036 PolarHBondContact O-N 2.02Å; C1032-A1037 CarbonylContact C-O 3.59Å; C1032-A1037 HydrophobicContact CB-CB 4.25Å; C1032-A1037 CarbonylContact O-C 3.59Å; C1032-A1037 WeakPolarHBondContact O-CA 3Å; C1032-A1037 WeakPolarHBondContact O-CB 3.38Å; C1032-A1037 PolarHBondContact O-N 3.31Å; C1032-A1037 VanDerWaalsContact O-O 3.06Å; C1032-H1038 VanDerWaalsContact CB-C 3.42Å; C1032-C1124 WeakPolarHBondContact CA-SG 3.49Å; C1032-C1124 HydrophobicContact CB-CB 3.71Å; C1032-C1124 WeakPolarHBondContact CB-SG 3.44Å; C1032-C1124 VanDerWaalsContact SG-CA 3.52Å; C1032-C1124 WeakPolarHBondContact SG-CB 3.35Å; C1032-C1124 CovalentContact SG-SG 2.04Å; C1032-C1124 PolarHBondContact SG-SG 3.15Å |
| 1033 | R | 84.4 | Confident | 91.5 | Very high | 58 Ų | 58 | 32.2 Ų | 32.2 | 22% | 0.219 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 178.2 | -73 | 177.9 | -173.6 | -142.7 | -2.4 | 113.3 | S41 V46 E1029 R1030 E1031 Q1035 G1036 A1037 | S41-R1033 PolarHBondContact OG-NH2 3.3Å; V46-R1033 VanDerWaalsContact CG2-NH1 3.34Å; E1029-R1033 WeakPolarHBondContact O-CG 3.43Å; E1029-R1033 PolarHBondContact O-N 3.04Å; E1029-R1033 IonicContact OE1-CZ 2.69Å; E1029-R1033 IonicContact OE1-NE 3.75Å; E1029-R1033 PolarHBondContact OE1-NE 3.11Å; E1029-R1033 IonicContact OE1-NH2 2.98Å; E1029-R1033 PolarHBondContact OE1-NH2 2.78Å; R1030-R1033 PolarHBondContact O-N 3.34Å; E1031-R1033 VanDerWaalsContact C-N 3.3Å; E1031-R1033 PolarHBondContact O-N 3.4Å; R1033-Q1035 PolarHBondContact O-N 2.83Å; R1033-G1036 PolarHBondContact O-N 3.33Å; R1033-G1036 VanDerWaalsContact O-N 3.09Å; R1033-A1037 WeakPolarHBondContact CA-O 3.29Å; R1033-A1037 PolarHBondContact N-O 2.83Å; R1033-A1037 VanDerWaalsContact N-O 3.11Å |
| 1034 | I | 84.4 | Confident | 91.1 | Very high | 123 Ų | 123 | 31.2 Ų | 31.2 | 63% | 0.631 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -61.6 | -30 | 174.1 | -70.1 | 164 | 0 | 0 | 0 | 111.4 | R1030 E1031 C1032 G1036 | R1030-I1034 HydrophobicContact CG-CD1 4.39Å; R1030-I1034 WeakPolarHBondContact O-CG1 3.44Å; R1030-I1034 PolarHBondContact O-N 3.43Å; R1030-I1034 VanDerWaalsContact O-N 3.1Å; E1031-I1034 PolarHBondContact O-N 2.81Å; C1032-I1034 VanDerWaalsContact C-N 3.34Å; C1032-I1034 PolarHBondContact O-N 2.9Å; I1034-G1036 VanDerWaalsContact C-N 3.32Å |
| 1035 | Q | 85.8 | Confident | 90.8 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 5.4 | 177.1 | -54.3 | -74.1 | -43.3 | 0 | 0 | 114.2 | W1008 F1019 E1031 C1032 R1033 | W1008-Q1035 HydrophobicContact CH2-CB 4.22Å; W1008-Q1035 HydrophobicContact CZ2-CB 3.83Å; W1008-Q1035 HydrophobicContact CZ2-CG 4.43Å; F1019-Q1035 HydrophobicContact CZ-CG 4.12Å; E1031-Q1035 WeakPolarHBondContact O-CG 3.48Å; E1031-Q1035 PolarHBondContact O-N 2.66Å; C1032-Q1035 CarbonylContact O-C 3.04Å; C1032-Q1035 WeakPolarHBondContact O-CA 3.01Å; C1032-Q1035 WeakPolarHBondContact O-CB 3.44Å; C1032-Q1035 PolarHBondContact O-N 3.2Å; R1033-Q1035 PolarHBondContact O-N 2.83Å |
| 1036 | G | 83.5 | Confident | 90.5 | Very high | 27 Ų | 27 | 39.6 Ų | 39.6 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 40.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1032 R1033 I1034 K1126 | C1032-G1036 PolarHBondContact O-N 2.02Å; R1033-G1036 PolarHBondContact O-N 3.33Å; R1033-G1036 VanDerWaalsContact O-N 3.09Å; I1034-G1036 VanDerWaalsContact C-N 3.32Å; G1036-K1126 VanDerWaalsContact O-CB 3.26Å; G1036-K1126 WeakPolarHBondContact O-CB 3.5Å; G1036-K1126 WeakPolarHBondContact O-CD 3.13Å |
| 1037 | A | 88.9 | Confident | 90.8 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | trans | -143.9 | 176.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1008 C1032 R1033 C1124 K1125 K1126 | W1008-A1037 HydrophobicContact CH2-CB 3.68Å; W1008-A1037 HydrophobicContact CZ3-CB 4.2Å; C1032-A1037 CarbonylContact C-O 3.59Å; C1032-A1037 HydrophobicContact CB-CB 4.25Å; C1032-A1037 CarbonylContact O-C 3.59Å; C1032-A1037 WeakPolarHBondContact O-CA 3Å; C1032-A1037 WeakPolarHBondContact O-CB 3.38Å; C1032-A1037 PolarHBondContact O-N 3.31Å; C1032-A1037 VanDerWaalsContact O-O 3.06Å; R1033-A1037 WeakPolarHBondContact CA-O 3.29Å; R1033-A1037 PolarHBondContact N-O 2.83Å; R1033-A1037 VanDerWaalsContact N-O 3.11Å; A1037-C1124 HydrophobicContact CB-CB 4.04Å; A1037-K1125 WeakPolarHBondContact CA-O 3.12Å; A1037-K1125 WeakPolarHBondContact CB-O 3.16Å; A1037-K1126 HydrophobicContact CB-CB 3.87Å; A1037-K1126 HydrophobicContact CB-CD 4.37Å; A1037-K1126 HydrophobicContact CB-CG 4.38Å | ||
| 1038 | H | 91.5 | Very high | 90.9 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 21% | 0.213 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 166.2 | 168.7 | -73.1 | -78.7 | 0 | 0 | 0 | 110.1 | E1029 C1032 T1075 D1076 C1124 K1125 | E1029-H1038 IonicContact OE1-CE1 3.51Å; E1029-H1038 IonicContact OE1-CG 2.7Å; E1029-H1038 IonicContact OE1-ND1 3.22Å; E1029-H1038 PolarHBondContact OE1-ND1 2.86Å; E1029-H1038 IonicContact OE2-ND1 3.63Å; C1032-H1038 VanDerWaalsContact CB-C 3.42Å; H1038-T1075 PolarHBondContact ND1-O 2.68Å; H1038-D1076 HydrophobicContact CB-CB 3.93Å; H1038-C1124 CarbonylContact O-C 3.47Å; H1038-C1124 WeakPolarHBondContact O-CA 3.38Å; H1038-K1125 PolarHBondContact N-O 2.68Å; H1038-K1125 PolarHBondContact O-N 2.75Å |
| 1039 | L | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 141.1 | 161.3 | -77.1 | 173.8 | 0 | 0 | 0 | 109.5 | W1025 A1028 E1029 S1041 W1060 F1122 | W1025-L1039 HydrophobicContact CD2-CD1 4.04Å; W1025-L1039 HydrophobicContact CG-CD1 4.13Å; W1025-L1039 HydrophobicContact CZ2-CD1 4.18Å; A1028-L1039 HydrophobicContact CB-CD1 4.42Å; A1028-L1039 HydrophobicContact CB-CD2 4Å; E1029-L1039 HydrophobicContact CB-CD1 3.84Å; E1029-L1039 HydrophobicContact CB-CG 4.1Å; E1029-L1039 WeakPolarHBondContact OE2-CB 2.91Å; E1029-L1039 PolarHBondContact OE2-N 2.8Å; L1039-S1041 PolarHBondContact O-N 2.71Å; L1039-W1060 HydrophobicContact CD1-CB 4.33Å; L1039-W1060 HydrophobicContact CD2-CB 4.17Å; L1039-F1122 HydrophobicContact CD2-CB 3.66Å; L1039-F1122 HydrophobicContact CD2-CD2 4.13Å; L1039-F1122 HydrophobicContact CD2-CG 4.26Å |
| 1040 | T | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 126.4 | -166.9 | -166.5 | 0 | 0 | 0 | 0 | 112.7 | I1042 V1051 V1061 G1062 W1074 T1123 | T1040-I1042 HydrophobicContact CG2-CG1 4.47Å; T1040-V1051 HydrophobicContact CG2-CG1 3.82Å; T1040-V1051 HydrophobicContact CG2-CG2 4.45Å; T1040-V1061 HydrophobicContact CG2-CB 4.31Å; T1040-V1061 HydrophobicContact CG2-CG1 4.01Å; T1040-G1062 PolarHBondContact O-N 2.96Å; T1040-W1074 WeakPolarHBondContact O-CZ3 3.15Å; T1040-T1123 WeakPolarHBondContact CB-O 3.38Å; T1040-T1123 HydrophobicContact CG2-CG2 4.13Å; T1040-T1123 PolarHBondContact N-O 2.67Å |
| 1041 | S | 95.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -75 | 157.1 | 157.6 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | L1039 W1074 D1076 K1125 | L1039-S1041 PolarHBondContact O-N 2.71Å; S1041-W1074 VanDerWaalsContact CA-CE3 3.42Å; S1041-D1076 VanDerWaalsContact CB-OD2 3.22Å; S1041-D1076 WeakPolarHBondContact CB-OD2 3.45Å; S1041-D1076 PolarHBondContact OG-OD2 2.81Å; S1041-K1125 PolarHBondContact O-NZ 2.04Å; S1041-K1125 WeakPolarHBondContact OG-CD 3.49Å; S1041-K1125 PolarHBondContact OG-NZ 2.89Å |
| 1042 | I | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -139.6 | 113.9 | 178.2 | -53.3 | 179.9 | 0 | 0 | 0 | 108.4 | T1040 E1047 Q1048 V1051 V1061 W1074 Y1082 M1103 W1111 | T1040-I1042 HydrophobicContact CG2-CG1 4.47Å; I1042-E1047 WeakPolarHBondContact CA-OE2 3.35Å; I1042-E1047 HydrophobicContact CG2-CB 4.39Å; I1042-E1047 HydrophobicContact CG2-CG 4.29Å; I1042-Q1048 HydrophobicContact CG2-CB 3.72Å; I1042-V1051 HydrophobicContact CD1-CG1 4.34Å; I1042-V1061 HydrophobicContact CD1-CG1 4.12Å; I1042-W1074 HydrophobicContact CB-CH2 3.78Å; I1042-W1074 HydrophobicContact CB-CZ2 3.95Å; I1042-W1074 HydrophobicContact CD1-CH2 4.44Å; I1042-W1074 HydrophobicContact CG1-CH2 3.94Å; I1042-W1074 HydrophobicContact CG1-CZ3 4.5Å; I1042-W1074 VanDerWaalsContact N-CZ2 3.32Å; I1042-W1074 WeakPolarHBondContact O-CZ2 3.33Å; I1042-Y1082 HydrophobicContact CG2-CD1 3.93Å; I1042-Y1082 HydrophobicContact CG2-CE1 4.11Å; I1042-M1103 HydrophobicContact CD1-CE 3.23Å; I1042-W1111 HydrophobicContact CB-CZ2 4.03Å; I1042-W1111 HydrophobicContact CD1-CZ2 4.21Å; I1042-W1111 HydrophobicContact CG2-CZ2 4.2Å | ||
| 1043 | L | 87.8 | Confident | 91.5 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | trans | -119.3 | -8.4 | -168.1 | -52.8 | -179.6 | 0 | 0 | 0 | 113.2 | E1047 P1079 Y1082 | L1043-E1047 PolarHBondContact N-OE2 2.82Å; L1043-P1079 VanDerWaalsContact CD2-O 3.28Å; L1043-P1079 WeakPolarHBondContact CD2-O 3.41Å; L1043-Y1082 WeakPolarHBondContact O-CB 2.88Å | ||
| 1044 | S | 87.3 | Confident | 91.9 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -142.7 | 162.6 | 177 | 71 | 0 | 0 | 0 | 0 | 112.1 | E1046 E1047 Q1048 | S1044-E1046 VanDerWaalsContact C-N 3.29Å; S1044-E1046 WeakPolarHBondContact CB-OE2 3.48Å; S1044-E1047 PolarHBondContact O-N 2.72Å; S1044-E1047 VanDerWaalsContact OG-CB 3.25Å; S1044-E1047 WeakPolarHBondContact OG-CB 3.43Å; S1044-E1047 PolarHBondContact OG-N 2.73Å; S1044-Q1048 PolarHBondContact O-N 2.72Å |
| 1045 | H | 89.6 | Confident | 92 | Very high | 88 Ų | 88 | 35.8 Ų | 35.8 | 41% | 0.407 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.9 | -32.3 | 175.8 | -177.2 | 59.2 | 0 | 0 | 0 | 111.6 | Q1048 Q1049 Y1082 | H1045-Q1048 WeakPolarHBondContact O-CB 3.42Å; H1045-Q1048 PolarHBondContact O-N 2.95Å; H1045-Q1049 PolarHBondContact CD2-NE2 3.32Å; H1045-Q1049 PolarHBondContact NE2-NE2 2.97Å; H1045-Q1049 WeakPolarHBondContact O-CG 3.19Å; H1045-Q1049 PolarHBondContact O-N 2.97Å; H1045-Y1082 HydrophobicContact CB-CE2 4.06Å; H1045-Y1082 PolarHBondContact ND1-OH 2.88Å |
| 1046 | E | 88.6 | Confident | 92.2 | Very high | 100 Ų | 100 | 40.1 Ų | 40.1 | 47% | 0.467 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 177.9 | -60.7 | 63.5 | -137.5 | 0 | 0 | 110.5 | F1011 S1044 F1050 | F1011-E1046 HydrophobicContact CZ-CB 4Å; S1044-E1046 VanDerWaalsContact C-N 3.29Å; S1044-E1046 WeakPolarHBondContact CB-OE2 3.48Å; E1046-F1050 WeakPolarHBondContact O-CB 3.46Å; E1046-F1050 PolarHBondContact O-N 3.37Å |
| 1047 | E | 94.2 | Very high | 92.7 | Very high | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 172 | -174.8 | 176.6 | -164.4 | 0 | 0 | 111.6 | F1011 Y1016 I1042 L1043 S1044 Q1049 F1050 V1051 K1125 | F1011-E1047 HydrophobicContact CE1-CB 3.91Å; F1011-E1047 HydrophobicContact CE1-CG 4.39Å; Y1016-E1047 HydrophobicContact CE1-CG 4.39Å; Y1016-E1047 WeakPolarHBondContact CE1-OE1 3.49Å; Y1016-E1047 PolarHBondContact OH-OE1 2.94Å; I1042-E1047 WeakPolarHBondContact CA-OE2 3.35Å; I1042-E1047 HydrophobicContact CG2-CB 4.39Å; I1042-E1047 HydrophobicContact CG2-CG 4.29Å; L1043-E1047 PolarHBondContact N-OE2 2.82Å; S1044-E1047 PolarHBondContact O-N 2.72Å; S1044-E1047 VanDerWaalsContact OG-CB 3.25Å; S1044-E1047 WeakPolarHBondContact OG-CB 3.43Å; S1044-E1047 PolarHBondContact OG-N 2.73Å; E1047-Q1049 VanDerWaalsContact C-N 3.33Å; E1047-Q1049 PolarHBondContact O-N 2.85Å; E1047-F1050 WeakPolarHBondContact O-CB 3.24Å; E1047-F1050 PolarHBondContact O-N 2.91Å; E1047-V1051 HydrophobicContact CG-CG2 4.23Å; E1047-V1051 WeakPolarHBondContact O-CG2 3.25Å; E1047-V1051 PolarHBondContact O-N 2.89Å; E1047-K1125 VanDerWaalsContact OE1-CE 3.31Å; E1047-K1125 WeakPolarHBondContact OE1-CE 3.42Å; E1047-K1125 IonicContact OE1-NZ 2.71Å; E1047-K1125 PolarHBondContact OE1-NZ 2.8Å; E1047-K1125 IonicContact OE2-NZ 2.77Å |
| 1048 | Q | 95.1 | Very high | 93 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.2 | -47.9 | 174.6 | 174.7 | 53.9 | 66.3 | 0 | 0 | 111.5 | I1042 S1044 H1045 F1050 N1052 Y1082 N1084 M1103 G1109 | I1042-Q1048 HydrophobicContact CG2-CB 3.72Å; S1044-Q1048 PolarHBondContact O-N 2.72Å; H1045-Q1048 WeakPolarHBondContact O-CB 3.42Å; H1045-Q1048 PolarHBondContact O-N 2.95Å; Q1048-F1050 VanDerWaalsContact C-N 3.33Å; Q1048-F1050 PolarHBondContact O-N 3.26Å; Q1048-N1052 VanDerWaalsContact O-CB 3.24Å; Q1048-N1052 WeakPolarHBondContact O-CB 3.4Å; Q1048-N1052 PolarHBondContact O-N 2.91Å; Q1048-Y1082 HydrophobicContact CB-CE1 3.66Å; Q1048-Y1082 HydrophobicContact CG-CE1 3.98Å; Q1048-N1084 HydrophobicContact CG-CB 4.43Å; Q1048-M1103 VanDerWaalsContact NE2-CE 3.35Å; Q1048-G1109 PolarHBondContact NE2-O 2.68Å |
| 1049 | Q | 95 | Very high | 93.2 | Very high | 81 Ų | 81 | 43.2 Ų | 43.2 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 175.1 | -69.7 | -172 | 21.9 | 0 | 0 | 112.7 | H1045 E1047 R1053 | H1045-Q1049 PolarHBondContact CD2-NE2 3.32Å; H1045-Q1049 PolarHBondContact NE2-NE2 2.97Å; H1045-Q1049 WeakPolarHBondContact O-CG 3.19Å; H1045-Q1049 PolarHBondContact O-N 2.97Å; E1047-Q1049 VanDerWaalsContact C-N 3.33Å; E1047-Q1049 PolarHBondContact O-N 2.85Å; Q1049-R1053 VanDerWaalsContact O-CG 3.31Å; Q1049-R1053 WeakPolarHBondContact O-CG 3.48Å; Q1049-R1053 VanDerWaalsContact O-CZ 3.23Å; Q1049-R1053 PolarHBondContact O-N 2.55Å; Q1049-R1053 PolarHBondContact O-NE 2.83Å; Q1049-R1053 PolarHBondContact O-NH2 2.98Å |
| 1050 | F | 95.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -52.9 | 178.6 | 173.2 | -97.2 | 0 | 0 | 0 | 111.6 | H1009 F1011 Y1016 E1046 E1047 Q1048 N1052 R1053 L1054 | H1009-F1050 HydrophobicContact CB-CZ 3.95Å; F1011-F1050 HydrophobicContact CB-CD1 3.72Å; F1011-F1050 HydrophobicContact CB-CD2 4.02Å; F1011-F1050 HydrophobicContact CB-CE1 3.52Å; F1011-F1050 HydrophobicContact CB-CE2 3.82Å; F1011-F1050 HydrophobicContact CB-CG 3.97Å; F1011-F1050 HydrophobicContact CB-CZ 3.57Å; F1011-F1050 HydrophobicContact CD1-CB 4.28Å; F1011-F1050 HydrophobicContact CD1-CD1 4.02Å; F1011-F1050 HydrophobicContact CD1-CG 4.11Å; F1011-F1050 HydrophobicContact CD2-CB 4.02Å; F1011-F1050 HydrophobicContact CD2-CD1 4.27Å; F1011-F1050 AromaticContact CD2-CD2 3.62Å; F1011-F1050 HydrophobicContact CD2-CD2 3.62Å; F1011-F1050 HydrophobicContact CD2-CE2 4.15Å; F1011-F1050 AromaticContact CD2-CG 3.69Å; F1011-F1050 HydrophobicContact CD2-CG 3.69Å; F1011-F1050 HydrophobicContact CE1-CB 4.26Å; F1011-F1050 HydrophobicContact CE2-CB 3.99Å; F1011-F1050 HydrophobicContact CE2-CD2 4.28Å; F1011-F1050 HydrophobicContact CE2-CG 4.18Å; F1011-F1050 HydrophobicContact CG-CB 4.17Å; F1011-F1050 AromaticContact CG-CD1 3.75Å; F1011-F1050 HydrophobicContact CG-CD1 3.75Å; F1011-F1050 AromaticContact CG-CD2 3.9Å; F1011-F1050 HydrophobicContact CG-CD2 3.9Å; F1011-F1050 HydrophobicContact CG-CE1 4.09Å; F1011-F1050 HydrophobicContact CG-CE2 4.23Å; F1011-F1050 AromaticContact CG-CG 3.65Å; F1011-F1050 HydrophobicContact CG-CG 3.65Å; F1011-F1050 HydrophobicContact CG-CZ 4.32Å; F1011-F1050 HydrophobicContact CZ-CB 4.11Å; Y1016-F1050 HydrophobicContact CD1-CE1 4.34Å; Y1016-F1050 HydrophobicContact CD2-CD1 4.3Å; Y1016-F1050 AromaticContact CD2-CE1 3.49Å; Y1016-F1050 HydrophobicContact CD2-CE1 3.49Å; Y1016-F1050 VanDerWaalsContact CD2-CE1 3.49Å; Y1016-F1050 HydrophobicContact CD2-CZ 4.29Å; Y1016-F1050 HydrophobicContact CE2-CD1 4.43Å; Y1016-F1050 AromaticContact CE2-CE1 3.99Å; Y1016-F1050 HydrophobicContact CE2-CE1 3.99Å; Y1016-F1050 HydrophobicContact CG-CD1 4.44Å; Y1016-F1050 AromaticContact CG-CE1 3.71Å; Y1016-F1050 HydrophobicContact CG-CE1 3.71Å; E1046-F1050 WeakPolarHBondContact O-CB 3.46Å; E1046-F1050 PolarHBondContact O-N 3.37Å; E1047-F1050 WeakPolarHBondContact O-CB 3.24Å; E1047-F1050 PolarHBondContact O-N 2.91Å; Q1048-F1050 VanDerWaalsContact C-N 3.33Å; Q1048-F1050 PolarHBondContact O-N 3.26Å; F1050-N1052 VanDerWaalsContact C-N 3.29Å; F1050-N1052 PolarHBondContact O-N 3.25Å; F1050-R1053 PolarHBondContact O-N 3.24Å; F1050-L1054 HydrophobicContact CD1-CD1 4.37Å; F1050-L1054 HydrophobicContact CE1-CD1 3.8Å; F1050-L1054 HydrophobicContact CE1-CD2 4.25Å; F1050-L1054 HydrophobicContact CE1-CG 4.23Å; F1050-L1054 HydrophobicContact CE2-CD2 4.36Å; F1050-L1054 HydrophobicContact CZ-CD1 4.28Å; F1050-L1054 HydrophobicContact CZ-CD2 3.91Å; F1050-L1054 HydrophobicContact CZ-CG 4.38Å; F1050-L1054 PolarHBondContact O-N 2.8Å |
| 1051 | V | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 178.6 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | Y1016 T1040 I1042 E1047 R1053 L1054 Q1059 M1103 T1123 | Y1016-V1051 HydrophobicContact CD1-CG2 4.01Å; Y1016-V1051 HydrophobicContact CE1-CG2 4.03Å; T1040-V1051 HydrophobicContact CG2-CG1 3.82Å; T1040-V1051 HydrophobicContact CG2-CG2 4.45Å; I1042-V1051 HydrophobicContact CD1-CG1 4.34Å; E1047-V1051 HydrophobicContact CG-CG2 4.23Å; E1047-V1051 WeakPolarHBondContact O-CG2 3.25Å; E1047-V1051 PolarHBondContact O-N 2.89Å; V1051-R1053 PolarHBondContact O-N 3.25Å; V1051-L1054 PolarHBondContact O-N 2.81Å; V1051-Q1059 PolarHBondContact O-NE2 3.03Å; V1051-M1103 HydrophobicContact CB-CE 4.25Å; V1051-M1103 HydrophobicContact CG1-CE 3.62Å; V1051-M1103 HydrophobicContact CG1-SD 4.32Å; V1051-T1123 HydrophobicContact CG1-CG2 4.43Å |
| 1052 | N | 95.4 | Very high | 93.3 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.2 | 177.1 | -161.3 | 57.7 | 0 | 0 | 0 | 114.2 | Q1048 F1050 M1103 W1105 G1109 | Q1048-N1052 VanDerWaalsContact O-CB 3.24Å; Q1048-N1052 WeakPolarHBondContact O-CB 3.4Å; Q1048-N1052 PolarHBondContact O-N 2.91Å; F1050-N1052 VanDerWaalsContact C-N 3.29Å; F1050-N1052 PolarHBondContact O-N 3.25Å; N1052-M1103 HydrophobicContact CB-SD 3.87Å; N1052-M1103 PolarHBondContact OD1-SD 3.29Å; N1052-W1105 PolarHBondContact ND2-O 3.02Å; N1052-W1105 VanDerWaalsContact OD1-CA 3.29Å; N1052-W1105 WeakPolarHBondContact OD1-CA 3.37Å; N1052-W1105 PolarHBondContact OD1-O 3.11Å; N1052-G1109 PolarHBondContact ND2-N 3.02Å; N1052-G1109 WeakPolarHBondContact OD1-CA 3.19Å |
| 1053 | R | 94.9 | Very high | 93.3 | Very high | 161 Ų | 161 | 43.2 Ų | 43.2 | 61% | 0.608 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | -7.6 | 174.3 | -72.6 | 179 | -66 | -123.1 | -1.7 | 113.6 | Q1049 F1050 V1051 | Q1049-R1053 VanDerWaalsContact O-CG 3.31Å; Q1049-R1053 WeakPolarHBondContact O-CG 3.48Å; Q1049-R1053 VanDerWaalsContact O-CZ 3.23Å; Q1049-R1053 PolarHBondContact O-N 2.55Å; Q1049-R1053 PolarHBondContact O-NE 2.83Å; Q1049-R1053 PolarHBondContact O-NH2 2.98Å; F1050-R1053 PolarHBondContact O-N 3.24Å; V1051-R1053 PolarHBondContact O-N 3.25Å |
| 1054 | L | 92.8 | Very high | 93.5 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -22.4 | 178.6 | -66.1 | 177.9 | 0 | 0 | 0 | 113.8 | H1009 Y1016 F1018 F1050 V1051 T1123 | H1009-L1054 HydrophobicContact CB-CD2 4.06Å; Y1016-L1054 HydrophobicContact CG-CD1 4.44Å; F1018-L1054 HydrophobicContact CB-CB 4.22Å; F1050-L1054 HydrophobicContact CD1-CD1 4.37Å; F1050-L1054 HydrophobicContact CE1-CD1 3.8Å; F1050-L1054 HydrophobicContact CE1-CD2 4.25Å; F1050-L1054 HydrophobicContact CE1-CG 4.23Å; F1050-L1054 HydrophobicContact CE2-CD2 4.36Å; F1050-L1054 HydrophobicContact CZ-CD1 4.28Å; F1050-L1054 HydrophobicContact CZ-CD2 3.91Å; F1050-L1054 HydrophobicContact CZ-CG 4.38Å; F1050-L1054 PolarHBondContact O-N 2.8Å; V1051-L1054 PolarHBondContact O-N 2.81Å; L1054-T1123 HydrophobicContact CD1-CG2 4.02Å |
| 1055 | G | 86.5 | Confident | 93.4 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | trans | -141.2 | 161.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1056 | Q | 88.9 | Confident | 93 | Very high | 158 Ų | 158 | 39.5 Ų | 39.5 | 74% | 0.738 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -123.3 | 35.4 | -179.9 | -63.4 | -179.2 | -4 | 0 | 0 | 111.2 | W1105 | Q1056-W1105 HydrophobicContact CB-CD2 4.42Å; Q1056-W1105 HydrophobicContact CB-CE3 4.45Å; Q1056-W1105 HydrophobicContact CB-CH2 4.4Å; Q1056-W1105 HydrophobicContact CB-CZ2 4.35Å; Q1056-W1105 HydrophobicContact CB-CZ3 4.44Å; Q1056-W1105 HydrophobicContact CG-CE3 4.48Å; Q1056-W1105 HydrophobicContact CG-CH2 4.37Å; Q1056-W1105 HydrophobicContact CG-CZ3 4.19Å; Q1056-W1105 PolarHBondContact O-NE1 2.99Å |
| 1057 | D | 93.3 | Very high | 91.8 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -146.7 | 162.3 | -174.6 | -161.3 | -11.6 | 0 | 0 | 0 | 109 | R1022 Q1059 T1121 | R1022-D1057 IonicContact CZ-OD1 2.71Å; R1022-D1057 IonicContact CZ-OD2 2.64Å; R1022-D1057 IonicContact NE-OD2 3.2Å; R1022-D1057 IonicContact NH2-OD1 3.87Å; R1022-D1057 PolarHBondContact NH2-OD1 3.04Å; R1022-D1057 IonicContact NH2-OD2 2.91Å; R1022-D1057 PolarHBondContact NH2-OD2 2.97Å; D1057-Q1059 PolarHBondContact O-N 3.49Å; D1057-T1121 HydrophobicContact CB-CG2 4.04Å; D1057-T1121 WeakPolarHBondContact OD2-CG2 3.49Å |
| 1058 | Y | 95.3 | Very high | 90.4 | Very high | 95 Ų | 95 | 36.9 Ų | 36.9 | 37% | 0.373 | 17% | 0.165 | S | C | . | . | trans | -64.8 | 127.6 | 172.6 | -57.5 | -22.8 | 0 | 0 | 0 | 109.6 | I1104 H1106 T1121 | Y1058-I1104 HydrophobicContact CD1-CG2 4.3Å; Y1058-I1104 HydrophobicContact CE1-CB 4.48Å; Y1058-I1104 HydrophobicContact CE1-CG2 3.74Å; Y1058-H1106 AromaticContact CE1-CE1 3.9Å; Y1058-H1106 AromaticContact CE1-ND1 3.89Å; Y1058-H1106 PolarHBondContact OH-CE1 3.33Å; Y1058-T1121 PolarHBondContact O-N 2.93Å; Y1058-T1121 PolarHBondContact O-OG1 3.24Å | ||
| 1059 | Q | 96.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.5 | -172.1 | 62.6 | 178 | -36.1 | 0 | 0 | 112.7 | F1018 V1051 D1057 M1103 T1121 T1123 | F1018-Q1059 HydrophobicContact CE2-CB 4.48Å; V1051-Q1059 PolarHBondContact O-NE2 3.03Å; D1057-Q1059 PolarHBondContact O-N 3.49Å; Q1059-M1103 HydrophobicContact CG-CB 3.92Å; Q1059-M1103 HydrophobicContact CG-CG 4.49Å; Q1059-M1103 HydrophobicContact CG-SD 4.29Å; Q1059-M1103 PolarHBondContact N-O 2.97Å; Q1059-M1103 PolarHBondContact NE2-SD 3.16Å; Q1059-M1103 VanDerWaalsContact NE2-SD 3.41Å; Q1059-M1103 PolarHBondContact O-N 3.38Å; Q1059-T1121 CarbonylContact C-O 3.54Å; Q1059-T1121 VanDerWaalsContact CA-O 3.24Å; Q1059-T1121 WeakPolarHBondContact CA-O 3.17Å; Q1059-T1121 WeakPolarHBondContact CB-OG1 3.4Å; Q1059-T1123 PolarHBondContact OE1-OG1 2.71Å |
| 1060 | W | 98.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 137 | 168.9 | -68.1 | 130.1 | 0 | 0 | 0 | 111.2 | K1023 W1025 L1039 C1100 V1102 V1114 Y1118 L1120 T1121 F1122 | K1023-W1060 PolarHBondContact O-NE1 2.9Å; W1025-W1060 HydrophobicContact CB-CD2 4.05Å; W1025-W1060 HydrophobicContact CB-CE3 4.45Å; W1025-W1060 HydrophobicContact CB-CG 4.43Å; W1025-W1060 HydrophobicContact CB-CH2 4.38Å; W1025-W1060 HydrophobicContact CB-CZ2 3.97Å; W1025-W1060 AromaticContact CD1-CD2 3.62Å; W1025-W1060 AromaticContact CD1-CE3 3.57Å; W1025-W1060 AromaticContact CD1-CG 3.84Å; W1025-W1060 HydrophobicContact CG-CD2 4.24Å; W1025-W1060 HydrophobicContact CG-CE3 4.4Å; W1025-W1060 HydrophobicContact CG-CG 4.49Å; L1039-W1060 HydrophobicContact CD1-CB 4.33Å; L1039-W1060 HydrophobicContact CD2-CB 4.17Å; W1060-C1100 HydrophobicContact CH2-CB 4.15Å; W1060-C1100 HydrophobicContact CZ3-CB 3.84Å; W1060-V1102 HydrophobicContact CE3-CB 4.31Å; W1060-V1102 HydrophobicContact CZ3-CB 4.27Å; W1060-V1114 HydrophobicContact CH2-CG2 3.61Å; W1060-V1114 HydrophobicContact CZ3-CG2 3.43Å; W1060-V1114 VanDerWaalsContact CZ3-CG2 3.43Å; W1060-Y1118 WeakPolarHBondContact CZ2-O 3.45Å; W1060-Y1118 PolarHBondContact NE1-O 3Å; W1060-L1120 HydrophobicContact CD2-CB 4.24Å; W1060-L1120 HydrophobicContact CD2-CD1 3.93Å; W1060-L1120 HydrophobicContact CD2-CG 4.43Å; W1060-L1120 HydrophobicContact CE3-CD1 4.02Å; W1060-L1120 HydrophobicContact CG-CB 4.23Å; W1060-L1120 HydrophobicContact CH2-CD1 4.11Å; W1060-L1120 HydrophobicContact CZ2-CD1 3.99Å; W1060-L1120 HydrophobicContact CZ2-CG 4.21Å; W1060-L1120 HydrophobicContact CZ3-CD1 4.12Å; W1060-T1121 PolarHBondContact N-O 2.85Å; W1060-F1122 HydrophobicContact CB-CB 4.02Å |
| 1061 | V | 97.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 168.5 | 167.7 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | W1025 T1040 I1042 L1063 W1074 V1101 M1103 | W1025-V1061 PolarHBondContact NE1-O 3.3Å; T1040-V1061 HydrophobicContact CG2-CB 4.31Å; T1040-V1061 HydrophobicContact CG2-CG1 4.01Å; I1042-V1061 HydrophobicContact CD1-CG1 4.12Å; V1061-L1063 HydrophobicContact CG2-CB 4.23Å; V1061-L1063 PolarHBondContact O-N 2.6Å; V1061-W1074 HydrophobicContact CB-CZ3 4.05Å; V1061-W1074 HydrophobicContact CG2-CH2 4.48Å; V1061-W1074 HydrophobicContact CG2-CZ3 4.06Å; V1061-V1101 HydrophobicContact CG2-CB 4.02Å; V1061-V1101 HydrophobicContact CG2-CG1 3.88Å; V1061-V1101 WeakPolarHBondContact CG2-O 3.28Å; V1061-V1101 PolarHBondContact N-O 2.86Å; V1061-M1103 HydrophobicContact CG1-CB 4.03Å; V1061-M1103 HydrophobicContact CG1-CE 3.85Å |
| 1062 | G | 95.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -1.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1040 N1064 W1074 T1075 | T1040-G1062 PolarHBondContact O-N 2.96Å; G1062-N1064 PolarHBondContact O-ND2 2.85Å; G1062-W1074 VanDerWaalsContact C-CE3 3.47Å; G1062-W1074 CarbonylContact O-C 3.57Å; G1062-W1074 WeakPolarHBondContact O-CA 3.45Å; G1062-T1075 PolarHBondContact O-N 2.95Å |
| 1063 | L | 94.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128.6 | -176.7 | -163.5 | 63.4 | 0 | 0 | 0 | 109.8 | V1061 F1072 R1073 W1074 V1080 W1085 V1101 W1111 | V1061-L1063 HydrophobicContact CG2-CB 4.23Å; V1061-L1063 PolarHBondContact O-N 2.6Å; L1063-F1072 HydrophobicContact CD1-CB 3.92Å; L1063-F1072 HydrophobicContact CG-CB 4.09Å; L1063-F1072 HydrophobicContact CG-CD1 4.18Å; L1063-R1073 WeakPolarHBondContact CA-O 3.09Å; L1063-W1074 HydrophobicContact CB-CD2 4.26Å; L1063-W1074 HydrophobicContact CB-CE3 3.68Å; L1063-W1074 HydrophobicContact CB-CH2 3.9Å; L1063-W1074 HydrophobicContact CB-CZ2 4.44Å; L1063-W1074 HydrophobicContact CB-CZ3 3.51Å; L1063-W1074 HydrophobicContact CD1-CD2 3.94Å; L1063-W1074 HydrophobicContact CD1-CE3 4.24Å; L1063-W1074 HydrophobicContact CD1-CG 4.36Å; L1063-W1074 HydrophobicContact CD1-CZ2 4.33Å; L1063-W1074 HydrophobicContact CD2-CH2 4.42Å; L1063-W1074 HydrophobicContact CD2-CZ2 4.46Å; L1063-V1080 HydrophobicContact CD1-CG2 3.73Å; L1063-W1085 HydrophobicContact CD2-CH2 4.03Å; L1063-W1085 HydrophobicContact CD2-CZ2 3.76Å; L1063-V1101 HydrophobicContact CB-CB 3.91Å; L1063-V1101 HydrophobicContact CB-CG1 4.41Å; L1063-V1101 HydrophobicContact CB-CG2 3.84Å; L1063-V1101 HydrophobicContact CD2-CG1 4.48Å; L1063-V1101 HydrophobicContact CD2-CG2 4.09Å; L1063-V1101 HydrophobicContact CG-CB 4.49Å; L1063-V1101 HydrophobicContact CG-CG2 3.92Å; L1063-V1101 WeakPolarHBondContact O-CB 3.02Å; L1063-V1101 WeakPolarHBondContact O-CG2 3.46Å; L1063-V1101 PolarHBondContact O-N 3.06Å; L1063-W1111 HydrophobicContact CD2-CE3 3.61Å; L1063-W1111 HydrophobicContact CD2-CH2 4.5Å; L1063-W1111 HydrophobicContact CD2-CZ3 3.53Å |
| 1064 | N | 91.1 | Very high | 85.7 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 148.4 | -178.5 | 66.7 | 106.8 | 0 | 0 | 0 | 109.9 | W1025 G1062 F1072 R1073 D1099 | W1025-N1064 HydrophobicContact CH2-CB 3.79Å; W1025-N1064 VanDerWaalsContact CH2-CG 3.47Å; W1025-N1064 HydrophobicContact CZ2-CB 3.6Å; G1062-N1064 PolarHBondContact O-ND2 2.85Å; N1064-F1072 WeakPolarHBondContact O-CA 3.23Å; N1064-R1073 PolarHBondContact N-O 3.31Å; N1064-R1073 PolarHBondContact ND2-O 2.78Å; N1064-R1073 PolarHBondContact O-N 2.97Å; N1064-D1099 CarbonylContact C-O 3.46Å; N1064-D1099 WeakPolarHBondContact CA-O 3.45Å; N1064-D1099 WeakPolarHBondContact CB-O 3.48Å |
| 1065 | D | 86.1 | Confident | 85.4 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | trans | -117.3 | 9.8 | 169.9 | 73.9 | -30.8 | 0 | 0 | 0 | 113 | M1067 F1068 D1069 N1070 F1072 D1099 | D1065-M1067 PolarHBondContact O-N 2.05Å; D1065-F1068 CarbonylContact O-C 3.48Å; D1065-F1068 PolarHBondContact O-N 3.07Å; D1065-D1069 WeakPolarHBondContact OD2-CA 3.41Å; D1065-N1070 PolarHBondContact OD2-N 3.48Å; D1065-F1072 HydrophobicContact CB-CB 4.4Å; D1065-F1072 HydrophobicContact CB-CD1 3.7Å; D1065-F1072 HydrophobicContact CB-CD2 4.02Å; D1065-F1072 HydrophobicContact CB-CE1 3.81Å; D1065-F1072 HydrophobicContact CB-CE2 4.11Å; D1065-F1072 HydrophobicContact CB-CG 3.8Å; D1065-F1072 HydrophobicContact CB-CZ 4.01Å; D1065-F1072 VanDerWaalsContact CG-CZ 3.43Å; D1065-F1072 WeakPolarHBondContact OD1-CE1 3.28Å; D1065-D1099 PolarHBondContact N-O 2.93Å; D1065-D1099 WeakPolarHBondContact OD1-CA 3.32Å | ||
| 1066 | K | 80.1 | Confident | 85 | Confident | 69 Ų | 69 | 38.5 Ų | 38.5 | 30% | 0.3 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -36.3 | -20.5 | 172.8 | -156.2 | -171.4 | -173.4 | -169 | 0 | 118.3 | D1026 D1099 | D1026-K1066 IonicContact OD1-NZ 2.92Å; D1026-K1066 PolarHBondContact OD1-NZ 3.1Å; D1026-K1066 IonicContact OD2-NZ 3.98Å; D1026-K1066 PolarHBondContact OD2-NZ 3.45Å; K1066-D1099 HydrophobicContact CB-CB 3.72Å; K1066-D1099 HydrophobicContact CG-CB 3.88Å; K1066-D1099 PolarHBondContact N-O 3.32Å |
| 1067 | M | 64.3 | Low | 84.2 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 14% | 0.138 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -30.6 | 178.4 | -46.9 | -48 | -59.8 | 0 | 0 | 113.1 | G25 I27 D1065 | G25-M1067 VanDerWaalsContact O-CE 3.25Å; G25-M1067 WeakPolarHBondContact O-CE 3.25Å; I27-M1067 HydrophobicContact CD1-CB 4.14Å; I27-M1067 HydrophobicContact CD1-CE 3.61Å; I27-M1067 HydrophobicContact CG1-CE 3.81Å; D1065-M1067 PolarHBondContact O-N 2.05Å |
| 1068 | F | 64.4 | Low | 83.4 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 10% | 0.101 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -158.7 | 122.3 | 175.3 | -47.1 | -79.6 | 0 | 0 | 0 | 110.9 | I27 M29 D1065 N1070 D1071 | I27-F1068 HydrophobicContact CB-CE1 3.6Å; I27-F1068 HydrophobicContact CB-CE2 4.46Å; I27-F1068 HydrophobicContact CB-CZ 3.5Å; I27-F1068 HydrophobicContact CD1-CE2 4.12Å; I27-F1068 HydrophobicContact CD1-CZ 3.85Å; I27-F1068 HydrophobicContact CG1-CZ 4.27Å; I27-F1068 HydrophobicContact CG2-CE1 3.66Å; I27-F1068 HydrophobicContact CG2-CZ 3.41Å; I27-F1068 VanDerWaalsContact CG2-CZ 3.41Å; M29-F1068 HydrophobicContact CB-CD1 4.39Å; M29-F1068 HydrophobicContact CB-CE1 3.52Å; M29-F1068 HydrophobicContact CB-CZ 3.88Å; M29-F1068 HydrophobicContact CE-CD1 4.17Å; M29-F1068 HydrophobicContact CE-CD2 3.84Å; M29-F1068 HydrophobicContact CE-CE1 3.65Å; M29-F1068 HydrophobicContact CE-CE2 3.28Å; M29-F1068 HydrophobicContact CE-CG 4.25Å; M29-F1068 HydrophobicContact CE-CZ 3.16Å; M29-F1068 HydrophobicContact CG-CZ 4.49Å; D1065-F1068 CarbonylContact O-C 3.48Å; D1065-F1068 PolarHBondContact O-N 3.07Å; F1068-N1070 PolarHBondContact O-N 2.62Å; F1068-D1071 HydrophobicContact CB-CB 4.03Å; F1068-D1071 WeakPolarHBondContact O-CB 3.41Å; F1068-D1071 PolarHBondContact O-N 2.82Å; F1068-D1071 VanDerWaalsContact O-N 3.09Å |
| 1069 | D | 71.9 | Confident | 82.4 | Confident | 94 Ų | 94 | 32.2 Ų | 32.2 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | 131.8 | 176.9 | -44.1 | 40.9 | 0 | 0 | 0 | 111.5 | R34 D1065 D1071 | R34-D1069 PolarHBondContact NH2-O 3.11Å; D1065-D1069 WeakPolarHBondContact OD2-CA 3.41Å; D1069-D1071 VanDerWaalsContact C-N 3.32Å; D1069-D1071 PolarHBondContact O-N 3.32Å |
| 1070 | N | 71.7 | Confident | 81.6 | Confident | 107 Ų | 107 | 34.6 Ų | 34.6 | 57% | 0.572 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 29 | 179.3 | -62.2 | -121.8 | 0 | 0 | 0 | 114.6 | D1065 F1068 | D1065-N1070 PolarHBondContact OD2-N 3.48Å; F1068-N1070 PolarHBondContact O-N 2.62Å |
| 1071 | D | 76.3 | Confident | 80.7 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | trans | -127.8 | 55.1 | 174.1 | -165.3 | -2.4 | 0 | 0 | 0 | 110.8 | N35 F1068 D1069 R1073 | N35-D1071 VanDerWaalsContact CA-OD2 3.23Å; N35-D1071 WeakPolarHBondContact CA-OD2 3.41Å; N35-D1071 PolarHBondContact N-OD2 3.36Å; N35-D1071 PolarHBondContact OD1-OD2 3.5Å; F1068-D1071 HydrophobicContact CB-CB 4.03Å; F1068-D1071 WeakPolarHBondContact O-CB 3.41Å; F1068-D1071 PolarHBondContact O-N 2.82Å; F1068-D1071 VanDerWaalsContact O-N 3.09Å; D1069-D1071 VanDerWaalsContact C-N 3.32Å; D1069-D1071 PolarHBondContact O-N 3.32Å; D1071-R1073 VanDerWaalsContact CG-NE 3.31Å; D1071-R1073 VanDerWaalsContact CG-NH2 3.3Å; D1071-R1073 VanDerWaalsContact O-CD 3.3Å; D1071-R1073 WeakPolarHBondContact O-CD 3.38Å; D1071-R1073 WeakPolarHBondContact O-CG 3.33Å; D1071-R1073 PolarHBondContact O-N 2.9Å; D1071-R1073 PolarHBondContact O-NE 3.11Å; D1071-R1073 IonicContact OD1-CZ 2.64Å; D1071-R1073 IonicContact OD1-NE 2.78Å; D1071-R1073 PolarHBondContact OD1-NE 3.41Å; D1071-R1073 IonicContact OD1-NH2 3.81Å; D1071-R1073 PolarHBondContact OD1-NH2 2.98Å; D1071-R1073 IonicContact OD2-CZ 2.75Å; D1071-R1073 VanDerWaalsContact OD2-CZ 3.29Å; D1071-R1073 IonicContact OD2-NE 2.76Å; D1071-R1073 PolarHBondContact OD2-NE 3.19Å; D1071-R1073 IonicContact OD2-NH2 2.76Å; D1071-R1073 PolarHBondContact OD2-NH2 3.18Å | ||
| 1072 | F | 84.6 | Confident | 80.3 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | trans | -55 | 130.9 | -177.8 | -71.7 | -84 | 0 | 0 | 0 | 113.2 | L1063 N1064 D1065 V1080 W1085 P1090 V1101 D1113 | L1063-F1072 HydrophobicContact CD1-CB 3.92Å; L1063-F1072 HydrophobicContact CG-CB 4.09Å; L1063-F1072 HydrophobicContact CG-CD1 4.18Å; N1064-F1072 WeakPolarHBondContact O-CA 3.23Å; D1065-F1072 HydrophobicContact CB-CB 4.4Å; D1065-F1072 HydrophobicContact CB-CD1 3.7Å; D1065-F1072 HydrophobicContact CB-CD2 4.02Å; D1065-F1072 HydrophobicContact CB-CE1 3.81Å; D1065-F1072 HydrophobicContact CB-CE2 4.11Å; D1065-F1072 HydrophobicContact CB-CG 3.8Å; D1065-F1072 HydrophobicContact CB-CZ 4.01Å; D1065-F1072 VanDerWaalsContact CG-CZ 3.43Å; D1065-F1072 WeakPolarHBondContact OD1-CE1 3.28Å; F1072-V1080 WeakPolarHBondContact O-CG2 3.35Å; F1072-W1085 AromaticContact CD1-CH2 3.82Å; F1072-W1085 HydrophobicContact CD1-CH2 3.82Å; F1072-W1085 HydrophobicContact CD1-CZ2 4.12Å; F1072-W1085 HydrophobicContact CD2-CH2 4.32Å; F1072-W1085 HydrophobicContact CD2-CZ2 4.07Å; F1072-W1085 AromaticContact CE1-CH2 3.73Å; F1072-W1085 HydrophobicContact CE1-CH2 3.73Å; F1072-W1085 HydrophobicContact CE1-CZ2 4.39Å; F1072-W1085 HydrophobicContact CE2-CH2 4.25Å; F1072-W1085 HydrophobicContact CE2-CZ2 4.35Å; F1072-W1085 HydrophobicContact CG-CH2 4.13Å; F1072-W1085 AromaticContact CG-CZ2 3.97Å; F1072-W1085 HydrophobicContact CG-CZ2 3.97Å; F1072-W1085 AromaticContact CZ-CH2 3.96Å; F1072-W1085 HydrophobicContact CZ-CH2 3.96Å; F1072-W1085 HydrophobicContact CZ-CZ2 4.5Å; F1072-P1090 HydrophobicContact CD2-CG 4.28Å; F1072-P1090 HydrophobicContact CE2-CB 3.84Å; F1072-P1090 HydrophobicContact CE2-CG 3.51Å; F1072-P1090 HydrophobicContact CZ-CB 3.79Å; F1072-P1090 HydrophobicContact CZ-CG 4Å; F1072-V1101 HydrophobicContact CD1-CG2 3.9Å; F1072-V1101 HydrophobicContact CE1-CG2 3.8Å; F1072-D1113 HydrophobicContact CE1-CB 4.38Å; F1072-D1113 HydrophobicContact CZ-CB 4.18Å | ||
| 1073 | R | 81.9 | Confident | 80.1 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.3 | -174.8 | -70 | 152.7 | -177 | -147 | -4.3 | 111 | V37 L1063 N1064 D1071 | V37-R1073 PolarHBondContact O-NH1 3.29Å; V37-R1073 PolarHBondContact O-NH2 2.96Å; L1063-R1073 WeakPolarHBondContact CA-O 3.09Å; N1064-R1073 PolarHBondContact N-O 3.31Å; N1064-R1073 PolarHBondContact ND2-O 2.78Å; N1064-R1073 PolarHBondContact O-N 2.97Å; D1071-R1073 VanDerWaalsContact CG-NE 3.31Å; D1071-R1073 VanDerWaalsContact CG-NH2 3.3Å; D1071-R1073 VanDerWaalsContact O-CD 3.3Å; D1071-R1073 WeakPolarHBondContact O-CD 3.38Å; D1071-R1073 WeakPolarHBondContact O-CG 3.33Å; D1071-R1073 PolarHBondContact O-N 2.9Å; D1071-R1073 PolarHBondContact O-NE 3.11Å; D1071-R1073 IonicContact OD1-CZ 2.64Å; D1071-R1073 IonicContact OD1-NE 2.78Å; D1071-R1073 PolarHBondContact OD1-NE 3.41Å; D1071-R1073 IonicContact OD1-NH2 3.81Å; D1071-R1073 PolarHBondContact OD1-NH2 2.98Å; D1071-R1073 IonicContact OD2-CZ 2.75Å; D1071-R1073 VanDerWaalsContact OD2-CZ 3.29Å; D1071-R1073 IonicContact OD2-NE 2.76Å; D1071-R1073 PolarHBondContact OD2-NE 3.19Å; D1071-R1073 IonicContact OD2-NH2 2.76Å; D1071-R1073 PolarHBondContact OD2-NH2 3.18Å |
| 1074 | W | 88.2 | Confident | 80.1 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 144.2 | 175.1 | -63.1 | 114.1 | 0 | 0 | 0 | 111.9 | T1040 S1041 I1042 V1061 G1062 L1063 D1076 G1077 W1111 | T1040-W1074 WeakPolarHBondContact O-CZ3 3.15Å; S1041-W1074 VanDerWaalsContact CA-CE3 3.42Å; I1042-W1074 HydrophobicContact CB-CH2 3.78Å; I1042-W1074 HydrophobicContact CB-CZ2 3.95Å; I1042-W1074 HydrophobicContact CD1-CH2 4.44Å; I1042-W1074 HydrophobicContact CG1-CH2 3.94Å; I1042-W1074 HydrophobicContact CG1-CZ3 4.5Å; I1042-W1074 VanDerWaalsContact N-CZ2 3.32Å; I1042-W1074 WeakPolarHBondContact O-CZ2 3.33Å; V1061-W1074 HydrophobicContact CB-CZ3 4.05Å; V1061-W1074 HydrophobicContact CG2-CH2 4.48Å; V1061-W1074 HydrophobicContact CG2-CZ3 4.06Å; G1062-W1074 VanDerWaalsContact C-CE3 3.47Å; G1062-W1074 CarbonylContact O-C 3.57Å; G1062-W1074 WeakPolarHBondContact O-CA 3.45Å; L1063-W1074 HydrophobicContact CB-CD2 4.26Å; L1063-W1074 HydrophobicContact CB-CE3 3.68Å; L1063-W1074 HydrophobicContact CB-CH2 3.9Å; L1063-W1074 HydrophobicContact CB-CZ2 4.44Å; L1063-W1074 HydrophobicContact CB-CZ3 3.51Å; L1063-W1074 HydrophobicContact CD1-CD2 3.94Å; L1063-W1074 HydrophobicContact CD1-CE3 4.24Å; L1063-W1074 HydrophobicContact CD1-CG 4.36Å; L1063-W1074 HydrophobicContact CD1-CZ2 4.33Å; L1063-W1074 HydrophobicContact CD2-CH2 4.42Å; L1063-W1074 HydrophobicContact CD2-CZ2 4.46Å; W1074-D1076 VanDerWaalsContact C-N 3.29Å; W1074-D1076 WeakPolarHBondContact CB-OD1 3.46Å; W1074-D1076 PolarHBondContact O-N 2.55Å; W1074-G1077 PolarHBondContact O-N 3.22Å; W1074-G1077 VanDerWaalsContact O-N 3.07Å; W1074-W1111 AromaticContact CH2-CH2 3.92Å; W1074-W1111 HydrophobicContact CH2-CH2 3.92Å; W1074-W1111 HydrophobicContact CH2-CZ2 4.07Å; W1074-W1111 HydrophobicContact CH2-CZ3 4.44Å; W1074-W1111 AromaticContact CZ2-CH2 3.7Å; W1074-W1111 HydrophobicContact CZ2-CH2 3.7Å; W1074-W1111 HydrophobicContact CZ2-CZ2 4.24Å; W1074-W1111 HydrophobicContact CZ2-CZ3 4.27Å |
| 1075 | T | 85.4 | Confident | 80.2 | Confident | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.6 | -178.6 | 45.1 | 0 | 0 | 0 | 0 | 115.3 | W1025 E1029 H1038 G1062 G1077 | W1025-T1075 HydrophobicContact CH2-CG2 3.26Å; W1025-T1075 HydrophobicContact CZ2-CG2 3.41Å; W1025-T1075 VanDerWaalsContact CZ2-CG2 3.41Å; W1025-T1075 HydrophobicContact CZ3-CG2 4.37Å; E1029-T1075 VanDerWaalsContact CD-CB 3.48Å; E1029-T1075 HydrophobicContact CG-CG2 4.17Å; E1029-T1075 WeakPolarHBondContact OE1-CB 3.5Å; E1029-T1075 WeakPolarHBondContact OE2-CB 3.49Å; E1029-T1075 PolarHBondContact OE2-OG1 3.46Å; H1038-T1075 PolarHBondContact ND1-O 2.68Å; G1062-T1075 PolarHBondContact O-N 2.95Å; T1075-G1077 VanDerWaalsContact C-N 3.26Å |
| 1076 | D | 77.9 | Confident | 80.6 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5.7 | 172.9 | 68 | -13.8 | 0 | 0 | 0 | 113.3 | H1038 S1041 W1074 S1078 | H1038-D1076 HydrophobicContact CB-CB 3.93Å; S1041-D1076 VanDerWaalsContact CB-OD2 3.22Å; S1041-D1076 WeakPolarHBondContact CB-OD2 3.45Å; S1041-D1076 PolarHBondContact OG-OD2 2.81Å; W1074-D1076 VanDerWaalsContact C-N 3.29Å; W1074-D1076 WeakPolarHBondContact CB-OD1 3.46Å; W1074-D1076 PolarHBondContact O-N 2.55Å; D1076-S1078 VanDerWaalsContact C-N 3.32Å; D1076-S1078 WeakPolarHBondContact OD1-CB 3.11Å; D1076-S1078 PolarHBondContact OD1-N 3.36Å; D1076-S1078 PolarHBondContact OD1-OG 2.84Å; D1076-S1078 WeakPolarHBondContact OD2-CB 3.48Å; D1076-S1078 PolarHBondContact OD2-OG 3.27Å |
| 1077 | G | 72.1 | Confident | 81 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | trans | 79.8 | 7.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | W1074 T1075 | W1074-G1077 PolarHBondContact O-N 3.22Å; W1074-G1077 VanDerWaalsContact O-N 3.07Å; T1075-G1077 VanDerWaalsContact C-N 3.26Å | ||
| 1078 | S | 76.7 | Confident | 82 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | trans | -60.9 | 146.3 | 173.9 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | D1076 | D1076-S1078 VanDerWaalsContact C-N 3.32Å; D1076-S1078 WeakPolarHBondContact OD1-CB 3.11Å; D1076-S1078 PolarHBondContact OD1-N 3.36Å; D1076-S1078 PolarHBondContact OD1-OG 2.84Å; D1076-S1078 WeakPolarHBondContact OD2-CB 3.48Å; D1076-S1078 PolarHBondContact OD2-OG 3.27Å | ||
| 1079 | P | 73.8 | Confident | 83 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 47% | 0.468 | 34% | 0.339 | S | S | . | . | trans | -70.9 | 139.2 | 175.8 | 30.2 | -34.9 | 0 | 0 | 0 | 110.9 | L1043 Q1081 | L1043-P1079 VanDerWaalsContact CD2-O 3.28Å; L1043-P1079 WeakPolarHBondContact CD2-O 3.41Å; P1079-Q1081 HydrophobicContact CB-CG 4.02Å; P1079-Q1081 HydrophobicContact CG-CG 3.91Å; P1079-Q1081 PolarHBondContact O-N 3.47Å; P1079-Q1081 VanDerWaalsContact O-N 3.1Å | ||
| 1080 | V | 80.3 | Confident | 83.7 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 30% | 0.303 | 33% | 0.329 | S | S | . | . | trans | -70.9 | 107.2 | 167.5 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | L1063 F1072 E1083 | L1063-V1080 HydrophobicContact CD1-CG2 3.73Å; F1072-V1080 WeakPolarHBondContact O-CG2 3.35Å; V1080-E1083 HydrophobicContact CG1-CG 4.02Å | ||
| 1081 | Q | 80.1 | Confident | 84 | Confident | 144 Ų | 144 | 59.3 Ų | 59.3 | 67% | 0.673 | 32% | 0.323 | S | S | * | . | trans | -122 | -20 | -178.5 | -68.3 | -179.9 | -21.1 | 0 | 0 | 112.7 | P1079 | P1079-Q1081 HydrophobicContact CB-CG 4.02Å; P1079-Q1081 HydrophobicContact CG-CG 3.91Å; P1079-Q1081 PolarHBondContact O-N 3.47Å; P1079-Q1081 VanDerWaalsContact O-N 3.1Å | ||
| 1082 | Y | 89.4 | Confident | 83.9 | Confident | 43 Ų | 43 | 60 Ų | 60 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | trans | -129.6 | 144.4 | 178.5 | 174.3 | -103.7 | 0 | 0 | 0 | 108.3 | I1042 L1043 H1045 Q1048 N1084 W1111 | I1042-Y1082 HydrophobicContact CG2-CD1 3.93Å; I1042-Y1082 HydrophobicContact CG2-CE1 4.11Å; L1043-Y1082 WeakPolarHBondContact O-CB 2.88Å; H1045-Y1082 HydrophobicContact CB-CE2 4.06Å; H1045-Y1082 PolarHBondContact ND1-OH 2.88Å; Q1048-Y1082 HydrophobicContact CB-CE1 3.66Å; Q1048-Y1082 HydrophobicContact CG-CE1 3.98Å; Y1082-N1084 HydrophobicContact CE1-CB 3.89Å; Y1082-N1084 PolarHBondContact OH-OD1 2.75Å; Y1082-W1111 HydrophobicContact CD1-CH2 4.1Å; Y1082-W1111 HydrophobicContact CD1-CZ2 4.12Å; Y1082-W1111 HydrophobicContact CE1-CH2 4.47Å; Y1082-W1111 HydrophobicContact CE1-CZ2 4.13Å; Y1082-W1111 WeakPolarHBondContact O-CH2 3.48Å | ||
| 1083 | E | 90.6 | Very high | 83 | Confident | 121 Ų | 121 | 65.7 Ų | 65.7 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | trans | -137.6 | 137.6 | -178.9 | -69.6 | 178.9 | -147.5 | 0 | 0 | 109.4 | V1080 W1085 W1111 | V1080-E1083 HydrophobicContact CG1-CG 4.02Å; E1083-W1085 VanDerWaalsContact OE2-CD1 3.3Å; E1083-W1085 PolarHBondContact OE2-NE1 3.43Å; E1083-W1111 HydrophobicContact CB-CZ3 4.37Å | ||
| 1084 | N | 94.9 | Very high | 82 | Confident | 27 Ų | 27 | 68.7 Ų | 68.7 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | trans | -132.5 | 35.2 | 178.3 | -160.8 | 40.1 | 0 | 0 | 0 | 111.9 | Q1048 Y1082 G1109 Q1110 W1111 | Q1048-N1084 HydrophobicContact CG-CB 4.43Å; Y1082-N1084 HydrophobicContact CE1-CB 3.89Å; Y1082-N1084 PolarHBondContact OH-OD1 2.75Å; N1084-G1109 VanDerWaalsContact ND2-C 3.31Å; N1084-G1109 PolarHBondContact ND2-O 2.85Å; N1084-Q1110 WeakPolarHBondContact ND2-CA 2.99Å; N1084-Q1110 PolarHBondContact ND2-N 3.12Å; N1084-Q1110 CarbonylContact O-C 3.58Å; N1084-Q1110 WeakPolarHBondContact O-CA 3.46Å; N1084-Q1110 WeakPolarHBondContact O-CB 3.43Å; N1084-W1111 HydrophobicContact CB-CD2 4.01Å; N1084-W1111 HydrophobicContact CB-CG 4.31Å; N1084-W1111 HydrophobicContact CB-CZ2 3.91Å; N1084-W1111 PolarHBondContact O-N 2.87Å | ||
| 1085 | W | 94 | Very high | 80.3 | Confident | 38 Ų | 38 | 73 Ų | 73 | 14% | 0.144 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -56.3 | 145.9 | 177.5 | -60.3 | 113.6 | 0 | 0 | 0 | 112.6 | L1063 F1072 E1083 Q1089 P1090 V1101 W1111 D1113 | L1063-W1085 HydrophobicContact CD2-CH2 4.03Å; L1063-W1085 HydrophobicContact CD2-CZ2 3.76Å; F1072-W1085 AromaticContact CD1-CH2 3.82Å; F1072-W1085 HydrophobicContact CD1-CH2 3.82Å; F1072-W1085 HydrophobicContact CD1-CZ2 4.12Å; F1072-W1085 HydrophobicContact CD2-CH2 4.32Å; F1072-W1085 HydrophobicContact CD2-CZ2 4.07Å; F1072-W1085 AromaticContact CE1-CH2 3.73Å; F1072-W1085 HydrophobicContact CE1-CH2 3.73Å; F1072-W1085 HydrophobicContact CE1-CZ2 4.39Å; F1072-W1085 HydrophobicContact CE2-CH2 4.25Å; F1072-W1085 HydrophobicContact CE2-CZ2 4.35Å; F1072-W1085 HydrophobicContact CG-CH2 4.13Å; F1072-W1085 AromaticContact CG-CZ2 3.97Å; F1072-W1085 HydrophobicContact CG-CZ2 3.97Å; F1072-W1085 AromaticContact CZ-CH2 3.96Å; F1072-W1085 HydrophobicContact CZ-CH2 3.96Å; F1072-W1085 HydrophobicContact CZ-CZ2 4.5Å; E1083-W1085 VanDerWaalsContact OE2-CD1 3.3Å; E1083-W1085 PolarHBondContact OE2-NE1 3.43Å; W1085-Q1089 HydrophobicContact CB-CB 4.26Å; W1085-Q1089 WeakPolarHBondContact CB-O 3.46Å; W1085-Q1089 HydrophobicContact CE3-CB 4.17Å; W1085-P1090 HydrophobicContact CE3-CB 4.36Å; W1085-P1090 HydrophobicContact CH2-CB 4.07Å; W1085-P1090 HydrophobicContact CH2-CG 4.19Å; W1085-P1090 HydrophobicContact CZ2-CG 4.15Å; W1085-P1090 HydrophobicContact CZ3-CB 4Å; W1085-P1090 HydrophobicContact CZ3-CG 4.44Å; W1085-V1101 HydrophobicContact CH2-CG1 4.31Å; W1085-V1101 HydrophobicContact CH2-CG2 3.54Å; W1085-V1101 HydrophobicContact CZ3-CG1 4.04Å; W1085-V1101 HydrophobicContact CZ3-CG2 3.91Å; W1085-W1111 HydrophobicContact CD2-CB 4.31Å; W1085-W1111 HydrophobicContact CD2-CE3 4.24Å; W1085-W1111 HydrophobicContact CE3-CB 3.72Å; W1085-W1111 HydrophobicContact CZ3-CB 4.14Å; W1085-D1113 HydrophobicContact CZ3-CB 4.43Å |
| 1086 | R | 93 | Very high | 78.9 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 28% | 0.279 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 161.3 | 167.3 | -58.3 | 168.7 | 85.7 | -149.8 | 5.2 | 110.1 | N1088 Q1089 E1107 Q1110 W1111 N1112 | R1086-N1088 PolarHBondContact O-N 2.96Å; R1086-Q1089 HydrophobicContact CB-CB 4.33Å; R1086-Q1089 HydrophobicContact CB-CG 3.91Å; R1086-Q1089 WeakPolarHBondContact O-CB 3.24Å; R1086-Q1089 PolarHBondContact O-N 3.33Å; R1086-E1107 IonicContact CZ-OE1 3.29Å; R1086-E1107 IonicContact CZ-OE2 2.66Å; R1086-E1107 IonicContact NE-OE2 3.81Å; R1086-E1107 PolarHBondContact NE-OE2 3.28Å; R1086-E1107 VanDerWaalsContact NH2-CD 3.26Å; R1086-E1107 IonicContact NH2-OE1 2.68Å; R1086-E1107 PolarHBondContact NH2-OE1 2.95Å; R1086-E1107 IonicContact NH2-OE2 3.6Å; R1086-E1107 PolarHBondContact NH2-OE2 3.26Å; R1086-Q1110 HydrophobicContact CG-CB 3.53Å; R1086-W1111 WeakPolarHBondContact CG-O 3.22Å; R1086-W1111 PolarHBondContact N-O 3.35Å; R1086-N1112 WeakPolarHBondContact CD-OD1 3.16Å; R1086-N1112 PolarHBondContact NH1-OD1 3.22Å |
| 1087 | P | 90 | Very high | 78.4 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 66% | 0.656 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 129.4 | 173.4 | -25.8 | 35.5 | 0 | 0 | 0 | 112.1 | Q1089 | P1087-Q1089 VanDerWaalsContact C-N 3.3Å; P1087-Q1089 PolarHBondContact O-N 3.14Å |
| 1088 | N | 85.4 | Confident | 78.8 | Confident | 153 Ų | 153 | 72.9 Ų | 72.9 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 20.5 | -175 | -37.8 | -61.5 | 0 | 0 | 0 | 115.6 | R1086 | R1086-N1088 PolarHBondContact O-N 2.96Š|
| 1089 | Q | 85.5 | Confident | 79.3 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | trans | -106.9 | 153.4 | 168.9 | -68.9 | -76.3 | -80.9 | 0 | 0 | 111 | W1085 R1086 P1087 D1091 N1112 D1113 | W1085-Q1089 HydrophobicContact CB-CB 4.26Å; W1085-Q1089 WeakPolarHBondContact CB-O 3.46Å; W1085-Q1089 HydrophobicContact CE3-CB 4.17Å; R1086-Q1089 HydrophobicContact CB-CB 4.33Å; R1086-Q1089 HydrophobicContact CB-CG 3.91Å; R1086-Q1089 WeakPolarHBondContact O-CB 3.24Å; R1086-Q1089 PolarHBondContact O-N 3.33Å; P1087-Q1089 VanDerWaalsContact C-N 3.3Å; P1087-Q1089 PolarHBondContact O-N 3.14Å; Q1089-D1091 PolarHBondContact NE2-OD1 3.49Å; Q1089-N1112 VanDerWaalsContact OE1-CA 3.24Å; Q1089-N1112 PolarHBondContact OE1-ND2 3.46Å; Q1089-N1112 PolarHBondContact OE1-OD1 2.88Å; Q1089-D1113 VanDerWaalsContact OE1-N 3.13Å; Q1089-D1113 PolarHBondContact OE1-OD1 2.99Å | ||
| 1090 | P | 84.9 | Confident | 80.3 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 29% | 0.286 | 38% | 0.377 | S | S | . | . | cis | -72.9 | 146.1 | -8.5 | 30.9 | -33 | 0 | 0 | 0 | 111.8 | F1072 W1085 D1113 | F1072-P1090 HydrophobicContact CD2-CG 4.28Å; F1072-P1090 HydrophobicContact CE2-CB 3.84Å; F1072-P1090 HydrophobicContact CE2-CG 3.51Å; F1072-P1090 HydrophobicContact CZ-CB 3.79Å; F1072-P1090 HydrophobicContact CZ-CG 4Å; W1085-P1090 HydrophobicContact CE3-CB 4.36Å; W1085-P1090 HydrophobicContact CH2-CB 4.07Å; W1085-P1090 HydrophobicContact CH2-CG 4.19Å; W1085-P1090 HydrophobicContact CZ2-CG 4.15Å; W1085-P1090 HydrophobicContact CZ3-CB 4Å; W1085-P1090 HydrophobicContact CZ3-CG 4.44Å; P1090-D1113 WeakPolarHBondContact CA-OD1 3.41Å; P1090-D1113 HydrophobicContact CB-CB 3.96Å; P1090-D1113 VanDerWaalsContact CB-CG 3.42Å; P1090-D1113 VanDerWaalsContact CB-OD1 3.25Å; P1090-D1113 WeakPolarHBondContact CB-OD1 3.5Å | ||
| 1091 | D | 78.3 | Confident | 81 | Confident | 83 Ų | 83 | 67.9 Ų | 67.9 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | trans | -121.3 | -14.8 | 179.3 | 74.4 | -15.7 | 0 | 0 | 0 | 115.3 | Q1089 F1093 D1113 | Q1089-D1091 PolarHBondContact NE2-OD1 3.49Å; D1091-F1093 PolarHBondContact O-N 2.04Å; D1091-F1093 PolarHBondContact OD1-N 3.49Å; D1091-D1113 PolarHBondContact N-OD1 2.03Å | ||
| 1092 | S | 74.5 | Confident | 81.8 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 19% | 0.189 | 33% | 0.333 | C | S | . | . | trans | 48.5 | 44.1 | -179.1 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | F1094 S1095 E1098 D1113 | S1092-F1094 PolarHBondContact O-N 3.49Å; S1092-S1095 WeakPolarHBondContact O-CA 3.26Å; S1092-S1095 PolarHBondContact O-N 2.84Å; S1092-E1098 VanDerWaalsContact C-OE2 3.28Å; S1092-D1113 WeakPolarHBondContact CA-OD2 3.41Å; S1092-D1113 PolarHBondContact N-OD2 3.32Å; S1092-D1113 PolarHBondContact OG-OD2 2.95Å | ||
| 1093 | F | 66.9 | Low | 82.1 | Confident | 150 Ų | 150 | 59.4 Ų | 59.4 | 66% | 0.658 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.8 | -39.2 | -177.6 | -172.2 | -93.3 | 0 | 0 | 0 | 115 | D1091 S1095 E1098 | D1091-F1093 PolarHBondContact O-N 2.04Å; D1091-F1093 PolarHBondContact OD1-N 3.49Å; F1093-S1095 VanDerWaalsContact C-N 3.3Å; F1093-S1095 PolarHBondContact O-N 3.08Å; F1093-E1098 WeakPolarHBondContact CA-OE2 3.46Å; F1093-E1098 VanDerWaalsContact CB-OE2 3.27Å; F1093-E1098 WeakPolarHBondContact CB-OE2 3.33Å; F1093-E1098 PolarHBondContact N-OE2 2.99Å |
| 1094 | F | 59.3 | Low | 82.3 | Confident | 118 Ų | 118 | 54.3 Ų | 54.3 | 52% | 0.518 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 12.1 | 178 | -64.8 | -64.4 | 0 | 0 | 0 | 115.7 | S1092 E1098 P1115 | S1092-F1094 PolarHBondContact O-N 3.49Å; F1094-E1098 HydrophobicContact CB-CG 4.28Å; F1094-E1098 HydrophobicContact CD2-CG 3.99Å; F1094-E1098 VanDerWaalsContact CD2-OE1 3.29Å; F1094-E1098 WeakPolarHBondContact CD2-OE1 3.44Å; F1094-E1098 PolarHBondContact N-OE2 3.45Å; F1094-P1115 HydrophobicContact CD2-CG 4.24Å |
| 1095 | S | 52.4 | Low | 82.1 | Confident | 97 Ų | 97 | 57.5 Ų | 57.5 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 59.2 | 89.4 | 178.2 | 60.3 | 0 | 0 | 0 | 0 | 114.7 | S1092 F1093 | S1092-S1095 WeakPolarHBondContact O-CA 3.26Å; S1092-S1095 PolarHBondContact O-N 2.84Å; F1093-S1095 VanDerWaalsContact C-N 3.3Å; F1093-S1095 PolarHBondContact O-N 3.08Å |
| 1096 | S | 56.7 | Low | 81.8 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 58.7 | 61.5 | 178 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1097 | G | 67.2 | Low | 81.5 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | trans | -168.7 | 17 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D1099 P1115 | G1097-D1099 WeakPolarHBondContact CA-OD1 3.36Å; G1097-P1115 WeakPolarHBondContact O-CA 3.25Å | ||
| 1098 | E | 81.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | trans | -105.5 | 34.9 | -179.6 | -70.4 | -165.3 | 103.6 | 0 | 0 | 112.4 | S1092 F1093 F1094 C1100 D1113 V1114 P1115 | S1092-E1098 VanDerWaalsContact C-OE2 3.28Å; F1093-E1098 WeakPolarHBondContact CA-OE2 3.46Å; F1093-E1098 VanDerWaalsContact CB-OE2 3.27Å; F1093-E1098 WeakPolarHBondContact CB-OE2 3.33Å; F1093-E1098 PolarHBondContact N-OE2 2.99Å; F1094-E1098 HydrophobicContact CB-CG 4.28Å; F1094-E1098 HydrophobicContact CD2-CG 3.99Å; F1094-E1098 VanDerWaalsContact CD2-OE1 3.29Å; F1094-E1098 WeakPolarHBondContact CD2-OE1 3.44Å; F1094-E1098 PolarHBondContact N-OE2 3.45Å; E1098-C1100 PolarHBondContact O-N 2.63Å; E1098-D1113 HydrophobicContact CB-CB 4.4Å; E1098-D1113 WeakPolarHBondContact O-CB 3.4Å; E1098-V1114 CarbonylContact C-O 3.06Å; E1098-V1114 WeakPolarHBondContact CA-O 3.33Å; E1098-V1114 PolarHBondContact O-N 2.89Å; E1098-P1115 HydrophobicContact CG-CG 4Å; E1098-P1115 WeakPolarHBondContact OE1-CD 3.34Å | ||
| 1099 | D | 86.9 | Confident | 81.7 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -61.5 | -2.7 | -162.9 | -52.2 | 6.2 | 0 | 0 | 0 | 116.9 | N1064 D1065 K1066 G1097 | N1064-D1099 CarbonylContact C-O 3.46Å; N1064-D1099 WeakPolarHBondContact CA-O 3.45Å; N1064-D1099 WeakPolarHBondContact CB-O 3.48Å; D1065-D1099 PolarHBondContact N-O 2.93Å; D1065-D1099 WeakPolarHBondContact OD1-CA 3.32Å; K1066-D1099 HydrophobicContact CB-CB 3.72Å; K1066-D1099 HydrophobicContact CG-CB 3.88Å; K1066-D1099 PolarHBondContact N-O 3.32Å; G1097-D1099 WeakPolarHBondContact CA-OD1 3.36Å |
| 1100 | C | 93.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.9 | -169.3 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | W1025 W1060 E1098 V1114 C1116 | W1025-C1100 HydrophobicContact CB-CB 4.2Å; W1025-C1100 HydrophobicContact CD2-CB 4.29Å; W1025-C1100 HydrophobicContact CG-CB 3.86Å; W1060-C1100 HydrophobicContact CH2-CB 4.15Å; W1060-C1100 HydrophobicContact CZ3-CB 3.84Å; E1098-C1100 PolarHBondContact O-N 2.63Å; C1100-V1114 PolarHBondContact N-O 3.32Å; C1100-V1114 VanDerWaalsContact O-CG2 3.28Å; C1100-V1114 WeakPolarHBondContact O-CG2 3.45Å; C1100-V1114 PolarHBondContact O-N 2.98Å; C1100-C1116 HydrophobicContact CB-CB 3.88Å; C1100-C1116 WeakPolarHBondContact CB-SG 3.44Å; C1100-C1116 WeakPolarHBondContact SG-CB 3.47Å; C1100-C1116 CovalentContact SG-SG 2.03Å; C1100-C1116 PolarHBondContact SG-SG 3.16Å |
| 1101 | V | 96.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.2 | -171.5 | -178.8 | 0 | 0 | 0 | 0 | 113.1 | V1061 L1063 F1072 W1085 W1111 N1112 | V1061-V1101 HydrophobicContact CG2-CB 4.02Å; V1061-V1101 HydrophobicContact CG2-CG1 3.88Å; V1061-V1101 WeakPolarHBondContact CG2-O 3.28Å; V1061-V1101 PolarHBondContact N-O 2.86Å; L1063-V1101 HydrophobicContact CB-CB 3.91Å; L1063-V1101 HydrophobicContact CB-CG1 4.41Å; L1063-V1101 HydrophobicContact CB-CG2 3.84Å; L1063-V1101 HydrophobicContact CD2-CG1 4.48Å; L1063-V1101 HydrophobicContact CD2-CG2 4.09Å; L1063-V1101 HydrophobicContact CG-CB 4.49Å; L1063-V1101 HydrophobicContact CG-CG2 3.92Å; L1063-V1101 WeakPolarHBondContact O-CB 3.02Å; L1063-V1101 WeakPolarHBondContact O-CG2 3.46Å; L1063-V1101 PolarHBondContact O-N 3.06Å; F1072-V1101 HydrophobicContact CD1-CG2 3.9Å; F1072-V1101 HydrophobicContact CE1-CG2 3.8Å; W1085-V1101 HydrophobicContact CH2-CG1 4.31Å; W1085-V1101 HydrophobicContact CH2-CG2 3.54Å; W1085-V1101 HydrophobicContact CZ3-CG1 4.04Å; W1085-V1101 HydrophobicContact CZ3-CG2 3.91Å; V1101-W1111 HydrophobicContact CG1-CB 3.71Å; V1101-W1111 HydrophobicContact CG1-CG 4.11Å; V1101-N1112 WeakPolarHBondContact CA-O 3.04Å |
| 1102 | V | 96.1 | Very high | 83.5 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.7 | 172.3 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | W1060 W1111 N1112 V1114 L1120 | W1060-V1102 HydrophobicContact CE3-CB 4.31Å; W1060-V1102 HydrophobicContact CZ3-CB 4.27Å; V1102-W1111 WeakPolarHBondContact O-CA 3.4Å; V1102-N1112 HydrophobicContact CG1-CB 3.76Å; V1102-N1112 PolarHBondContact N-O 2.81Å; V1102-N1112 PolarHBondContact O-N 2.84Å; V1102-N1112 VanDerWaalsContact O-N 3.09Å; V1102-V1114 HydrophobicContact CB-CG2 3.95Å; V1102-V1114 HydrophobicContact CG1-CB 4.39Å; V1102-V1114 HydrophobicContact CG1-CG1 3.79Å; V1102-V1114 HydrophobicContact CG1-CG2 3.63Å; V1102-L1120 HydrophobicContact CB-CD1 3.89Å; V1102-L1120 HydrophobicContact CG2-CD1 3.45Å; V1102-L1120 VanDerWaalsContact CG2-CD1 3.45Å |
| 1103 | M | 96.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.4 | 167.3 | -178 | -174.5 | -62.3 | 0 | 0 | 111 | I1042 Q1048 V1051 N1052 Q1059 V1061 G1109 | I1042-M1103 HydrophobicContact CD1-CE 3.23Å; Q1048-M1103 VanDerWaalsContact NE2-CE 3.35Å; V1051-M1103 HydrophobicContact CB-CE 4.25Å; V1051-M1103 HydrophobicContact CG1-CE 3.62Å; V1051-M1103 HydrophobicContact CG1-SD 4.32Å; N1052-M1103 HydrophobicContact CB-SD 3.87Å; N1052-M1103 PolarHBondContact OD1-SD 3.29Å; Q1059-M1103 HydrophobicContact CG-CB 3.92Å; Q1059-M1103 HydrophobicContact CG-CG 4.49Å; Q1059-M1103 HydrophobicContact CG-SD 4.29Å; Q1059-M1103 PolarHBondContact N-O 2.97Å; Q1059-M1103 PolarHBondContact NE2-SD 3.16Å; Q1059-M1103 VanDerWaalsContact NE2-SD 3.41Å; Q1059-M1103 PolarHBondContact O-N 3.38Å; V1061-M1103 HydrophobicContact CG1-CB 4.03Å; V1061-M1103 HydrophobicContact CG1-CE 3.85Å; M1103-G1109 WeakPolarHBondContact CG-O 3.43Å |
| 1104 | I | 93.9 | Very high | 85.5 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 102.8 | 177.4 | -56 | -163.7 | 0 | 0 | 0 | 110.1 | Y1058 H1106 E1107 G1109 Q1110 N1112 | Y1058-I1104 HydrophobicContact CD1-CG2 4.3Å; Y1058-I1104 HydrophobicContact CE1-CB 4.48Å; Y1058-I1104 HydrophobicContact CE1-CG2 3.74Å; I1104-H1106 PolarHBondContact O-N 2.75Å; I1104-E1107 HydrophobicContact CB-CB 4.45Å; I1104-E1107 HydrophobicContact CG2-CB 4Å; I1104-E1107 HydrophobicContact CG2-CG 3.87Å; I1104-E1107 PolarHBondContact O-N 3.05Å; I1104-G1109 VanDerWaalsContact O-CA 3.23Å; I1104-G1109 WeakPolarHBondContact O-CA 3.1Å; I1104-G1109 PolarHBondContact O-N 2.72Å; I1104-G1109 VanDerWaalsContact O-N 3.15Å; I1104-Q1110 PolarHBondContact N-O 3.06Å; I1104-N1112 HydrophobicContact CD1-CB 4.3Å |
| 1105 | W | 90.7 | Very high | 87 | Confident | 95 Ų | 95 | 35 Ų | 35 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -40.2 | -163 | 93.9 | -92 | 0 | 0 | 0 | 115.2 | N1052 Q1056 | N1052-W1105 PolarHBondContact ND2-O 3.02Å; N1052-W1105 VanDerWaalsContact OD1-CA 3.29Å; N1052-W1105 WeakPolarHBondContact OD1-CA 3.37Å; N1052-W1105 PolarHBondContact OD1-O 3.11Å; Q1056-W1105 HydrophobicContact CB-CD2 4.42Å; Q1056-W1105 HydrophobicContact CB-CE3 4.45Å; Q1056-W1105 HydrophobicContact CB-CH2 4.4Å; Q1056-W1105 HydrophobicContact CB-CZ2 4.35Å; Q1056-W1105 HydrophobicContact CB-CZ3 4.44Å; Q1056-W1105 HydrophobicContact CG-CE3 4.48Å; Q1056-W1105 HydrophobicContact CG-CH2 4.37Å; Q1056-W1105 HydrophobicContact CG-CZ3 4.19Å; Q1056-W1105 PolarHBondContact O-NE1 2.99Å |
| 1106 | H | 87.9 | Confident | 88.8 | Confident | 107 Ų | 107 | 31.3 Ų | 31.3 | 50% | 0.495 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -18.8 | -173.8 | 65.7 | -89.2 | 0 | 0 | 0 | 113.5 | Y1058 I1104 G1108 | Y1058-H1106 AromaticContact CE1-CE1 3.9Å; Y1058-H1106 AromaticContact CE1-ND1 3.89Å; Y1058-H1106 PolarHBondContact OH-CE1 3.33Å; I1104-H1106 PolarHBondContact O-N 2.75Å; H1106-G1108 PolarHBondContact O-N 3.36Å; H1106-G1108 VanDerWaalsContact O-N 3.16Å |
| 1107 | E | 86.9 | Confident | 90.3 | Very high | 67 Ų | 67 | 32.3 Ų | 32.3 | 31% | 0.313 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 46.1 | 173.7 | -63.2 | -172.6 | -177.8 | 0 | 0 | 110.6 | R1086 I1104 G1109 Q1110 | R1086-E1107 IonicContact CZ-OE1 3.29Å; R1086-E1107 IonicContact CZ-OE2 2.66Å; R1086-E1107 IonicContact NE-OE2 3.81Å; R1086-E1107 PolarHBondContact NE-OE2 3.28Å; R1086-E1107 VanDerWaalsContact NH2-CD 3.26Å; R1086-E1107 IonicContact NH2-OE1 2.68Å; R1086-E1107 PolarHBondContact NH2-OE1 2.95Å; R1086-E1107 IonicContact NH2-OE2 3.6Å; R1086-E1107 PolarHBondContact NH2-OE2 3.26Å; I1104-E1107 HydrophobicContact CB-CB 4.45Å; I1104-E1107 HydrophobicContact CG2-CB 4Å; I1104-E1107 HydrophobicContact CG2-CG 3.87Å; I1104-E1107 PolarHBondContact O-N 3.05Å; E1107-G1109 PolarHBondContact O-N 2.84Å; E1107-Q1110 WeakPolarHBondContact O-CB 3.45Å; E1107-Q1110 WeakPolarHBondContact O-CG 3.06Å; E1107-Q1110 PolarHBondContact O-N 3.22Å; E1107-Q1110 VanDerWaalsContact O-N 3.08Å |
| 1108 | G | 86.2 | Confident | 91.5 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 55% | 0.546 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 12.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H1106 | H1106-G1108 PolarHBondContact O-N 3.36Å; H1106-G1108 VanDerWaalsContact O-N 3.16Å |
| 1109 | G | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 28.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1048 N1052 N1084 M1103 I1104 E1107 W1111 | Q1048-G1109 PolarHBondContact NE2-O 2.68Å; N1052-G1109 PolarHBondContact ND2-N 3.02Å; N1052-G1109 WeakPolarHBondContact OD1-CA 3.19Å; N1084-G1109 VanDerWaalsContact ND2-C 3.31Å; N1084-G1109 PolarHBondContact ND2-O 2.85Å; M1103-G1109 WeakPolarHBondContact CG-O 3.43Å; I1104-G1109 VanDerWaalsContact O-CA 3.23Å; I1104-G1109 WeakPolarHBondContact O-CA 3.1Å; I1104-G1109 PolarHBondContact O-N 2.72Å; I1104-G1109 VanDerWaalsContact O-N 3.15Å; E1107-G1109 PolarHBondContact O-N 2.84Å; G1109-W1111 VanDerWaalsContact O-CD1 3.27Å; G1109-W1111 PolarHBondContact O-NE1 2.69Å |
| 1110 | Q | 95.7 | Very high | 92.7 | Very high | 58 Ų | 58 | 39.6 Ų | 39.6 | 27% | 0.271 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 156.5 | 174.1 | -75.6 | -175.5 | -32 | 0 | 0 | 112.9 | N1084 R1086 I1104 E1107 | N1084-Q1110 WeakPolarHBondContact ND2-CA 2.99Å; N1084-Q1110 PolarHBondContact ND2-N 3.12Å; N1084-Q1110 CarbonylContact O-C 3.58Å; N1084-Q1110 WeakPolarHBondContact O-CA 3.46Å; N1084-Q1110 WeakPolarHBondContact O-CB 3.43Å; R1086-Q1110 HydrophobicContact CG-CB 3.53Å; I1104-Q1110 PolarHBondContact N-O 3.06Å; E1107-Q1110 WeakPolarHBondContact O-CB 3.45Å; E1107-Q1110 WeakPolarHBondContact O-CG 3.06Å; E1107-Q1110 PolarHBondContact O-N 3.22Å; E1107-Q1110 VanDerWaalsContact O-N 3.08Å |
| 1111 | W | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 142.4 | -170.1 | -54.6 | -12.6 | 0 | 0 | 0 | 112.9 | I1042 L1063 W1074 Y1082 E1083 N1084 W1085 R1086 V1101 V1102 G1109 | I1042-W1111 HydrophobicContact CB-CZ2 4.03Å; I1042-W1111 HydrophobicContact CD1-CZ2 4.21Å; I1042-W1111 HydrophobicContact CG2-CZ2 4.2Å; L1063-W1111 HydrophobicContact CD2-CE3 3.61Å; L1063-W1111 HydrophobicContact CD2-CH2 4.5Å; L1063-W1111 HydrophobicContact CD2-CZ3 3.53Å; W1074-W1111 AromaticContact CH2-CH2 3.92Å; W1074-W1111 HydrophobicContact CH2-CH2 3.92Å; W1074-W1111 HydrophobicContact CH2-CZ2 4.07Å; W1074-W1111 HydrophobicContact CH2-CZ3 4.44Å; W1074-W1111 AromaticContact CZ2-CH2 3.7Å; W1074-W1111 HydrophobicContact CZ2-CH2 3.7Å; W1074-W1111 HydrophobicContact CZ2-CZ2 4.24Å; W1074-W1111 HydrophobicContact CZ2-CZ3 4.27Å; Y1082-W1111 HydrophobicContact CD1-CH2 4.1Å; Y1082-W1111 HydrophobicContact CD1-CZ2 4.12Å; Y1082-W1111 HydrophobicContact CE1-CH2 4.47Å; Y1082-W1111 HydrophobicContact CE1-CZ2 4.13Å; Y1082-W1111 WeakPolarHBondContact O-CH2 3.48Å; E1083-W1111 HydrophobicContact CB-CZ3 4.37Å; N1084-W1111 HydrophobicContact CB-CD2 4.01Å; N1084-W1111 HydrophobicContact CB-CG 4.31Å; N1084-W1111 HydrophobicContact CB-CZ2 3.91Å; N1084-W1111 PolarHBondContact O-N 2.87Å; W1085-W1111 HydrophobicContact CD2-CB 4.31Å; W1085-W1111 HydrophobicContact CD2-CE3 4.24Å; W1085-W1111 HydrophobicContact CE3-CB 3.72Å; W1085-W1111 HydrophobicContact CZ3-CB 4.14Å; R1086-W1111 WeakPolarHBondContact CG-O 3.22Å; R1086-W1111 PolarHBondContact N-O 3.35Å; V1101-W1111 HydrophobicContact CG1-CB 3.71Å; V1101-W1111 HydrophobicContact CG1-CG 4.11Å; V1102-W1111 WeakPolarHBondContact O-CA 3.4Å; G1109-W1111 VanDerWaalsContact O-CD1 3.27Å; G1109-W1111 PolarHBondContact O-NE1 2.69Å |
| 1112 | N | 94 | Very high | 93 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.6 | 175.6 | -148.2 | 106.1 | 0 | 0 | 0 | 108.1 | R1086 Q1089 V1101 V1102 I1104 V1114 | R1086-N1112 WeakPolarHBondContact CD-OD1 3.16Å; R1086-N1112 PolarHBondContact NH1-OD1 3.22Å; Q1089-N1112 VanDerWaalsContact OE1-CA 3.24Å; Q1089-N1112 PolarHBondContact OE1-ND2 3.46Å; Q1089-N1112 PolarHBondContact OE1-OD1 2.88Å; V1101-N1112 WeakPolarHBondContact CA-O 3.04Å; V1102-N1112 HydrophobicContact CG1-CB 3.76Å; V1102-N1112 PolarHBondContact N-O 2.81Å; V1102-N1112 PolarHBondContact O-N 2.84Å; V1102-N1112 VanDerWaalsContact O-N 3.09Å; I1104-N1112 HydrophobicContact CD1-CB 4.3Å; N1112-V1114 HydrophobicContact CB-CG1 4.49Å |
| 1113 | D | 92 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 139.6 | 164.9 | 64.5 | -50.4 | 0 | 0 | 0 | 109 | F1072 W1085 Q1089 P1090 D1091 S1092 E1098 | F1072-D1113 HydrophobicContact CE1-CB 4.38Å; F1072-D1113 HydrophobicContact CZ-CB 4.18Å; W1085-D1113 HydrophobicContact CZ3-CB 4.43Å; Q1089-D1113 VanDerWaalsContact OE1-N 3.13Å; Q1089-D1113 PolarHBondContact OE1-OD1 2.99Å; P1090-D1113 WeakPolarHBondContact CA-OD1 3.41Å; P1090-D1113 HydrophobicContact CB-CB 3.96Å; P1090-D1113 VanDerWaalsContact CB-CG 3.42Å; P1090-D1113 VanDerWaalsContact CB-OD1 3.25Å; P1090-D1113 WeakPolarHBondContact CB-OD1 3.5Å; D1091-D1113 PolarHBondContact N-OD1 2.03Å; S1092-D1113 WeakPolarHBondContact CA-OD2 3.41Å; S1092-D1113 PolarHBondContact N-OD2 3.32Å; S1092-D1113 PolarHBondContact OG-OD2 2.95Å; E1098-D1113 HydrophobicContact CB-CB 4.4Å; E1098-D1113 WeakPolarHBondContact O-CB 3.4Å |
| 1114 | V | 92.1 | Very high | 93.1 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 161.7 | -174.5 | -69.8 | 0 | 0 | 0 | 0 | 112 | W1060 E1098 C1100 V1102 N1112 C1116 Y1118 | W1060-V1114 HydrophobicContact CH2-CG2 3.61Å; W1060-V1114 HydrophobicContact CZ3-CG2 3.43Å; W1060-V1114 VanDerWaalsContact CZ3-CG2 3.43Å; E1098-V1114 CarbonylContact C-O 3.06Å; E1098-V1114 WeakPolarHBondContact CA-O 3.33Å; E1098-V1114 PolarHBondContact O-N 2.89Å; C1100-V1114 PolarHBondContact N-O 3.32Å; C1100-V1114 VanDerWaalsContact O-CG2 3.28Å; C1100-V1114 WeakPolarHBondContact O-CG2 3.45Å; C1100-V1114 PolarHBondContact O-N 2.98Å; V1102-V1114 HydrophobicContact CB-CG2 3.95Å; V1102-V1114 HydrophobicContact CG1-CB 4.39Å; V1102-V1114 HydrophobicContact CG1-CG1 3.79Å; V1102-V1114 HydrophobicContact CG1-CG2 3.63Å; N1112-V1114 HydrophobicContact CB-CG1 4.49Å; V1114-C1116 PolarHBondContact O-N 3.08Å; V1114-Y1118 HydrophobicContact CB-CD2 4.07Å; V1114-Y1118 HydrophobicContact CB-CE2 4.04Å; V1114-Y1118 HydrophobicContact CG1-CE2 4.23Å; V1114-Y1118 HydrophobicContact CG2-CD2 4.33Å |
| 1115 | P | 91 | Very high | 93.1 | Very high | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | trans | -63.9 | 127.1 | 178.7 | -21.8 | 34.5 | 0 | 0 | 0 | 112.9 | F1094 G1097 E1098 N1117 Y1118 | F1094-P1115 HydrophobicContact CD2-CG 4.24Å; G1097-P1115 WeakPolarHBondContact O-CA 3.25Å; E1098-P1115 HydrophobicContact CG-CG 4Å; E1098-P1115 WeakPolarHBondContact OE1-CD 3.34Å; P1115-N1117 PolarHBondContact O-N 2.85Å; P1115-Y1118 HydrophobicContact CB-CE1 4.35Å; P1115-Y1118 HydrophobicContact CG-CE1 4.21Å; P1115-Y1118 PolarHBondContact O-N 3.1Å; P1115-Y1118 VanDerWaalsContact O-N 3.12Å | ||
| 1116 | C | 90.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -12.6 | -178.2 | -58 | 0 | 0 | 0 | 0 | 115.8 | W1025 C1100 V1114 | W1025-C1116 HydrophobicContact CB-CB 4.16Å; W1025-C1116 PolarHBondContact N-O 2.92Å; C1100-C1116 HydrophobicContact CB-CB 3.88Å; C1100-C1116 WeakPolarHBondContact CB-SG 3.44Å; C1100-C1116 WeakPolarHBondContact SG-CB 3.47Å; C1100-C1116 CovalentContact SG-SG 2.03Å; C1100-C1116 PolarHBondContact SG-SG 3.16Å; V1114-C1116 PolarHBondContact O-N 3.08Å |
| 1117 | N | 88.3 | Confident | 93 | Very high | 113 Ų | 113 | 30.8 Ų | 30.8 | 60% | 0.604 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.1 | -179.5 | 67.8 | 13.2 | 0 | 0 | 0 | 113.9 | P1115 H1119 | P1115-N1117 PolarHBondContact O-N 2.85Å; N1117-H1119 PolarHBondContact O-CE1 3.21Å; N1117-H1119 PolarHBondContact O-ND1 3.46Å |
| 1118 | Y | 92.7 | Very high | 92.9 | Very high | 103 Ų | 103 | 28.3 Ų | 28.3 | 40% | 0.404 | 16% | 0.155 | S | C | . | . | trans | -62.5 | 142.2 | 177.1 | -73.5 | -2.2 | 0 | 0 | 0 | 112.2 | G1024 W1060 V1114 P1115 L1120 | G1024-Y1118 WeakPolarHBondContact CA-O 3.45Å; W1060-Y1118 WeakPolarHBondContact CZ2-O 3.45Å; W1060-Y1118 PolarHBondContact NE1-O 3Å; V1114-Y1118 HydrophobicContact CB-CD2 4.07Å; V1114-Y1118 HydrophobicContact CB-CE2 4.04Å; V1114-Y1118 HydrophobicContact CG1-CE2 4.23Å; V1114-Y1118 HydrophobicContact CG2-CD2 4.33Å; P1115-Y1118 HydrophobicContact CB-CE1 4.35Å; P1115-Y1118 HydrophobicContact CG-CE1 4.21Å; P1115-Y1118 PolarHBondContact O-N 3.1Å; P1115-Y1118 VanDerWaalsContact O-N 3.12Å; Y1118-L1120 PolarHBondContact O-N 3.24Å | ||
| 1119 | H | 96 | Very high | 92.7 | Very high | 120 Ų | 120 | 26.6 Ų | 26.6 | 56% | 0.556 | 13% | 0.134 | S | C | * | . | trans | -99.3 | 90.8 | -176.1 | -78.2 | 56.4 | 0 | 0 | 0 | 110.8 | R1022 N1117 | R1022-H1119 HydrophobicContact CB-CB 4.31Å; R1022-H1119 WeakPolarHBondContact CD-O 3.42Å; R1022-H1119 PolarHBondContact NH1-O 3.05Å; N1117-H1119 PolarHBondContact O-CE1 3.21Å; N1117-H1119 PolarHBondContact O-ND1 3.46Å | ||
| 1120 | L | 96.8 | Very high | 92.3 | Very high | 16 Ų | 16 | 27.6 Ų | 27.6 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 162.1 | -174.5 | -55 | -176.9 | 0 | 0 | 0 | 111.4 | R1022 K1023 W1060 V1102 Y1118 | R1022-L1120 CarbonylContact C-O 3.59Å; R1022-L1120 VanDerWaalsContact CA-O 3.28Å; R1022-L1120 WeakPolarHBondContact CA-O 3.49Å; K1023-L1120 PolarHBondContact N-O 2.98Å; K1023-L1120 PolarHBondContact O-N 3.34Å; W1060-L1120 HydrophobicContact CD2-CB 4.24Å; W1060-L1120 HydrophobicContact CD2-CD1 3.93Å; W1060-L1120 HydrophobicContact CD2-CG 4.43Å; W1060-L1120 HydrophobicContact CE3-CD1 4.02Å; W1060-L1120 HydrophobicContact CG-CB 4.23Å; W1060-L1120 HydrophobicContact CH2-CD1 4.11Å; W1060-L1120 HydrophobicContact CZ2-CD1 3.99Å; W1060-L1120 HydrophobicContact CZ2-CG 4.21Å; W1060-L1120 HydrophobicContact CZ3-CD1 4.12Å; V1102-L1120 HydrophobicContact CB-CD1 3.89Å; V1102-L1120 HydrophobicContact CG2-CD1 3.45Å; V1102-L1120 VanDerWaalsContact CG2-CD1 3.45Å; Y1118-L1120 PolarHBondContact O-N 3.24Å |
| 1121 | T | 97.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 173.7 | 168.4 | 67.2 | 0 | 0 | 0 | 0 | 109.8 | F1018 F1019 R1022 D1057 Y1058 Q1059 W1060 | F1018-T1121 HydrophobicContact CE2-CG2 4.44Å; F1018-T1121 WeakPolarHBondContact CE2-OG1 3.39Å; F1018-T1121 HydrophobicContact CZ-CG2 4.03Å; F1019-T1121 WeakPolarHBondContact O-CB 3.39Å; R1022-T1121 HydrophobicContact CG-CG2 4.13Å; D1057-T1121 HydrophobicContact CB-CG2 4.04Å; D1057-T1121 WeakPolarHBondContact OD2-CG2 3.49Å; Y1058-T1121 PolarHBondContact O-N 2.93Å; Y1058-T1121 PolarHBondContact O-OG1 3.24Å; Q1059-T1121 CarbonylContact C-O 3.54Å; Q1059-T1121 VanDerWaalsContact CA-O 3.24Å; Q1059-T1121 WeakPolarHBondContact CA-O 3.17Å; Q1059-T1121 WeakPolarHBondContact CB-OG1 3.4Å; W1060-T1121 PolarHBondContact N-O 2.85Å |
| 1122 | F | 98 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 153.4 | -179.3 | 56.3 | -83.6 | 0 | 0 | 0 | 112.9 | F1019 Q1021 K1023 A1028 E1031 L1039 W1060 | F1019-F1122 HydrophobicContact CB-CD1 4.07Å; F1019-F1122 HydrophobicContact CB-CD2 3.88Å; F1019-F1122 HydrophobicContact CB-CE1 3.75Å; F1019-F1122 HydrophobicContact CB-CE2 3.54Å; F1019-F1122 HydrophobicContact CB-CG 4.12Å; F1019-F1122 HydrophobicContact CB-CZ 3.47Å; F1019-F1122 VanDerWaalsContact CB-CZ 3.47Å; F1019-F1122 HydrophobicContact CD1-CE2 4.16Å; F1019-F1122 HydrophobicContact CD1-CZ 4.09Å; F1019-F1122 AromaticContact CD2-CD2 3.98Å; F1019-F1122 HydrophobicContact CD2-CD2 3.98Å; F1019-F1122 AromaticContact CD2-CE2 3.6Å; F1019-F1122 HydrophobicContact CD2-CE2 3.6Å; F1019-F1122 HydrophobicContact CD2-CZ 4.29Å; F1019-F1122 HydrophobicContact CE2-CE2 4.34Å; F1019-F1122 HydrophobicContact CG-CD2 4.12Å; F1019-F1122 HydrophobicContact CG-CE1 4.48Å; F1019-F1122 AromaticContact CG-CE2 3.51Å; F1019-F1122 HydrophobicContact CG-CE2 3.51Å; F1019-F1122 AromaticContact CG-CZ 3.71Å; F1019-F1122 HydrophobicContact CG-CZ 3.71Å; F1019-F1122 PolarHBondContact N-O 2.87Å; F1019-F1122 PolarHBondContact O-N 3.14Å; Q1021-F1122 VanDerWaalsContact O-CE1 3.23Å; Q1021-F1122 WeakPolarHBondContact O-CE1 3.39Å; K1023-F1122 HydrophobicContact CB-CE1 4.24Å; K1023-F1122 HydrophobicContact CD-CE1 3.87Å; K1023-F1122 HydrophobicContact CD-CZ 4.11Å; K1023-F1122 HydrophobicContact CG-CE1 3.98Å; A1028-F1122 HydrophobicContact CB-CB 3.95Å; A1028-F1122 HydrophobicContact CB-CD1 3.66Å; A1028-F1122 HydrophobicContact CB-CD2 3.99Å; A1028-F1122 HydrophobicContact CB-CE1 4.08Å; A1028-F1122 HydrophobicContact CB-CE2 4.37Å; A1028-F1122 HydrophobicContact CB-CG 3.62Å; A1028-F1122 HydrophobicContact CB-CZ 4.42Å; E1031-F1122 HydrophobicContact CB-CE2 3.94Å; E1031-F1122 HydrophobicContact CB-CZ 3.88Å; E1031-F1122 HydrophobicContact CG-CE2 4.02Å; E1031-F1122 HydrophobicContact CG-CZ 3.88Å; L1039-F1122 HydrophobicContact CD2-CB 3.66Å; L1039-F1122 HydrophobicContact CD2-CD2 4.13Å; L1039-F1122 HydrophobicContact CD2-CG 4.26Å; W1060-F1122 HydrophobicContact CB-CB 4.02Å |
| 1123 | T | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.3 | 169.9 | -70.8 | 0 | 0 | 0 | 0 | 110.3 | K1017 T1040 V1051 L1054 Q1059 | K1017-T1123 WeakPolarHBondContact O-CA 3.48Å; T1040-T1123 WeakPolarHBondContact CB-O 3.38Å; T1040-T1123 HydrophobicContact CG2-CG2 4.13Å; T1040-T1123 PolarHBondContact N-O 2.67Å; V1051-T1123 HydrophobicContact CG1-CG2 4.43Å; L1054-T1123 HydrophobicContact CD1-CG2 4.02Å; Q1059-T1123 PolarHBondContact OE1-OG1 2.71Å |
| 1124 | C | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 148.2 | 171.3 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | W1008 Y1016 K1017 F1019 C1032 A1037 H1038 | W1008-C1124 HydrophobicContact CH2-CB 3.88Å; W1008-C1124 HydrophobicContact CZ3-CB 4.15Å; Y1016-C1124 CarbonylContact C-O 3.09Å; Y1016-C1124 VanDerWaalsContact CA-O 3.24Å; Y1016-C1124 WeakPolarHBondContact CA-O 3.34Å; K1017-C1124 PolarHBondContact N-O 3.49Å; K1017-C1124 PolarHBondContact O-N 3Å; F1019-C1124 HydrophobicContact CE2-CB 4.12Å; F1019-C1124 WeakPolarHBondContact CE2-SG 3.26Å; C1032-C1124 WeakPolarHBondContact CA-SG 3.49Å; C1032-C1124 HydrophobicContact CB-CB 3.71Å; C1032-C1124 WeakPolarHBondContact CB-SG 3.44Å; C1032-C1124 VanDerWaalsContact SG-CA 3.52Å; C1032-C1124 WeakPolarHBondContact SG-CB 3.35Å; C1032-C1124 CovalentContact SG-SG 2.04Å; C1032-C1124 PolarHBondContact SG-SG 3.15Å; A1037-C1124 HydrophobicContact CB-CB 4.04Å; H1038-C1124 CarbonylContact O-C 3.47Å; H1038-C1124 WeakPolarHBondContact O-CA 3.38Å |
| 1125 | K | 94.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.3 | 175.8 | 179.7 | -175.4 | 178.4 | 176.9 | 0 | 110.4 | H1014 C1015 Y1016 A1037 H1038 S1041 E1047 | H1014-K1125 HydrophobicContact CB-CG 4.34Å; H1014-K1125 VanDerWaalsContact CD2-CE 3.41Å; H1014-K1125 WeakPolarHBondContact CD2-CE 3.2Å; C1015-K1125 WeakPolarHBondContact O-CA 3.35Å; Y1016-K1125 HydrophobicContact CD1-CB 4Å; Y1016-K1125 HydrophobicContact CD1-CD 4.34Å; Y1016-K1125 HydrophobicContact CD1-CG 3.96Å; Y1016-K1125 HydrophobicContact CE1-CB 4.12Å; Y1016-K1125 HydrophobicContact CE1-CD 3.61Å; Y1016-K1125 HydrophobicContact CE1-CG 3.63Å; Y1016-K1125 WeakPolarHBondContact OH-CE 3.16Å; A1037-K1125 WeakPolarHBondContact CA-O 3.12Å; A1037-K1125 WeakPolarHBondContact CB-O 3.16Å; H1038-K1125 PolarHBondContact N-O 2.68Å; H1038-K1125 PolarHBondContact O-N 2.75Å; S1041-K1125 PolarHBondContact O-NZ 2.04Å; S1041-K1125 WeakPolarHBondContact OG-CD 3.49Å; S1041-K1125 PolarHBondContact OG-NZ 2.89Å; E1047-K1125 VanDerWaalsContact OE1-CE 3.31Å; E1047-K1125 WeakPolarHBondContact OE1-CE 3.42Å; E1047-K1125 IonicContact OE1-NZ 2.71Å; E1047-K1125 PolarHBondContact OE1-NZ 2.8Å; E1047-K1125 IonicContact OE2-NZ 2.77Å |
| 1126 | K | 89.5 | Confident | 91.2 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 159.2 | 168.4 | 61.5 | -177.3 | 178.2 | 177.7 | 0 | 111.7 | D1005 W1008 H1014 C1015 G1036 A1037 | D1005-K1126 WeakPolarHBondContact OD2-CE 3.39Å; D1005-K1126 IonicContact OD2-NZ 3.47Å; D1005-K1126 PolarHBondContact OD2-NZ 3.48Å; W1008-K1126 HydrophobicContact CE3-CG 4.31Å; W1008-K1126 HydrophobicContact CH2-CD 4.2Å; W1008-K1126 HydrophobicContact CH2-CG 4.38Å; W1008-K1126 HydrophobicContact CZ3-CD 4.22Å; W1008-K1126 HydrophobicContact CZ3-CG 3.95Å; H1014-K1126 WeakPolarHBondContact CA-O 3.23Å; C1015-K1126 HydrophobicContact CB-CG 4.02Å; C1015-K1126 PolarHBondContact N-O 3.38Å; C1015-K1126 PolarHBondContact O-N 3.08Å; G1036-K1126 VanDerWaalsContact O-CB 3.26Å; G1036-K1126 WeakPolarHBondContact O-CB 3.5Å; G1036-K1126 WeakPolarHBondContact O-CD 3.13Å; A1037-K1126 HydrophobicContact CB-CB 3.87Å; A1037-K1126 HydrophobicContact CB-CD 4.37Å; A1037-K1126 HydrophobicContact CB-CG 4.38Å |
| 1127 | G | 85.7 | Confident | 91.3 | Very high | 10 Ų | 10 | 39 Ų | 39 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 147.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1149 E1151 | G1127-R1149 PolarHBondContact O-NH1 3.31Å; G1127-R1149 PolarHBondContact O-NH2 2.69Å; G1127-E1151 PolarHBondContact N-OE2 2.79Å |
| 1128 | T | 85.8 | Confident | 91.5 | Very high | 14 Ų | 14 | 41 Ų | 41 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -64.1 | -57.9 | 171.8 | 45.2 | 0 | 0 | 0 | 0 | 110.7 | P990 S991 K1010 G1013 R1149 | P990-T1128 PolarHBondContact O-OG1 2.91Å; S991-T1128 VanDerWaalsContact CB-OG1 3.28Å; S991-T1128 WeakPolarHBondContact CB-OG1 3.26Å; S991-T1128 WeakPolarHBondContact OG-CB 3.32Å; S991-T1128 WeakPolarHBondContact OG-CG2 3.35Å; S991-T1128 PolarHBondContact OG-OG1 2.89Å; K1010-T1128 HydrophobicContact CD-CG2 4.29Å; K1010-T1128 HydrophobicContact CG-CG2 4.21Å; G1013-T1128 WeakPolarHBondContact O-CB 3.36Å; G1013-T1128 WeakPolarHBondContact O-CG2 3.33Å; G1013-T1128 PolarHBondContact O-N 2.77Å; G1013-T1128 VanDerWaalsContact O-N 3.12Å; G1013-T1128 PolarHBondContact O-OG1 2.79Å; T1128-R1149 PolarHBondContact O-NH2 2.96Å |
| 1129 | V | 82.3 | Confident | 91.4 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 11% | 0.109 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -83 | 153.7 | 166.7 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | P990 E1002 I1152 | P990-V1129 HydrophobicContact CB-CG2 3.47Å; P990-V1129 VanDerWaalsContact CB-CG2 3.47Å; E1002-V1129 HydrophobicContact CG-CG1 3.89Å; V1129-I1152 HydrophobicContact CG2-CD1 3.91Å |
| 1130 | A | 83.8 | Confident | 91.1 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | trans | -158.9 | 162.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108 | R1149 Y1150 | A1130-R1149 HydrophobicContact CB-CG 3.47Å; A1130-R1149 VanDerWaalsContact CB-CG 3.47Å; A1130-Y1150 WeakPolarHBondContact CB-O 3.29Å | ||
| 1131 | C | 85.7 | Confident | 90.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -81.2 | 144.2 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 112 | Y1150 C1174 G1178 R1179 W1180 | C1131-Y1150 PolarHBondContact N-O 3.11Å; C1131-Y1150 PolarHBondContact O-N 2.74Å; C1131-C1174 HydrophobicContact CB-CB 3.81Å; C1131-C1174 WeakPolarHBondContact CB-SG 3.27Å; C1131-C1174 PolarHBondContact N-SG 3.27Å; C1131-C1174 WeakPolarHBondContact SG-CA 3.49Å; C1131-C1174 WeakPolarHBondContact SG-CB 3.42Å; C1131-C1174 CovalentContact SG-SG 2.03Å; C1131-C1174 PolarHBondContact SG-SG 2.03Å; C1131-G1178 WeakPolarHBondContact CA-O 3.25Å; C1131-G1178 PolarHBondContact SG-O 3.37Å; C1131-G1178 VanDerWaalsContact SG-O 3.38Å; C1131-R1179 PolarHBondContact SG-O 3.04Å; C1131-W1180 HydrophobicContact CB-CD2 4.01Å; C1131-W1180 VanDerWaalsContact CB-CE2 3.44Å; C1131-W1180 HydrophobicContact CB-CG 4.35Å; C1131-W1180 HydrophobicContact CB-CH2 4.39Å; C1131-W1180 HydrophobicContact CB-CZ2 3.68Å |
| 1132 | S | 87.1 | Confident | 90.1 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 57% | 0.573 | 21% | 0.214 | S | C | * | . | trans | -76.3 | -161.8 | 169.4 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | W1180 | S1132-W1180 PolarHBondContact O-NE1 2.82Š| ||
| 1133 | Q | 90.8 | Very high | 89 | Confident | 81 Ų | 81 | 45.8 Ų | 45.8 | 38% | 0.379 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -53.3 | 134.7 | 177.2 | -68.3 | -61 | -40.1 | 0 | 0 | 112 | R1147 W1180 | Q1133-R1147 PolarHBondContact NE2-O 3.47Å; Q1133-W1180 PolarHBondContact O-NE1 2.76Å |
| 1134 | P | 91.2 | Very high | 87.6 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 5% | 0.045 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -57 | 143.2 | 172 | 24 | -35.9 | 0 | 0 | 0 | 111.3 | T1142 Y1150 V1156 I1172 W1180 | P1134-T1142 HydrophobicContact CB-CG2 4.15Å; P1134-T1142 HydrophobicContact CG-CG2 3.71Å; P1134-Y1150 VanDerWaalsContact CD-CE2 3.47Å; P1134-Y1150 HydrophobicContact CG-CE2 4.42Å; P1134-V1156 HydrophobicContact CB-CB 4.41Å; P1134-V1156 HydrophobicContact CB-CG1 3.99Å; P1134-V1156 HydrophobicContact CB-CG2 4.43Å; P1134-V1156 HydrophobicContact CG-CG1 4.1Å; P1134-V1156 HydrophobicContact CG-CG2 4.44Å; P1134-I1172 HydrophobicContact CB-CD1 4.01Å; P1134-W1180 HydrophobicContact CB-CD2 4.5Å; P1134-W1180 HydrophobicContact CB-CZ2 4.1Å |
| 1135 | P | 93.1 | Very high | 86.3 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 153.4 | -176.5 | -25.3 | 34.6 | 0 | 0 | 0 | 113.2 | Y1158 W1180 P1183 | P1135-Y1158 WeakPolarHBondContact O-CE1 3.45Å; P1135-Y1158 PolarHBondContact O-OH 3.05Å; P1135-W1180 HydrophobicContact CG-CB 4.19Å; P1135-W1180 HydrophobicContact CG-CG 4.42Å; P1135-P1183 HydrophobicContact CB-CG 3.98Å; P1135-P1183 HydrophobicContact CG-CG 4.11Å |
| 1136 | V | 91.6 | Very high | 85.3 | Confident | 138 Ų | 138 | 63.5 Ų | 63.5 | 84% | 0.836 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 131.6 | 171.3 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1137 | V | 91.3 | Very high | 84.6 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | trans | -114 | 134.2 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 107.6 | A1140 Y1158 P1183 I1185 | V1137-A1140 HydrophobicContact CB-CB 3.92Å; V1137-A1140 HydrophobicContact CG1-CB 3.7Å; V1137-A1140 PolarHBondContact O-N 2.9Å; V1137-Y1158 HydrophobicContact CB-CD1 4.01Å; V1137-Y1158 HydrophobicContact CB-CE1 3.9Å; V1137-Y1158 HydrophobicContact CG2-CD1 3.95Å; V1137-Y1158 HydrophobicContact CG2-CE1 3.52Å; V1137-Y1158 HydrophobicContact CG2-CE2 4.21Å; V1137-Y1158 HydrophobicContact CG2-CG 4.47Å; V1137-P1183 HydrophobicContact CG2-CB 3.52Å; V1137-P1183 HydrophobicContact CG2-CG 3.84Å; V1137-I1185 HydrophobicContact CG1-CG2 3.97Å; V1137-I1185 HydrophobicContact CG2-CG2 4.17Å | ||
| 1138 | E | 92.1 | Very high | 83.9 | Confident | 154 Ų | 154 | 76 Ų | 76 | 72% | 0.72 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 146.3 | 179.3 | -165.1 | 171.6 | 177.5 | 0 | 0 | 111.3 | A1140 | E1138-A1140 PolarHBondContact O-N 2.85Š|
| 1139 | N | 91.1 | Very high | 83.6 | Confident | 39 Ų | 39 | 78.7 Ų | 78.7 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 11.8 | -176 | -53.7 | -39.7 | 0 | 0 | 0 | 116.3 | R1161 F1164 C1187 | N1139-R1161 WeakPolarHBondContact O-CB 3.29Å; N1139-R1161 WeakPolarHBondContact O-CG 3.4Å; N1139-R1161 PolarHBondContact O-N 3.23Å; N1139-F1164 HydrophobicContact CB-CB 4.49Å; N1139-F1164 HydrophobicContact CB-CD1 3.76Å; N1139-F1164 HydrophobicContact CB-CD2 3.92Å; N1139-F1164 HydrophobicContact CB-CE1 3.86Å; N1139-F1164 HydrophobicContact CB-CE2 4.01Å; N1139-F1164 HydrophobicContact CB-CG 3.79Å; N1139-F1164 HydrophobicContact CB-CZ 3.98Å; N1139-F1164 VanDerWaalsContact CG-CZ 3.43Å; N1139-F1164 VanDerWaalsContact ND2-CE1 3.26Å; N1139-F1164 WeakPolarHBondContact ND2-CE1 3.37Å; N1139-F1164 WeakPolarHBondContact OD1-CZ 3.46Å; N1139-C1187 HydrophobicContact CB-CB 3.72Å; N1139-C1187 VanDerWaalsContact CB-OXT 3.31Å; N1139-C1187 WeakPolarHBondContact CB-OXT 3.46Å; N1139-C1187 PolarHBondContact ND2-OXT 2.85Å |
| 1140 | A | 90.5 | Very high | 83.5 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 3% | 0.025 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | V1137 E1138 Y1158 Q1159 R1161 | V1137-A1140 HydrophobicContact CB-CB 3.92Å; V1137-A1140 HydrophobicContact CG1-CB 3.7Å; V1137-A1140 PolarHBondContact O-N 2.9Å; E1138-A1140 PolarHBondContact O-N 2.85Å; A1140-Y1158 HydrophobicContact CB-CD1 4.26Å; A1140-Q1159 CarbonylContact C-O 3.52Å; A1140-Q1159 WeakPolarHBondContact CA-O 3.02Å; A1140-R1161 PolarHBondContact O-NE 3.27Å; A1140-R1161 PolarHBondContact O-NH2 2.93Å |
| 1141 | R | 87.5 | Confident | 83.2 | Confident | 143 Ų | 143 | 79.4 Ų | 79.4 | 54% | 0.54 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 152.3 | 164.9 | 63.3 | -179.1 | -177.8 | -175.2 | 1.4 | 109.4 | Y1158 Q1159 | R1141-Y1158 CarbonylContact O-C 3.51Å; R1141-Y1158 VanDerWaalsContact O-CA 3.26Å; R1141-Y1158 WeakPolarHBondContact O-CA 3.45Å; R1141-Q1159 HydrophobicContact CG-CB 4.37Å; R1141-Q1159 PolarHBondContact N-O 2.95Å; R1141-Q1159 PolarHBondContact O-N 3.49Å |
| 1142 | T | 85.4 | Confident | 82.5 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 15% | 0.153 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 139 | 168.5 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | P1134 K1146 V1156 Y1158 | P1134-T1142 HydrophobicContact CB-CG2 4.15Å; P1134-T1142 HydrophobicContact CG-CG2 3.71Å; T1142-K1146 WeakPolarHBondContact OG1-CE 3.5Å; T1142-V1156 HydrophobicContact CG2-CG1 3.79Å; T1142-Y1158 HydrophobicContact CG2-CD1 3.96Å; T1142-Y1158 HydrophobicContact CG2-CE1 3.6Å |
| 1143 | F | 75.7 | Confident | 81.3 | Confident | 133 Ų | 133 | 82.5 Ų | 82.5 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | trans | -84.6 | 149.4 | 175.1 | -168.9 | -94.8 | 0 | 0 | 0 | 110.8 | R1157 | F1143-R1157 HydrophobicContact CB-CB 4.42Å; F1143-R1157 WeakPolarHBondContact CB-O 3.35Å; F1143-R1157 PolarHBondContact N-O 2.76Å | ||
| 1144 | G | 67.8 | Low | 80.5 | Confident | 48 Ų | 48 | 80.2 Ų | 80.2 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 77.9 | -178.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1145 | R | 70.6 | Confident | 79.7 | Confident | 203 Ų | 203 | 84.6 Ų | 84.6 | 77% | 0.766 | 41% | 0.409 | S | S | * | . | trans | -74.8 | 137.6 | 177 | -69.1 | -179.6 | 177.8 | 166.2 | 0.2 | 110.6 | ||||
| 1146 | K | 72.9 | Confident | 79.3 | Confident | 130 Ų | 130 | 82.7 Ų | 82.7 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | trans | -70.4 | 142 | 171 | -70.5 | -171.7 | 169.5 | -158.7 | 0 | 110.6 | T1142 Y1150 | T1142-K1146 WeakPolarHBondContact OG1-CE 3.5Å; K1146-Y1150 WeakPolarHBondContact CA-OH 3.4Å | ||
| 1147 | R | 74.2 | Confident | 78.9 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | trans | -114.5 | 152.6 | 173.7 | -55.8 | -177 | -169.9 | 166.2 | 8.7 | 108.9 | Q1133 R1149 Y1150 | Q1133-R1147 PolarHBondContact NE2-O 3.47Å; R1147-R1149 VanDerWaalsContact C-N 3.32Å; R1147-R1149 WeakPolarHBondContact CB-O 3.32Å; R1147-Y1150 HydrophobicContact CB-CD2 4.38Å; R1147-Y1150 HydrophobicContact CB-CE1 4.31Å; R1147-Y1150 HydrophobicContact CB-CE2 4.01Å; R1147-Y1150 HydrophobicContact CG-CE1 4.36Å; R1147-Y1150 PolarHBondContact N-OH 3.08Å; R1147-Y1150 VanDerWaalsContact N-OH 3.16Å; R1147-Y1150 WeakPolarHBondContact O-CE2 3.05Å | ||
| 1148 | E | 71.9 | Confident | 78.6 | Confident | 187 Ų | 187 | 79.7 Ų | 79.7 | 87% | 0.874 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -70.7 | -33.7 | 176.5 | -62.1 | -174.7 | 159.4 | 0 | 0 | 111.8 | ||
| 1149 | R | 78.6 | Confident | 78.2 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | trans | -128.5 | 142 | 179 | -167 | -177.7 | -156.2 | -111.5 | 4.4 | 109.8 | G1127 T1128 A1130 R1147 E1151 | G1127-R1149 PolarHBondContact O-NH1 3.31Å; G1127-R1149 PolarHBondContact O-NH2 2.69Å; T1128-R1149 PolarHBondContact O-NH2 2.96Å; A1130-R1149 HydrophobicContact CB-CG 3.47Å; A1130-R1149 VanDerWaalsContact CB-CG 3.47Å; R1147-R1149 VanDerWaalsContact C-N 3.32Å; R1147-R1149 WeakPolarHBondContact CB-O 3.32Å; R1149-E1151 WeakPolarHBondContact CD-OE1 3.45Å; R1149-E1151 IonicContact CZ-OE1 3.44Å; R1149-E1151 IonicContact NE-OE1 2.73Å; R1149-E1151 IonicContact NH1-OE1 2.73Å; R1149-E1151 PolarHBondContact NH1-OE1 2.67Å; R1149-E1151 IonicContact NH1-OE2 3.59Å; R1149-E1151 PolarHBondContact NH1-OE2 3.41Å | ||
| 1150 | Y | 80.9 | Confident | 78 | Confident | 11 Ų | 11 | 74.7 Ų | 74.7 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -124.4 | 113.4 | 176.3 | -73.3 | -95.9 | 0 | 0 | 0 | 110 | A1130 C1131 P1134 K1146 R1147 T1154 V1156 C1174 W1180 | A1130-Y1150 WeakPolarHBondContact CB-O 3.29Å; C1131-Y1150 PolarHBondContact N-O 3.11Å; C1131-Y1150 PolarHBondContact O-N 2.74Å; P1134-Y1150 VanDerWaalsContact CD-CE2 3.47Å; P1134-Y1150 HydrophobicContact CG-CE2 4.42Å; K1146-Y1150 WeakPolarHBondContact CA-OH 3.4Å; R1147-Y1150 HydrophobicContact CB-CD2 4.38Å; R1147-Y1150 HydrophobicContact CB-CE1 4.31Å; R1147-Y1150 HydrophobicContact CB-CE2 4.01Å; R1147-Y1150 HydrophobicContact CG-CE1 4.36Å; R1147-Y1150 PolarHBondContact N-OH 3.08Å; R1147-Y1150 VanDerWaalsContact N-OH 3.16Å; R1147-Y1150 WeakPolarHBondContact O-CE2 3.05Å; Y1150-T1154 HydrophobicContact CD1-CG2 3.89Å; Y1150-V1156 HydrophobicContact CD1-CG2 3.91Å; Y1150-V1156 HydrophobicContact CE1-CG2 3.58Å; Y1150-C1174 PolarHBondContact O-SG 3.3Å; Y1150-W1180 AromaticContact CD1-CH2 3.83Å; Y1150-W1180 HydrophobicContact CD1-CH2 3.83Å; Y1150-W1180 HydrophobicContact CD1-CZ2 4.05Å; Y1150-W1180 HydrophobicContact CD2-CH2 4.39Å; Y1150-W1180 AromaticContact CD2-CZ2 3.77Å; Y1150-W1180 HydrophobicContact CD2-CZ2 3.77Å; Y1150-W1180 HydrophobicContact CE2-CZ2 4.43Å; Y1150-W1180 AromaticContact CG-CH2 3.75Å; Y1150-W1180 HydrophobicContact CG-CH2 3.75Å; Y1150-W1180 AromaticContact CG-CZ2 3.55Å; Y1150-W1180 HydrophobicContact CG-CZ2 3.55Å |
| 1151 | E | 77.7 | Confident | 77.8 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 20% | 0.201 | 37% | 0.367 | C | S | . | . | trans | -61.8 | 157.2 | -178.3 | -61.5 | -51.4 | 109 | 0 | 0 | 112.6 | G1127 R1149 T1154 | G1127-E1151 PolarHBondContact N-OE2 2.79Å; R1149-E1151 WeakPolarHBondContact CD-OE1 3.45Å; R1149-E1151 IonicContact CZ-OE1 3.44Å; R1149-E1151 IonicContact NE-OE1 2.73Å; R1149-E1151 IonicContact NH1-OE1 2.73Å; R1149-E1151 PolarHBondContact NH1-OE1 2.67Å; R1149-E1151 IonicContact NH1-OE2 3.59Å; R1149-E1151 PolarHBondContact NH1-OE2 3.41Å; E1151-T1154 PolarHBondContact N-OG1 2.95Å; E1151-T1154 WeakPolarHBondContact O-CB 3.43Å; E1151-T1154 PolarHBondContact O-N 3.32Å; E1151-T1154 PolarHBondContact O-OG1 3.4Å | ||
| 1152 | I | 71.3 | Confident | 77.6 | Confident | 45 Ų | 45 | 81.2 Ų | 81.2 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 141.6 | 179.9 | -53.1 | -63 | 0 | 0 | 0 | 110.8 | V1129 T1154 R1175 | V1129-I1152 HydrophobicContact CG2-CD1 3.91Å; I1152-T1154 PolarHBondContact O-N 2.9Å; I1152-R1175 WeakPolarHBondContact CD1-O 3.43Å |
| 1153 | N | 60.9 | Low | 77.6 | Confident | 102 Ų | 102 | 84 Ų | 84 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -1.2 | -170.7 | -60.6 | -60.3 | 0 | 0 | 0 | 116.9 | L1155 R1173 C1174 | N1153-L1155 PolarHBondContact O-N 2.82Å; N1153-R1173 WeakPolarHBondContact O-CG 3.35Å; N1153-C1174 VanDerWaalsContact CA-O 3.26Å; N1153-C1174 WeakPolarHBondContact CA-O 3.5Å; N1153-C1174 PolarHBondContact N-O 2.79Å |
| 1154 | T | 74.1 | Confident | 78 | Confident | 33 Ų | 33 | 82 Ų | 82 | 20% | 0.202 | 41% | 0.406 | C | S | . | . | trans | -56.7 | 131.6 | 173.5 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | Y1150 E1151 I1152 R1173 C1174 | Y1150-T1154 HydrophobicContact CD1-CG2 3.89Å; E1151-T1154 PolarHBondContact N-OG1 2.95Å; E1151-T1154 WeakPolarHBondContact O-CB 3.43Å; E1151-T1154 PolarHBondContact O-N 3.32Å; E1151-T1154 PolarHBondContact O-OG1 3.4Å; I1152-T1154 PolarHBondContact O-N 2.9Å; T1154-R1173 CarbonylContact O-C 3.09Å; T1154-R1173 WeakPolarHBondContact O-CA 3.19Å; T1154-C1174 PolarHBondContact O-N 3.33Å | ||
| 1155 | L | 75.3 | Confident | 78.5 | Confident | 100 Ų | 100 | 86 Ų | 86 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.8 | 173.5 | -70.9 | 169.1 | 0 | 0 | 0 | 110.1 | N1153 I1172 R1173 | N1153-L1155 PolarHBondContact O-N 2.82Å; L1155-I1172 WeakPolarHBondContact CA-O 3.39Å; L1155-R1173 HydrophobicContact CD2-CB 3.81Å; L1155-R1173 HydrophobicContact CD2-CG 3.97Å |
| 1156 | V | 83.4 | Confident | 79.1 | Confident | 8 Ų | 8 | 80.4 Ų | 80.4 | 5% | 0.048 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.1 | 169.1 | 169.8 | 0 | 0 | 0 | 0 | 108.6 | P1134 T1142 Y1150 T1171 I1172 W1180 | P1134-V1156 HydrophobicContact CB-CB 4.41Å; P1134-V1156 HydrophobicContact CB-CG1 3.99Å; P1134-V1156 HydrophobicContact CB-CG2 4.43Å; P1134-V1156 HydrophobicContact CG-CG1 4.1Å; P1134-V1156 HydrophobicContact CG-CG2 4.44Å; T1142-V1156 HydrophobicContact CG2-CG1 3.79Å; Y1150-V1156 HydrophobicContact CD1-CG2 3.91Å; Y1150-V1156 HydrophobicContact CE1-CG2 3.58Å; V1156-T1171 VanDerWaalsContact O-CA 3.29Å; V1156-T1171 WeakPolarHBondContact O-CA 3.32Å; V1156-I1172 HydrophobicContact CB-CG1 4.09Å; V1156-I1172 PolarHBondContact N-O 3.16Å; V1156-I1172 PolarHBondContact O-N 3.27Å; V1156-W1180 HydrophobicContact CB-CH2 4.21Å; V1156-W1180 HydrophobicContact CB-CZ3 4.17Å; V1156-W1180 HydrophobicContact CG2-CH2 3.42Å; V1156-W1180 VanDerWaalsContact CG2-CH2 3.42Å; V1156-W1180 HydrophobicContact CG2-CZ2 4.23Å; V1156-W1180 HydrophobicContact CG2-CZ3 3.85Å |
| 1157 | R | 82.9 | Confident | 79.1 | Confident | 89 Ų | 89 | 82.1 Ų | 82.1 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140.8 | 173.8 | -175.2 | 168.8 | 173.2 | -174.3 | -6.1 | 110.6 | D77 F1143 P1170 T1171 | D77-R1157 IonicContact OD1-NH2 2.85Å; D77-R1157 IonicContact OD2-CZ 3.58Å; D77-R1157 IonicContact OD2-NH1 2.6Å; D77-R1157 PolarHBondContact OD2-NH1 2.92Å; D77-R1157 IonicContact OD2-NH2 3.75Å; D77-R1157 PolarHBondContact OD2-NH2 3.27Å; F1143-R1157 HydrophobicContact CB-CB 4.42Å; F1143-R1157 WeakPolarHBondContact CB-O 3.35Å; F1143-R1157 PolarHBondContact N-O 2.76Å; R1157-P1170 CarbonylContact C-O 3.52Å; R1157-P1170 WeakPolarHBondContact CA-O 3.41Å; R1157-P1170 HydrophobicContact CG-CB 4.18Å; R1157-P1170 HydrophobicContact CG-CG 4.33Å; R1157-T1171 HydrophobicContact CB-CG2 3.82Å; R1157-T1171 HydrophobicContact CG-CG2 4.09Å |
| 1158 | Y | 85.8 | Confident | 79.5 | Confident | 3 Ų | 3 | 83.6 Ų | 83.6 | 1% | 0.012 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 155.3 | 167.9 | -66.2 | -94.6 | 0 | 0 | 0 | 110.8 | P1135 V1137 A1140 R1141 T1142 P1170 I1172 I1185 | P1135-Y1158 WeakPolarHBondContact O-CE1 3.45Å; P1135-Y1158 PolarHBondContact O-OH 3.05Å; V1137-Y1158 HydrophobicContact CB-CD1 4.01Å; V1137-Y1158 HydrophobicContact CB-CE1 3.9Å; V1137-Y1158 HydrophobicContact CG2-CD1 3.95Å; V1137-Y1158 HydrophobicContact CG2-CE1 3.52Å; V1137-Y1158 HydrophobicContact CG2-CE2 4.21Å; V1137-Y1158 HydrophobicContact CG2-CG 4.47Å; A1140-Y1158 HydrophobicContact CB-CD1 4.26Å; R1141-Y1158 CarbonylContact O-C 3.51Å; R1141-Y1158 VanDerWaalsContact O-CA 3.26Å; R1141-Y1158 WeakPolarHBondContact O-CA 3.45Å; T1142-Y1158 HydrophobicContact CG2-CD1 3.96Å; T1142-Y1158 HydrophobicContact CG2-CE1 3.6Å; Y1158-P1170 PolarHBondContact N-O 2.81Å; Y1158-I1172 HydrophobicContact CE2-CD1 3.74Å; Y1158-I1172 HydrophobicContact CE2-CG1 3.88Å; Y1158-I1172 HydrophobicContact CE2-CG2 4.14Å; Y1158-I1172 WeakPolarHBondContact OH-CD1 3.03Å; Y1158-I1185 HydrophobicContact CD2-CG2 3.99Å; Y1158-I1185 HydrophobicContact CG-CG2 4.16Å |
| 1159 | Q | 84.5 | Confident | 79.5 | Confident | 73 Ų | 73 | 78.9 Ų | 78.9 | 34% | 0.341 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.5 | 171.7 | -171.3 | -173.8 | 34.7 | 0 | 0 | 107.6 | A1140 R1141 | A1140-Q1159 CarbonylContact C-O 3.52Å; A1140-Q1159 WeakPolarHBondContact CA-O 3.02Å; R1141-Q1159 HydrophobicContact CG-CB 4.37Å; R1141-Q1159 PolarHBondContact N-O 2.95Å; R1141-Q1159 PolarHBondContact O-N 3.49Å |
| 1160 | C | 85.3 | Confident | 79.8 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 10% | 0.101 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 151.1 | 171.5 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | F1164 Q1166 C1187 | C1160-F1164 HydrophobicContact CB-CB 4.06Å; C1160-Q1166 WeakPolarHBondContact SG-CA 3.37Å; C1160-C1187 WeakPolarHBondContact CA-SG 3.19Å; C1160-C1187 HydrophobicContact CB-CB 3.73Å; C1160-C1187 WeakPolarHBondContact CB-SG 3.33Å; C1160-C1187 WeakPolarHBondContact SG-CB 3.31Å; C1160-C1187 CovalentContact SG-SG 2.04Å; C1160-C1187 PolarHBondContact SG-SG 3.12Å |
| 1161 | R | 86.2 | Confident | 79.9 | Confident | 128 Ų | 128 | 78.7 Ų | 78.7 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 158.7 | 172.7 | -65.1 | 169.8 | -162.1 | -171.4 | 5.9 | 109.7 | N1139 A1140 G1163 F1164 | N1139-R1161 WeakPolarHBondContact O-CB 3.29Å; N1139-R1161 WeakPolarHBondContact O-CG 3.4Å; N1139-R1161 PolarHBondContact O-N 3.23Å; A1140-R1161 PolarHBondContact O-NE 3.27Å; A1140-R1161 PolarHBondContact O-NH2 2.93Å; R1161-G1163 PolarHBondContact O-N 3.01Å; R1161-F1164 HydrophobicContact CB-CD2 4.23Å; R1161-F1164 PolarHBondContact O-N 2.72Å; R1161-F1164 VanDerWaalsContact O-N 3.11Å |
| 1162 | N | 84.1 | Confident | 80.4 | Confident | 155 Ų | 155 | 76.8 Ų | 76.8 | 83% | 0.829 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 131.4 | 178.8 | -60.1 | 9.1 | 0 | 0 | 0 | 110.4 | ||
| 1163 | G | 85.5 | Confident | 80.9 | Confident | 83 Ų | 83 | 80.3 Ų | 80.3 | 86% | 0.856 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.3 | -15.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1161 | R1161-G1163 PolarHBondContact O-N 3.01Š|
| 1164 | F | 84.5 | Confident | 81.9 | Confident | 92 Ų | 92 | 75.4 Ų | 75.4 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | trans | -108 | 146.6 | -177.6 | -63 | -88.5 | 0 | 0 | 0 | 112.4 | N1139 C1160 R1161 C1187 | N1139-F1164 HydrophobicContact CB-CB 4.49Å; N1139-F1164 HydrophobicContact CB-CD1 3.76Å; N1139-F1164 HydrophobicContact CB-CD2 3.92Å; N1139-F1164 HydrophobicContact CB-CE1 3.86Å; N1139-F1164 HydrophobicContact CB-CE2 4.01Å; N1139-F1164 HydrophobicContact CB-CG 3.79Å; N1139-F1164 HydrophobicContact CB-CZ 3.98Å; N1139-F1164 VanDerWaalsContact CG-CZ 3.43Å; N1139-F1164 VanDerWaalsContact ND2-CE1 3.26Å; N1139-F1164 WeakPolarHBondContact ND2-CE1 3.37Å; N1139-F1164 WeakPolarHBondContact OD1-CZ 3.46Å; C1160-F1164 HydrophobicContact CB-CB 4.06Å; R1161-F1164 HydrophobicContact CB-CD2 4.23Å; R1161-F1164 PolarHBondContact O-N 2.72Å; R1161-F1164 VanDerWaalsContact O-N 3.11Å; F1164-C1187 HydrophobicContact CB-CB 4.1Å; F1164-C1187 WeakPolarHBondContact CD1-O 3.03Å | ||
| 1165 | I | 78.5 | Confident | 82.1 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 67% | 0.672 | 39% | 0.387 | S | S | * | . | trans | -106.4 | 119.9 | -176.2 | -59.8 | 176.7 | 0 | 0 | 0 | 109.4 | R1167 | I1165-R1167 PolarHBondContact O-N 2.81Š| ||
| 1166 | Q | 82.1 | Confident | 81.5 | Confident | 85 Ų | 85 | 75.8 Ų | 75.8 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | trans | -61.6 | 122.7 | 179.9 | -167.4 | -162.4 | -76.2 | 0 | 0 | 112.1 | C1160 P1170 I1185 | C1160-Q1166 WeakPolarHBondContact SG-CA 3.37Å; Q1166-P1170 HydrophobicContact CG-CB 4.45Å; Q1166-I1185 HydrophobicContact CG-CD1 4.03Å; Q1166-I1185 HydrophobicContact CG-CG1 4.32Å | ||
| 1167 | R | 73.7 | Confident | 80.8 | Confident | 167 Ų | 167 | 78.7 Ų | 78.7 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | B | Isolated β-bridge | trans | -116.7 | 149.5 | 170 | -69.2 | 175.3 | -177.7 | -97.3 | 1.4 | 110.3 | I1165 I1185 S1186 | I1165-R1167 PolarHBondContact O-N 2.81Å; R1167-I1185 WeakPolarHBondContact O-CA 3.35Å; R1167-S1186 WeakPolarHBondContact CB-OG 3.23Å; R1167-S1186 PolarHBondContact N-O 2.9Å; R1167-S1186 PolarHBondContact O-N 3.37Å; R1167-S1186 VanDerWaalsContact O-N 3.1Å |
| 1168 | H | 81.6 | Confident | 80.6 | Confident | 134 Ų | 134 | 75.2 Ų | 75.2 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 58.5 | -170 | -173.7 | -47.6 | -69 | 0 | 0 | 0 | 114.5 | K1184 S1186 | H1168-K1184 WeakPolarHBondContact CB-O 2.98Å; H1168-K1184 PolarHBondContact CD2-O 2.89Å; H1168-S1186 PolarHBondContact CD2-OG 3.41Å |
| 1169 | V | 73.6 | Confident | 80.6 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | trans | -76.2 | 124.3 | -174.3 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | T1171 | V1169-T1171 VanDerWaalsContact C-N 3.26Å; V1169-T1171 WeakPolarHBondContact CG1-OG1 3.24Å; V1169-T1171 PolarHBondContact O-N 3.33Å | ||
| 1170 | P | 84.6 | Confident | 80.8 | Confident | 22 Ų | 22 | 81 Ų | 81 | 14% | 0.143 | 41% | 0.407 | C | S | . | . | trans | -81.1 | 2.9 | -175 | 33.5 | -36.6 | 0 | 0 | 0 | 114.5 | R1157 Y1158 Q1166 I1185 | R1157-P1170 CarbonylContact C-O 3.52Å; R1157-P1170 WeakPolarHBondContact CA-O 3.41Å; R1157-P1170 HydrophobicContact CG-CB 4.18Å; R1157-P1170 HydrophobicContact CG-CG 4.33Å; Y1158-P1170 PolarHBondContact N-O 2.81Å; Q1166-P1170 HydrophobicContact CG-CB 4.45Å; P1170-I1185 HydrophobicContact CB-CD1 4.12Å | ||
| 1171 | T | 82.4 | Confident | 81 | Confident | 57 Ų | 57 | 83.2 Ų | 83.2 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.5 | -174.7 | 44.1 | 0 | 0 | 0 | 0 | 113 | V1156 R1157 V1169 | V1156-T1171 VanDerWaalsContact O-CA 3.29Å; V1156-T1171 WeakPolarHBondContact O-CA 3.32Å; R1157-T1171 HydrophobicContact CB-CG2 3.82Å; R1157-T1171 HydrophobicContact CG-CG2 4.09Å; V1169-T1171 VanDerWaalsContact C-N 3.26Å; V1169-T1171 WeakPolarHBondContact CG1-OG1 3.24Å; V1169-T1171 PolarHBondContact O-N 3.33Å |
| 1172 | I | 87.8 | Confident | 81.2 | Confident | 3 Ų | 3 | 82.7 Ų | 82.7 | 2% | 0.015 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.1 | 167.4 | 59.9 | 173.2 | 0 | 0 | 0 | 109.6 | P1134 L1155 V1156 Y1158 W1180 D1181 P1183 | P1134-I1172 HydrophobicContact CB-CD1 4.01Å; L1155-I1172 WeakPolarHBondContact CA-O 3.39Å; V1156-I1172 HydrophobicContact CB-CG1 4.09Å; V1156-I1172 PolarHBondContact N-O 3.16Å; V1156-I1172 PolarHBondContact O-N 3.27Å; Y1158-I1172 HydrophobicContact CE2-CD1 3.74Å; Y1158-I1172 HydrophobicContact CE2-CG1 3.88Å; Y1158-I1172 HydrophobicContact CE2-CG2 4.14Å; Y1158-I1172 WeakPolarHBondContact OH-CD1 3.03Å; I1172-W1180 HydrophobicContact CB-CE3 4.42Å; I1172-W1180 HydrophobicContact CD1-CB 4.25Å; I1172-W1180 HydrophobicContact CD1-CD2 3.82Å; I1172-W1180 HydrophobicContact CD1-CE3 3.52Å; I1172-W1180 HydrophobicContact CD1-CG 4.15Å; I1172-W1180 HydrophobicContact CD1-CZ3 4.19Å; I1172-W1180 HydrophobicContact CG1-CE3 3.72Å; I1172-W1180 HydrophobicContact CG1-CZ3 4.09Å; I1172-D1181 HydrophobicContact CB-CB 4.21Å; I1172-D1181 HydrophobicContact CG2-CB 4.48Å; I1172-P1183 HydrophobicContact CG2-CB 4.07Å; I1172-P1183 HydrophobicContact CG2-CG 4.12Å |
| 1173 | R | 82.2 | Confident | 81.5 | Confident | 118 Ų | 118 | 77 Ų | 77 | 45% | 0.445 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146.4 | 173.7 | -161.7 | 179.2 | -71.3 | 161.4 | 0.8 | 111.2 | N1153 T1154 L1155 D1181 | N1153-R1173 WeakPolarHBondContact O-CG 3.35Å; T1154-R1173 CarbonylContact O-C 3.09Å; T1154-R1173 WeakPolarHBondContact O-CA 3.19Å; L1155-R1173 HydrophobicContact CD2-CB 3.81Å; L1155-R1173 HydrophobicContact CD2-CG 3.97Å; R1173-D1181 WeakPolarHBondContact CB-OD2 3.47Å; R1173-D1181 PolarHBondContact N-OD2 3.19Å; R1173-D1181 VanDerWaalsContact N-OD2 3.13Å; R1173-D1181 PolarHBondContact O-N 2.97Å |
| 1174 | C | 81.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 118.8 | 161.3 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | C1131 Y1150 N1153 T1154 W1180 | C1131-C1174 HydrophobicContact CB-CB 3.81Å; C1131-C1174 WeakPolarHBondContact CB-SG 3.27Å; C1131-C1174 PolarHBondContact N-SG 3.27Å; C1131-C1174 WeakPolarHBondContact SG-CA 3.49Å; C1131-C1174 WeakPolarHBondContact SG-CB 3.42Å; C1131-C1174 CovalentContact SG-SG 2.03Å; C1131-C1174 PolarHBondContact SG-SG 2.03Å; Y1150-C1174 PolarHBondContact O-SG 3.3Å; N1153-C1174 VanDerWaalsContact CA-O 3.26Å; N1153-C1174 WeakPolarHBondContact CA-O 3.5Å; N1153-C1174 PolarHBondContact N-O 2.79Å; T1154-C1174 PolarHBondContact O-N 3.33Å; C1174-W1180 HydrophobicContact CB-CE3 4.18Å; C1174-W1180 HydrophobicContact CB-CH2 4.09Å; C1174-W1180 HydrophobicContact CB-CZ3 3.85Å |
| 1175 | R | 77.9 | Confident | 81.7 | Confident | 101 Ų | 101 | 77 Ų | 77 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | trans | -85.5 | 165.4 | -176.2 | -53.3 | -173 | -40.3 | -172.8 | 5.5 | 111.8 | I1152 D1177 G1178 R1179 D1181 | I1152-R1175 WeakPolarHBondContact CD1-O 3.43Å; R1175-D1177 VanDerWaalsContact CB-OD1 3.24Å; R1175-D1177 WeakPolarHBondContact CB-OD1 3.35Å; R1175-D1177 IonicContact CZ-OD1 2.79Å; R1175-D1177 IonicContact CZ-OD2 3.16Å; R1175-D1177 IonicContact NE-OD1 3.95Å; R1175-D1177 PolarHBondContact NE-OD1 3.31Å; R1175-D1177 IonicContact NE-OD2 2.65Å; R1175-D1177 VanDerWaalsContact NH2-CG 3.28Å; R1175-D1177 IonicContact NH2-OD1 3.17Å; R1175-D1177 PolarHBondContact NH2-OD1 3.16Å; R1175-D1177 VanDerWaalsContact NH2-OD1 3.13Å; R1175-D1177 IonicContact NH2-OD2 3.64Å; R1175-D1177 PolarHBondContact NH2-OD2 3.41Å; R1175-D1177 PolarHBondContact O-N 2.71Å; R1175-G1178 PolarHBondContact O-N 2.94Å; R1175-R1179 VanDerWaalsContact CB-O 3.26Å; R1175-R1179 WeakPolarHBondContact CB-O 3.41Å; R1175-R1179 VanDerWaalsContact CG-O 3.3Å; R1175-R1179 WeakPolarHBondContact CG-O 3.2Å; R1175-R1179 PolarHBondContact N-O 3.23Å; R1175-D1181 VanDerWaalsContact CD-OD1 3.29Å; R1175-D1181 WeakPolarHBondContact CD-OD1 3.48Å; R1175-D1181 WeakPolarHBondContact CG-OD1 3.03Å | ||
| 1176 | G | 63 | Low | 82.1 | Confident | 40 Ų | 40 | 73 Ų | 73 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -16 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1177 | D | 68.7 | Low | 82.3 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 13.5 | 175.3 | 70.8 | -40.8 | 0 | 0 | 0 | 113.7 | R1175 R1179 | R1175-D1177 VanDerWaalsContact CB-OD1 3.24Å; R1175-D1177 WeakPolarHBondContact CB-OD1 3.35Å; R1175-D1177 IonicContact CZ-OD1 2.79Å; R1175-D1177 IonicContact CZ-OD2 3.16Å; R1175-D1177 IonicContact NE-OD1 3.95Å; R1175-D1177 PolarHBondContact NE-OD1 3.31Å; R1175-D1177 IonicContact NE-OD2 2.65Å; R1175-D1177 VanDerWaalsContact NH2-CG 3.28Å; R1175-D1177 IonicContact NH2-OD1 3.17Å; R1175-D1177 PolarHBondContact NH2-OD1 3.16Å; R1175-D1177 VanDerWaalsContact NH2-OD1 3.13Å; R1175-D1177 IonicContact NH2-OD2 3.64Å; R1175-D1177 PolarHBondContact NH2-OD2 3.41Å; R1175-D1177 PolarHBondContact O-N 2.71Å; D1177-R1179 PolarHBondContact O-N 3.02Å; D1177-R1179 WeakPolarHBondContact OD2-CD 2.89Å; D1177-R1179 VanDerWaalsContact OD2-CG 3.31Å; D1177-R1179 WeakPolarHBondContact OD2-CG 3.18Å; D1177-R1179 IonicContact OD2-NE 2.73Å |
| 1178 | G | 79.2 | Confident | 82.7 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 70.3 | 13 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1131 R1175 | C1131-G1178 WeakPolarHBondContact CA-O 3.25Å; C1131-G1178 PolarHBondContact SG-O 3.37Å; C1131-G1178 VanDerWaalsContact SG-O 3.38Å; R1175-G1178 PolarHBondContact O-N 2.94Å |
| 1179 | R | 85.8 | Confident | 82.8 | Confident | 169 Ų | 169 | 62.5 Ų | 62.5 | 64% | 0.638 | 33% | 0.327 | S | S | * | . | trans | -107.8 | 149 | 178.1 | -55.9 | -171.8 | -169 | -176.8 | 1.6 | 111.1 | C1131 R1175 D1177 | C1131-R1179 PolarHBondContact SG-O 3.04Å; R1175-R1179 VanDerWaalsContact CB-O 3.26Å; R1175-R1179 WeakPolarHBondContact CB-O 3.41Å; R1175-R1179 VanDerWaalsContact CG-O 3.3Å; R1175-R1179 WeakPolarHBondContact CG-O 3.2Å; R1175-R1179 PolarHBondContact N-O 3.23Å; D1177-R1179 PolarHBondContact O-N 3.02Å; D1177-R1179 WeakPolarHBondContact OD2-CD 2.89Å; D1177-R1179 VanDerWaalsContact OD2-CG 3.31Å; D1177-R1179 WeakPolarHBondContact OD2-CG 3.18Å; D1177-R1179 IonicContact OD2-NE 2.73Å | ||
| 1180 | W | 89.6 | Confident | 83.3 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 11% | 0.106 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 146.8 | 172.3 | -70.8 | 106.1 | 0 | 0 | 0 | 111.7 | C1131 S1132 Q1133 P1134 P1135 Y1150 V1156 I1172 C1174 | C1131-W1180 HydrophobicContact CB-CD2 4.01Å; C1131-W1180 VanDerWaalsContact CB-CE2 3.44Å; C1131-W1180 HydrophobicContact CB-CG 4.35Å; C1131-W1180 HydrophobicContact CB-CH2 4.39Å; C1131-W1180 HydrophobicContact CB-CZ2 3.68Å; S1132-W1180 PolarHBondContact O-NE1 2.82Å; Q1133-W1180 PolarHBondContact O-NE1 2.76Å; P1134-W1180 HydrophobicContact CB-CD2 4.5Å; P1134-W1180 HydrophobicContact CB-CZ2 4.1Å; P1135-W1180 HydrophobicContact CG-CB 4.19Å; P1135-W1180 HydrophobicContact CG-CG 4.42Å; Y1150-W1180 AromaticContact CD1-CH2 3.83Å; Y1150-W1180 HydrophobicContact CD1-CH2 3.83Å; Y1150-W1180 HydrophobicContact CD1-CZ2 4.05Å; Y1150-W1180 HydrophobicContact CD2-CH2 4.39Å; Y1150-W1180 AromaticContact CD2-CZ2 3.77Å; Y1150-W1180 HydrophobicContact CD2-CZ2 3.77Å; Y1150-W1180 HydrophobicContact CE2-CZ2 4.43Å; Y1150-W1180 AromaticContact CG-CH2 3.75Å; Y1150-W1180 HydrophobicContact CG-CH2 3.75Å; Y1150-W1180 AromaticContact CG-CZ2 3.55Å; Y1150-W1180 HydrophobicContact CG-CZ2 3.55Å; V1156-W1180 HydrophobicContact CB-CH2 4.21Å; V1156-W1180 HydrophobicContact CB-CZ3 4.17Å; V1156-W1180 HydrophobicContact CG2-CH2 3.42Å; V1156-W1180 VanDerWaalsContact CG2-CH2 3.42Å; V1156-W1180 HydrophobicContact CG2-CZ2 4.23Å; V1156-W1180 HydrophobicContact CG2-CZ3 3.85Å; I1172-W1180 HydrophobicContact CB-CE3 4.42Å; I1172-W1180 HydrophobicContact CD1-CB 4.25Å; I1172-W1180 HydrophobicContact CD1-CD2 3.82Å; I1172-W1180 HydrophobicContact CD1-CE3 3.52Å; I1172-W1180 HydrophobicContact CD1-CG 4.15Å; I1172-W1180 HydrophobicContact CD1-CZ3 4.19Å; I1172-W1180 HydrophobicContact CG1-CE3 3.72Å; I1172-W1180 HydrophobicContact CG1-CZ3 4.09Å; C1174-W1180 HydrophobicContact CB-CE3 4.18Å; C1174-W1180 HydrophobicContact CB-CH2 4.09Å; C1174-W1180 HydrophobicContact CB-CZ3 3.85Å |
| 1181 | D | 89.4 | Confident | 83.2 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 140.7 | 157.1 | -73.3 | -32.3 | 0 | 0 | 0 | 110.4 | I1172 R1173 R1175 P1183 | I1172-D1181 HydrophobicContact CB-CB 4.21Å; I1172-D1181 HydrophobicContact CG2-CB 4.48Å; R1173-D1181 WeakPolarHBondContact CB-OD2 3.47Å; R1173-D1181 PolarHBondContact N-OD2 3.19Å; R1173-D1181 VanDerWaalsContact N-OD2 3.13Å; R1173-D1181 PolarHBondContact O-N 2.97Å; R1175-D1181 VanDerWaalsContact CD-OD1 3.29Å; R1175-D1181 WeakPolarHBondContact CD-OD1 3.48Å; R1175-D1181 WeakPolarHBondContact CG-OD1 3.03Å; D1181-P1183 WeakPolarHBondContact O-CD 3.41Å |
| 1182 | T | 89.6 | Confident | 83.3 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 71% | 0.712 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 122.8 | 172.2 | -48.5 | 0 | 0 | 0 | 0 | 109.8 | K1184 | T1182-K1184 PolarHBondContact O-N 2.83Š|
| 1183 | P | 90.4 | Very high | 83 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 127.9 | 177.7 | -22.3 | 31.7 | 0 | 0 | 0 | 111.6 | P1135 V1137 I1172 D1181 I1185 | P1135-P1183 HydrophobicContact CB-CG 3.98Å; P1135-P1183 HydrophobicContact CG-CG 4.11Å; V1137-P1183 HydrophobicContact CG2-CB 3.52Å; V1137-P1183 HydrophobicContact CG2-CG 3.84Å; I1172-P1183 HydrophobicContact CG2-CB 4.07Å; I1172-P1183 HydrophobicContact CG2-CG 4.12Å; D1181-P1183 WeakPolarHBondContact O-CD 3.41Å; P1183-I1185 HydrophobicContact CB-CG2 4.29Å |
| 1184 | K | 87 | Confident | 83 | Confident | 160 Ų | 160 | 64.2 Ų | 64.2 | 70% | 0.696 | 34% | 0.337 | S | S | * | . | trans | -102.5 | -10.4 | 177.2 | -64.5 | -174.4 | -179.9 | 179.3 | 0 | 113.5 | H1168 T1182 | H1168-K1184 WeakPolarHBondContact CB-O 2.98Å; H1168-K1184 PolarHBondContact CD2-O 2.89Å; T1182-K1184 PolarHBondContact O-N 2.83Å | ||
| 1185 | I | 87.1 | Confident | 83.2 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | trans | -63.2 | 139 | 175.4 | 174.8 | 173.5 | 0 | 0 | 0 | 110.8 | V1137 Y1158 Q1166 R1167 P1170 P1183 | V1137-I1185 HydrophobicContact CG1-CG2 3.97Å; V1137-I1185 HydrophobicContact CG2-CG2 4.17Å; Y1158-I1185 HydrophobicContact CD2-CG2 3.99Å; Y1158-I1185 HydrophobicContact CG-CG2 4.16Å; Q1166-I1185 HydrophobicContact CG-CD1 4.03Å; Q1166-I1185 HydrophobicContact CG-CG1 4.32Å; R1167-I1185 WeakPolarHBondContact O-CA 3.35Å; P1170-I1185 HydrophobicContact CB-CD1 4.12Å; P1183-I1185 HydrophobicContact CB-CG2 4.29Å | ||
| 1186 | S | 87.3 | Confident | 83.6 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -123.6 | 148.8 | 162 | 47.6 | 0 | 0 | 0 | 0 | 110.8 | R1167 H1168 | R1167-S1186 WeakPolarHBondContact CB-OG 3.23Å; R1167-S1186 PolarHBondContact N-O 2.9Å; R1167-S1186 PolarHBondContact O-N 3.37Å; R1167-S1186 VanDerWaalsContact O-N 3.1Å; H1168-S1186 PolarHBondContact CD2-OG 3.41Å |
| 1187 | C | 86.3 | Confident | 85.5 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | trans | -135.4 | 0 | -178.8 | -66.8 | 0 | 0 | 0 | 0 | 108.4 | N1139 C1160 F1164 | N1139-C1187 HydrophobicContact CB-CB 3.72Å; N1139-C1187 VanDerWaalsContact CB-OXT 3.31Å; N1139-C1187 WeakPolarHBondContact CB-OXT 3.46Å; N1139-C1187 PolarHBondContact ND2-OXT 2.85Å; C1160-C1187 WeakPolarHBondContact CA-SG 3.19Å; C1160-C1187 HydrophobicContact CB-CB 3.73Å; C1160-C1187 WeakPolarHBondContact CB-SG 3.33Å; C1160-C1187 WeakPolarHBondContact SG-CB 3.31Å; C1160-C1187 CovalentContact SG-SG 2.04Å; C1160-C1187 PolarHBondContact SG-SG 3.12Å; F1164-C1187 HydrophobicContact CB-CB 4.1Å; F1164-C1187 WeakPolarHBondContact CD1-O 3.03Å |
Retrieved 1,187 of 1,187 residues in 385.4 ms
(Link to these results)