| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 82.1 | Confident | 94.8 | Very high | 232 Ų | 232 | 90.8 Ų | 90.8 | 100% | 1.143 | 40% | 0.404 | S | S | * | . | 0 | 155.5 | 0 | -71.5 | -179.2 | -160.6 | 0 | 0 | 107.9 | |||||
| 2 | R | 93.9 | Very high | 94.9 | Very high | 134 Ų | 134 | 88.8 Ų | 88.8 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | trans | -74 | 139.9 | 170.6 | -78.2 | -177.8 | 172.1 | -142.7 | -11.8 | 109.1 | I32 E50 | R2-I32 HydrophobicContact CB-CD1 3.68Å; R2-I32 WeakPolarHBondContact O-CD1 3.32Å; R2-I32 WeakPolarHBondContact O-CG1 3.47Å; R2-E50 IonicContact CZ-OE1 2.82Å; R2-E50 IonicContact CZ-OE2 3.99Å; R2-E50 IonicContact NH1-OE1 2.77Å; R2-E50 PolarHBondContact NH1-OE1 2.8Å; R2-E50 IonicContact NH1-OE2 2.91Å; R2-E50 PolarHBondContact NH1-OE2 3.41Å; R2-E50 IonicContact NH2-OE1 3.44Å; R2-E50 IonicContact NH2-OE2 3.37Å; R2-E50 PolarHBondContact NH2-OE2 2.74Å | ||
| 3 | K | 96.1 | Very high | 95 | Very high | 10 Ų | 10 | 85.6 Ų | 85.6 | 4% | 0.043 | 40% | 0.4 | C | S | . | . | trans | -88.5 | -34.7 | 178.6 | 179.7 | 175.2 | 61.5 | 176.6 | 0 | 112.1 | I32 F35 A54 Q55 E56 G57 C59 | K3-I32 WeakPolarHBondContact O-CG1 3.4Å; K3-I32 PolarHBondContact O-N 2.97Å; K3-F35 HydrophobicContact CD-CD1 3.78Å; K3-F35 HydrophobicContact CD-CD2 3.75Å; K3-F35 HydrophobicContact CD-CE1 3.75Å; K3-F35 HydrophobicContact CD-CE2 3.71Å; K3-F35 HydrophobicContact CD-CG 3.78Å; K3-F35 HydrophobicContact CD-CZ 3.71Å; K3-F35 HydrophobicContact CG-CD1 3.42Å; K3-F35 VanDerWaalsContact CG-CD1 3.42Å; K3-F35 HydrophobicContact CG-CD2 4.34Å; K3-F35 HydrophobicContact CG-CE1 3.31Å; K3-F35 HydrophobicContact CG-CE2 4.25Å; K3-F35 HydrophobicContact CG-CG 3.95Å; K3-F35 HydrophobicContact CG-CZ 3.76Å; K3-A54 WeakPolarHBondContact CE-O 3.43Å; K3-A54 PolarHBondContact NZ-O 2.96Å; K3-Q55 WeakPolarHBondContact CB-O 3.28Å; K3-E56 PolarHBondContact NZ-O 3.28Å; K3-G57 PolarHBondContact NZ-O 2.9Å; K3-C59 PolarHBondContact NZ-O 2.92Å; K3-C59 PolarHBondContact NZ-SG 3.34Å | ||
| 4 | Y | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 165.5 | -180 | 78.2 | -83.7 | 0 | 0 | 0 | 112.7 | L6 I29 I30 I47 E50 L53 Q55 W60 | Y4-L6 HydrophobicContact CE2-CD2 4.13Å; Y4-I29 HydrophobicContact CD2-CB 3.87Å; Y4-I29 HydrophobicContact CD2-CG2 3.82Å; Y4-I29 HydrophobicContact CE2-CB 4.34Å; Y4-I29 HydrophobicContact CE2-CG2 3.76Å; Y4-I30 VanDerWaalsContact CA-O 3.26Å; Y4-I30 WeakPolarHBondContact CA-O 3.32Å; Y4-I30 WeakPolarHBondContact CB-O 3.37Å; Y4-I47 HydrophobicContact CE2-CD1 3.93Å; Y4-E50 PolarHBondContact OH-O 2.94Å; Y4-L53 HydrophobicContact CD1-CD2 4.01Å; Y4-L53 HydrophobicContact CE1-CB 3.96Å; Y4-L53 HydrophobicContact CE1-CD2 3.86Å; Y4-L53 HydrophobicContact CE1-CG 3.97Å; Y4-L53 WeakPolarHBondContact CE1-O 3.34Å; Y4-L53 HydrophobicContact CG-CD2 4.45Å; Y4-L53 PolarHBondContact OH-O 2.89Å; Y4-Q55 HydrophobicContact CE1-CG 4.3Å; Y4-Q55 PolarHBondContact O-NE2 3.49Å; Y4-Q55 VanDerWaalsContact O-NE2 3.13Å; Y4-W60 HydrophobicContact CD1-CZ3 4.31Å; Y4-W60 HydrophobicContact CG-CH2 4.48Å; Y4-W60 AromaticContact CG-CZ3 3.95Å; Y4-W60 HydrophobicContact CG-CZ3 3.95Å |
| 5 | R | 97.7 | Very high | 94.7 | Very high | 112 Ų | 112 | 81.7 Ų | 81.7 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 165.4 | 170 | 69 | 177.8 | 179.9 | 80.1 | 1 | 110.6 | I30 I32 | R5-I30 HydrophobicContact CG-CB 4.31Å; R5-I30 PolarHBondContact N-O 3.01Å; R5-I30 PolarHBondContact O-N 3.11Å; R5-I32 HydrophobicContact CB-CG2 4.06Å; R5-I32 HydrophobicContact CG-CG2 3.65Å |
| 6 | L | 98.2 | Very high | 94.3 | Very high | 15 Ų | 15 | 84.5 Ų | 84.5 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 144.2 | 169 | -60.7 | -178.3 | 0 | 0 | 0 | 111.1 | Y4 R27 Q28 I29 I47 E50 | Y4-L6 HydrophobicContact CE2-CD2 4.13Å; L6-R27 HydrophobicContact CB-CB 3.98Å; L6-R27 HydrophobicContact CD1-CB 4.3Å; L6-R27 HydrophobicContact CD2-CB 4.29Å; L6-R27 HydrophobicContact CG-CB 4.42Å; L6-Q28 CarbonylContact C-O 3.53Å; L6-Q28 WeakPolarHBondContact CA-O 3.48Å; L6-I29 HydrophobicContact CD2-CG2 4.11Å; L6-I47 HydrophobicContact CD2-CD1 3.78Å; L6-I47 HydrophobicContact CD2-CG1 3.62Å; L6-E50 HydrophobicContact CD1-CG 3.86Å; L6-E50 HydrophobicContact CG-CG 4.21Å |
| 7 | S | 97.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 82.4 Ų | 82.4 | 6% | 0.056 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 156.6 | 172.3 | 71.1 | 0 | 0 | 0 | 0 | 111.2 | E9 R27 Q28 | S7-E9 PolarHBondContact OG-O 3.13Å; S7-R27 PolarHBondContact O-NE 2.93Å; S7-R27 PolarHBondContact O-NH2 2.83Å; S7-Q28 PolarHBondContact N-O 2.73Å; S7-Q28 WeakPolarHBondContact OG-CB 3.33Å; S7-Q28 PolarHBondContact OG-N 2.64Å; S7-Q28 VanDerWaalsContact OG-N 3.11Å |
| 8 | E | 96 | Very high | 93.3 | Very high | 156 Ų | 156 | 85.1 Ų | 85.1 | 73% | 0.729 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -20.6 | 172.3 | -64.6 | -53.5 | 127.4 | 0 | 0 | 112.5 | R27 | E8-R27 IonicContact OE1-NH2 3.83Å; E8-R27 PolarHBondContact OE1-NH2 2.69Å; E8-R27 VanDerWaalsContact OE1-NH2 3.11Å; E8-R27 IonicContact OE2-NH2 3.49Å |
| 9 | E | 93.1 | Very high | 92.9 | Very high | 123 Ų | 123 | 88.1 Ų | 88.1 | 58% | 0.575 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 136.4 | 174.8 | -172.6 | 178.4 | 170.7 | 0 | 0 | 110.7 | S7 W46 | S7-E9 PolarHBondContact OG-O 3.13Å; E9-W46 HydrophobicContact CG-CH2 4.02Å; E9-W46 HydrophobicContact CG-CZ3 4.47Å |
| 10 | Q | 95.3 | Very high | 92.7 | Very high | 113 Ų | 113 | 87.3 Ų | 87.3 | 53% | 0.528 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.8 | 177.4 | -63.4 | 179.4 | -0.2 | 0 | 0 | 109.9 | L25 L26 R27 | Q10-L25 HydrophobicContact CB-CD1 3.81Å; Q10-L25 HydrophobicContact CB-CD2 4.47Å; Q10-L25 HydrophobicContact CB-CG 4.15Å; Q10-L25 HydrophobicContact CG-CD2 4.29Å; Q10-L25 HydrophobicContact CG-CG 4.41Å; Q10-L26 VanDerWaalsContact CA-O 3.32Å; Q10-L26 WeakPolarHBondContact CA-O 3.26Å; Q10-R27 HydrophobicContact CG-CG 4.09Å |
| 11 | R | 94.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 91.2 Ų | 91.2 | 36% | 0.362 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.5 | 174.9 | 179.8 | 177.9 | 174.4 | -174.8 | -1.5 | 109.1 | L26 W46 | R11-L26 PolarHBondContact N-O 3.11Å; R11-L26 PolarHBondContact O-N 2.93Å; R11-W46 HydrophobicContact CB-CE3 3.87Å; R11-W46 HydrophobicContact CB-CH2 4.14Å; R11-W46 HydrophobicContact CB-CZ3 3.66Å |
| 12 | A | 96 | Very high | 93.2 | Very high | 67 Ų | 67 | 83.9 Ų | 83.9 | 55% | 0.554 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 132.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V24 | A12-V24 WeakPolarHBondContact CA-O 3.35Å |
| 13 | F | 95.8 | Very high | 93.3 | Very high | 47 Ų | 47 | 81.3 Ų | 81.3 | 21% | 0.206 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.5 | 174.1 | 178.9 | -107.6 | 0 | 0 | 0 | 109.2 | Y15 S23 V24 L26 I67 F69 | F13-Y15 HydrophobicContact CD1-CD1 4.41Å; F13-S23 CarbonylContact O-C 3.57Å; F13-S23 WeakPolarHBondContact O-CA 3.13Å; F13-V24 HydrophobicContact CB-CG1 3.99Å; F13-V24 HydrophobicContact CD1-CG1 4.06Å; F13-V24 PolarHBondContact N-O 2.89Å; F13-V24 PolarHBondContact O-N 3.5Å; F13-L26 HydrophobicContact CB-CD1 3.63Å; F13-L26 HydrophobicContact CB-CG 4.28Å; F13-L26 HydrophobicContact CG-CD1 4.26Å; F13-I67 HydrophobicContact CD1-CG2 4.47Å; F13-I67 HydrophobicContact CD2-CD1 3.63Å; F13-I67 HydrophobicContact CE2-CD1 3.7Å; F13-I67 HydrophobicContact CG-CD1 4.11Å; F13-I67 HydrophobicContact CZ-CD1 4.23Å; F13-F69 AromaticContact CD1-CE1 3.99Å; F13-F69 HydrophobicContact CD1-CE1 3.99Å; F13-F69 HydrophobicContact CD1-CZ 4.08Å; F13-F69 AromaticContact CE1-CE1 3.82Å; F13-F69 HydrophobicContact CE1-CE1 3.82Å; F13-F69 AromaticContact CE1-CZ 3.9Å; F13-F69 HydrophobicContact CE1-CZ 3.9Å |
| 14 | S | 94.4 | Very high | 93.3 | Very high | 65 Ų | 65 | 81.9 Ų | 81.9 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.3 | 176 | -65.1 | 0 | 0 | 0 | 0 | 110 | K22 | S14-K22 WeakPolarHBondContact CA-O 3.32Å |
| 15 | Y | 92 | Very high | 93.3 | Very high | 47 Ų | 47 | 86.1 Ų | 86.1 | 18% | 0.184 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 166.7 | 177.2 | 67.3 | -76.3 | 0 | 0 | 0 | 110 | F13 E17 K22 V24 F69 W87 | F13-Y15 HydrophobicContact CD1-CD1 4.41Å; Y15-E17 HydrophobicContact CD2-CB 4.39Å; Y15-E17 HydrophobicContact CE2-CB 4.1Å; Y15-K22 HydrophobicContact CD1-CB 4.12Å; Y15-K22 HydrophobicContact CD2-CB 4.45Å; Y15-K22 HydrophobicContact CE1-CB 3.55Å; Y15-K22 HydrophobicContact CE2-CB 3.93Å; Y15-K22 HydrophobicContact CE2-CD 4.11Å; Y15-K22 VanDerWaalsContact CZ-CB 3.44Å; Y15-K22 PolarHBondContact N-O 3.48Å; Y15-K22 PolarHBondContact O-N 2.92Å; Y15-V24 HydrophobicContact CD1-CG1 4.33Å; Y15-V24 HydrophobicContact CE1-CB 4.19Å; Y15-V24 HydrophobicContact CE1-CG1 4.18Å; Y15-F69 AromaticContact CD1-CE2 3.83Å; Y15-F69 HydrophobicContact CD1-CE2 3.83Å; Y15-F69 HydrophobicContact CD1-CZ 4Å; Y15-F69 HydrophobicContact CD2-CE2 4.21Å; Y15-F69 HydrophobicContact CD2-CZ 4.29Å; Y15-F69 AromaticContact CE1-CE2 3.66Å; Y15-F69 HydrophobicContact CE1-CE2 3.66Å; Y15-F69 HydrophobicContact CE1-CZ 4.32Å; Y15-F69 HydrophobicContact CE2-CE2 4.06Å; Y15-F69 HydrophobicContact CG-CE2 4.11Å; Y15-F69 AromaticContact CG-CZ 4Å; Y15-F69 HydrophobicContact CG-CZ 4Å; Y15-F69 AromaticContact CZ-CE2 3.78Å; Y15-W87 HydrophobicContact CD2-CE3 4.4Å; Y15-W87 HydrophobicContact CD2-CH2 4.48Å; Y15-W87 HydrophobicContact CD2-CZ3 4.33Å; Y15-W87 HydrophobicContact CE2-CE3 4.17Å; Y15-W87 HydrophobicContact CE2-CZ3 4.08Å |
| 16 | Q | 88.4 | Confident | 93.3 | Very high | 127 Ų | 127 | 80.8 Ų | 80.8 | 59% | 0.593 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.2 | 178.1 | -175.9 | 169.9 | -20.9 | 0 | 0 | 109 | D19 | Q16-D19 PolarHBondContact NE2-OD1 3.09Å |
| 17 | E | 86.1 | Confident | 93.3 | Very high | 48 Ų | 48 | 83.2 Ų | 83.2 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 122.8 | 174.9 | -177 | 178.6 | -166.6 | 0 | 0 | 107.1 | Y15 D19 T20 K22 W87 | Y15-E17 HydrophobicContact CD2-CB 4.39Å; Y15-E17 HydrophobicContact CE2-CB 4.1Å; E17-D19 VanDerWaalsContact C-N 3.31Å; E17-D19 PolarHBondContact O-N 2.95Å; E17-T20 PolarHBondContact N-O 2.82Å; E17-T20 WeakPolarHBondContact O-CA 3.32Å; E17-T20 WeakPolarHBondContact O-CB 3.46Å; E17-T20 PolarHBondContact O-N 3.06Å; E17-T20 PolarHBondContact O-OG1 2.88Å; E17-K22 HydrophobicContact CB-CD 4.21Å; E17-K22 VanDerWaalsContact CD-NZ 3.34Å; E17-K22 IonicContact OE1-NZ 3.34Å; E17-K22 VanDerWaalsContact OE2-CD 3.3Å; E17-K22 WeakPolarHBondContact OE2-CD 3.49Å; E17-K22 WeakPolarHBondContact OE2-CE 3.4Å; E17-K22 IonicContact OE2-NZ 2.92Å; E17-K22 PolarHBondContact OE2-NZ 3.46Å; E17-W87 HydrophobicContact CB-CH2 4.04Å; E17-W87 HydrophobicContact CB-CZ3 4.23Å; E17-W87 HydrophobicContact CG-CH2 3.93Å; E17-W87 HydrophobicContact CG-CZ3 3.95Å |
| 18 | D | 84.3 | Confident | 93.4 | Very high | 132 Ų | 132 | 83.8 Ų | 83.8 | 71% | 0.706 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 48.7 | -177.9 | -53.9 | -34.3 | 0 | 0 | 0 | 113.5 | T20 | D18-T20 PolarHBondContact O-N 2.94Š|
| 19 | D | 84.9 | Confident | 93.5 | Very high | 141 Ų | 141 | 76.3 Ų | 76.3 | 75% | 0.754 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 8.6 | -176 | -62.3 | -37.3 | 0 | 0 | 0 | 116 | Q16 E17 | Q16-D19 PolarHBondContact NE2-OD1 3.09Å; E17-D19 VanDerWaalsContact C-N 3.31Å; E17-D19 PolarHBondContact O-N 2.95Å |
| 20 | T | 90.3 | Very high | 93.7 | Very high | 72 Ų | 72 | 71.7 Ų | 71.7 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.1 | 172.7 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | E17 D18 K22 | E17-T20 PolarHBondContact N-O 2.82Å; E17-T20 WeakPolarHBondContact O-CA 3.32Å; E17-T20 WeakPolarHBondContact O-CB 3.46Å; E17-T20 PolarHBondContact O-N 3.06Å; E17-T20 PolarHBondContact O-OG1 2.88Å; D18-T20 PolarHBondContact O-N 2.94Å; T20-K22 PolarHBondContact O-N 3.16Å; T20-K22 WeakPolarHBondContact OG1-CE 3.21Å |
| 21 | K | 91.9 | Very high | 93.9 | Very high | 170 Ų | 170 | 66.4 Ų | 66.4 | 74% | 0.739 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 118.1 | 172 | -172.3 | 175.3 | -176.9 | 175.7 | 0 | 109.1 | ||
| 22 | K | 93.7 | Very high | 94 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 34% | 0.339 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 162.7 | 176.1 | -64.5 | -174.2 | -174.2 | 179.2 | 0 | 110.3 | S14 Y15 E17 T20 | S14-K22 WeakPolarHBondContact CA-O 3.32Å; Y15-K22 HydrophobicContact CD1-CB 4.12Å; Y15-K22 HydrophobicContact CD2-CB 4.45Å; Y15-K22 HydrophobicContact CE1-CB 3.55Å; Y15-K22 HydrophobicContact CE2-CB 3.93Å; Y15-K22 HydrophobicContact CE2-CD 4.11Å; Y15-K22 VanDerWaalsContact CZ-CB 3.44Å; Y15-K22 PolarHBondContact N-O 3.48Å; Y15-K22 PolarHBondContact O-N 2.92Å; E17-K22 HydrophobicContact CB-CD 4.21Å; E17-K22 VanDerWaalsContact CD-NZ 3.34Å; E17-K22 IonicContact OE1-NZ 3.34Å; E17-K22 VanDerWaalsContact OE2-CD 3.3Å; E17-K22 WeakPolarHBondContact OE2-CD 3.49Å; E17-K22 WeakPolarHBondContact OE2-CE 3.4Å; E17-K22 IonicContact OE2-NZ 2.92Å; E17-K22 PolarHBondContact OE2-NZ 3.46Å; T20-K22 PolarHBondContact O-N 3.16Å; T20-K22 WeakPolarHBondContact OG1-CE 3.21Å |
| 23 | S | 94.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 56% | 0.559 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.2 | 176 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | F13 | F13-S23 CarbonylContact O-C 3.57Å; F13-S23 WeakPolarHBondContact O-CA 3.13Å |
| 24 | V | 96.7 | Very high | 94.2 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.7 | 175.6 | 63.9 | 0 | 0 | 0 | 0 | 109.5 | A12 F13 Y15 L26 D48 F69 | A12-V24 WeakPolarHBondContact CA-O 3.35Å; F13-V24 HydrophobicContact CB-CG1 3.99Å; F13-V24 HydrophobicContact CD1-CG1 4.06Å; F13-V24 PolarHBondContact N-O 2.89Å; F13-V24 PolarHBondContact O-N 3.5Å; Y15-V24 HydrophobicContact CD1-CG1 4.33Å; Y15-V24 HydrophobicContact CE1-CB 4.19Å; Y15-V24 HydrophobicContact CE1-CG1 4.18Å; V24-L26 HydrophobicContact CG1-CD2 3.92Å; V24-L26 HydrophobicContact CG1-CG 4.19Å; V24-L26 HydrophobicContact CG2-CD2 4.07Å; V24-D48 HydrophobicContact CG2-CB 3.74Å; V24-F69 HydrophobicContact CB-CD2 4.25Å; V24-F69 HydrophobicContact CG1-CD2 3.8Å; V24-F69 HydrophobicContact CG1-CE2 4.02Å; V24-F69 HydrophobicContact CG1-CG 4.09Å; V24-F69 HydrophobicContact CG1-CZ 4.47Å; V24-F69 HydrophobicContact CG2-CB 4.38Å; V24-F69 HydrophobicContact CG2-CD2 4.22Å |
| 25 | L | 97.7 | Very high | 94.3 | Very high | 89 Ų | 89 | 65.6 Ų | 65.6 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.6 | 174.9 | -168.2 | 72.4 | 0 | 0 | 0 | 108.7 | Q10 | Q10-L25 HydrophobicContact CB-CD1 3.81Å; Q10-L25 HydrophobicContact CB-CD2 4.47Å; Q10-L25 HydrophobicContact CB-CG 4.15Å; Q10-L25 HydrophobicContact CG-CD2 4.29Å; Q10-L25 HydrophobicContact CG-CG 4.41Å |
| 26 | L | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 152.1 | -177.3 | -53.1 | 173.5 | 0 | 0 | 0 | 110.8 | Q10 R11 F13 V24 W46 I47 D48 I67 F69 | Q10-L26 VanDerWaalsContact CA-O 3.32Å; Q10-L26 WeakPolarHBondContact CA-O 3.26Å; R11-L26 PolarHBondContact N-O 3.11Å; R11-L26 PolarHBondContact O-N 2.93Å; F13-L26 HydrophobicContact CB-CD1 3.63Å; F13-L26 HydrophobicContact CB-CG 4.28Å; F13-L26 HydrophobicContact CG-CD1 4.26Å; V24-L26 HydrophobicContact CG1-CD2 3.92Å; V24-L26 HydrophobicContact CG1-CG 4.19Å; V24-L26 HydrophobicContact CG2-CD2 4.07Å; L26-W46 HydrophobicContact CB-CB 3.96Å; L26-W46 HydrophobicContact CB-CE3 4.16Å; L26-W46 HydrophobicContact CD1-CB 4Å; L26-I47 WeakPolarHBondContact CA-O 3.1Å; L26-D48 HydrophobicContact CD2-CB 4.02Å; L26-I67 HydrophobicContact CD1-CB 4.44Å; L26-I67 HydrophobicContact CD1-CD1 4.24Å; L26-I67 HydrophobicContact CD1-CG1 4.06Å; L26-I67 HydrophobicContact CD1-CG2 3.59Å; L26-F69 HydrophobicContact CD2-CB 3.9Å; L26-F69 HydrophobicContact CD2-CG 4.42Å |
| 27 | R | 98.5 | Very high | 94.8 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 25% | 0.249 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.3 | 171.5 | -62.7 | 174.9 | 69.9 | -179.8 | 4.9 | 109.3 | L6 S7 E8 Q10 W46 I47 | L6-R27 HydrophobicContact CB-CB 3.98Å; L6-R27 HydrophobicContact CD1-CB 4.3Å; L6-R27 HydrophobicContact CD2-CB 4.29Å; L6-R27 HydrophobicContact CG-CB 4.42Å; S7-R27 PolarHBondContact O-NE 2.93Å; S7-R27 PolarHBondContact O-NH2 2.83Å; E8-R27 IonicContact OE1-NH2 3.83Å; E8-R27 PolarHBondContact OE1-NH2 2.69Å; E8-R27 VanDerWaalsContact OE1-NH2 3.11Å; E8-R27 IonicContact OE2-NH2 3.49Å; Q10-R27 HydrophobicContact CG-CG 4.09Å; R27-W46 VanDerWaalsContact C-CE3 3.49Å; R27-W46 WeakPolarHBondContact O-CA 3.22Å; R27-I47 PolarHBondContact N-O 3.32Å; R27-I47 PolarHBondContact O-N 3.24Å |
| 28 | Q | 98.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 9% | 0.093 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 140.4 | -177.9 | -160.5 | 178.1 | 26.4 | 0 | 0 | 110.6 | L6 S7 G44 G45 W46 | L6-Q28 CarbonylContact C-O 3.53Å; L6-Q28 WeakPolarHBondContact CA-O 3.48Å; S7-Q28 PolarHBondContact N-O 2.73Å; S7-Q28 WeakPolarHBondContact OG-CB 3.33Å; S7-Q28 PolarHBondContact OG-N 2.64Å; S7-Q28 VanDerWaalsContact OG-N 3.11Å; Q28-G44 WeakPolarHBondContact CG-O 3.48Å; Q28-G44 PolarHBondContact NE2-O 2.99Å; Q28-G45 WeakPolarHBondContact CA-O 3.3Å; Q28-G45 WeakPolarHBondContact CG-O 3.47Å; Q28-W46 HydrophobicContact CB-CD2 4.01Å; Q28-W46 HydrophobicContact CB-CE3 4.01Å; Q28-W46 HydrophobicContact CB-CH2 4Å; Q28-W46 HydrophobicContact CB-CZ2 4Å; Q28-W46 HydrophobicContact CB-CZ3 4Å; Q28-W46 HydrophobicContact CG-CD2 4.31Å; Q28-W46 HydrophobicContact CG-CZ2 4.21Å |
| 29 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 138 | 171 | 66.3 | -177.8 | 0 | 0 | 0 | 110.4 | Y4 L6 G44 G45 I47 L53 W60 I61 | Y4-I29 HydrophobicContact CD2-CB 3.87Å; Y4-I29 HydrophobicContact CD2-CG2 3.82Å; Y4-I29 HydrophobicContact CE2-CB 4.34Å; Y4-I29 HydrophobicContact CE2-CG2 3.76Å; L6-I29 HydrophobicContact CD2-CG2 4.11Å; I29-G44 PolarHBondContact O-N 2.9Å; I29-G45 WeakPolarHBondContact CG1-O 3.46Å; I29-G45 PolarHBondContact N-O 2.85Å; I29-I47 HydrophobicContact CG2-CD1 3.5Å; I29-I47 HydrophobicContact CG2-CG1 3.79Å; I29-I47 HydrophobicContact CG2-CG2 4.32Å; I29-L53 HydrophobicContact CD1-CD2 3.63Å; I29-L53 HydrophobicContact CG2-CD2 4.42Å; I29-W60 HydrophobicContact CB-CH2 3.87Å; I29-W60 HydrophobicContact CB-CZ2 4.5Å; I29-W60 HydrophobicContact CB-CZ3 4.26Å; I29-W60 HydrophobicContact CD1-CD2 3.94Å; I29-W60 HydrophobicContact CD1-CE3 3.81Å; I29-W60 HydrophobicContact CD1-CH2 3.63Å; I29-W60 HydrophobicContact CD1-CZ2 3.77Å; I29-W60 HydrophobicContact CD1-CZ3 3.63Å; I29-W60 HydrophobicContact CG1-CH2 3.56Å; I29-W60 HydrophobicContact CG1-CZ2 3.73Å; I29-W60 HydrophobicContact CG1-CZ3 4.05Å; I29-I61 HydrophobicContact CD1-CB 3.79Å; I29-I61 HydrophobicContact CD1-CD1 4.48Å; I29-I61 HydrophobicContact CD1-CG1 4.22Å |
| 30 | I | 98.4 | Very high | 96.7 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 122.3 | 176.3 | -58.6 | 172.7 | 0 | 0 | 0 | 108.4 | Y4 R5 T42 | Y4-I30 VanDerWaalsContact CA-O 3.26Å; Y4-I30 WeakPolarHBondContact CA-O 3.32Å; Y4-I30 WeakPolarHBondContact CB-O 3.37Å; R5-I30 HydrophobicContact CG-CB 4.31Å; R5-I30 PolarHBondContact N-O 3.01Å; R5-I30 PolarHBondContact O-N 3.11Å; I30-T42 WeakPolarHBondContact CA-O 3.32Å |
| 31 | A | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 136.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F35 V38 G41 T42 W60 | A31-F35 HydrophobicContact CB-CE1 4.08Å; A31-V38 HydrophobicContact CB-CG1 3.75Å; A31-G41 PolarHBondContact O-N 3.04Å; A31-T42 PolarHBondContact N-O 2.65Å; A31-W60 HydrophobicContact CB-CH2 4.1Å; A31-W60 HydrophobicContact CB-CZ2 4.19Å |
| 32 | I | 97.8 | Very high | 97.3 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 40% | 0.395 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -116 | -4.2 | 177.4 | 65.6 | 175.1 | 0 | 0 | 0 | 113.3 | R2 K3 R5 | R2-I32 HydrophobicContact CB-CD1 3.68Å; R2-I32 WeakPolarHBondContact O-CD1 3.32Å; R2-I32 WeakPolarHBondContact O-CG1 3.47Å; K3-I32 WeakPolarHBondContact O-CG1 3.4Å; K3-I32 PolarHBondContact O-N 2.97Å; R5-I32 HydrophobicContact CB-CG2 4.06Å; R5-I32 HydrophobicContact CG-CG2 3.65Å |
| 33 | S | 97 | Very high | 97.5 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -145.8 | 158.2 | 174.1 | 58.5 | 0 | 0 | 0 | 0 | 109.1 | F35 | S33-F35 VanDerWaalsContact O-CD1 3.3Å; S33-F35 WeakPolarHBondContact O-CD1 3.36Å |
| 34 | D | 97.5 | Very high | 97.7 | Very high | 114 Ų | 114 | 47.5 Ų | 47.5 | 61% | 0.61 | 27% | 0.274 | S | S | * | . | trans | -74.8 | 138.8 | 172.6 | -58.7 | -17.8 | 0 | 0 | 0 | 110.4 | V38 I39 A40 | D34-V38 WeakPolarHBondContact CA-O 3.33Å; D34-I39 WeakPolarHBondContact OD1-CA 3.3Å; D34-A40 WeakPolarHBondContact OD1-CB 3.49Å; D34-A40 PolarHBondContact OD1-N 3.02Å | ||
| 35 | F | 96.6 | Very high | 97.8 | Very high | 25 Ų | 25 | 46.5 Ų | 46.5 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -160 | 145.8 | 172.9 | 61.2 | -82.8 | 0 | 0 | 0 | 109.9 | K3 A31 S33 D37 V38 W60 | K3-F35 HydrophobicContact CD-CD1 3.78Å; K3-F35 HydrophobicContact CD-CD2 3.75Å; K3-F35 HydrophobicContact CD-CE1 3.75Å; K3-F35 HydrophobicContact CD-CE2 3.71Å; K3-F35 HydrophobicContact CD-CG 3.78Å; K3-F35 HydrophobicContact CD-CZ 3.71Å; K3-F35 HydrophobicContact CG-CD1 3.42Å; K3-F35 VanDerWaalsContact CG-CD1 3.42Å; K3-F35 HydrophobicContact CG-CD2 4.34Å; K3-F35 HydrophobicContact CG-CE1 3.31Å; K3-F35 HydrophobicContact CG-CE2 4.25Å; K3-F35 HydrophobicContact CG-CG 3.95Å; K3-F35 HydrophobicContact CG-CZ 3.76Å; A31-F35 HydrophobicContact CB-CE1 4.08Å; S33-F35 VanDerWaalsContact O-CD1 3.3Å; S33-F35 WeakPolarHBondContact O-CD1 3.36Å; F35-D37 PolarHBondContact O-N 2.88Å; F35-D37 VanDerWaalsContact O-N 3.11Å; F35-V38 HydrophobicContact CD1-CB 4.34Å; F35-V38 HydrophobicContact CD2-CB 4.29Å; F35-V38 HydrophobicContact CD2-CG2 4.49Å; F35-V38 HydrophobicContact CE1-CB 3.86Å; F35-V38 HydrophobicContact CE1-CG1 3.77Å; F35-V38 HydrophobicContact CE2-CB 3.8Å; F35-V38 HydrophobicContact CE2-CG1 4.37Å; F35-V38 HydrophobicContact CE2-CG2 3.77Å; F35-V38 HydrophobicContact CZ-CB 3.56Å; F35-V38 HydrophobicContact CZ-CG1 3.63Å; F35-V38 HydrophobicContact CZ-CG2 3.84Å; F35-V38 PolarHBondContact N-O 2.84Å; F35-V38 WeakPolarHBondContact O-CA 3.46Å; F35-V38 PolarHBondContact O-N 3.27Å; F35-V38 VanDerWaalsContact O-O 3.14Å; F35-W60 HydrophobicContact CE2-CB 4.2Å; F35-W60 HydrophobicContact CE2-CD2 4.38Å; F35-W60 HydrophobicContact CE2-CE3 4.26Å; F35-W60 HydrophobicContact CE2-CG 4.38Å; F35-W60 HydrophobicContact CZ-CB 4.48Å; F35-W60 AromaticContact CZ-CD2 3.79Å; F35-W60 HydrophobicContact CZ-CD2 3.79Å; F35-W60 AromaticContact CZ-CE3 3.54Å; F35-W60 HydrophobicContact CZ-CE3 3.54Å; F35-W60 HydrophobicContact CZ-CG 4.21Å; F35-W60 HydrophobicContact CZ-CZ3 4.06Å |
| 36 | N | 95.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 43 Ų | 43 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | -118.4 | -174 | -167.8 | 32.5 | 0 | 0 | 0 | 111.5 | N58 Y62 | N36-N58 HydrophobicContact CB-CB 4.03Å; N36-Y62 PolarHBondContact ND2-OH 3.33Å |
| 37 | D | 96.4 | Very high | 97.8 | Very high | 103 Ų | 103 | 43 Ų | 43 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 5.1 | 175.6 | 61 | -18.2 | 0 | 0 | 0 | 113.3 | F35 Y62 | F35-D37 PolarHBondContact O-N 2.88Å; F35-D37 VanDerWaalsContact O-N 3.11Å; D37-Y62 WeakPolarHBondContact OD1-CE1 3.23Å; D37-Y62 PolarHBondContact OD1-OH 2.92Å |
| 38 | V | 98.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -96 | 125.5 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | A31 D34 F35 T42 W60 Y62 | A31-V38 HydrophobicContact CB-CG1 3.75Å; D34-V38 WeakPolarHBondContact CA-O 3.33Å; F35-V38 HydrophobicContact CD1-CB 4.34Å; F35-V38 HydrophobicContact CD2-CB 4.29Å; F35-V38 HydrophobicContact CD2-CG2 4.49Å; F35-V38 HydrophobicContact CE1-CB 3.86Å; F35-V38 HydrophobicContact CE1-CG1 3.77Å; F35-V38 HydrophobicContact CE2-CB 3.8Å; F35-V38 HydrophobicContact CE2-CG1 4.37Å; F35-V38 HydrophobicContact CE2-CG2 3.77Å; F35-V38 HydrophobicContact CZ-CB 3.56Å; F35-V38 HydrophobicContact CZ-CG1 3.63Å; F35-V38 HydrophobicContact CZ-CG2 3.84Å; F35-V38 PolarHBondContact N-O 2.84Å; F35-V38 WeakPolarHBondContact O-CA 3.46Å; F35-V38 PolarHBondContact O-N 3.27Å; F35-V38 VanDerWaalsContact O-O 3.14Å; V38-T42 HydrophobicContact CG1-CG2 4.32Å; V38-W60 HydrophobicContact CG1-CZ2 4.4Å; V38-W60 HydrophobicContact CG2-CB 4.35Å; V38-W60 HydrophobicContact CG2-CD2 4.44Å; V38-W60 HydrophobicContact CG2-CG 3.9Å; V38-Y62 HydrophobicContact CG2-CE1 3.74Å |
| 39 | I | 97.8 | Very high | 97.8 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 144.6 | 179.1 | -57.5 | 172.1 | 0 | 0 | 0 | 110 | D34 G41 T42 | D34-I39 WeakPolarHBondContact OD1-CA 3.3Å; I39-G41 PolarHBondContact O-N 3.43Å; I39-T42 WeakPolarHBondContact O-CB 3.47Å; I39-T42 PolarHBondContact O-N 2.84Å; I39-T42 PolarHBondContact O-OG1 3.47Å |
| 40 | A | 98.2 | Very high | 97.7 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 135.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D34 T42 | D34-A40 WeakPolarHBondContact OD1-CB 3.49Å; D34-A40 PolarHBondContact OD1-N 3.02Å; A40-T42 VanDerWaalsContact C-N 3.34Å |
| 41 | G | 97.9 | Very high | 97.6 | Very high | 55 Ų | 55 | 54.3 Ų | 54.3 | 57% | 0.567 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -11.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A31 I39 A43 | A31-G41 PolarHBondContact O-N 3.04Å; I39-G41 PolarHBondContact O-N 3.43Å; G41-A43 PolarHBondContact O-N 3.48Å |
| 42 | T | 98.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | trans | -62.2 | 126.5 | 175.4 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | I30 A31 V38 I39 A40 | I30-T42 WeakPolarHBondContact CA-O 3.32Å; A31-T42 PolarHBondContact N-O 2.65Å; V38-T42 HydrophobicContact CG1-CG2 4.32Å; I39-T42 WeakPolarHBondContact O-CB 3.47Å; I39-T42 PolarHBondContact O-N 2.84Å; I39-T42 PolarHBondContact O-OG1 3.47Å; A40-T42 VanDerWaalsContact C-N 3.34Å | ||
| 43 | A | 98.1 | Very high | 97.6 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 21% | 0.207 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G41 | G41-A43 PolarHBondContact O-N 3.48Å |
| 44 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -153.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q28 I29 I61 | Q28-G44 WeakPolarHBondContact CG-O 3.48Å; Q28-G44 PolarHBondContact NE2-O 2.99Å; I29-G44 PolarHBondContact O-N 2.9Å; G44-I61 CarbonylContact C-O 3.57Å; G44-I61 WeakPolarHBondContact CA-O 3.31Å |
| 45 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -165.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q28 I29 I61 D63 A66 | Q28-G45 WeakPolarHBondContact CA-O 3.3Å; Q28-G45 WeakPolarHBondContact CG-O 3.47Å; I29-G45 WeakPolarHBondContact CG1-O 3.46Å; I29-G45 PolarHBondContact N-O 2.85Å; G45-I61 PolarHBondContact N-O 2.96Å; G45-D63 WeakPolarHBondContact CA-O 3.44Å; G45-D63 PolarHBondContact N-O 2.9Å; G45-A66 VanDerWaalsContact CA-O 3.31Å; G45-A66 WeakPolarHBondContact CA-O 3.27Å |
| 46 | W | 98.7 | Very high | 97.7 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.4 | -169.3 | -63.9 | 79.4 | 0 | 0 | 0 | 112.1 | E9 R11 L26 R27 Q28 Q64 A66 I67 A68 | E9-W46 HydrophobicContact CG-CH2 4.02Å; E9-W46 HydrophobicContact CG-CZ3 4.47Å; R11-W46 HydrophobicContact CB-CE3 3.87Å; R11-W46 HydrophobicContact CB-CH2 4.14Å; R11-W46 HydrophobicContact CB-CZ3 3.66Å; L26-W46 HydrophobicContact CB-CB 3.96Å; L26-W46 HydrophobicContact CB-CE3 4.16Å; L26-W46 HydrophobicContact CD1-CB 4Å; R27-W46 VanDerWaalsContact C-CE3 3.49Å; R27-W46 WeakPolarHBondContact O-CA 3.22Å; Q28-W46 HydrophobicContact CB-CD2 4.01Å; Q28-W46 HydrophobicContact CB-CE3 4.01Å; Q28-W46 HydrophobicContact CB-CH2 4Å; Q28-W46 HydrophobicContact CB-CZ2 4Å; Q28-W46 HydrophobicContact CB-CZ3 4Å; Q28-W46 HydrophobicContact CG-CD2 4.31Å; Q28-W46 HydrophobicContact CG-CZ2 4.21Å; W46-Q64 PolarHBondContact NE1-O 2.86Å; W46-A66 PolarHBondContact N-O 2.87Å; W46-I67 HydrophobicContact CB-CG1 4.26Å; W46-I67 WeakPolarHBondContact O-CA 3.18Å; W46-A68 PolarHBondContact O-N 3.03Å |
| 47 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.5 | 179.3 | 67.2 | -178.4 | 0 | 0 | 0 | 113 | Y4 L6 L26 R27 I29 R49 V52 L53 I61 A68 | Y4-I47 HydrophobicContact CE2-CD1 3.93Å; L6-I47 HydrophobicContact CD2-CD1 3.78Å; L6-I47 HydrophobicContact CD2-CG1 3.62Å; L26-I47 WeakPolarHBondContact CA-O 3.1Å; R27-I47 PolarHBondContact N-O 3.32Å; R27-I47 PolarHBondContact O-N 3.24Å; I29-I47 HydrophobicContact CG2-CD1 3.5Å; I29-I47 HydrophobicContact CG2-CG1 3.79Å; I29-I47 HydrophobicContact CG2-CG2 4.32Å; I47-R49 VanDerWaalsContact CD1-O 3.32Å; I47-R49 WeakPolarHBondContact CD1-O 3.48Å; I47-V52 HydrophobicContact CB-CB 3.95Å; I47-V52 HydrophobicContact CB-CG1 4.06Å; I47-V52 HydrophobicContact CB-CG2 4.26Å; I47-V52 HydrophobicContact CD1-CB 4.21Å; I47-V52 HydrophobicContact CG2-CB 4.01Å; I47-V52 HydrophobicContact CG2-CG1 3.63Å; I47-L53 HydrophobicContact CD1-CB 4.29Å; I47-I61 HydrophobicContact CG2-CD1 3.67Å; I47-A68 WeakPolarHBondContact CA-O 3.36Å; I47-A68 HydrophobicContact CG2-CB 4.21Å |
| 48 | D | 98 | Very high | 97.8 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -80.6 | -33.1 | 177.7 | 72.5 | -39 | 0 | 0 | 0 | 112.5 | V24 L26 V52 F69 G70 | V24-D48 HydrophobicContact CG2-CB 3.74Å; L26-D48 HydrophobicContact CD2-CB 4.02Å; D48-V52 WeakPolarHBondContact OD1-CG2 3.17Å; D48-F69 HydrophobicContact CB-CB 3.88Å; D48-F69 WeakPolarHBondContact OD1-CA 3.07Å; D48-G70 PolarHBondContact OD2-N 2.93Å |
| 49 | R | 97.2 | Very high | 97.8 | Very high | 137 Ų | 137 | 48 Ų | 48 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -142.2 | 151.7 | -174.6 | -75.4 | 177.4 | -92.8 | -162.8 | -4.2 | 112.8 | I47 T51 V52 | I47-R49 VanDerWaalsContact CD1-O 3.32Å; I47-R49 WeakPolarHBondContact CD1-O 3.48Å; R49-T51 PolarHBondContact O-N 2.88Å; R49-V52 WeakPolarHBondContact O-CB 3.47Å; R49-V52 WeakPolarHBondContact O-CG2 3.48Å; R49-V52 PolarHBondContact O-N 2.8Å; R49-V52 VanDerWaalsContact O-N 3.09Å |
| 50 | E | 96.5 | Very high | 97.9 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 38% | 0.383 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17 | 175.3 | -70.1 | -166.8 | 167.4 | 0 | 0 | 113.2 | R2 Y4 L6 V52 | R2-E50 IonicContact CZ-OE1 2.82Å; R2-E50 IonicContact CZ-OE2 3.99Å; R2-E50 IonicContact NH1-OE1 2.77Å; R2-E50 PolarHBondContact NH1-OE1 2.8Å; R2-E50 IonicContact NH1-OE2 2.91Å; R2-E50 PolarHBondContact NH1-OE2 3.41Å; R2-E50 IonicContact NH2-OE1 3.44Å; R2-E50 IonicContact NH2-OE2 3.37Å; R2-E50 PolarHBondContact NH2-OE2 2.74Å; Y4-E50 PolarHBondContact OH-O 2.94Å; L6-E50 HydrophobicContact CD1-CG 3.86Å; L6-E50 HydrophobicContact CG-CG 4.21Å; E50-V52 VanDerWaalsContact C-N 3.3Å |
| 51 | T | 96.7 | Very high | 97.9 | Very high | 101 Ų | 101 | 40.3 Ų | 40.3 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.3 | 177.8 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | R49 | R49-T51 PolarHBondContact O-N 2.88Š|
| 52 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -70.6 | -35.2 | -176.3 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | I47 D48 R49 E50 A68 T72 V73 I74 | I47-V52 HydrophobicContact CB-CB 3.95Å; I47-V52 HydrophobicContact CB-CG1 4.06Å; I47-V52 HydrophobicContact CB-CG2 4.26Å; I47-V52 HydrophobicContact CD1-CB 4.21Å; I47-V52 HydrophobicContact CG2-CB 4.01Å; I47-V52 HydrophobicContact CG2-CG1 3.63Å; D48-V52 WeakPolarHBondContact OD1-CG2 3.17Å; R49-V52 WeakPolarHBondContact O-CB 3.47Å; R49-V52 WeakPolarHBondContact O-CG2 3.48Å; R49-V52 PolarHBondContact O-N 2.8Å; R49-V52 VanDerWaalsContact O-N 3.09Å; E50-V52 VanDerWaalsContact C-N 3.3Å; V52-A68 HydrophobicContact CG1-CB 3.57Å; V52-T72 VanDerWaalsContact CA-O 3.32Å; V52-T72 WeakPolarHBondContact CA-O 3.48Å; V52-T72 HydrophobicContact CG1-CG2 4.34Å; V52-V73 CarbonylContact O-C 3.54Å; V52-I74 HydrophobicContact CG1-CD1 4.3Å; V52-I74 WeakPolarHBondContact O-CB 3.39Å; V52-I74 PolarHBondContact O-N 3.25Å |
| 53 | L | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -120 | 124.8 | -179.2 | -176.2 | 70.6 | 0 | 0 | 0 | 109.4 | Y4 I29 I47 Q55 C59 W60 I74 | Y4-L53 HydrophobicContact CD1-CD2 4.01Å; Y4-L53 HydrophobicContact CE1-CB 3.96Å; Y4-L53 HydrophobicContact CE1-CD2 3.86Å; Y4-L53 HydrophobicContact CE1-CG 3.97Å; Y4-L53 WeakPolarHBondContact CE1-O 3.34Å; Y4-L53 HydrophobicContact CG-CD2 4.45Å; Y4-L53 PolarHBondContact OH-O 2.89Å; I29-L53 HydrophobicContact CD1-CD2 3.63Å; I29-L53 HydrophobicContact CG2-CD2 4.42Å; I47-L53 HydrophobicContact CD1-CB 4.29Å; L53-Q55 PolarHBondContact O-N 3.32Å; L53-C59 HydrophobicContact CD1-CB 4.07Å; L53-W60 HydrophobicContact CD2-CE3 3.65Å; L53-W60 HydrophobicContact CD2-CZ3 3.79Å; L53-I74 HydrophobicContact CD1-CB 3.96Å; L53-I74 HydrophobicContact CD1-CG2 3.73Å |
| 54 | A | 98.3 | Very high | 97.9 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | trans | -65.8 | 138.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K3 E56 I74 | K3-A54 WeakPolarHBondContact CE-O 3.43Å; K3-A54 PolarHBondContact NZ-O 2.96Å; A54-E56 PolarHBondContact O-N 2.77Å; A54-I74 PolarHBondContact N-O 3Å | ||
| 55 | Q | 97.8 | Very high | 97.8 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -72.2 | -20.9 | 172 | -69.1 | -73.2 | -10.4 | 0 | 0 | 112 | K3 Y4 L53 | K3-Q55 WeakPolarHBondContact CB-O 3.28Å; Y4-Q55 HydrophobicContact CE1-CG 4.3Å; Y4-Q55 PolarHBondContact O-NE2 3.49Å; Y4-Q55 VanDerWaalsContact O-NE2 3.13Å; L53-Q55 PolarHBondContact O-N 3.32Å |
| 56 | E | 96.5 | Very high | 97.8 | Very high | 165 Ų | 165 | 48.3 Ų | 48.3 | 77% | 0.771 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -94.3 | 161.9 | 176.1 | -61.9 | -176.7 | -179.6 | 0 | 0 | 111.6 | K3 A54 | K3-E56 PolarHBondContact NZ-O 3.28Å; A54-E56 PolarHBondContact O-N 2.77Å |
| 57 | G | 96.4 | Very high | 97.8 | Very high | 40 Ų | 40 | 48 Ų | 48 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 66.4 | -173.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K3 G76 | K3-G57 PolarHBondContact NZ-O 2.9Å; G57-G76 CarbonylContact C-O 3.59Å; G57-G76 WeakPolarHBondContact CA-O 3.44Å |
| 58 | N | 97.9 | Very high | 97.8 | Very high | 59 Ų | 59 | 48 Ų | 48 | 32% | 0.316 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -98.3 | 9.3 | -175.6 | -59.2 | -56.2 | 0 | 0 | 0 | 114.1 | N36 W60 G76 N77 | N36-N58 HydrophobicContact CB-CB 4.03Å; N58-W60 PolarHBondContact O-N 3.15Å; N58-G76 PolarHBondContact N-O 3.48Å; N58-N77 HydrophobicContact CB-CB 4.42Å; N58-N77 WeakPolarHBondContact CB-OD1 3.36Å; N58-N77 PolarHBondContact N-OD1 3.4Å; N58-N77 PolarHBondContact ND2-OD1 3.09Å |
| 59 | C | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -58.7 | 139.6 | -178.9 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | K3 L53 I74 S75 G76 T78 | K3-C59 PolarHBondContact NZ-O 2.92Å; K3-C59 PolarHBondContact NZ-SG 3.34Å; L53-C59 HydrophobicContact CD1-CB 4.07Å; C59-I74 HydrophobicContact CB-CG2 4.08Å; C59-S75 WeakPolarHBondContact CB-O 3.48Å; C59-G76 WeakPolarHBondContact CB-O 3.19Å; C59-G76 PolarHBondContact N-O 2.9Å; C59-T78 WeakPolarHBondContact CA-O 3.42Å; C59-T78 WeakPolarHBondContact CB-O 3.41Å | ||
| 60 | W | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 149.4 | -178.1 | -164.6 | -116.9 | 0 | 0 | 0 | 112.5 | Y4 I29 A31 F35 V38 L53 N58 Y62 T78 I80 | Y4-W60 HydrophobicContact CD1-CZ3 4.31Å; Y4-W60 HydrophobicContact CG-CH2 4.48Å; Y4-W60 AromaticContact CG-CZ3 3.95Å; Y4-W60 HydrophobicContact CG-CZ3 3.95Å; I29-W60 HydrophobicContact CB-CH2 3.87Å; I29-W60 HydrophobicContact CB-CZ2 4.5Å; I29-W60 HydrophobicContact CB-CZ3 4.26Å; I29-W60 HydrophobicContact CD1-CD2 3.94Å; I29-W60 HydrophobicContact CD1-CE3 3.81Å; I29-W60 HydrophobicContact CD1-CH2 3.63Å; I29-W60 HydrophobicContact CD1-CZ2 3.77Å; I29-W60 HydrophobicContact CD1-CZ3 3.63Å; I29-W60 HydrophobicContact CG1-CH2 3.56Å; I29-W60 HydrophobicContact CG1-CZ2 3.73Å; I29-W60 HydrophobicContact CG1-CZ3 4.05Å; A31-W60 HydrophobicContact CB-CH2 4.1Å; A31-W60 HydrophobicContact CB-CZ2 4.19Å; F35-W60 HydrophobicContact CE2-CB 4.2Å; F35-W60 HydrophobicContact CE2-CD2 4.38Å; F35-W60 HydrophobicContact CE2-CE3 4.26Å; F35-W60 HydrophobicContact CE2-CG 4.38Å; F35-W60 HydrophobicContact CZ-CB 4.48Å; F35-W60 AromaticContact CZ-CD2 3.79Å; F35-W60 HydrophobicContact CZ-CD2 3.79Å; F35-W60 AromaticContact CZ-CE3 3.54Å; F35-W60 HydrophobicContact CZ-CE3 3.54Å; F35-W60 HydrophobicContact CZ-CG 4.21Å; F35-W60 HydrophobicContact CZ-CZ3 4.06Å; V38-W60 HydrophobicContact CG1-CZ2 4.4Å; V38-W60 HydrophobicContact CG2-CB 4.35Å; V38-W60 HydrophobicContact CG2-CD2 4.44Å; V38-W60 HydrophobicContact CG2-CG 3.9Å; L53-W60 HydrophobicContact CD2-CE3 3.65Å; L53-W60 HydrophobicContact CD2-CZ3 3.79Å; N58-W60 PolarHBondContact O-N 3.15Å; W60-Y62 HydrophobicContact CB-CD2 4.1Å; W60-Y62 HydrophobicContact CB-CE2 3.7Å; W60-Y62 AromaticContact CD1-CD1 3.86Å; W60-Y62 AromaticContact CD1-CD2 3.88Å; W60-Y62 AromaticContact CD1-CG 3.77Å; W60-Y62 HydrophobicContact CG-CD2 4.4Å; W60-Y62 HydrophobicContact CG-CE2 4.32Å; W60-T78 PolarHBondContact N-O 3.49Å; W60-T78 VanDerWaalsContact N-O 3.09Å; W60-I80 PolarHBondContact O-N 3.31Å |
| 61 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 100 | 170.4 | -51.3 | 174.8 | 0 | 0 | 0 | 107 | I29 G44 G45 I47 A66 A68 I74 I80 | I29-I61 HydrophobicContact CD1-CB 3.79Å; I29-I61 HydrophobicContact CD1-CD1 4.48Å; I29-I61 HydrophobicContact CD1-CG1 4.22Å; G44-I61 CarbonylContact C-O 3.57Å; G44-I61 WeakPolarHBondContact CA-O 3.31Å; G45-I61 PolarHBondContact N-O 2.96Å; I47-I61 HydrophobicContact CG2-CD1 3.67Å; I61-A66 HydrophobicContact CG2-CB 3.44Å; I61-A66 VanDerWaalsContact CG2-CB 3.44Å; I61-A68 HydrophobicContact CD1-CB 3.9Å; I61-I74 HydrophobicContact CD1-CD1 3.81Å; I61-I74 HydrophobicContact CG1-CD1 4.04Å; I61-I80 HydrophobicContact CB-CB 4.31Å; I61-I80 HydrophobicContact CG1-CB 4.14Å; I61-I80 HydrophobicContact CG1-CG1 4.1Å; I61-I80 HydrophobicContact CG2-CB 4.08Å; I61-I80 HydrophobicContact CG2-CG2 4.15Å |
| 62 | Y | 98.6 | Very high | 97.8 | Very high | 58 Ų | 58 | 34 Ų | 34 | 23% | 0.227 | 19% | 0.193 | C | C | . | . | trans | -76.9 | -39.1 | -169.7 | -73 | -98.5 | 0 | 0 | 0 | 112.9 | N36 D37 V38 W60 R79 I80 T81 | N36-Y62 PolarHBondContact ND2-OH 3.33Å; D37-Y62 WeakPolarHBondContact OD1-CE1 3.23Å; D37-Y62 PolarHBondContact OD1-OH 2.92Å; V38-Y62 HydrophobicContact CG2-CE1 3.74Å; W60-Y62 HydrophobicContact CB-CD2 4.1Å; W60-Y62 HydrophobicContact CB-CE2 3.7Å; W60-Y62 AromaticContact CD1-CD1 3.86Å; W60-Y62 AromaticContact CD1-CD2 3.88Å; W60-Y62 AromaticContact CD1-CG 3.77Å; W60-Y62 HydrophobicContact CG-CD2 4.4Å; W60-Y62 HydrophobicContact CG-CE2 4.32Å; Y62-R79 HydrophobicContact CD2-CB 4.42Å; Y62-R79 HydrophobicContact CE2-CB 4Å; Y62-R79 HydrophobicContact CE2-CG 3.92Å; Y62-I80 PolarHBondContact N-O 2.92Å; Y62-T81 HydrophobicContact CD2-CG2 4.06Å; Y62-T81 HydrophobicContact CG-CG2 4.22Å | ||
| 63 | D | 97.8 | Very high | 97.9 | Very high | 45 Ų | 45 | 36.1 Ų | 36.1 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | trans | -79.9 | 132.5 | -177.5 | -163.5 | -65 | 0 | 0 | 0 | 110.9 | G45 N65 A66 G82 | G45-D63 WeakPolarHBondContact CA-O 3.44Å; G45-D63 PolarHBondContact N-O 2.9Å; D63-N65 PolarHBondContact O-N 3.24Å; D63-N65 WeakPolarHBondContact OD1-CA 3.5Å; D63-N65 VanDerWaalsContact OD1-CB 3.29Å; D63-N65 WeakPolarHBondContact OD1-CB 3.46Å; D63-N65 PolarHBondContact OD1-N 2.98Å; D63-N65 PolarHBondContact OD1-ND2 2.79Å; D63-A66 HydrophobicContact CB-CB 4.02Å; D63-A66 PolarHBondContact O-N 3.07Å; D63-G82 WeakPolarHBondContact CB-O 3.44Å; D63-G82 VanDerWaalsContact CG-O 3.31Å | ||
| 64 | Q | 97.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 36 Ų | 36 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -8.6 | -179.4 | -63.3 | -177.7 | 38.2 | 0 | 0 | 113.6 | W46 | W46-Q64 PolarHBondContact NE1-O 2.86Š|
| 65 | N | 96.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 36 Ų | 36 | 50% | 0.503 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -9.2 | 172.7 | -59 | -61.1 | 0 | 0 | 0 | 112.8 | D63 T83 | D63-N65 PolarHBondContact O-N 3.24Å; D63-N65 WeakPolarHBondContact OD1-CA 3.5Å; D63-N65 VanDerWaalsContact OD1-CB 3.29Å; D63-N65 WeakPolarHBondContact OD1-CB 3.46Å; D63-N65 PolarHBondContact OD1-N 2.98Å; D63-N65 PolarHBondContact OD1-ND2 2.79Å; N65-T83 HydrophobicContact CB-CG2 4.04Å |
| 66 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -70.2 | 145.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G45 W46 I61 D63 I80 S84 | G45-A66 VanDerWaalsContact CA-O 3.31Å; G45-A66 WeakPolarHBondContact CA-O 3.27Å; W46-A66 PolarHBondContact N-O 2.87Å; I61-A66 HydrophobicContact CG2-CB 3.44Å; I61-A66 VanDerWaalsContact CG2-CB 3.44Å; D63-A66 HydrophobicContact CB-CB 4.02Å; D63-A66 PolarHBondContact O-N 3.07Å; A66-I80 HydrophobicContact CB-CG2 4.22Å; A66-S84 CarbonylContact C-O 3.45Å; A66-S84 WeakPolarHBondContact CA-O 3.41Å; A66-S84 WeakPolarHBondContact CB-O 3.15Å | ||
| 67 | I | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 132 | -170.2 | -68.6 | 167 | 0 | 0 | 0 | 109.2 | F13 L26 W46 F69 S84 V85 L86 | F13-I67 HydrophobicContact CD1-CG2 4.47Å; F13-I67 HydrophobicContact CD2-CD1 3.63Å; F13-I67 HydrophobicContact CE2-CD1 3.7Å; F13-I67 HydrophobicContact CG-CD1 4.11Å; F13-I67 HydrophobicContact CZ-CD1 4.23Å; L26-I67 HydrophobicContact CD1-CB 4.44Å; L26-I67 HydrophobicContact CD1-CD1 4.24Å; L26-I67 HydrophobicContact CD1-CG1 4.06Å; L26-I67 HydrophobicContact CD1-CG2 3.59Å; W46-I67 HydrophobicContact CB-CG1 4.26Å; W46-I67 WeakPolarHBondContact O-CA 3.18Å; I67-F69 HydrophobicContact CG2-CD1 3.45Å; I67-F69 VanDerWaalsContact CG2-CD1 3.45Å; I67-F69 HydrophobicContact CG2-CE1 3.71Å; I67-S84 PolarHBondContact N-O 2.99Å; I67-V85 CarbonylContact O-C 3.54Å; I67-V85 WeakPolarHBondContact O-CA 3.31Å; I67-L86 PolarHBondContact O-N 3.41Å |
| 68 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W46 I47 V52 I61 T72 I74 L86 | W46-A68 PolarHBondContact O-N 3.03Å; I47-A68 WeakPolarHBondContact CA-O 3.36Å; I47-A68 HydrophobicContact CG2-CB 4.21Å; V52-A68 HydrophobicContact CG1-CB 3.57Å; I61-A68 HydrophobicContact CD1-CB 3.9Å; A68-T72 HydrophobicContact CB-CG2 4.18Å; A68-I74 HydrophobicContact CB-CD1 3.65Å; A68-L86 CarbonylContact C-O 3.56Å; A68-L86 VanDerWaalsContact CA-O 3.23Å; A68-L86 WeakPolarHBondContact CA-O 3.38Å; A68-L86 HydrophobicContact CB-CB 4.17Å |
| 69 | F | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | -175.9 | -173.4 | 65.3 | -80.1 | 0 | 0 | 0 | 113.2 | F13 Y15 V24 L26 D48 I67 G71 T72 V85 L86 W87 | F13-F69 AromaticContact CD1-CE1 3.99Å; F13-F69 HydrophobicContact CD1-CE1 3.99Å; F13-F69 HydrophobicContact CD1-CZ 4.08Å; F13-F69 AromaticContact CE1-CE1 3.82Å; F13-F69 HydrophobicContact CE1-CE1 3.82Å; F13-F69 AromaticContact CE1-CZ 3.9Å; F13-F69 HydrophobicContact CE1-CZ 3.9Å; Y15-F69 AromaticContact CD1-CE2 3.83Å; Y15-F69 HydrophobicContact CD1-CE2 3.83Å; Y15-F69 HydrophobicContact CD1-CZ 4Å; Y15-F69 HydrophobicContact CD2-CE2 4.21Å; Y15-F69 HydrophobicContact CD2-CZ 4.29Å; Y15-F69 AromaticContact CE1-CE2 3.66Å; Y15-F69 HydrophobicContact CE1-CE2 3.66Å; Y15-F69 HydrophobicContact CE1-CZ 4.32Å; Y15-F69 HydrophobicContact CE2-CE2 4.06Å; Y15-F69 HydrophobicContact CG-CE2 4.11Å; Y15-F69 AromaticContact CG-CZ 4Å; Y15-F69 HydrophobicContact CG-CZ 4Å; Y15-F69 AromaticContact CZ-CE2 3.78Å; V24-F69 HydrophobicContact CB-CD2 4.25Å; V24-F69 HydrophobicContact CG1-CD2 3.8Å; V24-F69 HydrophobicContact CG1-CE2 4.02Å; V24-F69 HydrophobicContact CG1-CG 4.09Å; V24-F69 HydrophobicContact CG1-CZ 4.47Å; V24-F69 HydrophobicContact CG2-CB 4.38Å; V24-F69 HydrophobicContact CG2-CD2 4.22Å; L26-F69 HydrophobicContact CD2-CB 3.9Å; L26-F69 HydrophobicContact CD2-CG 4.42Å; D48-F69 HydrophobicContact CB-CB 3.88Å; D48-F69 WeakPolarHBondContact OD1-CA 3.07Å; I67-F69 HydrophobicContact CG2-CD1 3.45Å; I67-F69 VanDerWaalsContact CG2-CD1 3.45Å; I67-F69 HydrophobicContact CG2-CE1 3.71Å; F69-G71 PolarHBondContact O-N 3.48Å; F69-T72 WeakPolarHBondContact O-CB 3.43Å; F69-T72 PolarHBondContact O-N 2.91Å; F69-T72 PolarHBondContact O-OG1 3Å; F69-V85 HydrophobicContact CE1-CG1 4.14Å; F69-L86 PolarHBondContact N-O 2.67Å; F69-W87 HydrophobicContact CD1-CB 3.87Å; F69-W87 HydrophobicContact CD2-CB 4.02Å; F69-W87 HydrophobicContact CE1-CB 3.52Å; F69-W87 HydrophobicContact CE1-CG 4.06Å; F69-W87 HydrophobicContact CE2-CB 3.66Å; F69-W87 HydrophobicContact CE2-CG 4.16Å; F69-W87 HydrophobicContact CG-CB 4.13Å; F69-W87 HydrophobicContact CZ-CB 3.4Å; F69-W87 HydrophobicContact CZ-CD2 4.25Å; F69-W87 AromaticContact CZ-CG 3.67Å; F69-W87 HydrophobicContact CZ-CG 3.67Å; F69-W87 VanDerWaalsContact O-CA 3.31Å; F69-W87 WeakPolarHBondContact O-CA 3.05Å |
| 70 | G | 96.2 | Very high | 98.2 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 26% | 0.258 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 40.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D48 T72 G88 E89 | D48-G70 PolarHBondContact OD2-N 2.93Å; G70-T72 VanDerWaalsContact C-N 3.31Å; G70-T72 PolarHBondContact O-N 3.42Å; G70-G88 CarbonylContact O-C 3.53Å; G70-G88 WeakPolarHBondContact O-CA 3.41Å; G70-G88 PolarHBondContact O-N 2.89Å; G70-G88 VanDerWaalsContact O-N 3.16Å; G70-E89 PolarHBondContact O-N 2.85Å |
| 71 | G | 97 | Very high | 98.2 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 0.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F69 | F69-G71 PolarHBondContact O-N 3.48Š|
| 72 | T | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -56.1 | 143.9 | 171 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | V52 A68 F69 G70 I74 L86 W87 V90 | V52-T72 VanDerWaalsContact CA-O 3.32Å; V52-T72 WeakPolarHBondContact CA-O 3.48Å; V52-T72 HydrophobicContact CG1-CG2 4.34Å; A68-T72 HydrophobicContact CB-CG2 4.18Å; F69-T72 WeakPolarHBondContact O-CB 3.43Å; F69-T72 PolarHBondContact O-N 2.91Å; F69-T72 PolarHBondContact O-OG1 3Å; G70-T72 VanDerWaalsContact C-N 3.31Å; G70-T72 PolarHBondContact O-N 3.42Å; T72-I74 HydrophobicContact CG2-CD1 4.32Å; T72-I74 HydrophobicContact CG2-CG1 4.06Å; T72-L86 HydrophobicContact CG2-CB 3.87Å; T72-L86 HydrophobicContact CG2-CD2 4.29Å; T72-L86 PolarHBondContact OG1-O 3.11Å; T72-W87 VanDerWaalsContact OG1-CA 3.28Å; T72-W87 WeakPolarHBondContact OG1-CA 3.36Å; T72-W87 PolarHBondContact OG1-N 2.83Å; T72-V90 CarbonylContact C-O 3.25Å; T72-V90 WeakPolarHBondContact CA-O 3.2Å; T72-V90 HydrophobicContact CG2-CB 4.17Å | ||
| 73 | V | 98.7 | Very high | 98 | Very high | 45 Ų | 45 | 32.8 Ų | 32.8 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 122.8 | 175 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | V52 V90 Y91 A92 | V52-V73 CarbonylContact O-C 3.54Å; V73-V90 PolarHBondContact N-O 2.75Å; V73-Y91 HydrophobicContact CB-CD1 3.82Å; V73-Y91 HydrophobicContact CB-CE1 4.07Å; V73-Y91 HydrophobicContact CG2-CD1 4.09Å; V73-Y91 HydrophobicContact CG2-CE1 3.79Å; V73-Y91 WeakPolarHBondContact O-CA 3.39Å; V73-A92 PolarHBondContact O-N 2.75Å |
| 74 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.2 | 179 | -60.3 | 161.6 | 0 | 0 | 0 | 107.8 | V52 L53 A54 C59 I61 A68 T72 T78 I80 L86 A92 | V52-I74 HydrophobicContact CG1-CD1 4.3Å; V52-I74 WeakPolarHBondContact O-CB 3.39Å; V52-I74 PolarHBondContact O-N 3.25Å; L53-I74 HydrophobicContact CD1-CB 3.96Å; L53-I74 HydrophobicContact CD1-CG2 3.73Å; A54-I74 PolarHBondContact N-O 3Å; C59-I74 HydrophobicContact CB-CG2 4.08Å; I61-I74 HydrophobicContact CD1-CD1 3.81Å; I61-I74 HydrophobicContact CG1-CD1 4.04Å; A68-I74 HydrophobicContact CB-CD1 3.65Å; T72-I74 HydrophobicContact CG2-CD1 4.32Å; T72-I74 HydrophobicContact CG2-CG1 4.06Å; I74-T78 HydrophobicContact CG2-CG2 3.82Å; I74-I80 HydrophobicContact CD1-CD1 4.47Å; I74-I80 HydrophobicContact CD1-CG1 3.95Å; I74-I80 HydrophobicContact CG2-CG1 4.36Å; I74-L86 HydrophobicContact CD1-CD2 4.18Å; I74-L86 HydrophobicContact CG1-CD2 4.22Å; I74-A92 CarbonylContact C-O 3.58Å; I74-A92 WeakPolarHBondContact CA-O 3.29Å |
| 75 | S | 98.7 | Very high | 98.1 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | trans | -146.7 | -174.1 | -171.7 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | C59 N77 T78 A92 T93 | C59-S75 WeakPolarHBondContact CB-O 3.48Å; S75-N77 PolarHBondContact O-N 2.93Å; S75-T78 VanDerWaalsContact O-CB 3.32Å; S75-T78 WeakPolarHBondContact O-CB 3.32Å; S75-T78 PolarHBondContact O-N 3.45Å; S75-T78 VanDerWaalsContact O-N 3.16Å; S75-T78 PolarHBondContact O-OG1 2.65Å; S75-A92 PolarHBondContact N-O 3.28Å; S75-A92 PolarHBondContact OG-O 3.46Å; S75-T93 WeakPolarHBondContact OG-CB 3.45Å; S75-T93 PolarHBondContact OG-OG1 3.43Å | ||
| 76 | G | 98.3 | Very high | 98.2 | Very high | 25 Ų | 25 | 22.4 Ų | 22.4 | 26% | 0.258 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -131.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G57 N58 C59 | G57-G76 CarbonylContact C-O 3.59Å; G57-G76 WeakPolarHBondContact CA-O 3.44Å; N58-G76 PolarHBondContact N-O 3.48Å; C59-G76 WeakPolarHBondContact CB-O 3.19Å; C59-G76 PolarHBondContact N-O 2.9Å |
| 77 | N | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 23.1 Ų | 23.1 | 31% | 0.31 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 20.2 | 172.5 | -54.2 | -46.7 | 0 | 0 | 0 | 112.1 | N58 S75 R79 D94 N95 | N58-N77 HydrophobicContact CB-CB 4.42Å; N58-N77 WeakPolarHBondContact CB-OD1 3.36Å; N58-N77 PolarHBondContact N-OD1 3.4Å; N58-N77 PolarHBondContact ND2-OD1 3.09Å; S75-N77 PolarHBondContact O-N 2.93Å; N77-R79 PolarHBondContact O-N 3.16Å; N77-D94 CarbonylContact C-O 3.41Å; N77-D94 WeakPolarHBondContact CA-O 3.17Å; N77-D94 WeakPolarHBondContact CB-O 3.2Å; N77-D94 PolarHBondContact N-O 3.05Å; N77-N95 PolarHBondContact ND2-OD1 3.5Å |
| 78 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -58.6 | 129.5 | -178 | -60 | 0 | 0 | 0 | 0 | 111.9 | C59 W60 I74 S75 I80 A92 T93 D94 V96 | C59-T78 WeakPolarHBondContact CA-O 3.42Å; C59-T78 WeakPolarHBondContact CB-O 3.41Å; W60-T78 PolarHBondContact N-O 3.49Å; W60-T78 VanDerWaalsContact N-O 3.09Å; I74-T78 HydrophobicContact CG2-CG2 3.82Å; S75-T78 VanDerWaalsContact O-CB 3.32Å; S75-T78 WeakPolarHBondContact O-CB 3.32Å; S75-T78 PolarHBondContact O-N 3.45Å; S75-T78 VanDerWaalsContact O-N 3.16Å; S75-T78 PolarHBondContact O-OG1 2.65Å; T78-I80 HydrophobicContact CG2-CD1 3.78Å; T78-A92 HydrophobicContact CG2-CB 3.88Å; T78-A92 PolarHBondContact OG1-O 3.38Å; T78-T93 WeakPolarHBondContact OG1-CA 3.34Å; T78-T93 PolarHBondContact OG1-N 2.68Å; T78-T93 PolarHBondContact OG1-O 3.03Å; T78-T93 VanDerWaalsContact OG1-O 3.05Å; T78-D94 PolarHBondContact N-O 3.2Å; T78-D94 VanDerWaalsContact N-O 3.12Å; T78-V96 CarbonylContact C-O 3.54Å; T78-V96 VanDerWaalsContact CA-O 3.23Å; T78-V96 WeakPolarHBondContact CA-O 3.35Å; T78-V96 HydrophobicContact CG2-CB 4.02Å; T78-V96 HydrophobicContact CG2-CG1 4.07Å | ||
| 79 | R | 98.7 | Very high | 98.1 | Very high | 93 Ų | 93 | 29.1 Ų | 29.1 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124 | 178 | -58.1 | 178.1 | -66 | 165.7 | 5.5 | 109.5 | Y62 N77 V96 W97 I98 | Y62-R79 HydrophobicContact CD2-CB 4.42Å; Y62-R79 HydrophobicContact CE2-CB 4Å; Y62-R79 HydrophobicContact CE2-CG 3.92Å; N77-R79 PolarHBondContact O-N 3.16Å; R79-V96 PolarHBondContact N-O 2.87Å; R79-W97 VanDerWaalsContact NH2-CE3 3.31Å; R79-W97 WeakPolarHBondContact O-CA 3.14Å; R79-I98 PolarHBondContact O-N 2.95Å |
| 80 | I | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.2 | 170.1 | -46.9 | -58.6 | 0 | 0 | 0 | 107.9 | W60 I61 Y62 A66 I74 T78 L86 I98 | W60-I80 PolarHBondContact O-N 3.31Å; I61-I80 HydrophobicContact CB-CB 4.31Å; I61-I80 HydrophobicContact CG1-CB 4.14Å; I61-I80 HydrophobicContact CG1-CG1 4.1Å; I61-I80 HydrophobicContact CG2-CB 4.08Å; I61-I80 HydrophobicContact CG2-CG2 4.15Å; Y62-I80 PolarHBondContact N-O 2.92Å; A66-I80 HydrophobicContact CB-CG2 4.22Å; I74-I80 HydrophobicContact CD1-CD1 4.47Å; I74-I80 HydrophobicContact CD1-CG1 3.95Å; I74-I80 HydrophobicContact CG2-CG1 4.36Å; T78-I80 HydrophobicContact CG2-CD1 3.78Å; I80-L86 HydrophobicContact CD1-CD1 4.38Å; I80-L86 HydrophobicContact CD1-CD2 3.82Å; I80-L86 HydrophobicContact CG2-CD1 4.16Å; I80-I98 CarbonylContact C-O 3.54Å; I80-I98 WeakPolarHBondContact CA-O 3.2Å; I80-I98 HydrophobicContact CD1-CB 3.77Å; I80-I98 HydrophobicContact CD1-CD1 3.66Å; I80-I98 HydrophobicContact CD1-CG1 4.21Å; I80-I98 HydrophobicContact CD1-CG2 4.49Å |
| 81 | T | 98.4 | Very high | 98.2 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 17% | 0.172 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 172.5 | 179.7 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | Y62 S84 W97 I98 D99 N100 | Y62-T81 HydrophobicContact CD2-CG2 4.06Å; Y62-T81 HydrophobicContact CG-CG2 4.22Å; T81-S84 PolarHBondContact O-OG 2.86Å; T81-W97 PolarHBondContact OG1-NE1 2.93Å; T81-I98 PolarHBondContact N-O 2.74Å; T81-D99 VanDerWaalsContact CB-OD1 3.26Å; T81-D99 WeakPolarHBondContact CB-OD1 3.3Å; T81-D99 WeakPolarHBondContact O-CA 3.1Å; T81-D99 WeakPolarHBondContact OG1-CB 3.32Å; T81-D99 PolarHBondContact OG1-OD1 2.91Å; T81-N100 PolarHBondContact O-N 2.76Å |
| 82 | G | 97.7 | Very high | 98.3 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 60.6 | -172.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | D63 S84 D99 N100 | D63-G82 WeakPolarHBondContact CB-O 3.44Å; D63-G82 VanDerWaalsContact CG-O 3.31Å; G82-S84 PolarHBondContact O-N 2.82Å; G82-D99 PolarHBondContact N-OD1 2.88Å; G82-D99 VanDerWaalsContact N-OD1 3.14Å; G82-N100 WeakPolarHBondContact CA-OD1 3.49Å |
| 83 | T | 97.1 | Very high | 98.3 | Very high | 87 Ų | 87 | 32.6 Ų | 32.6 | 53% | 0.534 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -80.6 | 52 | -178.5 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | N65 N100 | N65-T83 HydrophobicContact CB-CG2 4.04Å; T83-N100 PolarHBondContact N-OD1 2.98Å |
| 84 | S | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -76.8 | 147.2 | -175.8 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | A66 I67 T81 G82 N100 S101 | A66-S84 CarbonylContact C-O 3.45Å; A66-S84 WeakPolarHBondContact CA-O 3.41Å; A66-S84 WeakPolarHBondContact CB-O 3.15Å; I67-S84 PolarHBondContact N-O 2.99Å; T81-S84 PolarHBondContact O-OG 2.86Å; G82-S84 PolarHBondContact O-N 2.82Å; S84-N100 PolarHBondContact OG-N 2.98Å; S84-S101 CarbonylContact C-O 3.59Å; S84-S101 WeakPolarHBondContact CA-O 3.15Å; S84-S101 VanDerWaalsContact CB-O 3.32Å; S84-S101 WeakPolarHBondContact CB-O 3.38Å; S84-S101 PolarHBondContact OG-N 2.69Å; S84-S101 VanDerWaalsContact OG-N 3.11Å | ||
| 85 | V | 98.3 | Very high | 98.3 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 17% | 0.17 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.4 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | I67 F69 S101 E102 I103 | I67-V85 CarbonylContact O-C 3.54Å; I67-V85 WeakPolarHBondContact O-CA 3.31Å; F69-V85 HydrophobicContact CE1-CG1 4.14Å; V85-S101 PolarHBondContact N-O 3.23Å; V85-E102 HydrophobicContact CB-CG 4.42Å; V85-E102 CarbonylContact O-C 3.56Å; V85-E102 WeakPolarHBondContact O-CA 3.48Å; V85-I103 PolarHBondContact O-N 3.37Å |
| 86 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.4 | -178.9 | -74.4 | 68.5 | 0 | 0 | 0 | 111.5 | I67 A68 F69 T72 I74 I80 V90 I98 I103 | I67-L86 PolarHBondContact O-N 3.41Å; A68-L86 CarbonylContact C-O 3.56Å; A68-L86 VanDerWaalsContact CA-O 3.23Å; A68-L86 WeakPolarHBondContact CA-O 3.38Å; A68-L86 HydrophobicContact CB-CB 4.17Å; F69-L86 PolarHBondContact N-O 2.67Å; T72-L86 HydrophobicContact CG2-CB 3.87Å; T72-L86 HydrophobicContact CG2-CD2 4.29Å; T72-L86 PolarHBondContact OG1-O 3.11Å; I74-L86 HydrophobicContact CD1-CD2 4.18Å; I74-L86 HydrophobicContact CG1-CD2 4.22Å; I80-L86 HydrophobicContact CD1-CD1 4.38Å; I80-L86 HydrophobicContact CD1-CD2 3.82Å; I80-L86 HydrophobicContact CG2-CD1 4.16Å; L86-V90 HydrophobicContact CD2-CG1 4.25Å; L86-I98 HydrophobicContact CD1-CG2 4.22Å; L86-I98 HydrophobicContact CD2-CD1 3.98Å; L86-I103 CarbonylContact C-O 3.58Å; L86-I103 VanDerWaalsContact CA-O 3.26Å; L86-I103 WeakPolarHBondContact CA-O 3.38Å; L86-I103 HydrophobicContact CG-CB 4.21Å |
| 87 | W | 98.1 | Very high | 98.4 | Very high | 15 Ų | 15 | 39 Ų | 39 | 6% | 0.057 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 158 | -176.2 | 70.2 | -82.1 | 0 | 0 | 0 | 116.4 | Y15 E17 F69 T72 V90 E102 I103 S104 Q105 | Y15-W87 HydrophobicContact CD2-CE3 4.4Å; Y15-W87 HydrophobicContact CD2-CH2 4.48Å; Y15-W87 HydrophobicContact CD2-CZ3 4.33Å; Y15-W87 HydrophobicContact CE2-CE3 4.17Å; Y15-W87 HydrophobicContact CE2-CZ3 4.08Å; E17-W87 HydrophobicContact CB-CH2 4.04Å; E17-W87 HydrophobicContact CB-CZ3 4.23Å; E17-W87 HydrophobicContact CG-CH2 3.93Å; E17-W87 HydrophobicContact CG-CZ3 3.95Å; F69-W87 HydrophobicContact CD1-CB 3.87Å; F69-W87 HydrophobicContact CD2-CB 4.02Å; F69-W87 HydrophobicContact CE1-CB 3.52Å; F69-W87 HydrophobicContact CE1-CG 4.06Å; F69-W87 HydrophobicContact CE2-CB 3.66Å; F69-W87 HydrophobicContact CE2-CG 4.16Å; F69-W87 HydrophobicContact CG-CB 4.13Å; F69-W87 HydrophobicContact CZ-CB 3.4Å; F69-W87 HydrophobicContact CZ-CD2 4.25Å; F69-W87 AromaticContact CZ-CG 3.67Å; F69-W87 HydrophobicContact CZ-CG 3.67Å; F69-W87 VanDerWaalsContact O-CA 3.31Å; F69-W87 WeakPolarHBondContact O-CA 3.05Å; T72-W87 VanDerWaalsContact OG1-CA 3.28Å; T72-W87 WeakPolarHBondContact OG1-CA 3.36Å; T72-W87 PolarHBondContact OG1-N 2.83Å; W87-V90 WeakPolarHBondContact O-CG2 3.33Å; W87-E102 PolarHBondContact NE1-OE1 3.34Å; W87-I103 PolarHBondContact N-O 2.89Å; W87-S104 VanDerWaalsContact CE2-CB 3.49Å; W87-S104 CarbonylContact O-C 3.55Å; W87-S104 WeakPolarHBondContact O-CA 3.13Å; W87-S104 WeakPolarHBondContact O-CB 3.2Å; W87-Q105 HydrophobicContact CH2-CG 4.38Å; W87-Q105 PolarHBondContact O-N 2.98Å; W87-Q105 VanDerWaalsContact O-N 3.07Å |
| 88 | G | 96.3 | Very high | 98.4 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 75.9 | 66.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G70 V90 Q105 G106 | G70-G88 CarbonylContact O-C 3.53Å; G70-G88 WeakPolarHBondContact O-CA 3.41Å; G70-G88 PolarHBondContact O-N 2.89Å; G70-G88 VanDerWaalsContact O-N 3.16Å; G88-V90 VanDerWaalsContact C-N 3.31Å; G88-V90 PolarHBondContact O-N 3.23Å; G88-Q105 CarbonylContact O-C 3.43Å; G88-Q105 VanDerWaalsContact O-CA 3.27Å; G88-Q105 WeakPolarHBondContact O-CA 3.23Å; G88-Q105 PolarHBondContact O-N 3.47Å; G88-G106 PolarHBondContact O-N 2.57Å |
| 89 | E | 97.6 | Very high | 98.4 | Very high | 118 Ų | 118 | 37.3 Ų | 37.3 | 55% | 0.551 | 19% | 0.188 | S | C | * | . | S | Bend | trans | 57.5 | 35.3 | 175.4 | -54.1 | -172.3 | -179.6 | 0 | 0 | 114.8 | G70 Y91 G106 | G70-E89 PolarHBondContact O-N 2.85Å; E89-Y91 HydrophobicContact CB-CE2 4.27Å; E89-Y91 WeakPolarHBondContact O-CD2 3.32Å; E89-Y91 WeakPolarHBondContact O-CE2 3.21Å; E89-G106 WeakPolarHBondContact O-CA 3.4Å |
| 90 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -74.5 | 134.6 | 172.7 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | T72 V73 L86 W87 G88 I103 A107 | T72-V90 CarbonylContact C-O 3.25Å; T72-V90 WeakPolarHBondContact CA-O 3.2Å; T72-V90 HydrophobicContact CG2-CB 4.17Å; V73-V90 PolarHBondContact N-O 2.75Å; L86-V90 HydrophobicContact CD2-CG1 4.25Å; W87-V90 WeakPolarHBondContact O-CG2 3.33Å; G88-V90 VanDerWaalsContact C-N 3.31Å; G88-V90 PolarHBondContact O-N 3.23Å; V90-I103 HydrophobicContact CB-CG2 4.45Å; V90-I103 HydrophobicContact CG1-CB 4.41Å; V90-I103 HydrophobicContact CG1-CG2 3.66Å; V90-I103 HydrophobicContact CG2-CG2 3.86Å; V90-A107 WeakPolarHBondContact CA-O 3.26Å; V90-A107 HydrophobicContact CG2-CB 4.47Å | ||
| 91 | Y | 98.8 | Very high | 98.4 | Very high | 99 Ų | 99 | 36.1 Ų | 36.1 | 39% | 0.388 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.8 | 175.6 | -65.1 | -91.9 | 0 | 0 | 0 | 109.4 | V73 E89 A107 Y108 I109 | V73-Y91 HydrophobicContact CB-CD1 3.82Å; V73-Y91 HydrophobicContact CB-CE1 4.07Å; V73-Y91 HydrophobicContact CG2-CD1 4.09Å; V73-Y91 HydrophobicContact CG2-CE1 3.79Å; V73-Y91 WeakPolarHBondContact O-CA 3.39Å; E89-Y91 HydrophobicContact CB-CE2 4.27Å; E89-Y91 WeakPolarHBondContact O-CD2 3.32Å; E89-Y91 WeakPolarHBondContact O-CE2 3.21Å; Y91-A107 PolarHBondContact N-O 3.2Å; Y91-Y108 HydrophobicContact CD2-CD2 4.44Å; Y91-Y108 HydrophobicContact CG-CD2 4.16Å; Y91-Y108 CarbonylContact O-C 3.59Å; Y91-I109 PolarHBondContact O-N 3.03Å |
| 92 | A | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V73 I74 S75 T78 V96 I98 I109 | V73-A92 PolarHBondContact O-N 2.75Å; I74-A92 CarbonylContact C-O 3.58Å; I74-A92 WeakPolarHBondContact CA-O 3.29Å; S75-A92 PolarHBondContact N-O 3.28Å; S75-A92 PolarHBondContact OG-O 3.46Å; T78-A92 HydrophobicContact CG2-CB 3.88Å; T78-A92 PolarHBondContact OG1-O 3.38Å; A92-V96 HydrophobicContact CB-CG1 4.49Å; A92-I98 HydrophobicContact CB-CD1 4.08Å; A92-I109 VanDerWaalsContact CA-O 3.3Å; A92-I109 WeakPolarHBondContact CA-O 3.42Å |
| 93 | T | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 17% | 0.172 | 19% | 0.193 | C | C | . | . | trans | -143.3 | -172.3 | -175.6 | -162.7 | 0 | 0 | 0 | 0 | 113.3 | S75 T78 N95 V96 I109 | S75-T93 WeakPolarHBondContact OG-CB 3.45Å; S75-T93 PolarHBondContact OG-OG1 3.43Å; T78-T93 WeakPolarHBondContact OG1-CA 3.34Å; T78-T93 PolarHBondContact OG1-N 2.68Å; T78-T93 PolarHBondContact OG1-O 3.03Å; T78-T93 VanDerWaalsContact OG1-O 3.05Å; T93-N95 PolarHBondContact O-N 3.06Å; T93-V96 WeakPolarHBondContact O-CB 3.38Å; T93-V96 WeakPolarHBondContact O-CG2 3.5Å; T93-V96 PolarHBondContact O-N 2.83Å; T93-I109 PolarHBondContact N-O 3.3Å | ||
| 94 | D | 98.8 | Very high | 98.5 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -127.7 | 179.5 | -54.2 | -45.6 | 0 | 0 | 0 | 113.2 | N77 T78 S110 D111 | N77-D94 CarbonylContact C-O 3.41Å; N77-D94 WeakPolarHBondContact CA-O 3.17Å; N77-D94 WeakPolarHBondContact CB-O 3.2Å; N77-D94 PolarHBondContact N-O 3.05Å; T78-D94 PolarHBondContact N-O 3.2Å; T78-D94 VanDerWaalsContact N-O 3.12Å; D94-S110 WeakPolarHBondContact OD2-CB 3.48Å; D94-D111 WeakPolarHBondContact CB-O 3.25Å; D94-D111 PolarHBondContact OD2-N 2.93Å |
| 95 | N | 98.6 | Very high | 98.3 | Very high | 83 Ų | 83 | 38 Ų | 38 | 44% | 0.444 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 28.7 | -177.2 | -55 | -59.3 | 0 | 0 | 0 | 112.6 | N77 T93 D111 | N77-N95 PolarHBondContact ND2-OD1 3.5Å; T93-N95 PolarHBondContact O-N 3.06Å; N95-D111 CarbonylContact C-O 3.55Å; N95-D111 VanDerWaalsContact CA-O 3.3Å; N95-D111 WeakPolarHBondContact CA-O 3.26Å; N95-D111 WeakPolarHBondContact CB-O 3.35Å; N95-D111 PolarHBondContact N-O 2.95Å |
| 96 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -61.9 | 140.2 | 179.2 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | T78 R79 A92 T93 I98 I109 V113 | T78-V96 CarbonylContact C-O 3.54Å; T78-V96 VanDerWaalsContact CA-O 3.23Å; T78-V96 WeakPolarHBondContact CA-O 3.35Å; T78-V96 HydrophobicContact CG2-CB 4.02Å; T78-V96 HydrophobicContact CG2-CG1 4.07Å; R79-V96 PolarHBondContact N-O 2.87Å; A92-V96 HydrophobicContact CB-CG1 4.49Å; T93-V96 WeakPolarHBondContact O-CB 3.38Å; T93-V96 WeakPolarHBondContact O-CG2 3.5Å; T93-V96 PolarHBondContact O-N 2.83Å; V96-I98 HydrophobicContact CG1-CD1 3.79Å; V96-I98 HydrophobicContact CG1-CG1 3.76Å; V96-I109 HydrophobicContact CB-CG2 4.41Å; V96-I109 HydrophobicContact CG1-CB 4.5Å; V96-I109 HydrophobicContact CG1-CG2 3.74Å; V96-I109 HydrophobicContact CG2-CB 4.44Å; V96-I109 HydrophobicContact CG2-CG2 3.7Å; V96-V113 CarbonylContact C-O 3.16Å; V96-V113 WeakPolarHBondContact CA-O 3.38Å; V96-V113 HydrophobicContact CG2-CB 4.28Å | ||
| 97 | W | 98.9 | Very high | 98.3 | Very high | 87 Ų | 87 | 37.6 Ų | 37.6 | 33% | 0.33 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.2 | 170.8 | -176.3 | 13.9 | 0 | 0 | 0 | 110.3 | R79 T81 V113 T114 I115 | R79-W97 VanDerWaalsContact NH2-CE3 3.31Å; R79-W97 WeakPolarHBondContact O-CA 3.14Å; T81-W97 PolarHBondContact OG1-NE1 2.93Å; W97-V113 PolarHBondContact N-O 2.78Å; W97-T114 HydrophobicContact CE3-CG2 4.16Å; W97-T114 CarbonylContact O-C 3.59Å; W97-T114 WeakPolarHBondContact O-CA 3.37Å; W97-I115 PolarHBondContact O-N 2.88Å |
| 98 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.8 | 177.1 | -63.2 | 157.8 | 0 | 0 | 0 | 108.1 | R79 I80 T81 L86 A92 V96 I103 I109 I115 | R79-I98 PolarHBondContact O-N 2.95Å; I80-I98 CarbonylContact C-O 3.54Å; I80-I98 WeakPolarHBondContact CA-O 3.2Å; I80-I98 HydrophobicContact CD1-CB 3.77Å; I80-I98 HydrophobicContact CD1-CD1 3.66Å; I80-I98 HydrophobicContact CD1-CG1 4.21Å; I80-I98 HydrophobicContact CD1-CG2 4.49Å; T81-I98 PolarHBondContact N-O 2.74Å; L86-I98 HydrophobicContact CD1-CG2 4.22Å; L86-I98 HydrophobicContact CD2-CD1 3.98Å; A92-I98 HydrophobicContact CB-CD1 4.08Å; V96-I98 HydrophobicContact CG1-CD1 3.79Å; V96-I98 HydrophobicContact CG1-CG1 3.76Å; I98-I103 HydrophobicContact CB-CD1 4.48Å; I98-I103 HydrophobicContact CD1-CD1 3.6Å; I98-I103 HydrophobicContact CG1-CD1 3.81Å; I98-I103 HydrophobicContact CG2-CD1 3.8Å; I98-I103 HydrophobicContact CG2-CG1 4.41Å; I98-I109 HydrophobicContact CD1-CD1 4.18Å; I98-I115 CarbonylContact C-O 3.56Å; I98-I115 WeakPolarHBondContact CA-O 3.3Å; I98-I115 HydrophobicContact CG1-CB 4.39Å |
| 99 | D | 98.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.128 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.6 | -176.3 | -169.4 | 44.7 | 0 | 0 | 0 | 111 | T81 G82 S101 I115 H116 D117 | T81-D99 VanDerWaalsContact CB-OD1 3.26Å; T81-D99 WeakPolarHBondContact CB-OD1 3.3Å; T81-D99 WeakPolarHBondContact O-CA 3.1Å; T81-D99 WeakPolarHBondContact OG1-CB 3.32Å; T81-D99 PolarHBondContact OG1-OD1 2.91Å; G82-D99 PolarHBondContact N-OD1 2.88Å; G82-D99 VanDerWaalsContact N-OD1 3.14Å; D99-S101 PolarHBondContact O-N 3.02Å; D99-S101 PolarHBondContact O-OG 3.43Å; D99-I115 PolarHBondContact N-O 2.99Å; D99-H116 CarbonylContact O-C 3.38Å; D99-H116 VanDerWaalsContact O-CA 3.29Å; D99-H116 WeakPolarHBondContact O-CA 3.43Å; D99-H116 IonicContact OD2-CE1 3.75Å; D99-H116 PolarHBondContact OD2-CE1 2.8Å; D99-H116 IonicContact OD2-ND1 2.68Å; D99-H116 PolarHBondContact OD2-ND1 3.36Å; D99-D117 PolarHBondContact O-N 2.88Å |
| 100 | N | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 36 Ų | 36 | 36% | 0.358 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 42.8 | 38.7 | -178.7 | -80.7 | -8.8 | 0 | 0 | 0 | 114.9 | T81 G82 T83 S84 D117 | T81-N100 PolarHBondContact O-N 2.76Å; G82-N100 WeakPolarHBondContact CA-OD1 3.49Å; T83-N100 PolarHBondContact N-OD1 2.98Å; S84-N100 PolarHBondContact OG-N 2.98Å; N100-D117 WeakPolarHBondContact CB-OD1 3.07Å; N100-D117 PolarHBondContact ND2-OD1 2.84Å; N100-D117 WeakPolarHBondContact O-CA 3.32Å |
| 101 | S | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -125.2 | 149.6 | -171.1 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | S84 V85 D99 D117 S118 | S84-S101 CarbonylContact C-O 3.59Å; S84-S101 WeakPolarHBondContact CA-O 3.15Å; S84-S101 VanDerWaalsContact CB-O 3.32Å; S84-S101 WeakPolarHBondContact CB-O 3.38Å; S84-S101 PolarHBondContact OG-N 2.69Å; S84-S101 VanDerWaalsContact OG-N 3.11Å; V85-S101 PolarHBondContact N-O 3.23Å; D99-S101 PolarHBondContact O-N 3.02Å; D99-S101 PolarHBondContact O-OG 3.43Å; S101-D117 PolarHBondContact OG-N 2.71Å; S101-S118 WeakPolarHBondContact CA-O 3.37Å; S101-S118 WeakPolarHBondContact CB-O 3.34Å; S101-S118 PolarHBondContact OG-N 3.14Å; S101-S118 VanDerWaalsContact OG-N 3.08Å; S101-S118 PolarHBondContact OG-O 2.99Å | ||
| 102 | E | 98.4 | Very high | 98.5 | Very high | 85 Ų | 85 | 36.4 Ų | 36.4 | 40% | 0.397 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.5 | 172 | -179 | 173.1 | 172.9 | 0 | 0 | 109.5 | V85 W87 S118 L119 V120 | V85-E102 HydrophobicContact CB-CG 4.42Å; V85-E102 CarbonylContact O-C 3.56Å; V85-E102 WeakPolarHBondContact O-CA 3.48Å; W87-E102 PolarHBondContact NE1-OE1 3.34Å; E102-S118 PolarHBondContact N-O 2.86Å; E102-L119 HydrophobicContact CB-CD1 3.78Å; E102-L119 HydrophobicContact CG-CD1 3.9Å; E102-L119 CarbonylContact O-C 3.6Å; E102-L119 WeakPolarHBondContact O-CA 3.26Å; E102-V120 PolarHBondContact O-N 3.31Å |
| 103 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.1 | -178.5 | -50.9 | -169.2 | 0 | 0 | 0 | 108.8 | V85 L86 W87 V90 I98 A107 I109 I115 V120 | V85-I103 PolarHBondContact O-N 3.37Å; L86-I103 CarbonylContact C-O 3.58Å; L86-I103 VanDerWaalsContact CA-O 3.26Å; L86-I103 WeakPolarHBondContact CA-O 3.38Å; L86-I103 HydrophobicContact CG-CB 4.21Å; W87-I103 PolarHBondContact N-O 2.89Å; V90-I103 HydrophobicContact CB-CG2 4.45Å; V90-I103 HydrophobicContact CG1-CB 4.41Å; V90-I103 HydrophobicContact CG1-CG2 3.66Å; V90-I103 HydrophobicContact CG2-CG2 3.86Å; I98-I103 HydrophobicContact CB-CD1 4.48Å; I98-I103 HydrophobicContact CD1-CD1 3.6Å; I98-I103 HydrophobicContact CG1-CD1 3.81Å; I98-I103 HydrophobicContact CG2-CD1 3.8Å; I98-I103 HydrophobicContact CG2-CG1 4.41Å; I103-A107 HydrophobicContact CG2-CB 3.69Å; I103-I109 HydrophobicContact CD1-CD1 3.43Å; I103-I109 VanDerWaalsContact CD1-CD1 3.43Å; I103-I109 HydrophobicContact CG2-CD1 3.82Å; I103-I115 HydrophobicContact CD1-CD1 3.77Å; I103-I115 HydrophobicContact CD1-CG2 4.49Å; I103-V120 CarbonylContact C-O 3.14Å; I103-V120 WeakPolarHBondContact CA-O 3.04Å; I103-V120 HydrophobicContact CB-CB 4.43Å; I103-V120 HydrophobicContact CG1-CB 4.19Å; I103-V120 HydrophobicContact CG2-CB 4.06Å; I103-V120 HydrophobicContact CG2-CG1 4.24Å |
| 104 | S | 97.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 169.4 | -175.8 | 67.2 | 0 | 0 | 0 | 0 | 116.3 | W87 G106 V120 C121 G122 | W87-S104 VanDerWaalsContact CE2-CB 3.49Å; W87-S104 CarbonylContact O-C 3.55Å; W87-S104 WeakPolarHBondContact O-CA 3.13Å; W87-S104 WeakPolarHBondContact O-CB 3.2Å; S104-G106 PolarHBondContact O-N 3.06Å; S104-V120 PolarHBondContact N-O 3.43Å; S104-C121 PolarHBondContact OG-SG 3.12Å; S104-G122 PolarHBondContact O-N 2.8Å |
| 105 | Q | 95.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 34 Ų | 34 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 60.5 | 47.6 | 166.2 | -56.6 | -178.7 | -16.9 | 0 | 0 | 114.9 | W87 G88 C121 G122 Q123 | W87-Q105 HydrophobicContact CH2-CG 4.38Å; W87-Q105 PolarHBondContact O-N 2.98Å; W87-Q105 VanDerWaalsContact O-N 3.07Å; G88-Q105 CarbonylContact O-C 3.43Å; G88-Q105 VanDerWaalsContact O-CA 3.27Å; G88-Q105 WeakPolarHBondContact O-CA 3.23Å; G88-Q105 PolarHBondContact O-N 3.47Å; Q105-C121 VanDerWaalsContact CD-SG 3.54Å; Q105-C121 PolarHBondContact OE1-SG 3.34Å; Q105-G122 CarbonylContact O-C 3.56Å; Q105-G122 WeakPolarHBondContact O-CA 3.45Å; Q105-Q123 PolarHBondContact O-N 2.86Å |
| 106 | G | 96.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 92.2 | 15.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G88 E89 S104 Y108 | G88-G106 PolarHBondContact O-N 2.57Å; E89-G106 WeakPolarHBondContact O-CA 3.4Å; S104-G106 PolarHBondContact O-N 3.06Å; G106-Y108 PolarHBondContact O-N 2.88Å |
| 107 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -62.5 | 132.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V90 Y91 I103 V120 | V90-A107 WeakPolarHBondContact CA-O 3.26Å; V90-A107 HydrophobicContact CG2-CB 4.47Å; Y91-A107 PolarHBondContact N-O 3.2Å; I103-A107 HydrophobicContact CG2-CB 3.69Å; A107-V120 HydrophobicContact CB-CG1 3.91Å | ||
| 108 | Y | 98.9 | Very high | 98.5 | Very high | 104 Ų | 104 | 31.6 Ų | 31.6 | 41% | 0.408 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.5 | 175.3 | -171.3 | -78.2 | 0 | 0 | 0 | 110.1 | Y91 G106 C124 R125 I126 | Y91-Y108 HydrophobicContact CD2-CD2 4.44Å; Y91-Y108 HydrophobicContact CG-CD2 4.16Å; Y91-Y108 CarbonylContact O-C 3.59Å; G106-Y108 PolarHBondContact O-N 2.88Å; Y108-C124 PolarHBondContact N-O 2.84Å; Y108-R125 CarbonylContact O-C 3.54Å; Y108-R125 WeakPolarHBondContact O-CA 3.36Å; Y108-I126 PolarHBondContact O-N 3.48Å |
| 109 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.4 | -171.6 | -47.2 | 167 | 0 | 0 | 0 | 109.4 | Y91 A92 T93 V96 I98 I103 V113 I115 I126 | Y91-I109 PolarHBondContact O-N 3.03Å; A92-I109 VanDerWaalsContact CA-O 3.3Å; A92-I109 WeakPolarHBondContact CA-O 3.42Å; T93-I109 PolarHBondContact N-O 3.3Å; V96-I109 HydrophobicContact CB-CG2 4.41Å; V96-I109 HydrophobicContact CG1-CB 4.5Å; V96-I109 HydrophobicContact CG1-CG2 3.74Å; V96-I109 HydrophobicContact CG2-CB 4.44Å; V96-I109 HydrophobicContact CG2-CG2 3.7Å; I98-I109 HydrophobicContact CD1-CD1 4.18Å; I103-I109 HydrophobicContact CD1-CD1 3.43Å; I103-I109 VanDerWaalsContact CD1-CD1 3.43Å; I103-I109 HydrophobicContact CG2-CD1 3.82Å; I109-V113 HydrophobicContact CG2-CB 3.91Å; I109-V113 HydrophobicContact CG2-CG1 3.75Å; I109-V113 HydrophobicContact CG2-CG2 4.42Å; I109-I115 HydrophobicContact CD1-CD1 3.73Å; I109-I115 HydrophobicContact CG1-CD1 4.47Å; I109-I115 HydrophobicContact CG2-CD1 4.28Å; I109-I126 VanDerWaalsContact CA-O 3.24Å; I109-I126 WeakPolarHBondContact CA-O 3.17Å; I109-I126 HydrophobicContact CG1-CB 4.43Å; I109-I126 HydrophobicContact CG2-CB 4.36Å |
| 110 | S | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | trans | -143.7 | -176.4 | -173.6 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | D94 S112 V113 I126 F127 | D94-S110 WeakPolarHBondContact OD2-CB 3.48Å; S110-S112 PolarHBondContact O-N 2.88Å; S110-V113 VanDerWaalsContact O-CG2 3.32Å; S110-V113 WeakPolarHBondContact O-CG2 3.24Å; S110-I126 PolarHBondContact N-O 3.37Å; S110-F127 WeakPolarHBondContact OG-CB 3.22Å | ||
| 111 | D | 98.8 | Very high | 98.4 | Very high | 67 Ų | 67 | 30.9 Ų | 30.9 | 36% | 0.358 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -111.7 | -178.7 | -56.1 | -40.4 | 0 | 0 | 0 | 114.5 | D94 N95 F127 G128 | D94-D111 WeakPolarHBondContact CB-O 3.25Å; D94-D111 PolarHBondContact OD2-N 2.93Å; N95-D111 CarbonylContact C-O 3.55Å; N95-D111 VanDerWaalsContact CA-O 3.3Å; N95-D111 WeakPolarHBondContact CA-O 3.26Å; N95-D111 WeakPolarHBondContact CB-O 3.35Å; N95-D111 PolarHBondContact N-O 2.95Å; D111-F127 WeakPolarHBondContact OD2-CB 3.18Å; D111-G128 WeakPolarHBondContact CB-O 3.42Å; D111-G128 WeakPolarHBondContact OD2-CA 3.38Å; D111-G128 PolarHBondContact OD2-N 3.4Å |
| 112 | S | 98.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 31.1 Ų | 31.1 | 28% | 0.28 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | 36.5 | -174.7 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | S110 G128 | S110-S112 PolarHBondContact O-N 2.88Å; S112-G128 CarbonylContact C-O 3.57Å; S112-G128 WeakPolarHBondContact CA-O 3.24Å; S112-G128 PolarHBondContact N-O 3.41Å |
| 113 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -68.9 | 141.4 | 179.1 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | V96 W97 I109 S110 I115 I126 F127 A130 | V96-V113 CarbonylContact C-O 3.16Å; V96-V113 WeakPolarHBondContact CA-O 3.38Å; V96-V113 HydrophobicContact CG2-CB 4.28Å; W97-V113 PolarHBondContact N-O 2.78Å; I109-V113 HydrophobicContact CG2-CB 3.91Å; I109-V113 HydrophobicContact CG2-CG1 3.75Å; I109-V113 HydrophobicContact CG2-CG2 4.42Å; S110-V113 VanDerWaalsContact O-CG2 3.32Å; S110-V113 WeakPolarHBondContact O-CG2 3.24Å; V113-I115 HydrophobicContact CG1-CD1 4.15Å; V113-I115 HydrophobicContact CG1-CG1 3.76Å; V113-I126 HydrophobicContact CB-CG2 4.4Å; V113-I126 HydrophobicContact CG1-CG2 3.58Å; V113-I126 HydrophobicContact CG2-CG2 3.93Å; V113-F127 VanDerWaalsContact CG2-CA 3.5Å; V113-F127 WeakPolarHBondContact CG2-O 3.1Å; V113-A130 WeakPolarHBondContact CA-O 3.46Å; V113-A130 HydrophobicContact CG2-CB 4.16Å | ||
| 114 | T | 98.9 | Very high | 98.3 | Very high | 40 Ų | 40 | 32.1 Ų | 32.1 | 25% | 0.245 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.3 | 170.3 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | W97 A130 L131 I132 | W97-T114 HydrophobicContact CE3-CG2 4.16Å; W97-T114 CarbonylContact O-C 3.59Å; W97-T114 WeakPolarHBondContact O-CA 3.37Å; T114-A130 PolarHBondContact N-O 3.43Å; T114-L131 HydrophobicContact CG2-CD1 3.83Å; T114-L131 WeakPolarHBondContact O-CA 3.38Å; T114-I132 PolarHBondContact O-N 2.87Å |
| 115 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.1 | 175.7 | -52.9 | -178.8 | 0 | 0 | 0 | 107.9 | W97 I98 D99 I103 I109 V113 V120 I126 I132 | W97-I115 PolarHBondContact O-N 2.88Å; I98-I115 CarbonylContact C-O 3.56Å; I98-I115 WeakPolarHBondContact CA-O 3.3Å; I98-I115 HydrophobicContact CG1-CB 4.39Å; D99-I115 PolarHBondContact N-O 2.99Å; I103-I115 HydrophobicContact CD1-CD1 3.77Å; I103-I115 HydrophobicContact CD1-CG2 4.49Å; I109-I115 HydrophobicContact CD1-CD1 3.73Å; I109-I115 HydrophobicContact CG1-CD1 4.47Å; I109-I115 HydrophobicContact CG2-CD1 4.28Å; V113-I115 HydrophobicContact CG1-CD1 4.15Å; V113-I115 HydrophobicContact CG1-CG1 3.76Å; I115-V120 HydrophobicContact CD1-CG2 4.16Å; I115-V120 HydrophobicContact CG2-CG2 4.39Å; I115-I126 HydrophobicContact CD1-CD1 4.19Å; I115-I132 CarbonylContact C-O 3.05Å; I115-I132 WeakPolarHBondContact CA-O 3.33Å; I115-I132 HydrophobicContact CD1-CD1 4.45Å; I115-I132 HydrophobicContact CG1-CB 4.37Å; I115-I132 HydrophobicContact CG1-CD1 4.39Å; I115-I132 HydrophobicContact CG2-CB 4.41Å |
| 116 | H | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 34 Ų | 34 | 30% | 0.296 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.8 | -174.3 | -176.4 | 98 | 0 | 0 | 0 | 110.9 | D99 S118 I132 N133 | D99-H116 CarbonylContact O-C 3.38Å; D99-H116 VanDerWaalsContact O-CA 3.29Å; D99-H116 WeakPolarHBondContact O-CA 3.43Å; D99-H116 IonicContact OD2-CE1 3.75Å; D99-H116 PolarHBondContact OD2-CE1 2.8Å; D99-H116 IonicContact OD2-ND1 2.68Å; D99-H116 PolarHBondContact OD2-ND1 3.36Å; H116-S118 VanDerWaalsContact C-N 3.28Å; H116-S118 PolarHBondContact O-N 3.3Å; H116-S118 PolarHBondContact O-OG 2.54Å; H116-I132 PolarHBondContact N-O 3.11Å; H116-N133 HydrophobicContact CB-CB 4.25Å; H116-N133 VanDerWaalsContact O-CA 3.22Å; H116-N133 WeakPolarHBondContact O-CA 3.36Å |
| 117 | D | 98.6 | Very high | 98.6 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 25% | 0.246 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 44.7 | 50.3 | -179.7 | -65.2 | -34.4 | 0 | 0 | 0 | 112.3 | D99 N100 S101 H135 | D99-D117 PolarHBondContact O-N 2.88Å; N100-D117 WeakPolarHBondContact CB-OD1 3.07Å; N100-D117 PolarHBondContact ND2-OD1 2.84Å; N100-D117 WeakPolarHBondContact O-CA 3.32Å; S101-D117 PolarHBondContact OG-N 2.71Å; D117-H135 WeakPolarHBondContact O-CA 3.04Å; D117-H135 PolarHBondContact O-N 2.74Å |
| 118 | S | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | trans | -141.2 | 162.9 | -172.3 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | S101 E102 H116 N133 S136 | S101-S118 WeakPolarHBondContact CA-O 3.37Å; S101-S118 WeakPolarHBondContact CB-O 3.34Å; S101-S118 PolarHBondContact OG-N 3.14Å; S101-S118 VanDerWaalsContact OG-N 3.08Å; S101-S118 PolarHBondContact OG-O 2.99Å; E102-S118 PolarHBondContact N-O 2.86Å; H116-S118 VanDerWaalsContact C-N 3.28Å; H116-S118 PolarHBondContact O-N 3.3Å; H116-S118 PolarHBondContact O-OG 2.54Å; S118-N133 WeakPolarHBondContact OG-CA 3.42Å; S118-S136 WeakPolarHBondContact CA-O 3.29Å; S118-S136 WeakPolarHBondContact CB-O 3.32Å; S118-S136 PolarHBondContact OG-N 2.76Å | ||
| 119 | L | 98.7 | Very high | 98.6 | Very high | 52 Ų | 52 | 36.9 Ų | 36.9 | 27% | 0.272 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.5 | 174.6 | 179.5 | 73 | 0 | 0 | 0 | 109.6 | E102 S136 M137 I138 | E102-L119 HydrophobicContact CB-CD1 3.78Å; E102-L119 HydrophobicContact CG-CD1 3.9Å; E102-L119 CarbonylContact O-C 3.6Å; E102-L119 WeakPolarHBondContact O-CA 3.26Å; L119-S136 PolarHBondContact N-O 3.03Å; L119-M137 HydrophobicContact CB-CG 4.24Å; L119-M137 HydrophobicContact CD2-CG 4.4Å; L119-M137 HydrophobicContact CD2-SD 4.44Å; L119-M137 WeakPolarHBondContact O-CA 3.4Å; L119-I138 PolarHBondContact O-N 2.85Å |
| 120 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.7 | 171 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | E102 I103 S104 A107 I115 I126 I138 | E102-V120 PolarHBondContact O-N 3.31Å; I103-V120 CarbonylContact C-O 3.14Å; I103-V120 WeakPolarHBondContact CA-O 3.04Å; I103-V120 HydrophobicContact CB-CB 4.43Å; I103-V120 HydrophobicContact CG1-CB 4.19Å; I103-V120 HydrophobicContact CG2-CB 4.06Å; I103-V120 HydrophobicContact CG2-CG1 4.24Å; S104-V120 PolarHBondContact N-O 3.43Å; A107-V120 HydrophobicContact CB-CG1 3.91Å; I115-V120 HydrophobicContact CD1-CG2 4.16Å; I115-V120 HydrophobicContact CG2-CG2 4.39Å; V120-I126 HydrophobicContact CG1-CD1 3.78Å; V120-I126 HydrophobicContact CG2-CD1 4.08Å; V120-I138 CarbonylContact C-O 3.51Å; V120-I138 WeakPolarHBondContact CA-O 3.15Å; V120-I138 HydrophobicContact CB-CB 4.4Å; V120-I138 HydrophobicContact CG1-CB 4.25Å; V120-I138 HydrophobicContact CG2-CB 4.07Å; V120-I138 HydrophobicContact CG2-CG1 3.99Å |
| 121 | C | 97.5 | Very high | 98.6 | Very high | 24 Ų | 24 | 38.8 Ų | 38.8 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 134.7 | -173.7 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | S104 Q105 I138 V139 A140 | S104-C121 PolarHBondContact OG-SG 3.12Å; Q105-C121 VanDerWaalsContact CD-SG 3.54Å; Q105-C121 PolarHBondContact OE1-SG 3.34Å; C121-I138 PolarHBondContact N-O 2.81Å; C121-V139 CarbonylContact O-C 3.57Å; C121-V139 WeakPolarHBondContact O-CA 3.1Å; C121-A140 PolarHBondContact O-N 3.21Å |
| 122 | G | 97.1 | Very high | 98.6 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.1 | 171.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S104 Q105 C124 | S104-G122 PolarHBondContact O-N 2.8Å; Q105-G122 CarbonylContact O-C 3.56Å; Q105-G122 WeakPolarHBondContact O-CA 3.45Å; G122-C124 PolarHBondContact O-N 2.82Å; G122-C124 PolarHBondContact O-SG 3.03Å |
| 123 | Q | 97.2 | Very high | 98.6 | Very high | 104 Ų | 104 | 35.1 Ų | 35.1 | 49% | 0.486 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -70.4 | 99.5 | -176.1 | -66.2 | -174.8 | -16.7 | 0 | 0 | 110.9 | Q105 A140 L151 | Q105-Q123 PolarHBondContact O-N 2.86Å; Q123-A140 WeakPolarHBondContact O-CB 3.33Å; Q123-L151 HydrophobicContact CB-CD2 4.01Å; Q123-L151 WeakPolarHBondContact O-CD2 3.31Å |
| 124 | C | 98.4 | Very high | 98.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 166.1 | 177.5 | 58 | 0 | 0 | 0 | 0 | 111.6 | Y108 G122 A140 L152 | Y108-C124 PolarHBondContact N-O 2.84Å; G122-C124 PolarHBondContact O-N 2.82Å; G122-C124 PolarHBondContact O-SG 3.03Å; C124-A140 HydrophobicContact CB-CB 3.76Å; C124-L152 WeakPolarHBondContact CA-O 3.32Å; C124-L152 HydrophobicContact CB-CB 3.98Å; C124-L152 HydrophobicContact CB-CD2 4.05Å; C124-L152 WeakPolarHBondContact CB-O 3.43Å |
| 125 | R | 98.8 | Very high | 98.5 | Very high | 122 Ų | 122 | 44.4 Ų | 44.4 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.3 | 171.5 | -61.3 | -179.5 | 176.2 | 154.4 | 0 | 110.3 | Y108 F127 L151 L152 Q153 I154 | Y108-R125 CarbonylContact O-C 3.54Å; Y108-R125 WeakPolarHBondContact O-CA 3.36Å; R125-F127 HydrophobicContact CB-CD1 4.04Å; R125-F127 HydrophobicContact CB-CE1 4.2Å; R125-L151 HydrophobicContact CG-CD1 4.35Å; R125-L152 PolarHBondContact N-O 3.35Å; R125-Q153 HydrophobicContact CB-CG 4.23Å; R125-Q153 VanDerWaalsContact O-CA 3.26Å; R125-Q153 WeakPolarHBondContact O-CA 3.42Å; R125-I154 PolarHBondContact O-N 2.87Å |
| 126 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 114.8 | 177 | -51 | 170.8 | 0 | 0 | 0 | 107.4 | Y108 I109 S110 V113 I115 V120 A130 I132 I154 | Y108-I126 PolarHBondContact O-N 3.48Å; I109-I126 VanDerWaalsContact CA-O 3.24Å; I109-I126 WeakPolarHBondContact CA-O 3.17Å; I109-I126 HydrophobicContact CG1-CB 4.43Å; I109-I126 HydrophobicContact CG2-CB 4.36Å; S110-I126 PolarHBondContact N-O 3.37Å; V113-I126 HydrophobicContact CB-CG2 4.4Å; V113-I126 HydrophobicContact CG1-CG2 3.58Å; V113-I126 HydrophobicContact CG2-CG2 3.93Å; I115-I126 HydrophobicContact CD1-CD1 4.19Å; V120-I126 HydrophobicContact CG1-CD1 3.78Å; V120-I126 HydrophobicContact CG2-CD1 4.08Å; I126-A130 HydrophobicContact CG2-CB 4.12Å; I126-I132 HydrophobicContact CD1-CD1 3.69Å; I126-I132 HydrophobicContact CG1-CD1 4.37Å; I126-I132 HydrophobicContact CG2-CD1 3.74Å; I126-I154 CarbonylContact C-O 3.57Å; I126-I154 VanDerWaalsContact CA-O 3.25Å; I126-I154 WeakPolarHBondContact CA-O 3.37Å; I126-I154 HydrophobicContact CG2-CB 4.28Å |
| 127 | F | 98.9 | Very high | 98.5 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 24% | 0.237 | 22% | 0.216 | C | C | . | . | trans | -149.3 | -172.6 | -169.9 | 64.6 | -84.3 | 0 | 0 | 0 | 112.4 | S110 D111 V113 R125 H129 I154 Y155 | S110-F127 WeakPolarHBondContact OG-CB 3.22Å; D111-F127 WeakPolarHBondContact OD2-CB 3.18Å; V113-F127 VanDerWaalsContact CG2-CA 3.5Å; V113-F127 WeakPolarHBondContact CG2-O 3.1Å; R125-F127 HydrophobicContact CB-CD1 4.04Å; R125-F127 HydrophobicContact CB-CE1 4.2Å; F127-H129 PolarHBondContact O-N 2.88Å; F127-I154 PolarHBondContact N-O 2.81Å; F127-Y155 HydrophobicContact CD1-CG 4.41Å; F127-Y155 HydrophobicContact CD2-CG 4.36Å; F127-Y155 VanDerWaalsContact CE1-CB 3.5Å; F127-Y155 AromaticContact CE1-CD1 3.78Å; F127-Y155 HydrophobicContact CE1-CD1 3.78Å; F127-Y155 AromaticContact CE1-CG 3.72Å; F127-Y155 HydrophobicContact CE1-CG 3.72Å; F127-Y155 VanDerWaalsContact CE2-CB 3.44Å; F127-Y155 HydrophobicContact CE2-CD1 4.43Å; F127-Y155 AromaticContact CE2-CD2 3.77Å; F127-Y155 HydrophobicContact CE2-CD2 3.77Å; F127-Y155 AromaticContact CE2-CG 3.64Å; F127-Y155 HydrophobicContact CE2-CG 3.64Å; F127-Y155 AromaticContact CZ-CD1 3.62Å; F127-Y155 HydrophobicContact CZ-CD1 3.62Å; F127-Y155 AromaticContact CZ-CD2 3.7Å; F127-Y155 HydrophobicContact CZ-CD2 3.7Å; F127-Y155 HydrophobicContact CZ-CE1 4.29Å; F127-Y155 HydrophobicContact CZ-CE2 4.4Å; F127-Y155 AromaticContact CZ-CG 3.27Å; F127-Y155 HydrophobicContact CZ-CG 3.27Å; F127-Y155 VanDerWaalsContact O-CA 3.29Å; F127-Y155 WeakPolarHBondContact O-CA 2.99Å | ||
| 128 | G | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -127 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D111 S112 | D111-G128 WeakPolarHBondContact CB-O 3.42Å; D111-G128 WeakPolarHBondContact OD2-CA 3.38Å; D111-G128 PolarHBondContact OD2-N 3.4Å; S112-G128 CarbonylContact C-O 3.57Å; S112-G128 WeakPolarHBondContact CA-O 3.24Å; S112-G128 PolarHBondContact N-O 3.41Å |
| 129 | H | 98.8 | Very high | 98.5 | Very high | 120 Ų | 120 | 44 Ų | 44 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 27.6 | 179.1 | -58.9 | -83.6 | 0 | 0 | 0 | 111.5 | F127 D156 R157 | F127-H129 PolarHBondContact O-N 2.88Å; H129-D156 CarbonylContact C-O 3.46Å; H129-D156 VanDerWaalsContact CA-O 3.25Å; H129-D156 WeakPolarHBondContact CA-O 3.39Å; H129-D156 WeakPolarHBondContact CB-O 3.32Å; H129-D156 PolarHBondContact N-O 2.94Å; H129-R157 HydrophobicContact CB-CG 4.24Å |
| 130 | A | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | trans | -59 | 142.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | V113 T114 I126 I154 A158 | V113-A130 WeakPolarHBondContact CA-O 3.46Å; V113-A130 HydrophobicContact CG2-CB 4.16Å; T114-A130 PolarHBondContact N-O 3.43Å; I126-A130 HydrophobicContact CG2-CB 4.12Å; A130-I154 HydrophobicContact CB-CG2 3.86Å; A130-A158 VanDerWaalsContact CA-O 3.29Å; A130-A158 WeakPolarHBondContact CA-O 3.25Å | ||
| 131 | L | 98.9 | Very high | 98.2 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.5 | 176.4 | 173.3 | 63.9 | 0 | 0 | 0 | 109.6 | T114 A158 R159 V160 | T114-L131 HydrophobicContact CG2-CD1 3.83Å; T114-L131 WeakPolarHBondContact O-CA 3.38Å; L131-A158 PolarHBondContact N-O 3.2Å; L131-R159 HydrophobicContact CB-CG 4.29Å; L131-R159 CarbonylContact O-C 3.56Å; L131-R159 WeakPolarHBondContact O-CA 3.19Å; L131-V160 PolarHBondContact O-N 3.08Å |
| 132 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119.5 | 178.4 | -57.9 | 169.6 | 0 | 0 | 0 | 107.8 | T114 I115 H116 I126 I138 I154 V160 | T114-I132 PolarHBondContact O-N 2.87Å; I115-I132 CarbonylContact C-O 3.05Å; I115-I132 WeakPolarHBondContact CA-O 3.33Å; I115-I132 HydrophobicContact CD1-CD1 4.45Å; I115-I132 HydrophobicContact CG1-CB 4.37Å; I115-I132 HydrophobicContact CG1-CD1 4.39Å; I115-I132 HydrophobicContact CG2-CB 4.41Å; H116-I132 PolarHBondContact N-O 3.11Å; I126-I132 HydrophobicContact CD1-CD1 3.69Å; I126-I132 HydrophobicContact CG1-CD1 4.37Å; I126-I132 HydrophobicContact CG2-CD1 3.74Å; I132-I138 HydrophobicContact CD1-CD1 4.49Å; I132-I138 HydrophobicContact CD1-CG1 4.13Å; I132-I138 HydrophobicContact CG2-CD1 4.2Å; I132-I138 HydrophobicContact CG2-CG1 4.12Å; I132-I154 HydrophobicContact CD1-CD1 4.03Å; I132-V160 WeakPolarHBondContact CA-O 3.3Å; I132-V160 HydrophobicContact CG1-CB 4.45Å |
| 133 | N | 98.7 | Very high | 97.4 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 17% | 0.166 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | -175.6 | -175.6 | 69.6 | 9 | 0 | 0 | 0 | 114.9 | H116 S118 H135 S136 V160 S161 A162 | H116-N133 HydrophobicContact CB-CB 4.25Å; H116-N133 VanDerWaalsContact O-CA 3.22Å; H116-N133 WeakPolarHBondContact O-CA 3.36Å; S118-N133 WeakPolarHBondContact OG-CA 3.42Å; N133-H135 PolarHBondContact O-N 3.46Å; N133-S136 WeakPolarHBondContact O-CB 3.35Å; N133-S136 PolarHBondContact O-N 2.77Å; N133-S136 PolarHBondContact O-OG 2.99Å; N133-V160 PolarHBondContact N-O 2.77Å; N133-V160 PolarHBondContact OD1-O 3.25Å; N133-S161 WeakPolarHBondContact O-CA 3.36Å; N133-S161 WeakPolarHBondContact OD1-CA 3.29Å; N133-S161 VanDerWaalsContact OD1-CB 3.26Å; N133-S161 WeakPolarHBondContact OD1-CB 3.24Å; N133-S161 PolarHBondContact OD1-OG 2.67Å; N133-A162 PolarHBondContact O-N 3.35Å |
| 134 | Q | 98 | Very high | 96.9 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 57.2 | 49.6 | 171.9 | -63.5 | -175.3 | -22.4 | 0 | 0 | 113.2 | S136 A162 | Q134-S136 VanDerWaalsContact C-N 3.26Å; Q134-S136 PolarHBondContact O-N 2.96Å; Q134-A162 HydrophobicContact CB-CB 4.26Å; Q134-A162 WeakPolarHBondContact O-CA 3.48Å; Q134-A162 PolarHBondContact O-N 3.11Å |
| 135 | H | 98.1 | Very high | 96.3 | Very high | 146 Ų | 146 | 49.1 Ų | 49.1 | 68% | 0.676 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 61.5 | 33.5 | -179.8 | -47.9 | 98 | 0 | 0 | 0 | 113.3 | D117 N133 | D117-H135 WeakPolarHBondContact O-CA 3.04Å; D117-H135 PolarHBondContact O-N 2.74Å; N133-H135 PolarHBondContact O-N 3.46Å |
| 136 | S | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -67.6 | 146.2 | 172.1 | -67.4 | 0 | 0 | 0 | 0 | 110.6 | S118 L119 N133 Q134 V160 S161 A162 S163 | S118-S136 WeakPolarHBondContact CA-O 3.29Å; S118-S136 WeakPolarHBondContact CB-O 3.32Å; S118-S136 PolarHBondContact OG-N 2.76Å; L119-S136 PolarHBondContact N-O 3.03Å; N133-S136 WeakPolarHBondContact O-CB 3.35Å; N133-S136 PolarHBondContact O-N 2.77Å; N133-S136 PolarHBondContact O-OG 2.99Å; Q134-S136 VanDerWaalsContact C-N 3.26Å; Q134-S136 PolarHBondContact O-N 2.96Å; S136-V160 PolarHBondContact OG-O 3.2Å; S136-S161 WeakPolarHBondContact OG-CA 3.33Å; S136-A162 PolarHBondContact OG-N 3.22Å; S136-S163 CarbonylContact C-O 3.55Å; S136-S163 VanDerWaalsContact CA-O 3.24Å; S136-S163 WeakPolarHBondContact CA-O 3.34Å; S136-S163 PolarHBondContact OG-N 2.92Å | ||
| 137 | M | 98.8 | Very high | 95.2 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.7 | 177.5 | -64.5 | -170.8 | -70.8 | 0 | 0 | 109.7 | L119 S163 R164 I165 | L119-M137 HydrophobicContact CB-CG 4.24Å; L119-M137 HydrophobicContact CD2-CG 4.4Å; L119-M137 HydrophobicContact CD2-SD 4.44Å; L119-M137 WeakPolarHBondContact O-CA 3.4Å; M137-S163 PolarHBondContact N-O 2.85Å; M137-R164 HydrophobicContact CB-CG 4.39Å; M137-R164 HydrophobicContact CE-CG 3.64Å; M137-R164 CarbonylContact O-C 3.03Å; M137-R164 VanDerWaalsContact O-CA 3.32Å; M137-R164 WeakPolarHBondContact O-CA 3.42Å; M137-I165 PolarHBondContact O-N 3.26Å |
| 138 | I | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 113.6 | 176.1 | -45 | -55.2 | 0 | 0 | 0 | 107.7 | L119 V120 C121 I132 L152 I154 V160 I165 | L119-I138 PolarHBondContact O-N 2.85Å; V120-I138 CarbonylContact C-O 3.51Å; V120-I138 WeakPolarHBondContact CA-O 3.15Å; V120-I138 HydrophobicContact CB-CB 4.4Å; V120-I138 HydrophobicContact CG1-CB 4.25Å; V120-I138 HydrophobicContact CG2-CB 4.07Å; V120-I138 HydrophobicContact CG2-CG1 3.99Å; C121-I138 PolarHBondContact N-O 2.81Å; I132-I138 HydrophobicContact CD1-CD1 4.49Å; I132-I138 HydrophobicContact CD1-CG1 4.13Å; I132-I138 HydrophobicContact CG2-CD1 4.2Å; I132-I138 HydrophobicContact CG2-CG1 4.12Å; I138-L152 HydrophobicContact CG2-CD1 3.84Å; I138-L152 HydrophobicContact CG2-CD2 3.5Å; I138-L152 HydrophobicContact CG2-CG 4.36Å; I138-I154 HydrophobicContact CD1-CD1 3.66Å; I138-I154 HydrophobicContact CG1-CD1 4.15Å; I138-I154 HydrophobicContact CG2-CD1 4.07Å; I138-V160 HydrophobicContact CD1-CG1 4.3Å; I138-I165 CarbonylContact C-O 3.51Å; I138-I165 VanDerWaalsContact CA-O 3.31Å; I138-I165 WeakPolarHBondContact CA-O 3.24Å; I138-I165 HydrophobicContact CD1-CB 3.76Å; I138-I165 HydrophobicContact CD1-CG1 3.66Å |
| 139 | V | 98.2 | Very high | 94.2 | Very high | 45 Ų | 45 | 63 Ų | 63 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 95.4 | -173 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | C121 A141 I165 V166 H167 | C121-V139 CarbonylContact O-C 3.57Å; C121-V139 WeakPolarHBondContact O-CA 3.1Å; V139-A141 HydrophobicContact CG1-CB 4.38Å; V139-A141 PolarHBondContact O-N 2.92Å; V139-I165 PolarHBondContact N-O 2.93Å; V139-V166 HydrophobicContact CB-CG1 4.15Å; V139-V166 HydrophobicContact CB-CG2 4.23Å; V139-V166 HydrophobicContact CG1-CG1 4.47Å; V139-V166 CarbonylContact O-C 3.54Å; V139-V166 VanDerWaalsContact O-CA 3.24Å; V139-V166 WeakPolarHBondContact O-CA 3.33Å; V139-V166 WeakPolarHBondContact O-CG1 3.33Å; V139-H167 PolarHBondContact O-N 3.3Å |
| 140 | A | 97.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 60.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C121 Q123 C124 Q142 L152 H167 | C121-A140 PolarHBondContact O-N 3.21Å; Q123-A140 WeakPolarHBondContact O-CB 3.33Å; C124-A140 HydrophobicContact CB-CB 3.76Å; A140-Q142 PolarHBondContact O-N 2.93Å; A140-L152 HydrophobicContact CB-CB 3.82Å; A140-L152 HydrophobicContact CB-CD1 4.21Å; A140-H167 WeakPolarHBondContact CA-O 3.29Å |
| 141 | A | 93.4 | Very high | 94 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | trans | -77.3 | 115.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V139 H167 | V139-A141 HydrophobicContact CG1-CB 4.38Å; V139-A141 PolarHBondContact O-N 2.92Å; A141-H167 WeakPolarHBondContact O-CA 3.39Å; A141-H167 PolarHBondContact O-CD2 3.01Å | ||
| 142 | Q | 89.9 | Confident | 94 | Very high | 77 Ų | 77 | 58.5 Ų | 58.5 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | trans | -90.1 | 168.1 | 176.9 | -66.3 | -171.8 | -39.6 | 0 | 0 | 112.3 | A140 L150 L151 | A140-Q142 PolarHBondContact O-N 2.93Å; Q142-L150 PolarHBondContact NE2-O 3.05Å; Q142-L151 VanDerWaalsContact NE2-CD2 3.32Å | ||
| 143 | G | 89.1 | Confident | 94 | Very high | 53 Ų | 53 | 60.3 Ų | 60.3 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 95.8 | -6.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 144 | L | 87.6 | Confident | 94 | Very high | 113 Ų | 113 | 58.9 Ų | 58.9 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -96.7 | -1 | 176.1 | -67.2 | 171.8 | 0 | 0 | 0 | 113.7 | H167 | L144-H167 WeakPolarHBondContact CD1-NE2 3.43Š|
| 145 | T | 84.7 | Confident | 94 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -132 | 154.4 | 171.6 | 109.5 | 0 | 0 | 0 | 0 | 111.2 | D147 Q168 H184 R185 | T145-D147 VanDerWaalsContact C-N 3.26Å; T145-D147 PolarHBondContact O-N 2.85Å; T145-Q168 VanDerWaalsContact CB-OE1 3.26Å; T145-Q168 PolarHBondContact OG1-OE1 2.92Å; T145-H184 HydrophobicContact CG2-CB 4.03Å; T145-R185 HydrophobicContact CG2-CG 4.17Å; T145-R185 PolarHBondContact OG1-NH1 2.87Å |
| 146 | P | 85.4 | Confident | 94 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 68% | 0.682 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -65.7 | -20.7 | -176 | 23.1 | -37 | 0 | 0 | 0 | 115.3 | H148 R185 | P146-H148 PolarHBondContact O-N 2.91Å; P146-R185 VanDerWaalsContact CG-NH1 3.34Å |
| 147 | D | 89.4 | Confident | 94 | Very high | 67 Ų | 67 | 58.8 Ų | 58.8 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | trans | -86.2 | 109.4 | 174.5 | -171.8 | -25.9 | 0 | 0 | 0 | 108.1 | T145 Q149 L150 Q168 | T145-D147 VanDerWaalsContact C-N 3.26Å; T145-D147 PolarHBondContact O-N 2.85Å; D147-Q149 VanDerWaalsContact C-N 3.35Å; D147-Q149 PolarHBondContact OD1-N 2.73Å; D147-L150 HydrophobicContact CB-CB 4.25Å; D147-L150 PolarHBondContact OD1-N 2.99Å; D147-Q168 PolarHBondContact O-NE2 2.82Å; D147-Q168 PolarHBondContact O-OE1 2.99Å | ||
| 148 | H | 86.3 | Confident | 94 | Very high | 130 Ų | 130 | 55.6 Ų | 55.6 | 60% | 0.602 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -85.6 | -7.7 | -179.9 | -63.6 | -67.6 | 0 | 0 | 0 | 113.7 | P146 | P146-H148 PolarHBondContact O-N 2.91Š|
| 149 | Q | 90.8 | Very high | 94 | Very high | 176 Ų | 176 | 60.7 Ų | 60.7 | 82% | 0.822 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -103.2 | -26.5 | -174 | -64.4 | -175.2 | -9.8 | 0 | 0 | 112.5 | D147 L151 | D147-Q149 VanDerWaalsContact C-N 3.35Å; D147-Q149 PolarHBondContact OD1-N 2.73Å; Q149-L151 PolarHBondContact O-N 2.55Å |
| 150 | L | 95.5 | Very high | 94.1 | Very high | 44 Ų | 44 | 58.6 Ų | 58.6 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | trans | -60.5 | 133.2 | 174.9 | -172 | 63.7 | 0 | 0 | 0 | 110.3 | Q142 D147 Q168 R185 | Q142-L150 PolarHBondContact NE2-O 3.05Å; D147-L150 HydrophobicContact CB-CB 4.25Å; D147-L150 PolarHBondContact OD1-N 2.99Å; L150-Q168 HydrophobicContact CD2-CB 4.12Å; L150-Q168 HydrophobicContact CG-CB 4.23Å; L150-Q168 WeakPolarHBondContact O-CG 3.44Å; L150-Q168 PolarHBondContact O-NE2 3.07Å; L150-R185 HydrophobicContact CD2-CG 3.93Å | ||
| 151 | L | 97 | Very high | 94.2 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | trans | -105.1 | 154.3 | 172.2 | -61.2 | 174 | 0 | 0 | 0 | 108.5 | Q123 R125 Q142 Q149 Q153 Q170 | Q123-L151 HydrophobicContact CB-CD2 4.01Å; Q123-L151 WeakPolarHBondContact O-CD2 3.31Å; R125-L151 HydrophobicContact CG-CD1 4.35Å; Q142-L151 VanDerWaalsContact NE2-CD2 3.32Å; Q149-L151 PolarHBondContact O-N 2.55Å; L151-Q153 WeakPolarHBondContact O-CG 3.46Å; L151-Q153 PolarHBondContact O-N 2.74Å; L151-Q170 PolarHBondContact O-NE2 3.21Å | ||
| 152 | L | 98.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 131.1 | 165 | -171.5 | 158 | 0 | 0 | 0 | 108.7 | C124 R125 I138 A140 I154 I165 H167 | C124-L152 WeakPolarHBondContact CA-O 3.32Å; C124-L152 HydrophobicContact CB-CB 3.98Å; C124-L152 HydrophobicContact CB-CD2 4.05Å; C124-L152 WeakPolarHBondContact CB-O 3.43Å; R125-L152 PolarHBondContact N-O 3.35Å; I138-L152 HydrophobicContact CG2-CD1 3.84Å; I138-L152 HydrophobicContact CG2-CD2 3.5Å; I138-L152 HydrophobicContact CG2-CG 4.36Å; A140-L152 HydrophobicContact CB-CB 3.82Å; A140-L152 HydrophobicContact CB-CD1 4.21Å; L152-I154 HydrophobicContact CD2-CD1 4.07Å; L152-I154 HydrophobicContact CD2-CG1 3.86Å; L152-I165 HydrophobicContact CD1-CG2 4.1Å; L152-I165 HydrophobicContact CD2-CG2 4.46Å; L152-I165 HydrophobicContact CG-CG2 4.4Å; L152-H167 WeakPolarHBondContact CB-O 3.39Å |
| 153 | Q | 98.8 | Very high | 94.8 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.2 | 177.8 | -55.3 | -177 | 101.9 | 0 | 0 | 112 | R125 L151 Y155 A169 I171 | R125-Q153 HydrophobicContact CB-CG 4.23Å; R125-Q153 VanDerWaalsContact O-CA 3.26Å; R125-Q153 WeakPolarHBondContact O-CA 3.42Å; L151-Q153 WeakPolarHBondContact O-CG 3.46Å; L151-Q153 PolarHBondContact O-N 2.74Å; Q153-Y155 HydrophobicContact CB-CD1 3.94Å; Q153-Y155 HydrophobicContact CB-CE1 4.13Å; Q153-A169 PolarHBondContact N-O 2.68Å; Q153-I171 PolarHBondContact O-N 2.94Å |
| 154 | I | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 115.3 | 172.4 | -55.5 | 177.7 | 0 | 0 | 0 | 108.1 | R125 I126 F127 A130 I132 I138 L152 A158 V160 I165 I171 | R125-I154 PolarHBondContact O-N 2.87Å; I126-I154 CarbonylContact C-O 3.57Å; I126-I154 VanDerWaalsContact CA-O 3.25Å; I126-I154 WeakPolarHBondContact CA-O 3.37Å; I126-I154 HydrophobicContact CG2-CB 4.28Å; F127-I154 PolarHBondContact N-O 2.81Å; A130-I154 HydrophobicContact CB-CG2 3.86Å; I132-I154 HydrophobicContact CD1-CD1 4.03Å; I138-I154 HydrophobicContact CD1-CD1 3.66Å; I138-I154 HydrophobicContact CG1-CD1 4.15Å; I138-I154 HydrophobicContact CG2-CD1 4.07Å; L152-I154 HydrophobicContact CD2-CD1 4.07Å; L152-I154 HydrophobicContact CD2-CG1 3.86Å; I154-A158 HydrophobicContact CG2-CB 4.01Å; I154-V160 HydrophobicContact CD1-CG2 4.35Å; I154-V160 HydrophobicContact CG2-CG2 4.34Å; I154-I165 HydrophobicContact CD1-CG1 4.46Å; I154-I165 HydrophobicContact CD1-CG2 4.4Å; I154-I171 CarbonylContact C-O 3.47Å; I154-I171 VanDerWaalsContact CA-O 3.24Å; I154-I171 WeakPolarHBondContact CA-O 3.44Å; I154-I171 HydrophobicContact CG1-CB 4.17Å; I154-I171 HydrophobicContact CG1-CG1 4.28Å; I154-I171 HydrophobicContact CG2-CB 4.31Å |
| 155 | Y | 98.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 18% | 0.18 | 25% | 0.253 | C | S | . | . | trans | -151.2 | -168.2 | -171.5 | 65.1 | -85.3 | 0 | 0 | 0 | 115.1 | F127 Q153 R157 A158 I171 Y172 | F127-Y155 HydrophobicContact CD1-CG 4.41Å; F127-Y155 HydrophobicContact CD2-CG 4.36Å; F127-Y155 VanDerWaalsContact CE1-CB 3.5Å; F127-Y155 AromaticContact CE1-CD1 3.78Å; F127-Y155 HydrophobicContact CE1-CD1 3.78Å; F127-Y155 AromaticContact CE1-CG 3.72Å; F127-Y155 HydrophobicContact CE1-CG 3.72Å; F127-Y155 VanDerWaalsContact CE2-CB 3.44Å; F127-Y155 HydrophobicContact CE2-CD1 4.43Å; F127-Y155 AromaticContact CE2-CD2 3.77Å; F127-Y155 HydrophobicContact CE2-CD2 3.77Å; F127-Y155 AromaticContact CE2-CG 3.64Å; F127-Y155 HydrophobicContact CE2-CG 3.64Å; F127-Y155 AromaticContact CZ-CD1 3.62Å; F127-Y155 HydrophobicContact CZ-CD1 3.62Å; F127-Y155 AromaticContact CZ-CD2 3.7Å; F127-Y155 HydrophobicContact CZ-CD2 3.7Å; F127-Y155 HydrophobicContact CZ-CE1 4.29Å; F127-Y155 HydrophobicContact CZ-CE2 4.4Å; F127-Y155 AromaticContact CZ-CG 3.27Å; F127-Y155 HydrophobicContact CZ-CG 3.27Å; F127-Y155 VanDerWaalsContact O-CA 3.29Å; F127-Y155 WeakPolarHBondContact O-CA 2.99Å; Q153-Y155 HydrophobicContact CB-CD1 3.94Å; Q153-Y155 HydrophobicContact CB-CE1 4.13Å; Y155-R157 PolarHBondContact O-N 2.94Å; Y155-A158 WeakPolarHBondContact O-CB 3.34Å; Y155-A158 PolarHBondContact O-N 3.46Å; Y155-A158 VanDerWaalsContact O-N 3.14Å; Y155-I171 PolarHBondContact N-O 2.89Å; Y155-Y172 VanDerWaalsContact CE1-CB 3.45Å; Y155-Y172 HydrophobicContact CE1-CD1 4.03Å; Y155-Y172 AromaticContact CE1-CG 3.88Å; Y155-Y172 HydrophobicContact CE1-CG 3.88Å; Y155-Y172 VanDerWaalsContact CE2-CB 3.41Å; Y155-Y172 HydrophobicContact CE2-CD2 4.2Å; Y155-Y172 AromaticContact CE2-CG 3.97Å; Y155-Y172 HydrophobicContact CE2-CG 3.97Å; Y155-Y172 AromaticContact CZ-CD1 3.93Å; Y155-Y172 AromaticContact CZ-CD2 3.89Å; Y155-Y172 AromaticContact CZ-CG 3.44Å; Y155-Y172 VanDerWaalsContact CZ-CG 3.44Å; Y155-Y172 WeakPolarHBondContact OH-CD2 3.22Å | ||
| 156 | D | 98.8 | Very high | 96.5 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -113.2 | -172.2 | -63.7 | -33 | 0 | 0 | 0 | 112.6 | H129 G173 | H129-D156 CarbonylContact C-O 3.46Å; H129-D156 VanDerWaalsContact CA-O 3.25Å; H129-D156 WeakPolarHBondContact CA-O 3.39Å; H129-D156 WeakPolarHBondContact CB-O 3.32Å; H129-D156 PolarHBondContact N-O 2.94Å; D156-G173 VanDerWaalsContact CB-O 3.3Å; D156-G173 WeakPolarHBondContact CB-O 3.04Å; D156-G173 PolarHBondContact OD2-N 2.82Å |
| 157 | R | 98.8 | Very high | 97 | Very high | 119 Ų | 119 | 49.2 Ų | 49.2 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 21.5 | 176.3 | -65.3 | -171.9 | -63.9 | -80.9 | 0.9 | 111.5 | H129 Y155 G173 D174 | H129-R157 HydrophobicContact CB-CG 4.24Å; Y155-R157 PolarHBondContact O-N 2.94Å; R157-G173 CarbonylContact C-O 3.51Å; R157-G173 VanDerWaalsContact C-O 3.29Å; R157-G173 WeakPolarHBondContact CA-O 3.43Å; R157-G173 PolarHBondContact N-O 2.85Å; R157-D174 IonicContact CZ-OD1 3.62Å; R157-D174 IonicContact CZ-OD2 3.21Å; R157-D174 IonicContact NE-OD1 3.99Å; R157-D174 PolarHBondContact NE-OD1 2.85Å; R157-D174 IonicContact NE-OD2 2.68Å; R157-D174 IonicContact NH2-OD1 3.53Å; R157-D174 PolarHBondContact NH2-OD1 2.61Å; R157-D174 IonicContact NH2-OD2 3Å; R157-D174 PolarHBondContact NH2-OD2 3.46Å |
| 158 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -55.6 | 138.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | A130 L131 I154 Y155 I171 G173 A175 | A130-A158 VanDerWaalsContact CA-O 3.29Å; A130-A158 WeakPolarHBondContact CA-O 3.25Å; L131-A158 PolarHBondContact N-O 3.2Å; I154-A158 HydrophobicContact CG2-CB 4.01Å; Y155-A158 WeakPolarHBondContact O-CB 3.34Å; Y155-A158 PolarHBondContact O-N 3.46Å; Y155-A158 VanDerWaalsContact O-N 3.14Å; A158-I171 HydrophobicContact CB-CG2 3.83Å; A158-G173 PolarHBondContact N-O 3.47Å; A158-A175 WeakPolarHBondContact CA-O 3.34Å | ||
| 159 | R | 98.9 | Very high | 98 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 40% | 0.404 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.5 | 178.1 | -59.6 | -175.1 | 177.5 | 80.7 | 0.7 | 109.8 | L131 A175 I177 | L131-R159 HydrophobicContact CB-CG 4.29Å; L131-R159 CarbonylContact O-C 3.56Å; L131-R159 WeakPolarHBondContact O-CA 3.19Å; R159-A175 PolarHBondContact N-O 2.88Å; R159-I177 PolarHBondContact O-N 3.2Å |
| 160 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120.1 | 179.5 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | L131 I132 N133 S136 I138 I154 I165 I171 I177 | L131-V160 PolarHBondContact O-N 3.08Å; I132-V160 WeakPolarHBondContact CA-O 3.3Å; I132-V160 HydrophobicContact CG1-CB 4.45Å; N133-V160 PolarHBondContact N-O 2.77Å; N133-V160 PolarHBondContact OD1-O 3.25Å; S136-V160 PolarHBondContact OG-O 3.2Å; I138-V160 HydrophobicContact CD1-CG1 4.3Å; I154-V160 HydrophobicContact CD1-CG2 4.35Å; I154-V160 HydrophobicContact CG2-CG2 4.34Å; V160-I165 HydrophobicContact CG1-CD1 4.08Å; V160-I165 HydrophobicContact CG1-CG1 3.74Å; V160-I165 HydrophobicContact CG2-CG1 4.43Å; V160-I171 HydrophobicContact CG2-CG2 4.33Å; V160-I177 HydrophobicContact CG2-CB 4.48Å; V160-I177 HydrophobicContact CG2-CD1 4.47Å |
| 161 | S | 98.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 13% | 0.133 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.1 | -175.7 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | N133 S136 S163 I177 R178 Y179 | N133-S161 WeakPolarHBondContact O-CA 3.36Å; N133-S161 WeakPolarHBondContact OD1-CA 3.29Å; N133-S161 VanDerWaalsContact OD1-CB 3.26Å; N133-S161 WeakPolarHBondContact OD1-CB 3.24Å; N133-S161 PolarHBondContact OD1-OG 2.67Å; S136-S161 WeakPolarHBondContact OG-CA 3.33Å; S161-S163 WeakPolarHBondContact O-CB 3.33Å; S161-S163 PolarHBondContact O-N 3.44Å; S161-S163 PolarHBondContact O-OG 2.86Å; S161-I177 PolarHBondContact N-O 3.06Å; S161-R178 VanDerWaalsContact O-CA 3.31Å; S161-R178 WeakPolarHBondContact O-CA 3.43Å; S161-Y179 PolarHBondContact O-N 2.77Å |
| 162 | A | 98.7 | Very high | 98.6 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 19% | 0.19 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 47 | 37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N133 Q134 S136 Y179 | N133-A162 PolarHBondContact O-N 3.35Å; Q134-A162 HydrophobicContact CB-CB 4.26Å; Q134-A162 WeakPolarHBondContact O-CA 3.48Å; Q134-A162 PolarHBondContact O-N 3.11Å; S136-A162 PolarHBondContact OG-N 3.22Å; A162-Y179 HydrophobicContact CB-CD1 3.82Å; A162-Y179 HydrophobicContact CB-CE1 3.67Å; A162-Y179 HydrophobicContact CB-CG 4.43Å; A162-Y179 WeakPolarHBondContact O-CA 3.2Å; A162-Y179 PolarHBondContact O-N 3.35Å |
| 163 | S | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -131.1 | 161.1 | -169.7 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | S136 M137 S161 Y179 A180 | S136-S163 CarbonylContact C-O 3.55Å; S136-S163 VanDerWaalsContact CA-O 3.24Å; S136-S163 WeakPolarHBondContact CA-O 3.34Å; S136-S163 PolarHBondContact OG-N 2.92Å; M137-S163 PolarHBondContact N-O 2.85Å; S161-S163 WeakPolarHBondContact O-CB 3.33Å; S161-S163 PolarHBondContact O-N 3.44Å; S161-S163 PolarHBondContact O-OG 2.86Å; S163-Y179 PolarHBondContact OG-N 3.01Å; S163-A180 CarbonylContact C-O 3.15Å; S163-A180 WeakPolarHBondContact CA-O 3.42Å; S163-A180 WeakPolarHBondContact CB-O 3.4Å; S163-A180 PolarHBondContact OG-N 2.78Å | ||
| 164 | R | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 30.7 Ų | 30.7 | 46% | 0.464 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.7 | 177.6 | -62.7 | -178 | -171 | 144.3 | 1.4 | 109 | M137 V166 A180 F181 I182 | M137-R164 HydrophobicContact CB-CG 4.39Å; M137-R164 HydrophobicContact CE-CG 3.64Å; M137-R164 CarbonylContact O-C 3.03Å; M137-R164 VanDerWaalsContact O-CA 3.32Å; M137-R164 WeakPolarHBondContact O-CA 3.42Å; R164-V166 HydrophobicContact CB-CG2 4.39Å; R164-A180 PolarHBondContact N-O 2.65Å; R164-F181 HydrophobicContact CB-CD2 3.65Å; R164-F181 HydrophobicContact CB-CE2 4.29Å; R164-F181 WeakPolarHBondContact O-CA 3.35Å; R164-I182 PolarHBondContact O-N 3.46Å |
| 165 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.3 | 178 | -45.8 | -60.3 | 0 | 0 | 0 | 107.6 | M137 I138 V139 L152 I154 V160 A169 I171 I177 I182 | M137-I165 PolarHBondContact O-N 3.26Å; I138-I165 CarbonylContact C-O 3.51Å; I138-I165 VanDerWaalsContact CA-O 3.31Å; I138-I165 WeakPolarHBondContact CA-O 3.24Å; I138-I165 HydrophobicContact CD1-CB 3.76Å; I138-I165 HydrophobicContact CD1-CG1 3.66Å; V139-I165 PolarHBondContact N-O 2.93Å; L152-I165 HydrophobicContact CD1-CG2 4.1Å; L152-I165 HydrophobicContact CD2-CG2 4.46Å; L152-I165 HydrophobicContact CG-CG2 4.4Å; I154-I165 HydrophobicContact CD1-CG1 4.46Å; I154-I165 HydrophobicContact CD1-CG2 4.4Å; V160-I165 HydrophobicContact CG1-CD1 4.08Å; V160-I165 HydrophobicContact CG1-CG1 3.74Å; V160-I165 HydrophobicContact CG2-CG1 4.43Å; I165-A169 HydrophobicContact CG2-CB 3.72Å; I165-I171 HydrophobicContact CD1-CD1 4.46Å; I165-I171 HydrophobicContact CD1-CG1 4.5Å; I165-I171 HydrophobicContact CG2-CD1 4.48Å; I165-I171 HydrophobicContact CG2-CG1 4.01Å; I165-I177 HydrophobicContact CD1-CG2 4.34Å; I165-I182 CarbonylContact C-O 3.28Å; I165-I182 WeakPolarHBondContact CA-O 3.32Å; I165-I182 HydrophobicContact CD1-CB 3.81Å; I165-I182 HydrophobicContact CD1-CD1 3.82Å; I165-I182 HydrophobicContact CD1-CG1 3.91Å |
| 166 | V | 98.3 | Very high | 98.6 | Very high | 20 Ų | 20 | 31.3 Ų | 31.3 | 12% | 0.121 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.5 | -163.9 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | V139 R164 Q168 F181 I182 E183 | V139-V166 HydrophobicContact CB-CG1 4.15Å; V139-V166 HydrophobicContact CB-CG2 4.23Å; V139-V166 HydrophobicContact CG1-CG1 4.47Å; V139-V166 CarbonylContact O-C 3.54Å; V139-V166 VanDerWaalsContact O-CA 3.24Å; V139-V166 WeakPolarHBondContact O-CA 3.33Å; V139-V166 WeakPolarHBondContact O-CG1 3.33Å; R164-V166 HydrophobicContact CB-CG2 4.39Å; V166-Q168 PolarHBondContact O-N 3.18Å; V166-F181 HydrophobicContact CB-CE2 4.22Å; V166-F181 HydrophobicContact CG2-CD2 4.42Å; V166-F181 HydrophobicContact CG2-CE2 3.75Å; V166-I182 PolarHBondContact N-O 3.02Å; V166-E183 HydrophobicContact CB-CB 4.34Å; V166-E183 WeakPolarHBondContact O-CA 3.22Å |
| 167 | H | 96.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 28 Ų | 28 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -111.3 | -180 | -50.3 | 133.6 | 0 | 0 | 0 | 113.3 | V139 A140 A141 L144 L152 E183 H184 | V139-H167 PolarHBondContact O-N 3.3Å; A140-H167 WeakPolarHBondContact CA-O 3.29Å; A141-H167 WeakPolarHBondContact O-CA 3.39Å; A141-H167 PolarHBondContact O-CD2 3.01Å; L144-H167 WeakPolarHBondContact CD1-NE2 3.43Å; L152-H167 WeakPolarHBondContact CB-O 3.39Å; H167-E183 IonicContact CE1-OE2 3.9Å; H167-E183 PolarHBondContact CE1-OE2 3.14Å; H167-E183 IonicContact ND1-OE2 3.92Å; H167-H184 AromaticContact CE1-CD2 3.68Å; H167-H184 AromaticContact CE1-NE2 3.78Å; H167-H184 AromaticContact CG-CD2 3.96Å; H167-H184 AromaticContact ND1-CD2 3.11Å; H167-H184 PolarHBondContact ND1-CD2 3.06Å; H167-H184 AromaticContact ND1-CG 3.99Å; H167-H184 PolarHBondContact ND1-N 3.15Å; H167-H184 AromaticContact ND1-NE2 3.68Å |
| 168 | Q | 97.2 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 29.2 | -174 | -63.4 | 166.9 | -61.2 | 0 | 0 | 110.7 | T145 D147 L150 V166 Q170 H184 R185 | T145-Q168 VanDerWaalsContact CB-OE1 3.26Å; T145-Q168 PolarHBondContact OG1-OE1 2.92Å; D147-Q168 PolarHBondContact O-NE2 2.82Å; D147-Q168 PolarHBondContact O-OE1 2.99Å; L150-Q168 HydrophobicContact CD2-CB 4.12Å; L150-Q168 HydrophobicContact CG-CB 4.23Å; L150-Q168 WeakPolarHBondContact O-CG 3.44Å; L150-Q168 PolarHBondContact O-NE2 3.07Å; V166-Q168 PolarHBondContact O-N 3.18Å; Q168-Q170 PolarHBondContact O-NE2 2.91Å; Q168-H184 CarbonylContact C-O 3.51Å; Q168-H184 WeakPolarHBondContact CA-O 3.13Å; Q168-H184 WeakPolarHBondContact CB-O 3.42Å; Q168-H184 PolarHBondContact N-O 2.95Å; Q168-R185 HydrophobicContact CB-CG 4.26Å |
| 169 | A | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -60.2 | 148.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q153 I165 I182 H184 A186 | Q153-A169 PolarHBondContact N-O 2.68Å; I165-A169 HydrophobicContact CG2-CB 3.72Å; A169-I182 HydrophobicContact CB-CG2 3.89Å; A169-H184 PolarHBondContact N-O 3.35Å; A169-A186 WeakPolarHBondContact CA-O 3.32Å | ||
| 170 | Q | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 24.4 Ų | 24.4 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.9 | -178.5 | -51.2 | -63.8 | -65 | 0 | 0 | 110.1 | L151 Q168 Y172 A186 E187 V188 | L151-Q170 PolarHBondContact O-NE2 3.21Å; Q168-Q170 PolarHBondContact O-NE2 2.91Å; Q170-Y172 HydrophobicContact CB-CD1 4.16Å; Q170-Y172 HydrophobicContact CB-CE1 4.04Å; Q170-A186 PolarHBondContact N-O 2.96Å; Q170-E187 HydrophobicContact CB-CG 4.06Å; Q170-E187 HydrophobicContact CG-CG 4.28Å; Q170-E187 CarbonylContact O-C 3.53Å; Q170-E187 VanDerWaalsContact O-CA 3.28Å; Q170-E187 WeakPolarHBondContact O-CA 3.41Å; Q170-V188 PolarHBondContact O-N 2.61Å |
| 171 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 115.9 | -178 | -46.4 | -63.6 | 0 | 0 | 0 | 109.6 | Q153 I154 Y155 A158 V160 I165 A175 I177 I182 V188 | Q153-I171 PolarHBondContact O-N 2.94Å; I154-I171 CarbonylContact C-O 3.47Å; I154-I171 VanDerWaalsContact CA-O 3.24Å; I154-I171 WeakPolarHBondContact CA-O 3.44Å; I154-I171 HydrophobicContact CG1-CB 4.17Å; I154-I171 HydrophobicContact CG1-CG1 4.28Å; I154-I171 HydrophobicContact CG2-CB 4.31Å; Y155-I171 PolarHBondContact N-O 2.89Å; A158-I171 HydrophobicContact CB-CG2 3.83Å; V160-I171 HydrophobicContact CG2-CG2 4.33Å; I165-I171 HydrophobicContact CD1-CD1 4.46Å; I165-I171 HydrophobicContact CD1-CG1 4.5Å; I165-I171 HydrophobicContact CG2-CD1 4.48Å; I165-I171 HydrophobicContact CG2-CG1 4.01Å; I171-A175 HydrophobicContact CG2-CB 4.28Å; I171-I177 HydrophobicContact CG2-CD1 3.32Å; I171-I177 HydrophobicContact CG2-CG1 4.32Å; I171-I182 HydrophobicContact CD1-CD1 3.85Å; I171-I182 HydrophobicContact CD1-CG2 4.17Å; I171-V188 WeakPolarHBondContact CA-O 3.43Å; I171-V188 HydrophobicContact CD1-CB 3.94Å; I171-V188 HydrophobicContact CD1-CG2 4.04Å |
| 172 | Y | 98.9 | Very high | 98.6 | Very high | 41 Ų | 41 | 25.4 Ų | 25.4 | 16% | 0.161 | 12% | 0.119 | C | C | . | . | trans | -153.8 | -171.4 | -171.2 | 59.5 | -82.9 | 0 | 0 | 0 | 113.9 | Y155 Q170 A175 E187 V188 F189 | Y155-Y172 VanDerWaalsContact CE1-CB 3.45Å; Y155-Y172 HydrophobicContact CE1-CD1 4.03Å; Y155-Y172 AromaticContact CE1-CG 3.88Å; Y155-Y172 HydrophobicContact CE1-CG 3.88Å; Y155-Y172 VanDerWaalsContact CE2-CB 3.41Å; Y155-Y172 HydrophobicContact CE2-CD2 4.2Å; Y155-Y172 AromaticContact CE2-CG 3.97Å; Y155-Y172 HydrophobicContact CE2-CG 3.97Å; Y155-Y172 AromaticContact CZ-CD1 3.93Å; Y155-Y172 AromaticContact CZ-CD2 3.89Å; Y155-Y172 AromaticContact CZ-CG 3.44Å; Y155-Y172 VanDerWaalsContact CZ-CG 3.44Å; Y155-Y172 WeakPolarHBondContact OH-CD2 3.22Å; Q170-Y172 HydrophobicContact CB-CD1 4.16Å; Q170-Y172 HydrophobicContact CB-CE1 4.04Å; Y172-A175 VanDerWaalsContact O-CB 3.24Å; Y172-A175 WeakPolarHBondContact O-CB 3.28Å; Y172-A175 PolarHBondContact O-N 3.34Å; Y172-E187 PolarHBondContact OH-OE2 3.47Å; Y172-V188 PolarHBondContact N-O 2.86Å; Y172-F189 HydrophobicContact CD1-CB 3.74Å; Y172-F189 HydrophobicContact CD2-CB 3.42Å; Y172-F189 VanDerWaalsContact CD2-CB 3.42Å; Y172-F189 HydrophobicContact CD2-CG 4.19Å; Y172-F189 HydrophobicContact CE1-CB 3.58Å; Y172-F189 AromaticContact CE1-CD1 3.92Å; Y172-F189 HydrophobicContact CE1-CD1 3.92Å; Y172-F189 AromaticContact CE1-CG 3.9Å; Y172-F189 HydrophobicContact CE1-CG 3.9Å; Y172-F189 HydrophobicContact CE2-CB 3.24Å; Y172-F189 HydrophobicContact CE2-CD1 4.23Å; Y172-F189 AromaticContact CE2-CD2 3.69Å; Y172-F189 HydrophobicContact CE2-CD2 3.69Å; Y172-F189 AromaticContact CE2-CG 3.48Å; Y172-F189 HydrophobicContact CE2-CG 3.48Å; Y172-F189 VanDerWaalsContact CE2-CG 3.48Å; Y172-F189 HydrophobicContact CG-CB 3.66Å; Y172-F189 AromaticContact CZ-CD1 3.57Å; Y172-F189 AromaticContact CZ-CD2 3.84Å; Y172-F189 AromaticContact CZ-CG 3.31Å; Y172-F189 WeakPolarHBondContact O-CA 3.37Å; Y172-F189 WeakPolarHBondContact OH-CD1 3.4Å; Y172-F189 WeakPolarHBondContact OH-CG 3.36Å | ||
| 173 | G | 98.7 | Very high | 98.6 | Very high | 12 Ų | 12 | 26 Ų | 26 | 12% | 0.124 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -137.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D156 R157 A158 | D156-G173 VanDerWaalsContact CB-O 3.3Å; D156-G173 WeakPolarHBondContact CB-O 3.04Å; D156-G173 PolarHBondContact OD2-N 2.82Å; R157-G173 CarbonylContact C-O 3.51Å; R157-G173 VanDerWaalsContact C-O 3.29Å; R157-G173 WeakPolarHBondContact CA-O 3.43Å; R157-G173 PolarHBondContact N-O 2.85Å; A158-G173 PolarHBondContact N-O 3.47Å |
| 174 | D | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 27.6 Ų | 27.6 | 17% | 0.166 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 16.3 | 172.1 | -70.8 | -82.5 | 0 | 0 | 0 | 113.2 | R157 V176 D190 F191 | R157-D174 IonicContact CZ-OD1 3.62Å; R157-D174 IonicContact CZ-OD2 3.21Å; R157-D174 IonicContact NE-OD1 3.99Å; R157-D174 PolarHBondContact NE-OD1 2.85Å; R157-D174 IonicContact NE-OD2 2.68Å; R157-D174 IonicContact NH2-OD1 3.53Å; R157-D174 PolarHBondContact NH2-OD1 2.61Å; R157-D174 IonicContact NH2-OD2 3Å; R157-D174 PolarHBondContact NH2-OD2 3.46Å; D174-V176 PolarHBondContact O-N 2.92Å; D174-D190 CarbonylContact C-O 3.53Å; D174-D190 VanDerWaalsContact C-O 3.25Å; D174-D190 WeakPolarHBondContact CA-O 3.24Å; D174-D190 WeakPolarHBondContact CB-O 3.39Å; D174-D190 PolarHBondContact N-O 3.3Å; D174-F191 HydrophobicContact CB-CD1 3.63Å; D174-F191 HydrophobicContact CB-CE1 3.94Å; D174-F191 HydrophobicContact CB-CG 4.43Å; D174-F191 VanDerWaalsContact OD2-CE1 3.3Å; D174-F191 WeakPolarHBondContact OD2-CE1 3.26Å |
| 175 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -53.1 | 136.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A158 R159 I171 Y172 I177 V188 D190 A192 | A158-A175 WeakPolarHBondContact CA-O 3.34Å; R159-A175 PolarHBondContact N-O 2.88Å; I171-A175 HydrophobicContact CG2-CB 4.28Å; Y172-A175 VanDerWaalsContact O-CB 3.24Å; Y172-A175 WeakPolarHBondContact O-CB 3.28Å; Y172-A175 PolarHBondContact O-N 3.34Å; A175-I177 HydrophobicContact CB-CD1 3.8Å; A175-V188 HydrophobicContact CB-CB 4.47Å; A175-V188 HydrophobicContact CB-CG1 3.84Å; A175-D190 PolarHBondContact N-O 3.04Å; A175-D190 VanDerWaalsContact N-O 3.13Å; A175-A192 WeakPolarHBondContact CA-O 3.44Å | ||
| 176 | V | 98.9 | Very high | 98.3 | Very high | 58 Ų | 58 | 24.9 Ų | 24.9 | 35% | 0.352 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.1 | 177.5 | -178 | 0 | 0 | 0 | 0 | 109.5 | D174 A192 S193 I194 | D174-V176 PolarHBondContact O-N 2.92Å; V176-A192 PolarHBondContact N-O 2.92Å; V176-S193 WeakPolarHBondContact O-CA 3.49Å; V176-I194 PolarHBondContact O-N 3.09Å |
| 177 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.1 | -175.5 | -61.2 | 80.6 | 0 | 0 | 0 | 108.5 | R159 V160 S161 I165 I171 A175 A180 I182 V188 I194 | R159-I177 PolarHBondContact O-N 3.2Å; V160-I177 HydrophobicContact CG2-CB 4.48Å; V160-I177 HydrophobicContact CG2-CD1 4.47Å; S161-I177 PolarHBondContact N-O 3.06Å; I165-I177 HydrophobicContact CD1-CG2 4.34Å; I171-I177 HydrophobicContact CG2-CD1 3.32Å; I171-I177 HydrophobicContact CG2-CG1 4.32Å; A175-I177 HydrophobicContact CB-CD1 3.8Å; I177-A180 HydrophobicContact CG2-CB 3.43Å; I177-A180 VanDerWaalsContact CG2-CB 3.43Å; I177-I182 HydrophobicContact CG1-CD1 3.98Å; I177-I182 HydrophobicContact CG2-CD1 3.84Å; I177-V188 HydrophobicContact CD1-CB 4.48Å; I177-V188 HydrophobicContact CD1-CG1 4.18Å; I177-V188 HydrophobicContact CG1-CG1 4.33Å; I177-I194 HydrophobicContact CG1-CB 4.35Å; I177-I194 HydrophobicContact CG1-CG1 4.23Å; I177-I194 HydrophobicContact CG2-CB 4.34Å |
| 178 | R | 98.9 | Very high | 98.4 | Very high | 113 Ų | 113 | 25 Ų | 25 | 43% | 0.426 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 129.3 | 176.5 | -168.6 | 176.2 | 176.3 | -112.6 | -0.6 | 110.6 | S161 I194 G196 | S161-R178 VanDerWaalsContact O-CA 3.31Å; S161-R178 WeakPolarHBondContact O-CA 3.43Å; R178-I194 PolarHBondContact N-O 3.3Å; R178-G196 PolarHBondContact O-N 3.29Å |
| 179 | Y | 98.7 | Very high | 98.5 | Very high | 37 Ų | 37 | 26.2 Ų | 26.2 | 15% | 0.145 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 50.3 | 60.4 | -175.2 | -58.7 | -72.5 | 0 | 0 | 0 | 112.6 | S161 A162 S163 G196 N197 E198 N201 V202 | S161-Y179 PolarHBondContact O-N 2.77Å; A162-Y179 HydrophobicContact CB-CD1 3.82Å; A162-Y179 HydrophobicContact CB-CE1 3.67Å; A162-Y179 HydrophobicContact CB-CG 4.43Å; A162-Y179 WeakPolarHBondContact O-CA 3.2Å; A162-Y179 PolarHBondContact O-N 3.35Å; S163-Y179 PolarHBondContact OG-N 3.01Å; Y179-G196 VanDerWaalsContact CB-C 3.48Å; Y179-G196 WeakPolarHBondContact CD2-O 3.35Å; Y179-G196 WeakPolarHBondContact O-CA 3.24Å; Y179-N197 WeakPolarHBondContact CB-O 3.25Å; Y179-E198 HydrophobicContact CE1-CG 4.07Å; Y179-E198 WeakPolarHBondContact OH-CG 3.49Å; Y179-N201 VanDerWaalsContact C-OD1 3.24Å; Y179-N201 WeakPolarHBondContact CA-OD1 3.44Å; Y179-N201 WeakPolarHBondContact CB-OD1 3.32Å; Y179-N201 CarbonylContact O-C 3.58Å; Y179-N201 WeakPolarHBondContact O-CA 3.42Å; Y179-N201 PolarHBondContact O-OD1 2.83Å; Y179-V202 PolarHBondContact O-N 2.85Å |
| 180 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S163 R164 I177 I182 I194 V202 | S163-A180 CarbonylContact C-O 3.15Å; S163-A180 WeakPolarHBondContact CA-O 3.42Å; S163-A180 WeakPolarHBondContact CB-O 3.4Å; S163-A180 PolarHBondContact OG-N 2.78Å; R164-A180 PolarHBondContact N-O 2.65Å; I177-A180 HydrophobicContact CG2-CB 3.43Å; I177-A180 VanDerWaalsContact CG2-CB 3.43Å; A180-I182 HydrophobicContact CB-CD1 4.19Å; A180-I182 HydrophobicContact CB-CG1 3.93Å; A180-I194 HydrophobicContact CB-CG2 3.66Å; A180-V202 CarbonylContact C-O 3.48Å; A180-V202 VanDerWaalsContact CA-O 3.29Å; A180-V202 WeakPolarHBondContact CA-O 3.25Å |
| 181 | F | 98.7 | Very high | 98.5 | Very high | 40 Ų | 40 | 34 Ų | 34 | 18% | 0.175 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 107.6 | 162.9 | -176.3 | -140.2 | 0 | 0 | 0 | 108.5 | R164 V166 E183 V202 W203 L204 | R164-F181 HydrophobicContact CB-CD2 3.65Å; R164-F181 HydrophobicContact CB-CE2 4.29Å; R164-F181 WeakPolarHBondContact O-CA 3.35Å; V166-F181 HydrophobicContact CB-CE2 4.22Å; V166-F181 HydrophobicContact CG2-CD2 4.42Å; V166-F181 HydrophobicContact CG2-CE2 3.75Å; F181-E183 HydrophobicContact CE2-CB 4.31Å; F181-E183 HydrophobicContact CZ-CB 4.24Å; F181-E183 HydrophobicContact CZ-CG 4.45Å; F181-E183 WeakPolarHBondContact CZ-OE2 3.13Å; F181-V202 PolarHBondContact N-O 3.36Å; F181-W203 HydrophobicContact CB-CG 4.5Å; F181-W203 HydrophobicContact CD1-CD2 4.18Å; F181-W203 HydrophobicContact CD1-CE3 4.39Å; F181-W203 WeakPolarHBondContact O-CA 3.24Å; F181-L204 PolarHBondContact O-N 3.23Å |
| 182 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.8 | -176.7 | -52.3 | -175.4 | 0 | 0 | 0 | 108.4 | R164 I165 V166 A169 I171 I177 A180 A186 V188 L204 | R164-I182 PolarHBondContact O-N 3.46Å; I165-I182 CarbonylContact C-O 3.28Å; I165-I182 WeakPolarHBondContact CA-O 3.32Å; I165-I182 HydrophobicContact CD1-CB 3.81Å; I165-I182 HydrophobicContact CD1-CD1 3.82Å; I165-I182 HydrophobicContact CD1-CG1 3.91Å; V166-I182 PolarHBondContact N-O 3.02Å; A169-I182 HydrophobicContact CB-CG2 3.89Å; I171-I182 HydrophobicContact CD1-CD1 3.85Å; I171-I182 HydrophobicContact CD1-CG2 4.17Å; I177-I182 HydrophobicContact CG1-CD1 3.98Å; I177-I182 HydrophobicContact CG2-CD1 3.84Å; A180-I182 HydrophobicContact CB-CD1 4.19Å; A180-I182 HydrophobicContact CB-CG1 3.93Å; I182-A186 HydrophobicContact CG2-CB 3.7Å; I182-V188 HydrophobicContact CD1-CG2 3.75Å; I182-L204 CarbonylContact C-O 3.53Å; I182-L204 VanDerWaalsContact CA-O 3.29Å; I182-L204 WeakPolarHBondContact CA-O 3.42Å; I182-L204 HydrophobicContact CD1-CD2 4.44Å; I182-L204 HydrophobicContact CG1-CB 4.28Å; I182-L204 HydrophobicContact CG2-CB 4.16Å |
| 183 | E | 97.9 | Very high | 98.5 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | trans | -139.1 | 173.9 | -172.2 | 73.2 | 174.3 | 161.6 | 0 | 0 | 114.6 | V166 H167 F181 R185 A186 L204 C205 | V166-E183 HydrophobicContact CB-CB 4.34Å; V166-E183 WeakPolarHBondContact O-CA 3.22Å; H167-E183 IonicContact CE1-OE2 3.9Å; H167-E183 PolarHBondContact CE1-OE2 3.14Å; H167-E183 IonicContact ND1-OE2 3.92Å; F181-E183 HydrophobicContact CE2-CB 4.31Å; F181-E183 HydrophobicContact CZ-CB 4.24Å; F181-E183 HydrophobicContact CZ-CG 4.45Å; F181-E183 WeakPolarHBondContact CZ-OE2 3.13Å; E183-R185 PolarHBondContact O-N 2.91Å; E183-A186 WeakPolarHBondContact O-CB 3.48Å; E183-A186 PolarHBondContact O-N 2.98Å; E183-L204 PolarHBondContact N-O 3.28Å; E183-C205 HydrophobicContact CG-CB 3.49Å; E183-C205 VanDerWaalsContact CG-CB 3.49Å | ||
| 184 | H | 96.2 | Very high | 98.5 | Very high | 38 Ų | 38 | 32.2 Ų | 32.2 | 18% | 0.176 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -117.3 | -176.6 | -57.7 | 145.4 | 0 | 0 | 0 | 111.9 | T145 H167 Q168 A169 D206 | T145-H184 HydrophobicContact CG2-CB 4.03Å; H167-H184 AromaticContact CE1-CD2 3.68Å; H167-H184 AromaticContact CE1-NE2 3.78Å; H167-H184 AromaticContact CG-CD2 3.96Å; H167-H184 AromaticContact ND1-CD2 3.11Å; H167-H184 PolarHBondContact ND1-CD2 3.06Å; H167-H184 AromaticContact ND1-CG 3.99Å; H167-H184 PolarHBondContact ND1-N 3.15Å; H167-H184 AromaticContact ND1-NE2 3.68Å; Q168-H184 CarbonylContact C-O 3.51Å; Q168-H184 WeakPolarHBondContact CA-O 3.13Å; Q168-H184 WeakPolarHBondContact CB-O 3.42Å; Q168-H184 PolarHBondContact N-O 2.95Å; A169-H184 PolarHBondContact N-O 3.35Å; H184-D206 IonicContact CE1-OD1 3.5Å; H184-D206 PolarHBondContact CE1-OD1 3.05Å; H184-D206 IonicContact CG-OD1 3.79Å; H184-D206 PolarHBondContact ND1-N 3.03Å; H184-D206 IonicContact ND1-OD1 2.61Å; H184-D206 PolarHBondContact ND1-OD1 2.88Å |
| 185 | R | 96.4 | Very high | 98.5 | Very high | 66 Ų | 66 | 34.3 Ų | 34.3 | 25% | 0.249 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 26.7 | 176.1 | -60.7 | -165.4 | -59.3 | -83.5 | -1.7 | 111.3 | T145 P146 L150 Q168 E183 D206 C207 | T145-R185 HydrophobicContact CG2-CG 4.17Å; T145-R185 PolarHBondContact OG1-NH1 2.87Å; P146-R185 VanDerWaalsContact CG-NH1 3.34Å; L150-R185 HydrophobicContact CD2-CG 3.93Å; Q168-R185 HydrophobicContact CB-CG 4.26Å; E183-R185 PolarHBondContact O-N 2.91Å; R185-D206 CarbonylContact C-O 3.59Å; R185-D206 WeakPolarHBondContact CA-O 3.41Å; R185-D206 WeakPolarHBondContact CB-O 3.16Å; R185-D206 PolarHBondContact N-O 2.83Å; R185-C207 PolarHBondContact NH2-SG 2.7Å |
| 186 | A | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -61 | 143.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A169 Q170 I182 E183 L204 D206 A208 | A169-A186 WeakPolarHBondContact CA-O 3.32Å; Q170-A186 PolarHBondContact N-O 2.96Å; I182-A186 HydrophobicContact CG2-CB 3.7Å; E183-A186 WeakPolarHBondContact O-CB 3.48Å; E183-A186 PolarHBondContact O-N 2.98Å; A186-L204 HydrophobicContact CB-CB 4.04Å; A186-D206 PolarHBondContact N-O 2.86Å; A186-A208 CarbonylContact C-O 3.53Å; A186-A208 VanDerWaalsContact CA-O 3.24Å; A186-A208 WeakPolarHBondContact CA-O 3.29Å | ||
| 187 | E | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.6 | -176.3 | -55.3 | -172.1 | -123.4 | 0 | 0 | 111.1 | Q170 Y172 F189 A208 K209 V210 | Q170-E187 HydrophobicContact CB-CG 4.06Å; Q170-E187 HydrophobicContact CG-CG 4.28Å; Q170-E187 CarbonylContact O-C 3.53Å; Q170-E187 VanDerWaalsContact O-CA 3.28Å; Q170-E187 WeakPolarHBondContact O-CA 3.41Å; Y172-E187 PolarHBondContact OH-OE2 3.47Å; E187-F189 HydrophobicContact CB-CD1 4.07Å; E187-F189 HydrophobicContact CB-CE1 4.23Å; E187-A208 PolarHBondContact N-O 2.82Å; E187-K209 HydrophobicContact CB-CG 4.25Å; E187-K209 CarbonylContact O-C 3.58Å; E187-K209 WeakPolarHBondContact O-CA 3.29Å; E187-K209 WeakPolarHBondContact OE1-CE 3.36Å; E187-K209 IonicContact OE1-NZ 3.01Å; E187-K209 PolarHBondContact OE1-NZ 2.91Å; E187-V210 PolarHBondContact O-N 2.81Å |
| 188 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 118.6 | 170.9 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | Q170 I171 Y172 A175 I177 I182 A192 I194 L204 V210 | Q170-V188 PolarHBondContact O-N 2.61Å; I171-V188 WeakPolarHBondContact CA-O 3.43Å; I171-V188 HydrophobicContact CD1-CB 3.94Å; I171-V188 HydrophobicContact CD1-CG2 4.04Å; Y172-V188 PolarHBondContact N-O 2.86Å; A175-V188 HydrophobicContact CB-CB 4.47Å; A175-V188 HydrophobicContact CB-CG1 3.84Å; I177-V188 HydrophobicContact CD1-CB 4.48Å; I177-V188 HydrophobicContact CD1-CG1 4.18Å; I177-V188 HydrophobicContact CG1-CG1 4.33Å; I182-V188 HydrophobicContact CD1-CG2 3.75Å; V188-A192 HydrophobicContact CG1-CB 3.72Å; V188-I194 HydrophobicContact CG1-CD1 4.32Å; V188-I194 HydrophobicContact CG1-CG1 3.87Å; V188-I194 HydrophobicContact CG2-CD1 4.48Å; V188-I194 HydrophobicContact CG2-CG1 4.17Å; V188-L204 HydrophobicContact CG2-CD2 3.39Å; V188-V210 VanDerWaalsContact CA-O 3.32Å; V188-V210 WeakPolarHBondContact CA-O 3.39Å; V188-V210 HydrophobicContact CG1-CB 4.46Å |
| 189 | F | 98.9 | Very high | 98.1 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | trans | -151.5 | -173 | -171.5 | 64.9 | -85 | 0 | 0 | 0 | 114.6 | Y172 E187 F191 A192 V210 Y211 | Y172-F189 HydrophobicContact CD1-CB 3.74Å; Y172-F189 HydrophobicContact CD2-CB 3.42Å; Y172-F189 VanDerWaalsContact CD2-CB 3.42Å; Y172-F189 HydrophobicContact CD2-CG 4.19Å; Y172-F189 HydrophobicContact CE1-CB 3.58Å; Y172-F189 AromaticContact CE1-CD1 3.92Å; Y172-F189 HydrophobicContact CE1-CD1 3.92Å; Y172-F189 AromaticContact CE1-CG 3.9Å; Y172-F189 HydrophobicContact CE1-CG 3.9Å; Y172-F189 HydrophobicContact CE2-CB 3.24Å; Y172-F189 HydrophobicContact CE2-CD1 4.23Å; Y172-F189 AromaticContact CE2-CD2 3.69Å; Y172-F189 HydrophobicContact CE2-CD2 3.69Å; Y172-F189 AromaticContact CE2-CG 3.48Å; Y172-F189 HydrophobicContact CE2-CG 3.48Å; Y172-F189 VanDerWaalsContact CE2-CG 3.48Å; Y172-F189 HydrophobicContact CG-CB 3.66Å; Y172-F189 AromaticContact CZ-CD1 3.57Å; Y172-F189 AromaticContact CZ-CD2 3.84Å; Y172-F189 AromaticContact CZ-CG 3.31Å; Y172-F189 WeakPolarHBondContact O-CA 3.37Å; Y172-F189 WeakPolarHBondContact OH-CD1 3.4Å; Y172-F189 WeakPolarHBondContact OH-CG 3.36Å; E187-F189 HydrophobicContact CB-CD1 4.07Å; E187-F189 HydrophobicContact CB-CE1 4.23Å; F189-F191 PolarHBondContact O-N 3Å; F189-A192 WeakPolarHBondContact O-CB 3.45Å; F189-A192 PolarHBondContact O-N 2.68Å; F189-A192 VanDerWaalsContact O-N 3.12Å; F189-V210 PolarHBondContact N-O 3.27Å; F189-Y211 VanDerWaalsContact CE1-CB 3.47Å; F189-Y211 HydrophobicContact CE1-CD1 4.04Å; F189-Y211 AromaticContact CE1-CG 3.93Å; F189-Y211 HydrophobicContact CE1-CG 3.93Å; F189-Y211 HydrophobicContact CE2-CD2 4.15Å; F189-Y211 AromaticContact CE2-CG 3.86Å; F189-Y211 HydrophobicContact CE2-CG 3.86Å; F189-Y211 AromaticContact CZ-CD1 3.84Å; F189-Y211 HydrophobicContact CZ-CD1 3.84Å; F189-Y211 AromaticContact CZ-CD2 3.99Å; F189-Y211 HydrophobicContact CZ-CD2 3.99Å; F189-Y211 AromaticContact CZ-CG 3.43Å; F189-Y211 HydrophobicContact CZ-CG 3.43Å; F189-Y211 VanDerWaalsContact CZ-CG 3.43Å | ||
| 190 | D | 98.8 | Very high | 98.1 | Very high | 66 Ų | 66 | 42.2 Ų | 42.2 | 35% | 0.353 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -123.8 | -168.8 | -59.1 | -32.8 | 0 | 0 | 0 | 111 | D174 A175 G212 | D174-D190 CarbonylContact C-O 3.53Å; D174-D190 VanDerWaalsContact C-O 3.25Å; D174-D190 WeakPolarHBondContact CA-O 3.24Å; D174-D190 WeakPolarHBondContact CB-O 3.39Å; D174-D190 PolarHBondContact N-O 3.3Å; A175-D190 PolarHBondContact N-O 3.04Å; A175-D190 VanDerWaalsContact N-O 3.13Å; D190-G212 WeakPolarHBondContact CB-O 3.18Å; D190-G212 PolarHBondContact OD2-N 2.67Å |
| 191 | F | 98.8 | Very high | 98 | Very high | 111 Ų | 111 | 44 Ų | 44 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 20.9 | 177.5 | -59.1 | -83.3 | 0 | 0 | 0 | 112.3 | D174 F189 G212 H213 | D174-F191 HydrophobicContact CB-CD1 3.63Å; D174-F191 HydrophobicContact CB-CE1 3.94Å; D174-F191 HydrophobicContact CB-CG 4.43Å; D174-F191 VanDerWaalsContact OD2-CE1 3.3Å; D174-F191 WeakPolarHBondContact OD2-CE1 3.26Å; F189-F191 PolarHBondContact O-N 3Å; F191-G212 CarbonylContact C-O 3.6Å; F191-G212 WeakPolarHBondContact CA-O 3.42Å; F191-G212 WeakPolarHBondContact CB-O 3.4Å; F191-G212 PolarHBondContact N-O 3.38Å; F191-H213 WeakPolarHBondContact CB-ND1 3.3Å; F191-H213 AromaticContact CD2-CE1 3.39Å; F191-H213 WeakPolarHBondContact CD2-CE1 3.4Å; F191-H213 AromaticContact CD2-ND1 3.95Å; F191-H213 AromaticContact CD2-NE2 3.82Å; F191-H213 AromaticContact CG-CE1 3.58Å; F191-H213 AromaticContact CG-ND1 3.8Å |
| 192 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -59.3 | 140.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A175 V176 V188 F189 V210 G212 A214 | A175-A192 WeakPolarHBondContact CA-O 3.44Å; V176-A192 PolarHBondContact N-O 2.92Å; V188-A192 HydrophobicContact CG1-CB 3.72Å; F189-A192 WeakPolarHBondContact O-CB 3.45Å; F189-A192 PolarHBondContact O-N 2.68Å; F189-A192 VanDerWaalsContact O-N 3.12Å; A192-V210 HydrophobicContact CB-CB 4.38Å; A192-V210 HydrophobicContact CB-CG1 3.82Å; A192-V210 WeakPolarHBondContact CB-O 3.44Å; A192-G212 PolarHBondContact N-O 3.06Å; A192-G212 VanDerWaalsContact N-O 3.12Å; A192-A214 WeakPolarHBondContact CA-O 3.5Å | ||
| 193 | S | 98.9 | Very high | 98 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 12% | 0.119 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.8 | 176.2 | -165 | 0 | 0 | 0 | 0 | 111.1 | V176 E195 A214 Q215 V216 | V176-S193 WeakPolarHBondContact O-CA 3.49Å; S193-E195 WeakPolarHBondContact OG-CG 3.44Å; S193-E195 PolarHBondContact OG-OE1 3.13Å; S193-A214 PolarHBondContact N-O 2.87Å; S193-Q215 WeakPolarHBondContact O-CA 3.36Å; S193-V216 PolarHBondContact O-N 2.86Å |
| 194 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113.8 | 172.9 | -50.6 | -58.9 | 0 | 0 | 0 | 107.9 | V176 I177 R178 A180 V188 V202 L204 V210 V216 | V176-I194 PolarHBondContact O-N 3.09Å; I177-I194 HydrophobicContact CG1-CB 4.35Å; I177-I194 HydrophobicContact CG1-CG1 4.23Å; I177-I194 HydrophobicContact CG2-CB 4.34Å; R178-I194 PolarHBondContact N-O 3.3Å; A180-I194 HydrophobicContact CB-CG2 3.66Å; V188-I194 HydrophobicContact CG1-CD1 4.32Å; V188-I194 HydrophobicContact CG1-CG1 3.87Å; V188-I194 HydrophobicContact CG2-CD1 4.48Å; V188-I194 HydrophobicContact CG2-CG1 4.17Å; I194-V202 HydrophobicContact CG2-CB 3.59Å; I194-V202 HydrophobicContact CG2-CG1 3.6Å; I194-V202 HydrophobicContact CG2-CG2 4.12Å; I194-L204 HydrophobicContact CD1-CD1 4.21Å; I194-L204 HydrophobicContact CD1-CD2 4.14Å; I194-L204 HydrophobicContact CG2-CD1 4.28Å; I194-V210 HydrophobicContact CD1-CB 3.97Å; I194-V210 HydrophobicContact CD1-CG1 3.83Å; I194-V210 HydrophobicContact CD1-CG2 3.96Å; I194-V216 WeakPolarHBondContact CA-O 3.39Å; I194-V216 HydrophobicContact CD1-CB 3.83Å; I194-V216 HydrophobicContact CD1-CG2 3.94Å |
| 195 | E | 98.7 | Very high | 98.1 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 35% | 0.346 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 90.3 | -172.2 | -67 | 169.1 | -160.2 | 0 | 0 | 110.6 | S193 V216 K217 A218 | S193-E195 WeakPolarHBondContact OG-CG 3.44Å; S193-E195 PolarHBondContact OG-OE1 3.13Å; E195-V216 PolarHBondContact N-O 2.9Å; E195-K217 HydrophobicContact CB-CG 4.16Å; E195-K217 CarbonylContact O-C 3.54Å; E195-K217 VanDerWaalsContact O-CA 3.26Å; E195-K217 WeakPolarHBondContact O-CA 3.21Å; E195-K217 IonicContact OE1-NZ 3.43Å; E195-K217 WeakPolarHBondContact OE2-CD 3.35Å; E195-K217 WeakPolarHBondContact OE2-CE 3.25Å; E195-K217 IonicContact OE2-NZ 3.72Å; E195-K217 PolarHBondContact OE2-NZ 3Å; E195-A218 PolarHBondContact O-N 3.3Å |
| 196 | G | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | trans | -82.3 | -166 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R178 Y179 N200 | R178-G196 PolarHBondContact O-N 3.29Å; Y179-G196 VanDerWaalsContact CB-C 3.48Å; Y179-G196 WeakPolarHBondContact CD2-O 3.35Å; Y179-G196 WeakPolarHBondContact O-CA 3.24Å; G196-N200 CarbonylContact C-O 3.58Å; G196-N200 VanDerWaalsContact CA-O 3.25Å; G196-N200 WeakPolarHBondContact CA-O 3.17Å | ||
| 197 | N | 97.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | trans | -142.6 | -177.2 | 171.4 | 60.6 | 59.8 | 0 | 0 | 0 | 111 | Y179 E199 N200 G219 | Y179-N197 WeakPolarHBondContact CB-O 3.25Å; N197-E199 PolarHBondContact O-N 2.87Å; N197-E199 PolarHBondContact OD1-N 3.35Å; N197-N200 PolarHBondContact N-O 3.12Å; N197-N200 CarbonylContact O-C 3.54Å; N197-N200 PolarHBondContact O-N 3.42Å; N197-N200 PolarHBondContact OD1-N 2.9Å; N197-G219 PolarHBondContact ND2-O 3.5Å | ||
| 198 | E | 95.4 | Very high | 97.9 | Very high | 169 Ų | 169 | 42.6 Ų | 42.6 | 79% | 0.79 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -60.6 | -26 | -175.4 | -65.3 | -176.5 | 173 | 0 | 0 | 113.7 | Y179 | Y179-E198 HydrophobicContact CE1-CG 4.07Å; Y179-E198 WeakPolarHBondContact OH-CG 3.49Å |
| 199 | E | 95.8 | Very high | 97.9 | Very high | 153 Ų | 153 | 45.6 Ų | 45.6 | 72% | 0.715 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -98 | -40.3 | -179.3 | -61.4 | -178 | 173.5 | 0 | 0 | 111.2 | N197 | N197-E199 PolarHBondContact O-N 2.87Å; N197-E199 PolarHBondContact OD1-N 3.35Å |
| 200 | N | 97.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | trans | -118.2 | 99.5 | -171.5 | -63.3 | -36.4 | 0 | 0 | 0 | 110.9 | G196 N197 A218 G219 E221 I225 | G196-N200 CarbonylContact C-O 3.58Å; G196-N200 VanDerWaalsContact CA-O 3.25Å; G196-N200 WeakPolarHBondContact CA-O 3.17Å; N197-N200 PolarHBondContact N-O 3.12Å; N197-N200 CarbonylContact O-C 3.54Å; N197-N200 PolarHBondContact O-N 3.42Å; N197-N200 PolarHBondContact OD1-N 2.9Å; N200-A218 HydrophobicContact CB-CB 3.64Å; N200-A218 VanDerWaalsContact O-CB 3.3Å; N200-A218 WeakPolarHBondContact O-CB 3.12Å; N200-G219 PolarHBondContact ND2-O 3.05Å; N200-E221 PolarHBondContact ND2-O 3.04Å; N200-I225 HydrophobicContact CB-CG1 3.8Å | ||
| 201 | N | 98 | Very high | 97.9 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | trans | -72.4 | 142.3 | 166.8 | -77.2 | -27.9 | 0 | 0 | 0 | 110.2 | Y179 I225 | Y179-N201 VanDerWaalsContact C-OD1 3.24Å; Y179-N201 WeakPolarHBondContact CA-OD1 3.44Å; Y179-N201 WeakPolarHBondContact CB-OD1 3.32Å; Y179-N201 CarbonylContact O-C 3.58Å; Y179-N201 WeakPolarHBondContact O-CA 3.42Å; Y179-N201 PolarHBondContact O-OD1 2.83Å; N201-I225 WeakPolarHBondContact O-CG2 3.28Å | ||
| 202 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.4 | 167.5 | 176.1 | 0 | 0 | 0 | 0 | 110 | Y179 A180 F181 I194 L204 V216 A218 P226 | Y179-V202 PolarHBondContact O-N 2.85Å; A180-V202 CarbonylContact C-O 3.48Å; A180-V202 VanDerWaalsContact CA-O 3.29Å; A180-V202 WeakPolarHBondContact CA-O 3.25Å; F181-V202 PolarHBondContact N-O 3.36Å; I194-V202 HydrophobicContact CG2-CB 3.59Å; I194-V202 HydrophobicContact CG2-CG1 3.6Å; I194-V202 HydrophobicContact CG2-CG2 4.12Å; V202-L204 HydrophobicContact CG1-CD1 3.54Å; V202-V216 HydrophobicContact CG1-CB 4.23Å; V202-V216 HydrophobicContact CG1-CG1 3.51Å; V202-A218 HydrophobicContact CG2-CB 4.2Å; V202-P226 HydrophobicContact CG1-CB 4.26Å; V202-P226 HydrophobicContact CG2-CG 4.15Å |
| 203 | W | 98.7 | Very high | 97.9 | Very high | 108 Ų | 108 | 42.6 Ų | 42.6 | 41% | 0.409 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.9 | -175.3 | -73.6 | 37.2 | 0 | 0 | 0 | 111.6 | F181 I225 P226 T227 I228 | F181-W203 HydrophobicContact CB-CG 4.5Å; F181-W203 HydrophobicContact CD1-CD2 4.18Å; F181-W203 HydrophobicContact CD1-CE3 4.39Å; F181-W203 WeakPolarHBondContact O-CA 3.24Å; W203-I225 HydrophobicContact CG-CG2 4.24Å; W203-P226 PolarHBondContact N-O 2.97Å; W203-T227 HydrophobicContact CB-CG2 4.34Å; W203-T227 CarbonylContact O-C 3.56Å; W203-T227 WeakPolarHBondContact O-CA 3.41Å; W203-I228 PolarHBondContact O-N 2.74Å |
| 204 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.1 | 171.9 | -76.1 | 68.9 | 0 | 0 | 0 | 108.4 | F181 I182 E183 A186 V188 I194 V202 V210 I228 | F181-L204 PolarHBondContact O-N 3.23Å; I182-L204 CarbonylContact C-O 3.53Å; I182-L204 VanDerWaalsContact CA-O 3.29Å; I182-L204 WeakPolarHBondContact CA-O 3.42Å; I182-L204 HydrophobicContact CD1-CD2 4.44Å; I182-L204 HydrophobicContact CG1-CB 4.28Å; I182-L204 HydrophobicContact CG2-CB 4.16Å; E183-L204 PolarHBondContact N-O 3.28Å; A186-L204 HydrophobicContact CB-CB 4.04Å; V188-L204 HydrophobicContact CG2-CD2 3.39Å; I194-L204 HydrophobicContact CD1-CD1 4.21Å; I194-L204 HydrophobicContact CD1-CD2 4.14Å; I194-L204 HydrophobicContact CG2-CD1 4.28Å; V202-L204 HydrophobicContact CG1-CD1 3.54Å; L204-V210 HydrophobicContact CD2-CB 4.34Å; L204-V210 HydrophobicContact CD2-CG2 3.57Å; L204-V210 HydrophobicContact CG-CG2 4.31Å; L204-I228 WeakPolarHBondContact CA-O 3.46Å; L204-I228 HydrophobicContact CG-CB 4.5Å; L204-I228 HydrophobicContact CG-CD1 4.46Å |
| 205 | C | 96.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | trans | -138 | 174.2 | -178.9 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | E183 C207 A208 I228 H229 | E183-C205 HydrophobicContact CG-CB 3.49Å; E183-C205 VanDerWaalsContact CG-CB 3.49Å; C205-C207 PolarHBondContact O-N 3.03Å; C205-A208 WeakPolarHBondContact O-CB 3.29Å; C205-A208 PolarHBondContact O-N 3Å; C205-A208 VanDerWaalsContact O-N 3.09Å; C205-I228 PolarHBondContact N-O 3.17Å; C205-H229 PolarHBondContact SG-CD2 2.78Å; C205-H229 PolarHBondContact SG-NE2 3.04Å; C205-H229 VanDerWaalsContact SG-NE2 3.35Å | ||
| 206 | D | 94.8 | Very high | 97.9 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -109.5 | -179.3 | -54.4 | -39.3 | 0 | 0 | 0 | 113.9 | H184 R185 A186 Y230 | H184-D206 IonicContact CE1-OD1 3.5Å; H184-D206 PolarHBondContact CE1-OD1 3.05Å; H184-D206 IonicContact CG-OD1 3.79Å; H184-D206 PolarHBondContact ND1-N 3.03Å; H184-D206 IonicContact ND1-OD1 2.61Å; H184-D206 PolarHBondContact ND1-OD1 2.88Å; R185-D206 CarbonylContact C-O 3.59Å; R185-D206 WeakPolarHBondContact CA-O 3.41Å; R185-D206 WeakPolarHBondContact CB-O 3.16Å; R185-D206 PolarHBondContact N-O 2.83Å; A186-D206 PolarHBondContact N-O 2.86Å; D206-Y230 WeakPolarHBondContact OD2-CD1 3.27Å; D206-Y230 WeakPolarHBondContact OD2-CE1 3.19Å; D206-Y230 PolarHBondContact OD2-N 2.89Å; D206-Y230 VanDerWaalsContact OD2-N 3.15Å |
| 207 | C | 96.1 | Very high | 97.9 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 22.6 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | R185 C205 K209 Y230 | R185-C207 PolarHBondContact NH2-SG 2.7Å; C205-C207 PolarHBondContact O-N 3.03Å; C207-K209 WeakPolarHBondContact O-CG 3.22Å; C207-Y230 CarbonylContact C-O 3.58Å; C207-Y230 WeakPolarHBondContact CA-O 3.45Å; C207-Y230 WeakPolarHBondContact CB-O 3.45Å; C207-Y230 PolarHBondContact N-O 2.78Å |
| 208 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -61.6 | 141.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A186 E187 C205 I228 Y230 S232 | A186-A208 CarbonylContact C-O 3.53Å; A186-A208 VanDerWaalsContact CA-O 3.24Å; A186-A208 WeakPolarHBondContact CA-O 3.29Å; E187-A208 PolarHBondContact N-O 2.82Å; C205-A208 WeakPolarHBondContact O-CB 3.29Å; C205-A208 PolarHBondContact O-N 3Å; C205-A208 VanDerWaalsContact O-N 3.09Å; A208-I228 HydrophobicContact CB-CB 4.16Å; A208-I228 HydrophobicContact CB-CG2 3.68Å; A208-I228 VanDerWaalsContact CB-O 3.29Å; A208-I228 WeakPolarHBondContact CB-O 3.31Å; A208-Y230 PolarHBondContact N-O 2.88Å; A208-S232 VanDerWaalsContact CA-O 3.25Å; A208-S232 WeakPolarHBondContact CA-O 3.17Å | ||
| 209 | K | 98.8 | Very high | 98 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.8 | 180 | -50.3 | -166.1 | -177.5 | -153.5 | 0 | 112 | E187 C207 Y211 S232 Q233 V234 | E187-K209 HydrophobicContact CB-CG 4.25Å; E187-K209 CarbonylContact O-C 3.58Å; E187-K209 WeakPolarHBondContact O-CA 3.29Å; E187-K209 WeakPolarHBondContact OE1-CE 3.36Å; E187-K209 IonicContact OE1-NZ 3.01Å; E187-K209 PolarHBondContact OE1-NZ 2.91Å; C207-K209 WeakPolarHBondContact O-CG 3.22Å; K209-Y211 HydrophobicContact CB-CD1 4.02Å; K209-Y211 HydrophobicContact CB-CE1 4.26Å; K209-S232 PolarHBondContact N-O 2.84Å; K209-Q233 HydrophobicContact CB-CG 4.14Å; K209-Q233 HydrophobicContact CG-CG 4.45Å; K209-Q233 CarbonylContact O-C 3.6Å; K209-Q233 VanDerWaalsContact O-CA 3.28Å; K209-Q233 WeakPolarHBondContact O-CA 3.49Å; K209-V234 PolarHBondContact O-N 3.31Å |
| 210 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.2 | 169.2 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | E187 V188 F189 A192 I194 L204 A214 V216 I228 V234 | E187-V210 PolarHBondContact O-N 2.81Å; V188-V210 VanDerWaalsContact CA-O 3.32Å; V188-V210 WeakPolarHBondContact CA-O 3.39Å; V188-V210 HydrophobicContact CG1-CB 4.46Å; F189-V210 PolarHBondContact N-O 3.27Å; A192-V210 HydrophobicContact CB-CB 4.38Å; A192-V210 HydrophobicContact CB-CG1 3.82Å; A192-V210 WeakPolarHBondContact CB-O 3.44Å; I194-V210 HydrophobicContact CD1-CB 3.97Å; I194-V210 HydrophobicContact CD1-CG1 3.83Å; I194-V210 HydrophobicContact CD1-CG2 3.96Å; L204-V210 HydrophobicContact CD2-CB 4.34Å; L204-V210 HydrophobicContact CD2-CG2 3.57Å; L204-V210 HydrophobicContact CG-CG2 4.31Å; V210-A214 HydrophobicContact CG1-CB 3.71Å; V210-V216 HydrophobicContact CG1-CG2 3.89Å; V210-V216 HydrophobicContact CG2-CG2 3.92Å; V210-I228 HydrophobicContact CG2-CD1 3.83Å; V210-V234 VanDerWaalsContact CA-O 3.25Å; V210-V234 WeakPolarHBondContact CA-O 3.33Å; V210-V234 HydrophobicContact CG1-CB 4.34Å; V210-V234 HydrophobicContact CG2-CB 4.32Å |
| 211 | Y | 98.9 | Very high | 97.7 | Very high | 57 Ų | 57 | 41 Ų | 41 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | trans | -155.1 | -178 | -170.8 | 64.8 | -85.4 | 0 | 0 | 0 | 113.7 | F189 K209 A214 Q233 V234 A235 E236 | F189-Y211 VanDerWaalsContact CE1-CB 3.47Å; F189-Y211 HydrophobicContact CE1-CD1 4.04Å; F189-Y211 AromaticContact CE1-CG 3.93Å; F189-Y211 HydrophobicContact CE1-CG 3.93Å; F189-Y211 HydrophobicContact CE2-CD2 4.15Å; F189-Y211 AromaticContact CE2-CG 3.86Å; F189-Y211 HydrophobicContact CE2-CG 3.86Å; F189-Y211 AromaticContact CZ-CD1 3.84Å; F189-Y211 HydrophobicContact CZ-CD1 3.84Å; F189-Y211 AromaticContact CZ-CD2 3.99Å; F189-Y211 HydrophobicContact CZ-CD2 3.99Å; F189-Y211 AromaticContact CZ-CG 3.43Å; F189-Y211 HydrophobicContact CZ-CG 3.43Å; F189-Y211 VanDerWaalsContact CZ-CG 3.43Å; K209-Y211 HydrophobicContact CB-CD1 4.02Å; K209-Y211 HydrophobicContact CB-CE1 4.26Å; Y211-A214 WeakPolarHBondContact O-CB 3.4Å; Y211-A214 PolarHBondContact O-N 3.39Å; Y211-Q233 HydrophobicContact CE1-CB 4.35Å; Y211-Q233 PolarHBondContact OH-OE1 3.01Å; Y211-V234 PolarHBondContact N-O 3.43Å; Y211-A235 HydrophobicContact CD1-CB 4.23Å; Y211-A235 HydrophobicContact CD2-CB 4.15Å; Y211-A235 HydrophobicContact CE1-CB 3.67Å; Y211-A235 HydrophobicContact CE2-CB 3.56Å; Y211-A235 HydrophobicContact CG-CB 4.45Å; Y211-A235 WeakPolarHBondContact O-CA 3.29Å; Y211-E236 PolarHBondContact O-N 2.81Å | ||
| 212 | G | 98.7 | Very high | 97.3 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -131.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D190 F191 A192 | D190-G212 WeakPolarHBondContact CB-O 3.18Å; D190-G212 PolarHBondContact OD2-N 2.67Å; F191-G212 CarbonylContact C-O 3.6Å; F191-G212 WeakPolarHBondContact CA-O 3.42Å; F191-G212 WeakPolarHBondContact CB-O 3.4Å; F191-G212 PolarHBondContact N-O 3.38Å; A192-G212 PolarHBondContact N-O 3.06Å; A192-G212 VanDerWaalsContact N-O 3.12Å |
| 213 | H | 98.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 19.1 | 171.2 | -67 | -79.6 | 0 | 0 | 0 | 112.4 | F191 E236 Y237 | F191-H213 WeakPolarHBondContact CB-ND1 3.3Å; F191-H213 AromaticContact CD2-CE1 3.39Å; F191-H213 WeakPolarHBondContact CD2-CE1 3.4Å; F191-H213 AromaticContact CD2-ND1 3.95Å; F191-H213 AromaticContact CD2-NE2 3.82Å; F191-H213 AromaticContact CG-CE1 3.58Å; F191-H213 AromaticContact CG-ND1 3.8Å; H213-E236 CarbonylContact C-O 3.56Å; H213-E236 WeakPolarHBondContact CA-O 3.38Å; H213-E236 WeakPolarHBondContact CB-O 3.06Å; H213-E236 PolarHBondContact N-O 2.89Å; H213-Y237 HydrophobicContact CB-CD1 3.59Å; H213-Y237 HydrophobicContact CB-CE1 3.7Å; H213-Y237 HydrophobicContact CB-CG 4.38Å; H213-Y237 AromaticContact CD2-CE1 3.36Å; H213-Y237 WeakPolarHBondContact CD2-CE1 3.34Å; H213-Y237 AromaticContact CD2-CZ 3.55Å; H213-Y237 AromaticContact CG-CE1 3.6Å |
| 214 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -59 | 145.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A192 S193 V210 Y211 V234 E236 A238 | A192-A214 WeakPolarHBondContact CA-O 3.5Å; S193-A214 PolarHBondContact N-O 2.87Å; V210-A214 HydrophobicContact CG1-CB 3.71Å; Y211-A214 WeakPolarHBondContact O-CB 3.4Å; Y211-A214 PolarHBondContact O-N 3.39Å; A214-V234 HydrophobicContact CB-CB 4.38Å; A214-V234 HydrophobicContact CB-CG1 3.84Å; A214-V234 WeakPolarHBondContact CB-O 3.3Å; A214-E236 PolarHBondContact N-O 3.41Å; A214-A238 WeakPolarHBondContact CA-O 3.19Å | ||
| 215 | Q | 98.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 49 Ų | 49 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128 | 179.4 | -68.9 | 171.4 | 70.3 | 0 | 0 | 110.3 | S193 K217 A238 I239 V240 | S193-Q215 WeakPolarHBondContact O-CA 3.36Å; Q215-K217 HydrophobicContact CB-CG 4.48Å; Q215-A238 PolarHBondContact N-O 2.99Å; Q215-I239 HydrophobicContact CB-CG1 4.43Å; Q215-I239 WeakPolarHBondContact O-CA 3.37Å; Q215-V240 PolarHBondContact O-N 2.8Å |
| 216 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 116.3 | 173.8 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | S193 I194 E195 V202 V210 P226 I228 V234 V240 | S193-V216 PolarHBondContact O-N 2.86Å; I194-V216 WeakPolarHBondContact CA-O 3.39Å; I194-V216 HydrophobicContact CD1-CB 3.83Å; I194-V216 HydrophobicContact CD1-CG2 3.94Å; E195-V216 PolarHBondContact N-O 2.9Å; V202-V216 HydrophobicContact CG1-CB 4.23Å; V202-V216 HydrophobicContact CG1-CG1 3.51Å; V210-V216 HydrophobicContact CG1-CG2 3.89Å; V210-V216 HydrophobicContact CG2-CG2 3.92Å; V216-P226 HydrophobicContact CG1-CB 3.52Å; V216-P226 HydrophobicContact CG1-CG 4.09Å; V216-I228 HydrophobicContact CB-CD1 4.4Å; V216-I228 HydrophobicContact CG1-CD1 3.92Å; V216-I228 HydrophobicContact CG2-CD1 3.65Å; V216-V234 HydrophobicContact CG2-CB 4.33Å; V216-V234 HydrophobicContact CG2-CG1 4.35Å; V216-V234 HydrophobicContact CG2-CG2 4.32Å; V216-V240 CarbonylContact C-O 3.54Å; V216-V240 VanDerWaalsContact CA-O 3.3Å; V216-V240 WeakPolarHBondContact CA-O 2.74Å; V216-V240 HydrophobicContact CG1-CB 4.37Å |
| 217 | K | 98.7 | Very high | 97 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 19% | 0.191 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.4 | -167.5 | -53.3 | -162.1 | -178.8 | -156.3 | 0 | 112.5 | E195 Q215 P226 V240 E241 G242 | E195-K217 HydrophobicContact CB-CG 4.16Å; E195-K217 CarbonylContact O-C 3.54Å; E195-K217 VanDerWaalsContact O-CA 3.26Å; E195-K217 WeakPolarHBondContact O-CA 3.21Å; E195-K217 IonicContact OE1-NZ 3.43Å; E195-K217 WeakPolarHBondContact OE2-CD 3.35Å; E195-K217 WeakPolarHBondContact OE2-CE 3.25Å; E195-K217 IonicContact OE2-NZ 3.72Å; E195-K217 PolarHBondContact OE2-NZ 3Å; Q215-K217 HydrophobicContact CB-CG 4.48Å; K217-P226 VanDerWaalsContact C-CG 3.44Å; K217-P226 WeakPolarHBondContact O-CG 3.38Å; K217-V240 PolarHBondContact N-O 2.89Å; K217-E241 HydrophobicContact CB-CB 4.4Å; K217-E241 HydrophobicContact CB-CG 4.16Å; K217-E241 CarbonylContact O-C 3.57Å; K217-E241 VanDerWaalsContact O-CA 3.25Å; K217-E241 WeakPolarHBondContact O-CA 3.24Å; K217-G242 PolarHBondContact O-N 2.81Å |
| 218 | A | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | trans | -66.2 | 144 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E195 N200 V202 A224 | E195-A218 PolarHBondContact O-N 3.3Å; N200-A218 HydrophobicContact CB-CB 3.64Å; N200-A218 VanDerWaalsContact O-CB 3.3Å; N200-A218 WeakPolarHBondContact O-CB 3.12Å; V202-A218 HydrophobicContact CG2-CB 4.2Å; A218-A224 WeakPolarHBondContact CA-O 2.95Å | ||
| 219 | G | 96.8 | Very high | 97 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | trans | -78.4 | 175 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N197 N200 A224 | N197-G219 PolarHBondContact ND2-O 3.5Å; N200-G219 PolarHBondContact ND2-O 3.05Å; G219-A224 VanDerWaalsContact CA-CB 3.5Å; G219-A224 PolarHBondContact N-O 2.67Å | ||
| 220 | I | 94.2 | Very high | 96.9 | Very high | 155 Ų | 155 | 50 Ų | 50 | 80% | 0.795 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -94.1 | -8.7 | -179.7 | 62.1 | 170.5 | 0 | 0 | 0 | 113.6 | ||
| 221 | E | 93 | Very high | 96.8 | Very high | 148 Ų | 148 | 52.2 Ų | 52.2 | 69% | 0.692 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -81.8 | 161.6 | 179.3 | -61.9 | 172.5 | -173.9 | 0 | 0 | 110.5 | N200 D223 A224 | N200-E221 PolarHBondContact ND2-O 3.04Å; E221-D223 PolarHBondContact O-N 3.35Å; E221-A224 HydrophobicContact CB-CB 4.14Å; E221-A224 VanDerWaalsContact O-CB 3.27Å; E221-A224 WeakPolarHBondContact O-CB 3.39Å; E221-A224 PolarHBondContact O-N 3.11Å |
| 222 | E | 89.3 | Confident | 96.8 | Very high | 172 Ų | 172 | 49.5 Ų | 49.5 | 80% | 0.804 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 133.6 | 171.1 | -170.3 | 173.9 | -168.7 | 0 | 0 | 109.7 | A224 | E222-A224 PolarHBondContact O-N 3.38Å; E222-A224 VanDerWaalsContact O-N 3.16Å |
| 223 | D | 89.8 | Confident | 96.8 | Very high | 102 Ų | 102 | 51.9 Ų | 51.9 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 19.9 | -178.3 | -57.6 | -39.6 | 0 | 0 | 0 | 115.6 | E221 I225 N243 | E221-D223 PolarHBondContact O-N 3.35Å; D223-I225 PolarHBondContact O-N 3.12Å; D223-N243 PolarHBondContact O-ND2 2.74Å |
| 224 | A | 96.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | trans | -76.5 | 59.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A218 G219 E221 E222 P226 | A218-A224 WeakPolarHBondContact CA-O 2.95Å; G219-A224 VanDerWaalsContact CA-CB 3.5Å; G219-A224 PolarHBondContact N-O 2.67Å; E221-A224 HydrophobicContact CB-CB 4.14Å; E221-A224 VanDerWaalsContact O-CB 3.27Å; E221-A224 WeakPolarHBondContact O-CB 3.39Å; E221-A224 PolarHBondContact O-N 3.11Å; E222-A224 PolarHBondContact O-N 3.38Å; E222-A224 VanDerWaalsContact O-N 3.16Å; A224-P226 WeakPolarHBondContact O-CD 3.14Å | ||
| 225 | I | 97.7 | Very high | 96.8 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.185 | 24% | 0.243 | C | C | . | . | trans | -107.5 | 105.6 | -170.1 | -64.6 | 163.7 | 0 | 0 | 0 | 110.5 | N200 N201 W203 D223 T227 G242 | N200-I225 HydrophobicContact CB-CG1 3.8Å; N201-I225 WeakPolarHBondContact O-CG2 3.28Å; W203-I225 HydrophobicContact CG-CG2 4.24Å; D223-I225 PolarHBondContact O-N 3.12Å; I225-T227 PolarHBondContact O-N 2.77Å; I225-T227 PolarHBondContact O-OG1 2.94Å; I225-T227 VanDerWaalsContact O-OG1 3.11Å; I225-G242 CarbonylContact C-O 3.56Å | ||
| 226 | P | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -64.5 | 133.7 | 170.4 | -15.3 | 24 | 0 | 0 | 0 | 110.1 | V202 W203 V216 K217 A224 V240 G242 C244 | V202-P226 HydrophobicContact CG1-CB 4.26Å; V202-P226 HydrophobicContact CG2-CG 4.15Å; W203-P226 PolarHBondContact N-O 2.97Å; V216-P226 HydrophobicContact CG1-CB 3.52Å; V216-P226 HydrophobicContact CG1-CG 4.09Å; K217-P226 VanDerWaalsContact C-CG 3.44Å; K217-P226 WeakPolarHBondContact O-CG 3.38Å; A224-P226 WeakPolarHBondContact O-CD 3.14Å; P226-V240 HydrophobicContact CB-CG1 4.36Å; P226-G242 WeakPolarHBondContact CD-O 3.47Å; P226-G242 VanDerWaalsContact CG-O 3.24Å; P226-G242 WeakPolarHBondContact CG-O 3.2Å; P226-G242 VanDerWaalsContact N-O 3.12Å; P226-C244 CarbonylContact C-O 3.57Å; P226-C244 WeakPolarHBondContact CA-O 3.13Å | ||
| 227 | T | 98.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 112.2 | -170.4 | -61.6 | 0 | 0 | 0 | 0 | 108.8 | W203 I225 H229 C244 V245 L246 | W203-T227 HydrophobicContact CB-CG2 4.34Å; W203-T227 CarbonylContact O-C 3.56Å; W203-T227 WeakPolarHBondContact O-CA 3.41Å; I225-T227 PolarHBondContact O-N 2.77Å; I225-T227 PolarHBondContact O-OG1 2.94Å; I225-T227 VanDerWaalsContact O-OG1 3.11Å; T227-H229 WeakPolarHBondContact CG2-CD2 3.38Å; T227-H229 WeakPolarHBondContact CG2-NE2 3.39Å; T227-C244 PolarHBondContact N-O 3.24Å; T227-V245 WeakPolarHBondContact O-CA 3.29Å; T227-L246 PolarHBondContact O-N 2.87Å |
| 228 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.8 | -176.7 | -50.2 | 169.6 | 0 | 0 | 0 | 108.9 | W203 L204 C205 A208 V210 V216 V234 L246 | W203-I228 PolarHBondContact O-N 2.74Å; L204-I228 WeakPolarHBondContact CA-O 3.46Å; L204-I228 HydrophobicContact CG-CB 4.5Å; L204-I228 HydrophobicContact CG-CD1 4.46Å; C205-I228 PolarHBondContact N-O 3.17Å; A208-I228 HydrophobicContact CB-CB 4.16Å; A208-I228 HydrophobicContact CB-CG2 3.68Å; A208-I228 VanDerWaalsContact CB-O 3.29Å; A208-I228 WeakPolarHBondContact CB-O 3.31Å; V210-I228 HydrophobicContact CG2-CD1 3.83Å; V216-I228 HydrophobicContact CB-CD1 4.4Å; V216-I228 HydrophobicContact CG1-CD1 3.92Å; V216-I228 HydrophobicContact CG2-CD1 3.65Å; I228-V234 HydrophobicContact CD1-CG2 3.57Å; I228-V234 HydrophobicContact CG1-CG2 4.45Å; I228-L246 HydrophobicContact CG2-CB 4.36Å |
| 229 | H | 96.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 56 Ų | 56 | 20% | 0.199 | 27% | 0.272 | C | S | . | . | trans | -120.8 | 165.9 | -169.4 | -74.2 | -154.6 | 0 | 0 | 0 | 112.5 | C205 T227 S231 S232 L246 K247 | C205-H229 PolarHBondContact SG-CD2 2.78Å; C205-H229 PolarHBondContact SG-NE2 3.04Å; C205-H229 VanDerWaalsContact SG-NE2 3.35Å; T227-H229 WeakPolarHBondContact CG2-CD2 3.38Å; T227-H229 WeakPolarHBondContact CG2-NE2 3.39Å; H229-S231 PolarHBondContact O-N 2.88Å; H229-S232 WeakPolarHBondContact O-CB 3.47Å; H229-S232 PolarHBondContact O-N 2.95Å; H229-S232 VanDerWaalsContact O-N 3.17Å; H229-S232 PolarHBondContact O-OG 3.49Å; H229-S232 VanDerWaalsContact O-OG 3.06Å; H229-L246 PolarHBondContact N-O 3.18Å; H229-K247 HydrophobicContact CB-CB 4.07Å | ||
| 230 | Y | 96.2 | Very high | 96.9 | Very high | 99 Ų | 99 | 55.5 Ų | 55.5 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -130.7 | 175.4 | -52.6 | -64 | 0 | 0 | 0 | 113.3 | D206 C207 A208 S232 K247 H248 | D206-Y230 WeakPolarHBondContact OD2-CD1 3.27Å; D206-Y230 WeakPolarHBondContact OD2-CE1 3.19Å; D206-Y230 PolarHBondContact OD2-N 2.89Å; D206-Y230 VanDerWaalsContact OD2-N 3.15Å; C207-Y230 CarbonylContact C-O 3.58Å; C207-Y230 WeakPolarHBondContact CA-O 3.45Å; C207-Y230 WeakPolarHBondContact CB-O 3.45Å; C207-Y230 PolarHBondContact N-O 2.78Å; A208-Y230 PolarHBondContact N-O 2.88Å; Y230-S232 VanDerWaalsContact C-N 3.3Å; Y230-K247 HydrophobicContact CD2-CB 3.79Å; Y230-K247 HydrophobicContact CE2-CB 4Å; Y230-H248 AromaticContact CD2-CD2 3.57Å; Y230-H248 AromaticContact CD2-CG 3.94Å; Y230-H248 AromaticContact CD2-NE2 3.68Å; Y230-H248 AromaticContact CE2-CD2 3.67Å; Y230-H248 AromaticContact CE2-CE1 3.59Å; Y230-H248 AromaticContact CE2-NE2 3.24Å; Y230-H248 WeakPolarHBondContact CE2-NE2 3.36Å; Y230-H248 AromaticContact CZ-NE2 3.64Å |
| 231 | S | 96.9 | Very high | 97.1 | Very high | 46 Ų | 46 | 52 Ų | 52 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 22.4 | 179 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | H229 H249 | H229-S231 PolarHBondContact O-N 2.88Å; S231-H249 WeakPolarHBondContact CB-ND1 3.46Å |
| 232 | S | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -74.8 | 148.8 | 179.9 | -61 | 0 | 0 | 0 | 0 | 111.9 | A208 K209 H229 Y230 L246 K247 V250 | A208-S232 VanDerWaalsContact CA-O 3.25Å; A208-S232 WeakPolarHBondContact CA-O 3.17Å; K209-S232 PolarHBondContact N-O 2.84Å; H229-S232 WeakPolarHBondContact O-CB 3.47Å; H229-S232 PolarHBondContact O-N 2.95Å; H229-S232 VanDerWaalsContact O-N 3.17Å; H229-S232 PolarHBondContact O-OG 3.49Å; H229-S232 VanDerWaalsContact O-OG 3.06Å; Y230-S232 VanDerWaalsContact C-N 3.3Å; S232-L246 PolarHBondContact OG-O 3.45Å; S232-K247 WeakPolarHBondContact OG-CA 3.26Å; S232-K247 PolarHBondContact OG-N 2.69Å; S232-V250 CarbonylContact C-O 3.57Å; S232-V250 WeakPolarHBondContact CA-O 3.44Å; S232-V250 PolarHBondContact OG-N 2.85Å | ||
| 233 | Q | 98.8 | Very high | 97.7 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.1 | -169.8 | -60.6 | 178.1 | 59.2 | 0 | 0 | 111.5 | K209 Y211 V250 L251 V252 | K209-Q233 HydrophobicContact CB-CG 4.14Å; K209-Q233 HydrophobicContact CG-CG 4.45Å; K209-Q233 CarbonylContact O-C 3.6Å; K209-Q233 VanDerWaalsContact O-CA 3.28Å; K209-Q233 WeakPolarHBondContact O-CA 3.49Å; Y211-Q233 HydrophobicContact CE1-CB 4.35Å; Y211-Q233 PolarHBondContact OH-OE1 3.01Å; Q233-V250 PolarHBondContact N-O 3.29Å; Q233-L251 HydrophobicContact CB-CD1 3.86Å; Q233-V252 PolarHBondContact O-N 2.95Å |
| 234 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.5 | 167.9 | -170.7 | 0 | 0 | 0 | 0 | 107.9 | K209 V210 Y211 A214 V216 I228 A238 V240 L246 V252 | K209-V234 PolarHBondContact O-N 3.31Å; V210-V234 VanDerWaalsContact CA-O 3.25Å; V210-V234 WeakPolarHBondContact CA-O 3.33Å; V210-V234 HydrophobicContact CG1-CB 4.34Å; V210-V234 HydrophobicContact CG2-CB 4.32Å; Y211-V234 PolarHBondContact N-O 3.43Å; A214-V234 HydrophobicContact CB-CB 4.38Å; A214-V234 HydrophobicContact CB-CG1 3.84Å; A214-V234 WeakPolarHBondContact CB-O 3.3Å; V216-V234 HydrophobicContact CG2-CB 4.33Å; V216-V234 HydrophobicContact CG2-CG1 4.35Å; V216-V234 HydrophobicContact CG2-CG2 4.32Å; I228-V234 HydrophobicContact CD1-CG2 3.57Å; I228-V234 HydrophobicContact CG1-CG2 4.45Å; V234-A238 HydrophobicContact CG1-CB 3.86Å; V234-V240 HydrophobicContact CG1-CG2 3.88Å; V234-V240 HydrophobicContact CG2-CG2 3.78Å; V234-L246 HydrophobicContact CG2-CD2 3.89Å; V234-V252 CarbonylContact C-O 3.6Å; V234-V252 VanDerWaalsContact CA-O 3.29Å; V234-V252 WeakPolarHBondContact CA-O 3.37Å; V234-V252 HydrophobicContact CG1-CB 4.48Å |
| 235 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | trans | -136.4 | 171.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y211 Y237 A238 L251 V252 | Y211-A235 HydrophobicContact CD1-CB 4.23Å; Y211-A235 HydrophobicContact CD2-CB 4.15Å; Y211-A235 HydrophobicContact CE1-CB 3.67Å; Y211-A235 HydrophobicContact CE2-CB 3.56Å; Y211-A235 HydrophobicContact CG-CB 4.45Å; Y211-A235 WeakPolarHBondContact O-CA 3.29Å; A235-Y237 PolarHBondContact O-N 2.9Å; A235-A238 VanDerWaalsContact O-CB 3.23Å; A235-A238 WeakPolarHBondContact O-CB 3.34Å; A235-A238 PolarHBondContact O-N 3.29Å; A235-A238 VanDerWaalsContact O-N 3.07Å; A235-L251 HydrophobicContact CB-CD1 4.48Å; A235-V252 PolarHBondContact N-O 2.85Å | ||
| 236 | E | 98.5 | Very high | 98.2 | Very high | 96 Ų | 96 | 34.6 Ų | 34.6 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -118.6 | 171.1 | -59.6 | 171.1 | -163.1 | 0 | 0 | 111.6 | Y211 H213 A214 G254 | Y211-E236 PolarHBondContact O-N 2.81Å; H213-E236 CarbonylContact C-O 3.56Å; H213-E236 WeakPolarHBondContact CA-O 3.38Å; H213-E236 WeakPolarHBondContact CB-O 3.06Å; H213-E236 PolarHBondContact N-O 2.89Å; A214-E236 PolarHBondContact N-O 3.41Å; E236-G254 WeakPolarHBondContact OE2-CA 3.31Å; E236-G254 PolarHBondContact OE2-N 2.83Å |
| 237 | Y | 98.7 | Very high | 98.2 | Very high | 133 Ų | 133 | 37.3 Ų | 37.3 | 52% | 0.522 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 15 | 177.6 | -65.7 | -83.7 | 0 | 0 | 0 | 112.4 | H213 A235 G254 N255 | H213-Y237 HydrophobicContact CB-CD1 3.59Å; H213-Y237 HydrophobicContact CB-CE1 3.7Å; H213-Y237 HydrophobicContact CB-CG 4.38Å; H213-Y237 AromaticContact CD2-CE1 3.36Å; H213-Y237 WeakPolarHBondContact CD2-CE1 3.34Å; H213-Y237 AromaticContact CD2-CZ 3.55Å; H213-Y237 AromaticContact CG-CE1 3.6Å; A235-Y237 PolarHBondContact O-N 2.9Å; Y237-G254 CarbonylContact C-O 3.56Å; Y237-G254 VanDerWaalsContact C-O 3.28Å; Y237-G254 VanDerWaalsContact CA-O 3.3Å; Y237-G254 WeakPolarHBondContact CA-O 3.31Å; Y237-G254 WeakPolarHBondContact CB-O 3.18Å; Y237-G254 PolarHBondContact N-O 2.97Å; Y237-N255 WeakPolarHBondContact CB-OD1 3.25Å |
| 238 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -63.2 | 147.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A214 Q215 V234 A235 V252 G254 A256 | A214-A238 WeakPolarHBondContact CA-O 3.19Å; Q215-A238 PolarHBondContact N-O 2.99Å; V234-A238 HydrophobicContact CG1-CB 3.86Å; A235-A238 VanDerWaalsContact O-CB 3.23Å; A235-A238 WeakPolarHBondContact O-CB 3.34Å; A235-A238 PolarHBondContact O-N 3.29Å; A235-A238 VanDerWaalsContact O-N 3.07Å; A238-V252 HydrophobicContact CB-CB 4.46Å; A238-V252 HydrophobicContact CB-CG1 3.81Å; A238-G254 PolarHBondContact N-O 3.15Å; A238-G254 VanDerWaalsContact N-O 3.15Å; A238-A256 WeakPolarHBondContact CA-O 3.4Å | ||
| 239 | I | 98.8 | Very high | 98 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.3 | 178 | -56.9 | 177.7 | 0 | 0 | 0 | 109 | Q215 E241 A256 V257 V258 | Q215-I239 HydrophobicContact CB-CG1 4.43Å; Q215-I239 WeakPolarHBondContact O-CA 3.37Å; I239-E241 HydrophobicContact CG2-CB 4.39Å; I239-A256 PolarHBondContact N-O 2.87Å; I239-V257 HydrophobicContact CB-CG1 4.49Å; I239-V257 HydrophobicContact CB-CG2 4.47Å; I239-V257 WeakPolarHBondContact O-CA 3.15Å; I239-V258 PolarHBondContact O-N 2.79Å |
| 240 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.1 | 169.2 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | Q215 V216 K217 P226 V234 C244 L246 V252 V258 | Q215-V240 PolarHBondContact O-N 2.8Å; V216-V240 CarbonylContact C-O 3.54Å; V216-V240 VanDerWaalsContact CA-O 3.3Å; V216-V240 WeakPolarHBondContact CA-O 2.74Å; V216-V240 HydrophobicContact CG1-CB 4.37Å; K217-V240 PolarHBondContact N-O 2.89Å; P226-V240 HydrophobicContact CB-CG1 4.36Å; V234-V240 HydrophobicContact CG1-CG2 3.88Å; V234-V240 HydrophobicContact CG2-CG2 3.78Å; V240-C244 HydrophobicContact CG1-CB 3.58Å; V240-L246 HydrophobicContact CG1-CD1 4.08Å; V240-L246 HydrophobicContact CG2-CD2 4.31Å; V240-V252 HydrophobicContact CG2-CG1 4.39Å; V240-V258 CarbonylContact C-O 3.56Å; V240-V258 VanDerWaalsContact CA-O 3.28Å; V240-V258 WeakPolarHBondContact CA-O 2.99Å; V240-V258 HydrophobicContact CG2-CB 4.36Å |
| 241 | E | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 38.6 Ų | 38.6 | 38% | 0.379 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 132.7 | -172.8 | -178.1 | 179.3 | -175.7 | 0 | 0 | 113.1 | K217 I239 C244 V258 R259 G260 | K217-E241 HydrophobicContact CB-CB 4.4Å; K217-E241 HydrophobicContact CB-CG 4.16Å; K217-E241 CarbonylContact O-C 3.57Å; K217-E241 VanDerWaalsContact O-CA 3.25Å; K217-E241 WeakPolarHBondContact O-CA 3.24Å; I239-E241 HydrophobicContact CG2-CB 4.39Å; E241-C244 PolarHBondContact O-SG 3.44Å; E241-C244 VanDerWaalsContact O-SG 3.39Å; E241-V258 PolarHBondContact N-O 2.93Å; E241-R259 HydrophobicContact CB-CB 4.07Å; E241-R259 CarbonylContact O-C 3.02Å; E241-R259 WeakPolarHBondContact O-CA 3.3Å; E241-G260 PolarHBondContact O-N 2.97Å |
| 242 | G | 97.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 90.6 | -152.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K217 I225 P226 C244 G260 | K217-G242 PolarHBondContact O-N 2.81Å; I225-G242 CarbonylContact C-O 3.56Å; P226-G242 WeakPolarHBondContact CD-O 3.47Å; P226-G242 VanDerWaalsContact CG-O 3.24Å; P226-G242 WeakPolarHBondContact CG-O 3.2Å; P226-G242 VanDerWaalsContact N-O 3.12Å; G242-C244 VanDerWaalsContact C-N 3.3Å; G242-C244 PolarHBondContact O-N 2.84Å; G242-G260 CarbonylContact C-O 3.53Å |
| 243 | N | 97.1 | Very high | 98.4 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 28% | 0.278 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -77.2 | 78.6 | -178 | -171.7 | -13.7 | 0 | 0 | 0 | 110.8 | D223 G260 G261 P262 I263 | D223-N243 PolarHBondContact O-ND2 2.74Å; N243-G260 CarbonylContact C-O 3.56Å; N243-G260 PolarHBondContact N-O 2.92Å; N243-G261 WeakPolarHBondContact O-CA 3.38Å; N243-P262 CarbonylContact O-C 3.57Å; N243-P262 WeakPolarHBondContact O-CA 3.45Å; N243-I263 PolarHBondContact O-N 2.8Å |
| 244 | C | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.1 | -177.4 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | P226 T227 V240 E241 G242 L246 I263 | P226-C244 CarbonylContact C-O 3.57Å; P226-C244 WeakPolarHBondContact CA-O 3.13Å; T227-C244 PolarHBondContact N-O 3.24Å; V240-C244 HydrophobicContact CG1-CB 3.58Å; E241-C244 PolarHBondContact O-SG 3.44Å; E241-C244 VanDerWaalsContact O-SG 3.39Å; G242-C244 VanDerWaalsContact C-N 3.3Å; G242-C244 PolarHBondContact O-N 2.84Å; C244-L246 HydrophobicContact CB-CD1 4.11Å; C244-I263 CarbonylContact C-O 3.23Å; C244-I263 HydrophobicContact CB-CB 4.49Å |
| 245 | V | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 24% | 0.242 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.7 | 176 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | T227 K247 I263 L264 L265 | T227-V245 WeakPolarHBondContact O-CA 3.29Å; V245-K247 HydrophobicContact CG1-CD 4.4Å; V245-I263 PolarHBondContact N-O 3.06Å; V245-L264 HydrophobicContact CB-CD1 3.99Å; V245-L264 HydrophobicContact CG1-CD1 3.93Å; V245-L264 WeakPolarHBondContact O-CA 3.25Å; V245-L265 PolarHBondContact O-N 2.83Å |
| 246 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.8 | 178.2 | -75.1 | 67.7 | 0 | 0 | 0 | 109.3 | T227 I228 H229 S232 V234 V240 C244 V250 V252 L265 | T227-L246 PolarHBondContact O-N 2.87Å; I228-L246 HydrophobicContact CG2-CB 4.36Å; H229-L246 PolarHBondContact N-O 3.18Å; S232-L246 PolarHBondContact OG-O 3.45Å; V234-L246 HydrophobicContact CG2-CD2 3.89Å; V240-L246 HydrophobicContact CG1-CD1 4.08Å; V240-L246 HydrophobicContact CG2-CD2 4.31Å; C244-L246 HydrophobicContact CB-CD1 4.11Å; L246-V250 HydrophobicContact CB-CB 4.23Å; L246-V250 HydrophobicContact CB-CG1 4.18Å; L246-V250 HydrophobicContact CD2-CG1 3.88Å; L246-V250 HydrophobicContact CG-CG1 3.9Å; L246-V252 HydrophobicContact CD2-CG2 3.56Å; L246-L265 HydrophobicContact CD1-CD1 4.45Å; L246-L265 HydrophobicContact CG-CB 4.35Å; L246-L265 HydrophobicContact CG-CD1 4.16Å |
| 247 | K | 97.9 | Very high | 98.3 | Very high | 58 Ų | 58 | 33.8 Ų | 33.8 | 25% | 0.252 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156.7 | -175.5 | 65.9 | 178.3 | -159 | -172.7 | 0 | 112.4 | H229 Y230 S232 V245 V250 L264 L265 D266 E267 | H229-K247 HydrophobicContact CB-CB 4.07Å; Y230-K247 HydrophobicContact CD2-CB 3.79Å; Y230-K247 HydrophobicContact CE2-CB 4Å; S232-K247 WeakPolarHBondContact OG-CA 3.26Å; S232-K247 PolarHBondContact OG-N 2.69Å; V245-K247 HydrophobicContact CG1-CD 4.4Å; K247-V250 VanDerWaalsContact O-CG2 3.22Å; K247-V250 WeakPolarHBondContact O-CG2 3.49Å; K247-L264 HydrophobicContact CD-CD1 4.16Å; K247-L264 HydrophobicContact CG-CD1 4.3Å; K247-L265 PolarHBondContact N-O 3.17Å; K247-D266 WeakPolarHBondContact CE-OD1 3.41Å; K247-D266 WeakPolarHBondContact CE-OD2 3.15Å; K247-D266 HydrophobicContact CG-CB 4.23Å; K247-D266 WeakPolarHBondContact CG-OD1 3.49Å; K247-D266 IonicContact NZ-OD2 3.49Å; K247-D266 PolarHBondContact NZ-OD2 2.78Å; K247-D266 WeakPolarHBondContact O-CA 3.48Å; K247-E267 PolarHBondContact O-N 3.43Å |
| 248 | H | 97.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 27.5 Ų | 27.5 | 24% | 0.241 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 52.3 | 74.4 | -179.3 | -47.8 | 110.6 | 0 | 0 | 0 | 114.8 | Y230 D266 E267 H268 | Y230-H248 AromaticContact CD2-CD2 3.57Å; Y230-H248 AromaticContact CD2-CG 3.94Å; Y230-H248 AromaticContact CD2-NE2 3.68Å; Y230-H248 AromaticContact CE2-CD2 3.67Å; Y230-H248 AromaticContact CE2-CE1 3.59Å; Y230-H248 AromaticContact CE2-NE2 3.24Å; Y230-H248 WeakPolarHBondContact CE2-NE2 3.36Å; Y230-H248 AromaticContact CZ-NE2 3.64Å; H248-D266 WeakPolarHBondContact CB-OD1 3.04Å; H248-D266 IonicContact CE1-OD1 3.88Å; H248-D266 IonicContact CG-OD1 3.17Å; H248-D266 IonicContact ND1-OD1 2.69Å; H248-D266 PolarHBondContact ND1-OD1 2.93Å; H248-D266 IonicContact ND1-OD2 2.74Å; H248-E267 HydrophobicContact CB-CG 4.48Å; H248-E267 IonicContact CG-OE1 3.85Å; H248-E267 IonicContact ND1-OE1 3.35Å; H248-E267 CarbonylContact O-C 3.59Å; H248-E267 VanDerWaalsContact O-CA 3.29Å; H248-E267 WeakPolarHBondContact O-CA 3.37Å; H248-E267 PolarHBondContact O-N 3.4Å; H248-H268 PolarHBondContact O-N 2.75Å |
| 249 | H | 97.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 33.4 Ų | 33.4 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 67.1 | 35.9 | 171.4 | -54.4 | -81.8 | 0 | 0 | 0 | 114.9 | S231 H268 | S231-H249 WeakPolarHBondContact CB-ND1 3.46Å; H249-H268 AromaticContact CD2-CE1 3.63Å; H249-H268 AromaticContact CD2-NE2 3.69Å; H249-H268 AromaticContact CG-NE2 3.78Å; H249-H268 WeakPolarHBondContact O-CA 3.22Å |
| 250 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | trans | -78.2 | 137.7 | 171.8 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | S232 Q233 L246 K247 V252 L265 V269 | S232-V250 CarbonylContact C-O 3.57Å; S232-V250 WeakPolarHBondContact CA-O 3.44Å; S232-V250 PolarHBondContact OG-N 2.85Å; Q233-V250 PolarHBondContact N-O 3.29Å; L246-V250 HydrophobicContact CB-CB 4.23Å; L246-V250 HydrophobicContact CB-CG1 4.18Å; L246-V250 HydrophobicContact CD2-CG1 3.88Å; L246-V250 HydrophobicContact CG-CG1 3.9Å; K247-V250 VanDerWaalsContact O-CG2 3.22Å; K247-V250 WeakPolarHBondContact O-CG2 3.49Å; V250-V252 HydrophobicContact CG1-CG2 4.08Å; V250-L265 HydrophobicContact CG1-CB 3.87Å; V250-L265 HydrophobicContact CG1-CD1 4.06Å; V250-L265 HydrophobicContact CG2-CB 3.8Å; V250-L265 WeakPolarHBondContact CG2-O 3.21Å; V250-V269 CarbonylContact C-O 3.57Å; V250-V269 VanDerWaalsContact CA-O 3.27Å; V250-V269 WeakPolarHBondContact CA-O 3.47Å; V250-V269 HydrophobicContact CG2-CB 4.27Å | ||
| 251 | L | 98.8 | Very high | 97.4 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 22% | 0.22 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.1 | 168.9 | 174.9 | 62.2 | 0 | 0 | 0 | 109.7 | Q233 A235 V269 V270 I271 | Q233-L251 HydrophobicContact CB-CD1 3.86Å; A235-L251 HydrophobicContact CB-CD1 4.48Å; L251-V269 PolarHBondContact N-O 3.39Å; L251-V270 HydrophobicContact CB-CG2 4.47Å; L251-V270 HydrophobicContact CD2-CG1 4.36Å; L251-V270 CarbonylContact O-C 3.55Å; L251-V270 WeakPolarHBondContact O-CA 3.3Å; L251-I271 PolarHBondContact O-N 3.24Å |
| 252 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 113.9 | 166.2 | -170.8 | 0 | 0 | 0 | 0 | 108 | Q233 V234 A235 A238 V240 L246 V250 A256 V258 L265 I271 | Q233-V252 PolarHBondContact O-N 2.95Å; V234-V252 CarbonylContact C-O 3.6Å; V234-V252 VanDerWaalsContact CA-O 3.29Å; V234-V252 WeakPolarHBondContact CA-O 3.37Å; V234-V252 HydrophobicContact CG1-CB 4.48Å; A235-V252 PolarHBondContact N-O 2.85Å; A238-V252 HydrophobicContact CB-CB 4.46Å; A238-V252 HydrophobicContact CB-CG1 3.81Å; V240-V252 HydrophobicContact CG2-CG1 4.39Å; L246-V252 HydrophobicContact CD2-CG2 3.56Å; V250-V252 HydrophobicContact CG1-CG2 4.08Å; V252-A256 HydrophobicContact CG1-CB 4.03Å; V252-V258 HydrophobicContact CG1-CG2 3.88Å; V252-V258 HydrophobicContact CG2-CG2 4.21Å; V252-L265 HydrophobicContact CG2-CD1 4.11Å; V252-I271 CarbonylContact C-O 3.39Å; V252-I271 VanDerWaalsContact CA-O 3.31Å; V252-I271 WeakPolarHBondContact CA-O 3.25Å; V252-I271 HydrophobicContact CG1-CB 4.27Å; V252-I271 HydrophobicContact CG1-CG2 4.5Å; V252-I271 HydrophobicContact CG2-CB 4.24Å; V252-I271 HydrophobicContact CG2-CG1 4.29Å |
| 253 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -139.4 | -165.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A256 I271 | G253-A256 WeakPolarHBondContact O-CB 3.32Å; G253-A256 PolarHBondContact O-N 2.84Å; G253-I271 PolarHBondContact N-O 2.96Å | ||
| 254 | G | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 34 Ų | 34 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -136.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E236 Y237 A238 | E236-G254 WeakPolarHBondContact OE2-CA 3.31Å; E236-G254 PolarHBondContact OE2-N 2.83Å; Y237-G254 CarbonylContact C-O 3.56Å; Y237-G254 VanDerWaalsContact C-O 3.28Å; Y237-G254 VanDerWaalsContact CA-O 3.3Å; Y237-G254 WeakPolarHBondContact CA-O 3.31Å; Y237-G254 WeakPolarHBondContact CB-O 3.18Å; Y237-G254 PolarHBondContact N-O 2.97Å; A238-G254 PolarHBondContact N-O 3.15Å; A238-G254 VanDerWaalsContact N-O 3.15Å |
| 255 | N | 98.5 | Very high | 97.4 | Very high | 67 Ų | 67 | 34 Ų | 34 | 36% | 0.358 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 22.7 | 168.8 | -59.8 | -61.2 | 0 | 0 | 0 | 111 | Y237 G273 E274 | Y237-N255 WeakPolarHBondContact CB-OD1 3.25Å; N255-G273 CarbonylContact C-O 3.29Å; N255-G273 VanDerWaalsContact C-O 3.23Å; N255-G273 WeakPolarHBondContact CA-O 3.3Å; N255-G273 PolarHBondContact N-O 2.84Å; N255-E274 WeakPolarHBondContact CB-OE1 3.35Å; N255-E274 PolarHBondContact ND2-OE1 3.17Å |
| 256 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -63.8 | 146.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A238 I239 V252 G253 I271 G273 S275 | A238-A256 WeakPolarHBondContact CA-O 3.4Å; I239-A256 PolarHBondContact N-O 2.87Å; V252-A256 HydrophobicContact CG1-CB 4.03Å; G253-A256 WeakPolarHBondContact O-CB 3.32Å; G253-A256 PolarHBondContact O-N 2.84Å; A256-I271 HydrophobicContact CB-CG2 3.8Å; A256-G273 PolarHBondContact N-O 2.82Å; A256-S275 VanDerWaalsContact CA-O 3.3Å; A256-S275 WeakPolarHBondContact CA-O 3.17Å | ||
| 257 | V | 98.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 36 Ų | 36 | 17% | 0.17 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.2 | -178.9 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | I239 R259 S275 R276 I277 | I239-V257 HydrophobicContact CB-CG1 4.49Å; I239-V257 HydrophobicContact CB-CG2 4.47Å; I239-V257 WeakPolarHBondContact O-CA 3.15Å; V257-R259 HydrophobicContact CG1-CB 4.22Å; V257-R259 HydrophobicContact CG1-CG 4.04Å; V257-S275 PolarHBondContact N-O 2.83Å; V257-R276 HydrophobicContact CB-CG 4.45Å; V257-R276 CarbonylContact O-C 3.58Å; V257-R276 VanDerWaalsContact O-CA 3.31Å; V257-R276 WeakPolarHBondContact O-CA 3.23Å; V257-I277 PolarHBondContact O-N 3.07Å |
| 258 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 109.4 | 174 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | I239 V240 E241 V252 I263 L265 I271 I277 | I239-V258 PolarHBondContact O-N 2.79Å; V240-V258 CarbonylContact C-O 3.56Å; V240-V258 VanDerWaalsContact CA-O 3.28Å; V240-V258 WeakPolarHBondContact CA-O 2.99Å; V240-V258 HydrophobicContact CG2-CB 4.36Å; E241-V258 PolarHBondContact N-O 2.93Å; V252-V258 HydrophobicContact CG1-CG2 3.88Å; V252-V258 HydrophobicContact CG2-CG2 4.21Å; V258-I263 HydrophobicContact CG1-CB 4.44Å; V258-I263 HydrophobicContact CG1-CD1 3.72Å; V258-I263 HydrophobicContact CG1-CG2 3.81Å; V258-L265 HydrophobicContact CG1-CD1 4.3Å; V258-L265 HydrophobicContact CG2-CD1 4.27Å; V258-I271 HydrophobicContact CG2-CG2 4.36Å; V258-I277 HydrophobicContact CG1-CB 4.27Å; V258-I277 HydrophobicContact CG2-CB 4.36Å; V258-I277 HydrophobicContact CG2-CD1 4.35Å |
| 259 | R | 96.9 | Very high | 97.4 | Very high | 125 Ų | 125 | 34.3 Ų | 34.3 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 152.5 | -172.2 | 69.3 | 177.4 | -176.7 | 175.3 | 2.9 | 115.2 | E241 V257 I263 I277 T278 G279 | E241-R259 HydrophobicContact CB-CB 4.07Å; E241-R259 CarbonylContact O-C 3.02Å; E241-R259 WeakPolarHBondContact O-CA 3.3Å; V257-R259 HydrophobicContact CG1-CB 4.22Å; V257-R259 HydrophobicContact CG1-CG 4.04Å; R259-I263 WeakPolarHBondContact O-CD1 3.32Å; R259-I277 PolarHBondContact N-O 2.91Å; R259-T278 HydrophobicContact CG-CG2 3.45Å; R259-T278 VanDerWaalsContact CG-CG2 3.45Å; R259-T278 WeakPolarHBondContact O-CA 3.4Å; R259-G279 PolarHBondContact O-N 2.87Å |
| 260 | G | 91.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 38% | 0.381 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 89.9 | -142.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | E241 G242 N243 | E241-G260 PolarHBondContact O-N 2.97Å; G242-G260 CarbonylContact C-O 3.53Å; N243-G260 CarbonylContact C-O 3.56Å; N243-G260 PolarHBondContact N-O 2.92Å |
| 261 | G | 88.9 | Confident | 97.4 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 157.7 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N243 | N243-G261 WeakPolarHBondContact O-CA 3.38Š|
| 262 | P | 96 | Very high | 97.4 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 51% | 0.513 | 18% | 0.181 | S | C | . | . | S | Bend | cis | -72 | 128.3 | 0.8 | 28.9 | -34.8 | 0 | 0 | 0 | 112.6 | N243 A280 V281 | N243-P262 CarbonylContact O-C 3.57Å; N243-P262 WeakPolarHBondContact O-CA 3.45Å; P262-A280 HydrophobicContact CG-CB 4.41Å; P262-A280 CarbonylContact O-C 3.4Å; P262-A280 VanDerWaalsContact O-CA 3.28Å; P262-A280 WeakPolarHBondContact O-CA 3.28Å; P262-V281 PolarHBondContact O-N 2.89Å; P262-V281 VanDerWaalsContact O-N 3.08Å |
| 263 | I | 97.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.8 | 172.5 | -67.2 | 168.4 | 0 | 0 | 0 | 109.2 | N243 C244 V245 V258 R259 L265 I277 G279 V281 | N243-I263 PolarHBondContact O-N 2.8Å; C244-I263 CarbonylContact C-O 3.23Å; C244-I263 HydrophobicContact CB-CB 4.49Å; V245-I263 PolarHBondContact N-O 3.06Å; V258-I263 HydrophobicContact CG1-CB 4.44Å; V258-I263 HydrophobicContact CG1-CD1 3.72Å; V258-I263 HydrophobicContact CG1-CG2 3.81Å; R259-I263 WeakPolarHBondContact O-CD1 3.32Å; I263-L265 HydrophobicContact CG2-CD2 3.92Å; I263-L265 HydrophobicContact CG2-CG 3.98Å; I263-I277 HydrophobicContact CD1-CG2 3.84Å; I263-I277 HydrophobicContact CG1-CG2 4.25Å; I263-I277 HydrophobicContact CG2-CG2 4.25Å; I263-G279 WeakPolarHBondContact CG1-O 3.3Å; I263-V281 CarbonylContact C-O 3.49Å; I263-V281 VanDerWaalsContact CA-O 3.26Å; I263-V281 WeakPolarHBondContact CA-O 3.34Å; I263-V281 HydrophobicContact CG1-CB 4.35Å |
| 264 | L | 98.2 | Very high | 97.2 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118 | 170.2 | 176.2 | 62.1 | 0 | 0 | 0 | 109.9 | V245 K247 D266 V281 I282 I283 | V245-L264 HydrophobicContact CB-CD1 3.99Å; V245-L264 HydrophobicContact CG1-CD1 3.93Å; V245-L264 WeakPolarHBondContact O-CA 3.25Å; K247-L264 HydrophobicContact CD-CD1 4.16Å; K247-L264 HydrophobicContact CG-CD1 4.3Å; L264-D266 HydrophobicContact CD1-CB 4.47Å; L264-D266 HydrophobicContact CG-CB 4.47Å; L264-V281 PolarHBondContact N-O 3.18Å; L264-I282 HydrophobicContact CB-CG1 4.38Å; L264-I282 HydrophobicContact CB-CG2 4.4Å; L264-I282 HydrophobicContact CD2-CG2 4.25Å; L264-I282 CarbonylContact O-C 3.6Å; L264-I282 WeakPolarHBondContact O-CA 3.34Å; L264-I283 PolarHBondContact O-N 2.71Å |
| 265 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126 | 168.7 | -50.8 | -176.7 | 0 | 0 | 0 | 108.2 | V245 L246 K247 V250 V252 V258 I263 V269 I271 I277 I283 | V245-L265 PolarHBondContact O-N 2.83Å; L246-L265 HydrophobicContact CD1-CD1 4.45Å; L246-L265 HydrophobicContact CG-CB 4.35Å; L246-L265 HydrophobicContact CG-CD1 4.16Å; K247-L265 PolarHBondContact N-O 3.17Å; V250-L265 HydrophobicContact CG1-CB 3.87Å; V250-L265 HydrophobicContact CG1-CD1 4.06Å; V250-L265 HydrophobicContact CG2-CB 3.8Å; V250-L265 WeakPolarHBondContact CG2-O 3.21Å; V252-L265 HydrophobicContact CG2-CD1 4.11Å; V258-L265 HydrophobicContact CG1-CD1 4.3Å; V258-L265 HydrophobicContact CG2-CD1 4.27Å; I263-L265 HydrophobicContact CG2-CD2 3.92Å; I263-L265 HydrophobicContact CG2-CG 3.98Å; L265-V269 HydrophobicContact CB-CG1 4.37Å; L265-V269 HydrophobicContact CD2-CG1 4.41Å; L265-I271 HydrophobicContact CD1-CG1 3.95Å; L265-I277 HydrophobicContact CD1-CD1 4.37Å; L265-I277 HydrophobicContact CD2-CD1 3.82Å; L265-I283 WeakPolarHBondContact CA-O 3.3Å; L265-I283 HydrophobicContact CD2-CB 3.76Å; L265-I283 HydrophobicContact CD2-CD1 4.18Å; L265-I283 HydrophobicContact CD2-CG1 3.91Å |
| 266 | D | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152.7 | -171.9 | -161 | 7.1 | 0 | 0 | 0 | 113.1 | K247 H248 L264 V269 I283 E284 N285 | K247-D266 WeakPolarHBondContact CE-OD1 3.41Å; K247-D266 WeakPolarHBondContact CE-OD2 3.15Å; K247-D266 HydrophobicContact CG-CB 4.23Å; K247-D266 WeakPolarHBondContact CG-OD1 3.49Å; K247-D266 IonicContact NZ-OD2 3.49Å; K247-D266 PolarHBondContact NZ-OD2 2.78Å; K247-D266 WeakPolarHBondContact O-CA 3.48Å; H248-D266 WeakPolarHBondContact CB-OD1 3.04Å; H248-D266 IonicContact CE1-OD1 3.88Å; H248-D266 IonicContact CG-OD1 3.17Å; H248-D266 IonicContact ND1-OD1 2.69Å; H248-D266 PolarHBondContact ND1-OD1 2.93Å; H248-D266 IonicContact ND1-OD2 2.74Å; L264-D266 HydrophobicContact CD1-CB 4.47Å; L264-D266 HydrophobicContact CG-CB 4.47Å; D266-V269 WeakPolarHBondContact O-CG2 3.2Å; D266-I283 PolarHBondContact N-O 2.9Å; D266-E284 HydrophobicContact CB-CB 4.19Å; D266-E284 VanDerWaalsContact O-CA 3.25Å; D266-E284 WeakPolarHBondContact O-CA 3.28Å; D266-N285 PolarHBondContact O-N 2.86Å |
| 267 | E | 97.5 | Very high | 97.2 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 54.1 | 77 | 170.2 | -66 | -63.2 | 159.3 | 0 | 0 | 114.7 | K247 H248 V269 N285 H286 | K247-E267 PolarHBondContact O-N 3.43Å; H248-E267 HydrophobicContact CB-CG 4.48Å; H248-E267 IonicContact CG-OE1 3.85Å; H248-E267 IonicContact ND1-OE1 3.35Å; H248-E267 CarbonylContact O-C 3.59Å; H248-E267 VanDerWaalsContact O-CA 3.29Å; H248-E267 WeakPolarHBondContact O-CA 3.37Å; H248-E267 PolarHBondContact O-N 3.4Å; E267-V269 PolarHBondContact O-N 2.88Å; E267-N285 CarbonylContact O-C 3.49Å; E267-N285 VanDerWaalsContact O-CA 3.31Å; E267-N285 WeakPolarHBondContact O-CA 3.43Å; E267-N285 PolarHBondContact O-N 3.18Å; E267-H286 PolarHBondContact O-N 3.07Å |
| 268 | H | 98 | Very high | 97.2 | Very high | 75 Ų | 75 | 39.9 Ų | 39.9 | 35% | 0.347 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 63.2 | 35.4 | 171.6 | -57.4 | 76.9 | 0 | 0 | 0 | 114.9 | H248 H249 H286 | H248-H268 PolarHBondContact O-N 2.75Å; H249-H268 AromaticContact CD2-CE1 3.63Å; H249-H268 AromaticContact CD2-NE2 3.69Å; H249-H268 AromaticContact CG-NE2 3.78Å; H249-H268 WeakPolarHBondContact O-CA 3.22Å; H268-H286 AromaticContact CG-CE1 3.92Å; H268-H286 AromaticContact CG-NE2 3.66Å; H268-H286 AromaticContact ND1-CE1 3.79Å; H268-H286 AromaticContact ND1-NE2 3.89Å; H268-H286 WeakPolarHBondContact O-CA 3.35Å |
| 269 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -80.7 | 134.1 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 111 | V250 L251 L265 D266 E267 I271 I283 V287 | V250-V269 CarbonylContact C-O 3.57Å; V250-V269 VanDerWaalsContact CA-O 3.27Å; V250-V269 WeakPolarHBondContact CA-O 3.47Å; V250-V269 HydrophobicContact CG2-CB 4.27Å; L251-V269 PolarHBondContact N-O 3.39Å; L265-V269 HydrophobicContact CB-CG1 4.37Å; L265-V269 HydrophobicContact CD2-CG1 4.41Å; D266-V269 WeakPolarHBondContact O-CG2 3.2Å; E267-V269 PolarHBondContact O-N 2.88Å; V269-I271 HydrophobicContact CG1-CD1 3.46Å; V269-I271 VanDerWaalsContact CG1-CD1 3.46Å; V269-I271 HydrophobicContact CG1-CG1 3.94Å; V269-I283 HydrophobicContact CG1-CB 4.42Å; V269-I283 HydrophobicContact CG1-CG2 3.96Å; V269-I283 HydrophobicContact CG2-CB 4.37Å; V269-I283 HydrophobicContact CG2-CG2 3.77Å; V269-V287 CarbonylContact C-O 3.53Å; V269-V287 VanDerWaalsContact CA-O 3.3Å; V269-V287 WeakPolarHBondContact CA-O 3.49Å; V269-V287 HydrophobicContact CG2-CB 4.25Å | ||
| 270 | V | 98.6 | Very high | 96.9 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 22% | 0.218 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.4 | 180 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | L251 Q272 V287 E288 L289 | L251-V270 HydrophobicContact CB-CG2 4.47Å; L251-V270 HydrophobicContact CD2-CG1 4.36Å; L251-V270 CarbonylContact O-C 3.55Å; L251-V270 WeakPolarHBondContact O-CA 3.3Å; V270-Q272 HydrophobicContact CG1-CG 3.74Å; V270-V287 PolarHBondContact N-O 2.95Å; V270-E288 HydrophobicContact CB-CG 4.3Å; V270-E288 HydrophobicContact CG1-CG 4.48Å; V270-E288 CarbonylContact O-C 3.59Å; V270-E288 VanDerWaalsContact O-CA 3.3Å; V270-E288 WeakPolarHBondContact O-CA 3.19Å; V270-L289 PolarHBondContact O-N 2.89Å |
| 271 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 113 | 178.8 | -45.8 | -57.1 | 0 | 0 | 0 | 107.6 | L251 V252 G253 A256 V258 L265 V269 S275 I277 L289 | L251-I271 PolarHBondContact O-N 3.24Å; V252-I271 CarbonylContact C-O 3.39Å; V252-I271 VanDerWaalsContact CA-O 3.31Å; V252-I271 WeakPolarHBondContact CA-O 3.25Å; V252-I271 HydrophobicContact CG1-CB 4.27Å; V252-I271 HydrophobicContact CG1-CG2 4.5Å; V252-I271 HydrophobicContact CG2-CB 4.24Å; V252-I271 HydrophobicContact CG2-CG1 4.29Å; G253-I271 PolarHBondContact N-O 2.96Å; A256-I271 HydrophobicContact CB-CG2 3.8Å; V258-I271 HydrophobicContact CG2-CG2 4.36Å; L265-I271 HydrophobicContact CD1-CG1 3.95Å; V269-I271 HydrophobicContact CG1-CD1 3.46Å; V269-I271 VanDerWaalsContact CG1-CD1 3.46Å; V269-I271 HydrophobicContact CG1-CG1 3.94Å; I271-S275 WeakPolarHBondContact CG2-OG 3.45Å; I271-I277 HydrophobicContact CD1-CD1 3.63Å; I271-I277 HydrophobicContact CG1-CD1 3.98Å; I271-I277 HydrophobicContact CG2-CD1 4.31Å; I271-L289 HydrophobicContact CD1-CB 3.86Å; I271-L289 HydrophobicContact CD1-CD1 4.23Å; I271-L289 HydrophobicContact CD1-CD2 4.19Å; I271-L289 HydrophobicContact CD1-CG 4.32Å; I271-L289 HydrophobicContact CG2-CB 4.36Å |
| 272 | Q | 97.7 | Very high | 97.6 | Very high | 61 Ų | 61 | 35.3 Ų | 35.3 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | trans | -140.9 | 179.8 | -172.9 | -72.3 | -173.6 | -35.2 | 0 | 0 | 111.8 | V270 S275 L289 T290 | V270-Q272 HydrophobicContact CG1-CG 3.74Å; Q272-S275 VanDerWaalsContact O-CB 3.32Å; Q272-S275 WeakPolarHBondContact O-CB 3.42Å; Q272-S275 PolarHBondContact O-N 2.86Å; Q272-S275 PolarHBondContact O-OG 3.06Å; Q272-L289 PolarHBondContact N-O 2.92Å; Q272-T290 HydrophobicContact CB-CG2 4.3Å | ||
| 273 | G | 96.7 | Very high | 97.7 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 29% | 0.289 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -137.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N255 A256 | N255-G273 CarbonylContact C-O 3.29Å; N255-G273 VanDerWaalsContact C-O 3.23Å; N255-G273 WeakPolarHBondContact CA-O 3.3Å; N255-G273 PolarHBondContact N-O 2.84Å; A256-G273 PolarHBondContact N-O 2.82Å |
| 274 | E | 98 | Very high | 97.7 | Very high | 73 Ų | 73 | 33.4 Ų | 33.4 | 34% | 0.341 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 17.9 | 174.9 | -64.1 | -72.5 | 161.4 | 0 | 0 | 111.6 | N255 D291 H292 | N255-E274 WeakPolarHBondContact CB-OE1 3.35Å; N255-E274 PolarHBondContact ND2-OE1 3.17Å; E274-D291 CarbonylContact C-O 3.59Å; E274-D291 VanDerWaalsContact C-O 3.25Å; E274-D291 VanDerWaalsContact CA-O 3.26Å; E274-D291 WeakPolarHBondContact CA-O 3.37Å; E274-D291 WeakPolarHBondContact CB-O 3.4Å; E274-D291 PolarHBondContact N-O 3.46Å; E274-H292 WeakPolarHBondContact CB-ND1 3.45Å |
| 275 | S | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -64.5 | 152.6 | -173.4 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | A256 V257 I271 Q272 D291 A293 | A256-S275 VanDerWaalsContact CA-O 3.3Å; A256-S275 WeakPolarHBondContact CA-O 3.17Å; V257-S275 PolarHBondContact N-O 2.83Å; I271-S275 WeakPolarHBondContact CG2-OG 3.45Å; Q272-S275 VanDerWaalsContact O-CB 3.32Å; Q272-S275 WeakPolarHBondContact O-CB 3.42Å; Q272-S275 PolarHBondContact O-N 2.86Å; Q272-S275 PolarHBondContact O-OG 3.06Å; S275-D291 PolarHBondContact N-O 2.86Å; S275-D291 VanDerWaalsContact N-O 3.1Å; S275-A293 CarbonylContact C-O 3.25Å; S275-A293 WeakPolarHBondContact CA-O 3.4Å; S275-A293 VanDerWaalsContact CB-O 3.31Å; S275-A293 WeakPolarHBondContact CB-O 3.26Å | ||
| 276 | R | 98.3 | Very high | 97.6 | Very high | 132 Ų | 132 | 38 Ų | 38 | 50% | 0.498 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.5 | -173.3 | -60.2 | -177.4 | -179.6 | 176.7 | -1.3 | 112.2 | V257 A293 V294 V295 | V257-R276 HydrophobicContact CB-CG 4.45Å; V257-R276 CarbonylContact O-C 3.58Å; V257-R276 VanDerWaalsContact O-CA 3.31Å; V257-R276 WeakPolarHBondContact O-CA 3.23Å; R276-A293 PolarHBondContact N-O 2.94Å; R276-V294 HydrophobicContact CB-CG1 4.42Å; R276-V294 HydrophobicContact CB-CG2 4.37Å; R276-V294 CarbonylContact O-C 3.58Å; R276-V294 WeakPolarHBondContact O-CA 3.38Å; R276-V295 PolarHBondContact O-N 3.45Å |
| 277 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.8 | 170.3 | -57.4 | 179.8 | 0 | 0 | 0 | 108.8 | V257 V258 R259 I263 L265 I271 V281 I283 L289 V295 | V257-I277 PolarHBondContact O-N 3.07Å; V258-I277 HydrophobicContact CG1-CB 4.27Å; V258-I277 HydrophobicContact CG2-CB 4.36Å; V258-I277 HydrophobicContact CG2-CD1 4.35Å; R259-I277 PolarHBondContact N-O 2.91Å; I263-I277 HydrophobicContact CD1-CG2 3.84Å; I263-I277 HydrophobicContact CG1-CG2 4.25Å; I263-I277 HydrophobicContact CG2-CG2 4.25Å; L265-I277 HydrophobicContact CD1-CD1 4.37Å; L265-I277 HydrophobicContact CD2-CD1 3.82Å; I271-I277 HydrophobicContact CD1-CD1 3.63Å; I271-I277 HydrophobicContact CG1-CD1 3.98Å; I271-I277 HydrophobicContact CG2-CD1 4.31Å; I277-V281 HydrophobicContact CG2-CB 3.78Å; I277-V281 HydrophobicContact CG2-CG1 3.83Å; I277-V281 HydrophobicContact CG2-CG2 3.89Å; I277-I283 HydrophobicContact CD1-CD1 3.5Å; I277-I283 HydrophobicContact CG1-CD1 4.35Å; I277-L289 HydrophobicContact CD1-CD2 4.03Å; I277-L289 HydrophobicContact CG1-CD2 3.85Å; I277-V295 CarbonylContact C-O 3.56Å; I277-V295 VanDerWaalsContact CA-O 3.26Å; I277-V295 WeakPolarHBondContact CA-O 3.1Å; I277-V295 HydrophobicContact CG1-CB 4.41Å |
| 278 | T | 97.1 | Very high | 97.6 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 139.5 | -177.3 | 4.8 | 0 | 0 | 0 | 0 | 113.2 | R259 V281 V295 E296 A297 | R259-T278 HydrophobicContact CG-CG2 3.45Å; R259-T278 VanDerWaalsContact CG-CG2 3.45Å; R259-T278 WeakPolarHBondContact O-CA 3.4Å; T278-V281 WeakPolarHBondContact O-CG2 3.32Å; T278-V295 PolarHBondContact N-O 2.91Å; T278-E296 WeakPolarHBondContact O-CA 3.4Å; T278-A297 PolarHBondContact O-N 3.1Å |
| 279 | G | 93.6 | Very high | 97.6 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 83.5 | -157.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R259 I263 V281 | R259-G279 PolarHBondContact O-N 2.87Å; I263-G279 WeakPolarHBondContact CG1-O 3.3Å; G279-V281 PolarHBondContact O-N 3.16Å; G279-V281 VanDerWaalsContact O-N 3.1Å |
| 280 | A | 95.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -74.7 | 94.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | P262 A297 D301 T302 V303 | P262-A280 HydrophobicContact CG-CB 4.41Å; P262-A280 CarbonylContact O-C 3.4Å; P262-A280 VanDerWaalsContact O-CA 3.28Å; P262-A280 WeakPolarHBondContact O-CA 3.28Å; A280-A297 HydrophobicContact CB-CB 4.34Å; A280-A297 WeakPolarHBondContact O-CB 3.27Å; A280-D301 WeakPolarHBondContact CB-O 3.42Å; A280-T302 HydrophobicContact CB-CG2 4.48Å; A280-T302 WeakPolarHBondContact O-CA 3.26Å; A280-V303 PolarHBondContact O-N 2.94Å |
| 281 | V | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.9 | -173.1 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | P262 I263 L264 I277 T278 G279 I283 V295 A297 V303 | P262-V281 PolarHBondContact O-N 2.89Å; P262-V281 VanDerWaalsContact O-N 3.08Å; I263-V281 CarbonylContact C-O 3.49Å; I263-V281 VanDerWaalsContact CA-O 3.26Å; I263-V281 WeakPolarHBondContact CA-O 3.34Å; I263-V281 HydrophobicContact CG1-CB 4.35Å; L264-V281 PolarHBondContact N-O 3.18Å; I277-V281 HydrophobicContact CG2-CB 3.78Å; I277-V281 HydrophobicContact CG2-CG1 3.83Å; I277-V281 HydrophobicContact CG2-CG2 3.89Å; T278-V281 WeakPolarHBondContact O-CG2 3.32Å; G279-V281 PolarHBondContact O-N 3.16Å; G279-V281 VanDerWaalsContact O-N 3.1Å; V281-I283 HydrophobicContact CG1-CD1 4.1Å; V281-I283 HydrophobicContact CG1-CG1 3.67Å; V281-V295 HydrophobicContact CG1-CG1 3.6Å; V281-V295 HydrophobicContact CG2-CG1 4.22Å; V281-A297 HydrophobicContact CG2-CB 4.11Å; V281-V303 WeakPolarHBondContact CA-O 3.28Å; V281-V303 HydrophobicContact CG2-CB 4.46Å |
| 282 | I | 98 | Very high | 97.5 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 28% | 0.277 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.8 | 171.2 | -56.3 | 174.4 | 0 | 0 | 0 | 108 | L264 T302 V303 H304 V305 | L264-I282 HydrophobicContact CB-CG1 4.38Å; L264-I282 HydrophobicContact CB-CG2 4.4Å; L264-I282 HydrophobicContact CD2-CG2 4.25Å; L264-I282 CarbonylContact O-C 3.6Å; L264-I282 WeakPolarHBondContact O-CA 3.34Å; I282-T302 HydrophobicContact CD1-CG2 4.3Å; I282-T302 HydrophobicContact CG1-CG2 4.4Å; I282-V303 PolarHBondContact N-O 2.73Å; I282-H304 CarbonylContact O-C 2.87Å; I282-H304 WeakPolarHBondContact O-CA 3.3Å; I282-H304 PolarHBondContact O-CD2 3.44Å; I282-V305 PolarHBondContact O-N 3.1Å |
| 283 | I | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.4 | 173.4 | -49.4 | -166.6 | 0 | 0 | 0 | 109.1 | L264 L265 D266 V269 I277 V281 V287 L289 V295 V305 | L264-I283 PolarHBondContact O-N 2.71Å; L265-I283 WeakPolarHBondContact CA-O 3.3Å; L265-I283 HydrophobicContact CD2-CB 3.76Å; L265-I283 HydrophobicContact CD2-CD1 4.18Å; L265-I283 HydrophobicContact CD2-CG1 3.91Å; D266-I283 PolarHBondContact N-O 2.9Å; V269-I283 HydrophobicContact CG1-CB 4.42Å; V269-I283 HydrophobicContact CG1-CG2 3.96Å; V269-I283 HydrophobicContact CG2-CB 4.37Å; V269-I283 HydrophobicContact CG2-CG2 3.77Å; I277-I283 HydrophobicContact CD1-CD1 3.5Å; I277-I283 HydrophobicContact CG1-CD1 4.35Å; V281-I283 HydrophobicContact CG1-CD1 4.1Å; V281-I283 HydrophobicContact CG1-CG1 3.67Å; I283-V287 HydrophobicContact CG2-CB 3.41Å; I283-V287 VanDerWaalsContact CG2-CB 3.41Å; I283-V287 HydrophobicContact CG2-CG1 3.58Å; I283-V287 HydrophobicContact CG2-CG2 3.7Å; I283-L289 HydrophobicContact CD1-CD1 4.18Å; I283-L289 HydrophobicContact CD1-CD2 4.45Å; I283-V295 HydrophobicContact CD1-CB 4.48Å; I283-V295 HydrophobicContact CD1-CG1 4.44Å; I283-V295 HydrophobicContact CD1-CG2 4.26Å; I283-V305 VanDerWaalsContact CA-O 3.3Å; I283-V305 WeakPolarHBondContact CA-O 3.35Å; I283-V305 HydrophobicContact CG1-CB 4.3Å; I283-V305 HydrophobicContact CG2-CB 4.34Å |
| 284 | E | 97.8 | Very high | 97.5 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 20% | 0.201 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 157.4 | -177.2 | 55.1 | 164.4 | 163 | 0 | 0 | 114.7 | D266 V287 H304 V305 R306 G307 | D266-E284 HydrophobicContact CB-CB 4.19Å; D266-E284 VanDerWaalsContact O-CA 3.25Å; D266-E284 WeakPolarHBondContact O-CA 3.28Å; E284-V287 WeakPolarHBondContact O-CG2 3.31Å; E284-H304 IonicContact OE1-CD2 2.78Å; E284-H304 IonicContact OE1-CE1 3.6Å; E284-H304 PolarHBondContact OE1-CE1 2.67Å; E284-H304 IonicContact OE1-NE2 3.96Å; E284-H304 PolarHBondContact OE1-NE2 3.06Å; E284-V305 PolarHBondContact N-O 3.25Å; E284-R306 HydrophobicContact CG-CB 4.39Å; E284-R306 HydrophobicContact CG-CG 4.09Å; E284-R306 WeakPolarHBondContact O-CA 3.42Å; E284-R306 IonicContact OE1-NE 3.11Å; E284-G307 PolarHBondContact O-N 3.02Å |
| 285 | N | 96.9 | Very high | 97.5 | Very high | 38 Ų | 38 | 35 Ų | 35 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 66.9 | 70.5 | 171.1 | -53.7 | -80.1 | 0 | 0 | 0 | 114.5 | D266 E267 R306 G307 | D266-N285 PolarHBondContact O-N 2.86Å; E267-N285 CarbonylContact O-C 3.49Å; E267-N285 VanDerWaalsContact O-CA 3.31Å; E267-N285 WeakPolarHBondContact O-CA 3.43Å; E267-N285 PolarHBondContact O-N 3.18Å; N285-R306 HydrophobicContact CB-CG 4.39Å; N285-R306 PolarHBondContact ND2-NE 2.8Å; N285-G307 CarbonylContact O-C 3.53Å; N285-G307 WeakPolarHBondContact O-CA 3.28Å; N285-G307 PolarHBondContact O-N 2.75Å |
| 286 | H | 97.6 | Very high | 97.4 | Very high | 106 Ų | 106 | 37.1 Ų | 37.1 | 49% | 0.491 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 63.1 | 48.9 | 171.9 | -53.6 | 69.7 | 0 | 0 | 0 | 113.4 | E267 H268 P308 K309 | E267-H286 PolarHBondContact O-N 3.07Å; H268-H286 AromaticContact CG-CE1 3.92Å; H268-H286 AromaticContact CG-NE2 3.66Å; H268-H286 AromaticContact ND1-CE1 3.79Å; H268-H286 AromaticContact ND1-NE2 3.89Å; H268-H286 WeakPolarHBondContact O-CA 3.35Å; H286-P308 HydrophobicContact CB-CB 4.34Å; H286-P308 WeakPolarHBondContact O-CA 3.44Å; H286-K309 PolarHBondContact O-N 3.12Å |
| 287 | V | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133.6 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | V269 V270 I283 E284 L289 V305 G307 K309 I311 | V269-V287 CarbonylContact C-O 3.53Å; V269-V287 VanDerWaalsContact CA-O 3.3Å; V269-V287 WeakPolarHBondContact CA-O 3.49Å; V269-V287 HydrophobicContact CG2-CB 4.25Å; V270-V287 PolarHBondContact N-O 2.95Å; I283-V287 HydrophobicContact CG2-CB 3.41Å; I283-V287 VanDerWaalsContact CG2-CB 3.41Å; I283-V287 HydrophobicContact CG2-CG1 3.58Å; I283-V287 HydrophobicContact CG2-CG2 3.7Å; E284-V287 WeakPolarHBondContact O-CG2 3.31Å; V287-L289 HydrophobicContact CG1-CD1 3.77Å; V287-V305 HydrophobicContact CG1-CG1 4.02Å; V287-V305 HydrophobicContact CG2-CG1 4.14Å; V287-G307 VanDerWaalsContact CG2-N 3.31Å; V287-K309 CarbonylContact C-O 3.57Å; V287-K309 VanDerWaalsContact CA-O 3.28Å; V287-K309 WeakPolarHBondContact CA-O 3.26Å; V287-K309 HydrophobicContact CG2-CB 4.4Å; V287-I311 HydrophobicContact CG1-CD1 4.35Å |
| 288 | E | 98.3 | Very high | 96.9 | Very high | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.9 | 175.3 | -175.1 | 178.5 | 154.1 | 0 | 0 | 110 | V270 T290 K309 V310 I311 | V270-E288 HydrophobicContact CB-CG 4.3Å; V270-E288 HydrophobicContact CG1-CG 4.48Å; V270-E288 CarbonylContact O-C 3.59Å; V270-E288 VanDerWaalsContact O-CA 3.3Å; V270-E288 WeakPolarHBondContact O-CA 3.19Å; E288-T290 HydrophobicContact CG-CG2 3.86Å; E288-T290 VanDerWaalsContact OE1-CG2 3.32Å; E288-T290 WeakPolarHBondContact OE1-CG2 3.31Å; E288-K309 PolarHBondContact N-O 2.88Å; E288-V310 HydrophobicContact CB-CG2 4.37Å; E288-V310 CarbonylContact O-C 3.17Å; E288-V310 WeakPolarHBondContact O-CA 3.39Å; E288-I311 PolarHBondContact O-N 2.93Å |
| 289 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.6 | 167.6 | -93 | 66.1 | 0 | 0 | 0 | 109.3 | V270 I271 Q272 I277 I283 V287 A293 V295 I311 | V270-L289 PolarHBondContact O-N 2.89Å; I271-L289 HydrophobicContact CD1-CB 3.86Å; I271-L289 HydrophobicContact CD1-CD1 4.23Å; I271-L289 HydrophobicContact CD1-CD2 4.19Å; I271-L289 HydrophobicContact CD1-CG 4.32Å; I271-L289 HydrophobicContact CG2-CB 4.36Å; Q272-L289 PolarHBondContact N-O 2.92Å; I277-L289 HydrophobicContact CD1-CD2 4.03Å; I277-L289 HydrophobicContact CG1-CD2 3.85Å; I283-L289 HydrophobicContact CD1-CD1 4.18Å; I283-L289 HydrophobicContact CD1-CD2 4.45Å; V287-L289 HydrophobicContact CG1-CD1 3.77Å; L289-A293 HydrophobicContact CG-CB 4.32Å; L289-V295 HydrophobicContact CD1-CG2 4.25Å; L289-V295 HydrophobicContact CD2-CB 4.36Å; L289-V295 HydrophobicContact CD2-CG2 3.56Å; L289-V295 HydrophobicContact CG-CG2 4.28Å; L289-I311 VanDerWaalsContact CA-O 3.28Å; L289-I311 WeakPolarHBondContact CA-O 3.35Å; L289-I311 HydrophobicContact CD1-CB 3.93Å; L289-I311 HydrophobicContact CD1-CD1 3.73Å; L289-I311 HydrophobicContact CD1-CG1 4.23Å; L289-I311 HydrophobicContact CG-CB 4.11Å; L289-I311 HydrophobicContact CG-CG2 4.43Å |
| 290 | T | 97.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | trans | -134.3 | 178.2 | -179.8 | 47 | 0 | 0 | 0 | 0 | 112 | Q272 E288 H292 A293 I311 N312 | Q272-T290 HydrophobicContact CB-CG2 4.3Å; E288-T290 HydrophobicContact CG-CG2 3.86Å; E288-T290 VanDerWaalsContact OE1-CG2 3.32Å; E288-T290 WeakPolarHBondContact OE1-CG2 3.31Å; T290-H292 PolarHBondContact O-N 2.87Å; T290-A293 VanDerWaalsContact O-CB 3.26Å; T290-A293 WeakPolarHBondContact O-CB 3.38Å; T290-A293 PolarHBondContact O-N 2.97Å; T290-A293 VanDerWaalsContact O-N 3.15Å; T290-I311 PolarHBondContact N-O 3.15Å; T290-N312 WeakPolarHBondContact OG1-CB 3.26Å | ||
| 291 | D | 97.2 | Very high | 95.3 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -121.4 | 179.5 | -50.9 | -42.5 | 0 | 0 | 0 | 112.3 | E274 S275 G313 | E274-D291 CarbonylContact C-O 3.59Å; E274-D291 VanDerWaalsContact C-O 3.25Å; E274-D291 VanDerWaalsContact CA-O 3.26Å; E274-D291 WeakPolarHBondContact CA-O 3.37Å; E274-D291 WeakPolarHBondContact CB-O 3.4Å; E274-D291 PolarHBondContact N-O 3.46Å; S275-D291 PolarHBondContact N-O 2.86Å; S275-D291 VanDerWaalsContact N-O 3.1Å; D291-G313 PolarHBondContact OD2-N 3.14Å |
| 292 | H | 97.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 54 Ų | 54 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 18.2 | -180 | -60.9 | -72.3 | 0 | 0 | 0 | 112.4 | E274 T290 V294 G313 E314 | E274-H292 WeakPolarHBondContact CB-ND1 3.45Å; T290-H292 PolarHBondContact O-N 2.87Å; H292-V294 WeakPolarHBondContact O-CG2 3.49Å; H292-G313 CarbonylContact C-O 3.6Å; H292-G313 VanDerWaalsContact CA-O 3.25Å; H292-G313 WeakPolarHBondContact CA-O 3.36Å; H292-G313 WeakPolarHBondContact CB-O 3.37Å; H292-G313 PolarHBondContact N-O 3.23Å; H292-E314 WeakPolarHBondContact CB-OE1 3.38Å; H292-E314 IonicContact CD2-OE1 3.12Å; H292-E314 PolarHBondContact CD2-OE1 2.86Å; H292-E314 IonicContact CG-OE1 2.64Å |
| 293 | A | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -56.6 | 140.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S275 R276 L289 T290 I311 G313 E315 | S275-A293 CarbonylContact C-O 3.25Å; S275-A293 WeakPolarHBondContact CA-O 3.4Å; S275-A293 VanDerWaalsContact CB-O 3.31Å; S275-A293 WeakPolarHBondContact CB-O 3.26Å; R276-A293 PolarHBondContact N-O 2.94Å; L289-A293 HydrophobicContact CG-CB 4.32Å; T290-A293 VanDerWaalsContact O-CB 3.26Å; T290-A293 WeakPolarHBondContact O-CB 3.38Å; T290-A293 PolarHBondContact O-N 2.97Å; T290-A293 VanDerWaalsContact O-N 3.15Å; A293-I311 HydrophobicContact CB-CG2 3.77Å; A293-I311 WeakPolarHBondContact CB-O 3.45Å; A293-G313 PolarHBondContact N-O 2.91Å; A293-G313 VanDerWaalsContact N-O 3.12Å; A293-E315 WeakPolarHBondContact CA-O 3.35Å | ||
| 294 | V | 98 | Very high | 95 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 9% | 0.085 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.7 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | R276 H292 E296 E315 R316 I317 | R276-V294 HydrophobicContact CB-CG1 4.42Å; R276-V294 HydrophobicContact CB-CG2 4.37Å; R276-V294 CarbonylContact O-C 3.58Å; R276-V294 WeakPolarHBondContact O-CA 3.38Å; H292-V294 WeakPolarHBondContact O-CG2 3.49Å; V294-E296 HydrophobicContact CG1-CB 4.17Å; V294-E296 HydrophobicContact CG1-CG 4.2Å; V294-E315 PolarHBondContact N-O 3.05Å; V294-R316 HydrophobicContact CB-CG 4.18Å; V294-R316 CarbonylContact O-C 2.91Å; V294-R316 WeakPolarHBondContact O-CA 3.09Å; V294-I317 PolarHBondContact O-N 2.98Å |
| 295 | V | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 112.7 | 166.1 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | R276 I277 T278 V281 I283 L289 V303 V305 I311 I317 | R276-V295 PolarHBondContact O-N 3.45Å; I277-V295 CarbonylContact C-O 3.56Å; I277-V295 VanDerWaalsContact CA-O 3.26Å; I277-V295 WeakPolarHBondContact CA-O 3.1Å; I277-V295 HydrophobicContact CG1-CB 4.41Å; T278-V295 PolarHBondContact N-O 2.91Å; V281-V295 HydrophobicContact CG1-CG1 3.6Å; V281-V295 HydrophobicContact CG2-CG1 4.22Å; I283-V295 HydrophobicContact CD1-CB 4.48Å; I283-V295 HydrophobicContact CD1-CG1 4.44Å; I283-V295 HydrophobicContact CD1-CG2 4.26Å; L289-V295 HydrophobicContact CD1-CG2 4.25Å; L289-V295 HydrophobicContact CD2-CB 4.36Å; L289-V295 HydrophobicContact CD2-CG2 3.56Å; L289-V295 HydrophobicContact CG-CG2 4.28Å; V295-V303 HydrophobicContact CG1-CB 4.46Å; V295-V303 HydrophobicContact CG1-CG1 3.76Å; V295-V305 HydrophobicContact CG1-CG2 4.29Å; V295-I311 HydrophobicContact CG2-CD1 4.34Å; V295-I317 WeakPolarHBondContact CA-O 3.36Å; V295-I317 HydrophobicContact CG1-CB 4.36Å; V295-I317 HydrophobicContact CG1-CG2 4.49Å; V295-I317 HydrophobicContact CG2-CB 4.11Å; V295-I317 HydrophobicContact CG2-CG1 4.38Å |
| 296 | E | 96.2 | Very high | 94.8 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130.9 | -176.1 | 63.1 | -174 | 172.2 | 0 | 0 | 111.1 | T278 V294 F298 I317 T318 | T278-E296 WeakPolarHBondContact O-CA 3.4Å; V294-E296 HydrophobicContact CG1-CB 4.17Å; V294-E296 HydrophobicContact CG1-CG 4.2Å; E296-F298 HydrophobicContact CG-CE2 4.38Å; E296-F298 HydrophobicContact CG-CZ 4.03Å; E296-I317 PolarHBondContact N-O 2.92Å; E296-T318 HydrophobicContact CG-CG2 3.76Å; E296-T318 VanDerWaalsContact O-CA 3.29Å; E296-T318 WeakPolarHBondContact O-CA 3.25Å |
| 297 | A | 94.8 | Very high | 94.5 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 135.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T278 A280 V281 V303 | T278-A297 PolarHBondContact O-N 3.1Å; A280-A297 HydrophobicContact CB-CB 4.34Å; A280-A297 WeakPolarHBondContact O-CB 3.27Å; V281-A297 HydrophobicContact CG2-CB 4.11Å; A297-V303 HydrophobicContact CB-CB 4.34Å; A297-V303 HydrophobicContact CB-CG2 3.83Å |
| 298 | F | 90.4 | Very high | 94.4 | Very high | 114 Ų | 114 | 60.2 Ų | 60.2 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 162.3 | 175.6 | -62.1 | -69 | 0 | 0 | 0 | 111.1 | E296 G300 D301 T318 | E296-F298 HydrophobicContact CG-CE2 4.38Å; E296-F298 HydrophobicContact CG-CZ 4.03Å; F298-G300 PolarHBondContact O-N 3.08Å; F298-D301 PolarHBondContact O-N 3.13Å; F298-T318 HydrophobicContact CE2-CG2 3.81Å; F298-T318 HydrophobicContact CZ-CG2 4.28Å |
| 299 | D | 81 | Confident | 94.2 | Very high | 173 Ų | 173 | 58.5 Ų | 58.5 | 93% | 0.925 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | 119.9 | -174 | -65.3 | -14.1 | 0 | 0 | 0 | 113.3 | D301 | D299-D301 VanDerWaalsContact C-N 3.34Š|
| 300 | G | 81.1 | Confident | 94.1 | Very high | 85 Ų | 85 | 62.1 Ų | 62.1 | 88% | 0.876 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -11.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F298 | F298-G300 PolarHBondContact O-N 3.08Š|
| 301 | D | 90.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | trans | -97.2 | 159 | 175.7 | -74.9 | -24.2 | 0 | 0 | 0 | 111.6 | A280 F298 D299 | A280-D301 WeakPolarHBondContact CB-O 3.42Å; F298-D301 PolarHBondContact O-N 3.13Å; D299-D301 VanDerWaalsContact C-N 3.34Å | ||
| 302 | T | 94.1 | Very high | 94 | Very high | 81 Ų | 81 | 61.1 Ų | 61.1 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | trans | -127.2 | 129.7 | 169.2 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | A280 I282 T320 | A280-T302 HydrophobicContact CB-CG2 4.48Å; A280-T302 WeakPolarHBondContact O-CA 3.26Å; I282-T302 HydrophobicContact CD1-CG2 4.3Å; I282-T302 HydrophobicContact CG1-CG2 4.4Å; T302-T320 PolarHBondContact O-OG1 3.42Å | ||
| 303 | V | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.2 | 176.6 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | A280 V281 I282 V295 A297 V305 I317 | A280-V303 PolarHBondContact O-N 2.94Å; V281-V303 WeakPolarHBondContact CA-O 3.28Å; V281-V303 HydrophobicContact CG2-CB 4.46Å; I282-V303 PolarHBondContact N-O 2.73Å; V295-V303 HydrophobicContact CG1-CB 4.46Å; V295-V303 HydrophobicContact CG1-CG1 3.76Å; A297-V303 HydrophobicContact CB-CB 4.34Å; A297-V303 HydrophobicContact CB-CG2 3.83Å; V303-V305 HydrophobicContact CG1-CG2 4.08Å; V303-I317 HydrophobicContact CG1-CG2 3.8Å |
| 304 | H | 96.6 | Very high | 93.8 | Very high | 66 Ų | 66 | 63.8 Ų | 63.8 | 31% | 0.306 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.8 | 176.9 | -169.6 | -175.8 | 0 | 0 | 0 | 110 | I282 E284 T320 P321 | I282-H304 CarbonylContact O-C 2.87Å; I282-H304 WeakPolarHBondContact O-CA 3.3Å; I282-H304 PolarHBondContact O-CD2 3.44Å; E284-H304 IonicContact OE1-CD2 2.78Å; E284-H304 IonicContact OE1-CE1 3.6Å; E284-H304 PolarHBondContact OE1-CE1 2.67Å; E284-H304 IonicContact OE1-NE2 3.96Å; E284-H304 PolarHBondContact OE1-NE2 3.06Å; H304-T320 HydrophobicContact CB-CG2 4.08Å; H304-T320 PolarHBondContact N-OG1 2.94Å; H304-T320 WeakPolarHBondContact O-CG2 3.28Å; H304-P321 WeakPolarHBondContact O-CD 3.29Å |
| 305 | V | 96.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.5 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | I282 I283 E284 V287 V295 V303 K309 I311 I317 | I282-V305 PolarHBondContact O-N 3.1Å; I283-V305 VanDerWaalsContact CA-O 3.3Å; I283-V305 WeakPolarHBondContact CA-O 3.35Å; I283-V305 HydrophobicContact CG1-CB 4.3Å; I283-V305 HydrophobicContact CG2-CB 4.34Å; E284-V305 PolarHBondContact N-O 3.25Å; V287-V305 HydrophobicContact CG1-CG1 4.02Å; V287-V305 HydrophobicContact CG2-CG1 4.14Å; V295-V305 HydrophobicContact CG1-CG2 4.29Å; V303-V305 HydrophobicContact CG1-CG2 4.08Å; V305-K309 HydrophobicContact CG1-CD 4.22Å; V305-I311 HydrophobicContact CG1-CD1 3.84Å; V305-I317 HydrophobicContact CG2-CG2 4.12Å |
| 306 | R | 95.6 | Very high | 93.7 | Very high | 166 Ų | 166 | 73.3 Ų | 73.3 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.3 | 178.5 | -170.7 | 164.9 | -172.5 | -135.4 | 0.2 | 110.2 | E284 N285 | E284-R306 HydrophobicContact CG-CB 4.39Å; E284-R306 HydrophobicContact CG-CG 4.09Å; E284-R306 WeakPolarHBondContact O-CA 3.42Å; E284-R306 IonicContact OE1-NE 3.11Å; N285-R306 HydrophobicContact CB-CG 4.39Å; N285-R306 PolarHBondContact ND2-NE 2.8Å |
| 307 | G | 90.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 71.8 Ų | 71.8 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -92.8 | -171 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E284 N285 V287 | E284-G307 PolarHBondContact O-N 3.02Å; N285-G307 CarbonylContact O-C 3.53Å; N285-G307 WeakPolarHBondContact O-CA 3.28Å; N285-G307 PolarHBondContact O-N 2.75Å; V287-G307 VanDerWaalsContact CG2-N 3.31Å |
| 308 | P | 95.1 | Very high | 93.6 | Very high | 121 Ų | 121 | 73.4 Ų | 73.4 | 79% | 0.786 | 40% | 0.398 | S | S | * | . | S | Bend | cis | -68.7 | 133.4 | 5.6 | 28.3 | -34.9 | 0 | 0 | 0 | 112.3 | H286 | H286-P308 HydrophobicContact CB-CB 4.34Å; H286-P308 WeakPolarHBondContact O-CA 3.44Å |
| 309 | K | 94.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 77.1 Ų | 77.1 | 18% | 0.183 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 146.7 | -178.7 | -169.4 | 175.6 | 178.5 | -168.9 | 0 | 111.7 | H286 V287 E288 V305 I311 | H286-K309 PolarHBondContact O-N 3.12Å; V287-K309 CarbonylContact C-O 3.57Å; V287-K309 VanDerWaalsContact CA-O 3.28Å; V287-K309 WeakPolarHBondContact CA-O 3.26Å; V287-K309 HydrophobicContact CG2-CB 4.4Å; E288-K309 PolarHBondContact N-O 2.88Å; V305-K309 HydrophobicContact CG1-CD 4.22Å; K309-I311 HydrophobicContact CD-CD1 4.34Å; K309-I311 HydrophobicContact CD-CG1 4.18Å; K309-I311 HydrophobicContact CG-CG1 4.3Å |
| 310 | V | 96.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 72.3 Ų | 72.3 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131 | 169.6 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | E288 N312 | E288-V310 HydrophobicContact CB-CG2 4.37Å; E288-V310 CarbonylContact O-C 3.17Å; E288-V310 WeakPolarHBondContact O-CA 3.39Å; V310-N312 HydrophobicContact CG1-CB 4.24Å |
| 311 | I | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 114.8 | 175.3 | -58.6 | 170.3 | 0 | 0 | 0 | 105.9 | V287 E288 L289 T290 A293 V295 V305 K309 E315 I317 | V287-I311 HydrophobicContact CG1-CD1 4.35Å; E288-I311 PolarHBondContact O-N 2.93Å; L289-I311 VanDerWaalsContact CA-O 3.28Å; L289-I311 WeakPolarHBondContact CA-O 3.35Å; L289-I311 HydrophobicContact CD1-CB 3.93Å; L289-I311 HydrophobicContact CD1-CD1 3.73Å; L289-I311 HydrophobicContact CD1-CG1 4.23Å; L289-I311 HydrophobicContact CG-CB 4.11Å; L289-I311 HydrophobicContact CG-CG2 4.43Å; T290-I311 PolarHBondContact N-O 3.15Å; A293-I311 HydrophobicContact CB-CG2 3.77Å; A293-I311 WeakPolarHBondContact CB-O 3.45Å; V295-I311 HydrophobicContact CG2-CD1 4.34Å; V305-I311 HydrophobicContact CG1-CD1 3.84Å; K309-I311 HydrophobicContact CD-CD1 4.34Å; K309-I311 HydrophobicContact CD-CG1 4.18Å; K309-I311 HydrophobicContact CG-CG1 4.3Å; I311-E315 HydrophobicContact CG2-CB 3.9Å; I311-E315 HydrophobicContact CG2-CG 3.98Å; I311-I317 HydrophobicContact CD1-CG1 3.94Å; I311-I317 HydrophobicContact CG2-CG1 4.33Å |
| 312 | N | 96.2 | Very high | 93.4 | Very high | 81 Ų | 81 | 72.2 Ų | 72.2 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | trans | -142.4 | -176.9 | -168.9 | 67.3 | 7.6 | 0 | 0 | 0 | 112.7 | T290 V310 E314 E315 | T290-N312 WeakPolarHBondContact OG1-CB 3.26Å; V310-N312 HydrophobicContact CG1-CB 4.24Å; N312-E314 PolarHBondContact O-N 3.28Å; N312-E315 WeakPolarHBondContact O-CB 3.34Å; N312-E315 PolarHBondContact O-N 2.9Å; N312-E315 VanDerWaalsContact O-N 3.14Å | ||
| 313 | G | 95.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 73.6 Ų | 73.6 | 27% | 0.268 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -122.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | D291 H292 A293 | D291-G313 PolarHBondContact OD2-N 3.14Å; H292-G313 CarbonylContact C-O 3.6Å; H292-G313 VanDerWaalsContact CA-O 3.25Å; H292-G313 WeakPolarHBondContact CA-O 3.36Å; H292-G313 WeakPolarHBondContact CB-O 3.37Å; H292-G313 PolarHBondContact N-O 3.23Å; A293-G313 PolarHBondContact N-O 2.91Å; A293-G313 VanDerWaalsContact N-O 3.12Å |
| 314 | E | 96.5 | Very high | 90 | Very high | 127 Ų | 127 | 77.4 Ų | 77.4 | 59% | 0.593 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 17.4 | -179 | -63 | -69.4 | 155.9 | 0 | 0 | 111.9 | H292 N312 R316 | H292-E314 WeakPolarHBondContact CB-OE1 3.38Å; H292-E314 IonicContact CD2-OE1 3.12Å; H292-E314 PolarHBondContact CD2-OE1 2.86Å; H292-E314 IonicContact CG-OE1 2.64Å; N312-E314 PolarHBondContact O-N 3.28Å; E314-R316 PolarHBondContact O-N 2.84Å |
| 315 | E | 96.1 | Very high | 87.6 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 26% | 0.262 | 44% | 0.442 | S | S | . | . | trans | -60.8 | 136.8 | -177.3 | -171.1 | 177.4 | 169.6 | 0 | 0 | 111 | A293 V294 I311 N312 I317 | A293-E315 WeakPolarHBondContact CA-O 3.35Å; V294-E315 PolarHBondContact N-O 3.05Å; I311-E315 HydrophobicContact CG2-CB 3.9Å; I311-E315 HydrophobicContact CG2-CG 3.98Å; N312-E315 WeakPolarHBondContact O-CB 3.34Å; N312-E315 PolarHBondContact O-N 2.9Å; N312-E315 VanDerWaalsContact O-N 3.14Å; E315-I317 HydrophobicContact CG-CD1 4.29Å; E315-I317 WeakPolarHBondContact OE1-CD1 3.28Å | ||
| 316 | R | 96.3 | Very high | 85.3 | Confident | 157 Ų | 157 | 88.4 Ų | 88.4 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.3 | 179.1 | -60 | -165.1 | 177.2 | -149.6 | -0.6 | 110.9 | V294 E314 | V294-R316 HydrophobicContact CB-CG 4.18Å; V294-R316 CarbonylContact O-C 2.91Å; V294-R316 WeakPolarHBondContact O-CA 3.09Å; E314-R316 PolarHBondContact O-N 2.84Å |
| 317 | I | 95.2 | Very high | 84.8 | Confident | 12 Ų | 12 | 84.5 Ų | 84.5 | 6% | 0.062 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 113.2 | 173.8 | -54.8 | -59.7 | 0 | 0 | 0 | 108.7 | V294 V295 E296 V303 V305 I311 E315 R319 P321 L326 | V294-I317 PolarHBondContact O-N 2.98Å; V295-I317 WeakPolarHBondContact CA-O 3.36Å; V295-I317 HydrophobicContact CG1-CB 4.36Å; V295-I317 HydrophobicContact CG1-CG2 4.49Å; V295-I317 HydrophobicContact CG2-CB 4.11Å; V295-I317 HydrophobicContact CG2-CG1 4.38Å; E296-I317 PolarHBondContact N-O 2.92Å; V303-I317 HydrophobicContact CG1-CG2 3.8Å; V305-I317 HydrophobicContact CG2-CG2 4.12Å; I311-I317 HydrophobicContact CD1-CG1 3.94Å; I311-I317 HydrophobicContact CG2-CG1 4.33Å; E315-I317 HydrophobicContact CG-CD1 4.29Å; E315-I317 WeakPolarHBondContact OE1-CD1 3.28Å; I317-R319 VanDerWaalsContact CG2-O 3.28Å; I317-R319 WeakPolarHBondContact CG2-O 3.36Å; I317-P321 HydrophobicContact CG2-CG 4.22Å; I317-L326 HydrophobicContact CD1-CD1 4.29Å |
| 318 | T | 94.1 | Very high | 84.5 | Confident | 48 Ų | 48 | 87.9 Ų | 87.9 | 29% | 0.294 | 49% | 0.492 | S | S | . | . | trans | -112.6 | -2.4 | 179.1 | 58 | 0 | 0 | 0 | 0 | 113.8 | E296 F298 | E296-T318 HydrophobicContact CG-CG2 3.76Å; E296-T318 VanDerWaalsContact O-CA 3.29Å; E296-T318 WeakPolarHBondContact O-CA 3.25Å; F298-T318 HydrophobicContact CE2-CG2 3.81Å; F298-T318 HydrophobicContact CZ-CG2 4.28Å | ||
| 319 | R | 91.2 | Very high | 83.9 | Confident | 193 Ų | 193 | 86.1 Ų | 86.1 | 73% | 0.728 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -148.9 | 150.6 | -178 | -63.6 | -175.1 | 179.1 | 175.6 | -0.8 | 109.1 | I317 P321 | I317-R319 VanDerWaalsContact CG2-O 3.28Å; I317-R319 WeakPolarHBondContact CG2-O 3.36Å; R319-P321 VanDerWaalsContact O-CD 3.28Å; R319-P321 WeakPolarHBondContact O-CD 3.34Å; R319-P321 VanDerWaalsContact O-N 3.17Å |
| 320 | T | 90.2 | Very high | 83.2 | Confident | 71 Ų | 71 | 88.7 Ų | 88.7 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 117.5 | 171.9 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | T302 H304 L322 | T302-T320 PolarHBondContact O-OG1 3.42Å; H304-T320 HydrophobicContact CB-CG2 4.08Å; H304-T320 PolarHBondContact N-OG1 2.94Å; H304-T320 WeakPolarHBondContact O-CG2 3.28Å; T320-L322 PolarHBondContact O-N 3.18Å |
| 321 | P | 82.5 | Confident | 82.4 | Confident | 40 Ų | 40 | 89.4 Ų | 89.4 | 26% | 0.26 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 132 | 177.4 | -23.3 | 34.6 | 0 | 0 | 0 | 111 | H304 I317 R319 L326 | H304-P321 WeakPolarHBondContact O-CD 3.29Å; I317-P321 HydrophobicContact CG2-CG 4.22Å; R319-P321 VanDerWaalsContact O-CD 3.28Å; R319-P321 WeakPolarHBondContact O-CD 3.34Å; R319-P321 VanDerWaalsContact O-N 3.17Å; P321-L326 HydrophobicContact CB-CD1 4.45Å |
| 322 | L | 75.4 | Confident | 81.5 | Confident | 131 Ų | 131 | 95.4 Ų | 95.4 | 69% | 0.686 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 138 | 175.4 | -77 | 158 | 0 | 0 | 0 | 109.8 | T320 G324 L325 | T320-L322 PolarHBondContact O-N 3.18Å; L322-G324 PolarHBondContact O-N 3.12Å; L322-G324 VanDerWaalsContact O-N 3.13Å; L322-L325 HydrophobicContact CB-CD1 4.28Å; L322-L325 PolarHBondContact O-N 3.46Å |
| 323 | A | 61.8 | Low | 80.4 | Confident | 111 Ų | 111 | 96.4 Ų | 96.4 | 92% | 0.917 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 120.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 324 | G | 57 | Low | 79.2 | Confident | 80 Ų | 80 | 101.8 Ų | 101.8 | 83% | 0.825 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.2 | 2.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L322 | L322-G324 PolarHBondContact O-N 3.12Å; L322-G324 VanDerWaalsContact O-N 3.13Å |
| 325 | L | 45.3 | Very low | 77.8 | Confident | 126 Ų | 126 | 99.8 Ų | 99.8 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | trans | -118.6 | 82.2 | 173 | -84.5 | 145.4 | 0 | 0 | 0 | 109.7 | L322 | L322-L325 HydrophobicContact CB-CD1 4.28Å; L322-L325 PolarHBondContact O-N 3.46Å | ||
| 326 | L | 48.7 | Very low | 76.2 | Confident | 172 Ų | 172 | 103.7 Ų | 103.7 | 90% | 0.901 | 58% | 0.578 | S | S | * | * | trans | 167.1 | 0 | 149.3 | -86 | 162 | 0 | 0 | 0 | 107.4 | I317 P321 | I317-L326 HydrophobicContact CD1-CD1 4.29Å; P321-L326 HydrophobicContact CB-CD1 4.45Å |
Retrieved 326 of 326 residues in 1128.5 ms
(Link to these results)