| 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 | 39 | Very low | 77.3 | Confident | 233 Ų | 233 | 95.2 Ų | 95.2 | 100% | 1.148 | 47% | 0.471 | S | S | * | . | 0 | 106.4 | 0 | -70.1 | 175.1 | -164.8 | 0 | 0 | 107.3 | N3 | M1-N3 PolarHBondContact O-N 3.17Å; M1-N3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | N | 41.1 | Very low | 78.5 | Confident | 138 Ų | 138 | 87.5 Ų | 87.5 | 74% | 0.738 | 43% | 0.433 | S | S | * | . | trans | -68.2 | 108.5 | -175.5 | -79.3 | -3.9 | 0 | 0 | 0 | 110.4 | F4 | N2-F4 VanDerWaalsContact C-N 3.26Å; N2-F4 HydrophobicContact CB-CD2 3.84Å; N2-F4 HydrophobicContact CB-CE2 3.69Å; N2-F4 PolarHBondContact O-N 3.48Å | ||
| 3 | N | 56.8 | Low | 79.5 | Confident | 121 Ų | 121 | 82.7 Ų | 82.7 | 65% | 0.647 | 41% | 0.408 | S | S | * | . | trans | -75.3 | 81.1 | 166.6 | -84.3 | -11.4 | 0 | 0 | 0 | 108.7 | M1 I5 | M1-N3 PolarHBondContact O-N 3.17Å; M1-N3 VanDerWaalsContact O-N 3.17Å; N3-I5 PolarHBondContact O-N 3.34Å | ||
| 4 | F | 77.9 | Confident | 80.1 | Confident | 148 Ų | 148 | 78.3 Ų | 78.3 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | trans | -61.1 | 125.1 | 169.9 | -81 | -84.1 | 0 | 0 | 0 | 109.7 | N2 | N2-F4 VanDerWaalsContact C-N 3.26Å; N2-F4 HydrophobicContact CB-CD2 3.84Å; N2-F4 HydrophobicContact CB-CE2 3.69Å; N2-F4 PolarHBondContact O-N 3.48Å | ||
| 5 | I | 87.1 | Confident | 79.9 | Confident | 92 Ų | 92 | 75.2 Ų | 75.2 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.3 | 174.4 | -62.1 | 173.2 | 0 | 0 | 0 | 107.5 | N3 E8 V32 | N3-I5 PolarHBondContact O-N 3.34Å; I5-E8 HydrophobicContact CG2-CB 4.07Å; I5-E8 HydrophobicContact CG2-CG 4.12Å; I5-V32 HydrophobicContact CB-CG1 4.44Å; I5-V32 HydrophobicContact CD1-CG1 4.11Å; I5-V32 HydrophobicContact CG1-CG1 3.91Å; I5-V32 HydrophobicContact CG2-CG1 3.82Å |
| 6 | L | 86.6 | Confident | 79.2 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -42.5 | 178.8 | -62.6 | 176.9 | 0 | 0 | 0 | 111.5 | L33 K35 E109 | L6-L33 HydrophobicContact CB-CD2 4.43Å; L6-L33 HydrophobicContact CB-CG 4.22Å; L6-L33 HydrophobicContact CD1-CG 4.31Å; L6-L33 PolarHBondContact N-O 2.99Å; L6-K35 HydrophobicContact CD1-CG 3.89Å; L6-K35 HydrophobicContact CD2-CG 4.22Å; L6-K35 HydrophobicContact CG-CG 4.3Å; L6-E109 VanDerWaalsContact CD1-CD 3.47Å; L6-E109 HydrophobicContact CD1-CG 3.67Å |
| 7 | L | 91.8 | Very high | 78.4 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 143.1 | 175.1 | -69.6 | 177.6 | 0 | 0 | 0 | 109.3 | V32 L33 R101 W102 A105 | L7-V32 CarbonylContact O-C 3.54Å; L7-V32 WeakPolarHBondContact O-CA 3.08Å; L7-L33 HydrophobicContact CB-CB 4.12Å; L7-L33 HydrophobicContact CD1-CD2 4.32Å; L7-L33 PolarHBondContact N-O 2.97Å; L7-L33 PolarHBondContact O-N 2.97Å; L7-R101 HydrophobicContact CD1-CG 4.22Å; L7-R101 HydrophobicContact CD2-CG 3.99Å; L7-W102 HydrophobicContact CB-CH2 3.87Å; L7-W102 HydrophobicContact CB-CZ2 3.86Å; L7-W102 HydrophobicContact CB-CZ3 4.25Å; L7-W102 HydrophobicContact CD1-CD2 4.02Å; L7-W102 HydrophobicContact CD1-CE3 4.23Å; L7-W102 HydrophobicContact CD1-CG 4.3Å; L7-A105 HydrophobicContact CD1-CB 3.4Å; L7-A105 VanDerWaalsContact CD1-CB 3.4Å; L7-A105 HydrophobicContact CG-CB 4.19Å |
| 8 | E | 92.6 | Very high | 77.3 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 44% | 0.444 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 137 | 165.1 | 59.4 | 170.5 | -144.5 | 0 | 0 | 111.1 | I5 F30 F31 V32 | I5-E8 HydrophobicContact CG2-CB 4.07Å; I5-E8 HydrophobicContact CG2-CG 4.12Å; E8-F30 HydrophobicContact CB-CE1 3.67Å; E8-F30 HydrophobicContact CB-CZ 3.88Å; E8-F30 HydrophobicContact CG-CE1 4.13Å; E8-F30 HydrophobicContact CG-CZ 3.99Å; E8-F31 CarbonylContact C-O 3.53Å; E8-F31 WeakPolarHBondContact CA-O 3.34Å; E8-F31 WeakPolarHBondContact CB-O 3.41Å; E8-V32 HydrophobicContact CB-CG2 4.1Å |
| 9 | E | 92.8 | Very high | 76.4 | Confident | 39 Ų | 39 | 88.4 Ų | 88.4 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 152.2 | -175.1 | -161.4 | 173.8 | 161.8 | 0 | 0 | 110.5 | L11 F31 P94 S98 R101 W102 | E9-L11 HydrophobicContact CB-CD2 4.28Å; E9-L11 HydrophobicContact CB-CG 4.36Å; E9-L11 HydrophobicContact CG-CD2 4.14Å; E9-L11 PolarHBondContact O-N 3.1Å; E9-F31 PolarHBondContact N-O 3.41Å; E9-F31 PolarHBondContact O-N 3.29Å; E9-P94 WeakPolarHBondContact OE1-CD 2.93Å; E9-P94 WeakPolarHBondContact OE1-CG 3.48Å; E9-S98 WeakPolarHBondContact OE1-CB 3.35Å; E9-S98 PolarHBondContact OE1-OG 3.15Å; E9-S98 PolarHBondContact OE2-OG 3.03Å; E9-R101 IonicContact OE2-NH1 3.65Å; E9-W102 HydrophobicContact CB-CZ2 3.7Å; E9-W102 PolarHBondContact OE2-NE1 2.71Å |
| 10 | Q | 91.9 | Very high | 75.4 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 41% | 0.407 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115 | 169.8 | -172.7 | 173.3 | -71.2 | 0 | 0 | 109.9 | V28 R29 F30 Y76 | Q10-V28 HydrophobicContact CG-CG1 3.32Å; Q10-V28 VanDerWaalsContact NE2-CG1 3.31Å; Q10-R29 WeakPolarHBondContact CA-O 3.24Å; Q10-F30 HydrophobicContact CB-CD2 4.41Å; Q10-Y76 WeakPolarHBondContact O-CE2 3.5Å |
| 11 | L | 93 | Very high | 74.4 | Confident | 0 Ų | 0 | 96.3 Ų | 96.3 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 161.4 | 179.5 | -52.6 | 173.8 | 0 | 0 | 0 | 110.8 | E9 R29 F31 F80 V91 A93 W102 | E9-L11 HydrophobicContact CB-CD2 4.28Å; E9-L11 HydrophobicContact CB-CG 4.36Å; E9-L11 HydrophobicContact CG-CD2 4.14Å; E9-L11 PolarHBondContact O-N 3.1Å; L11-R29 PolarHBondContact N-O 3.41Å; L11-R29 PolarHBondContact O-N 3.41Å; L11-F31 HydrophobicContact CB-CD2 3.63Å; L11-F31 HydrophobicContact CB-CE2 3.89Å; L11-F31 HydrophobicContact CB-CG 4.44Å; L11-F31 HydrophobicContact CD1-CB 4.04Å; L11-F31 HydrophobicContact CD1-CD2 4.01Å; L11-F31 HydrophobicContact CD1-CG 3.98Å; L11-F31 HydrophobicContact CG-CB 4.49Å; L11-F31 HydrophobicContact CG-CD2 4.11Å; L11-F31 HydrophobicContact CG-CG 4.49Å; L11-F80 HydrophobicContact CD1-CE1 4.41Å; L11-F80 HydrophobicContact CD1-CZ 4.25Å; L11-V91 HydrophobicContact CB-CG1 3.73Å; L11-V91 HydrophobicContact CD1-CG1 3.63Å; L11-V91 HydrophobicContact CG-CG1 4.3Å; L11-A93 HydrophobicContact CD2-CB 4.04Å; L11-W102 HydrophobicContact CD1-CD2 3.88Å; L11-W102 HydrophobicContact CD1-CE3 4.4Å; L11-W102 HydrophobicContact CD1-CG 4.19Å; L11-W102 HydrophobicContact CD1-CZ2 4.08Å |
| 12 | I | 91.6 | Very high | 75.3 | Confident | 3 Ų | 3 | 87.2 Ų | 87.2 | 2% | 0.015 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.3 | 173.8 | -58.9 | 173.8 | 0 | 0 | 0 | 108.8 | F26 V28 C74 H75 Y76 V91 F92 | I12-F26 HydrophobicContact CG2-CB 3.76Å; I12-F26 HydrophobicContact CG2-CD1 4.11Å; I12-F26 HydrophobicContact CG2-CG 4.43Å; I12-V28 HydrophobicContact CG1-CG2 4.11Å; I12-C74 HydrophobicContact CD1-CB 3.99Å; I12-C74 HydrophobicContact CG2-CB 4.44Å; I12-H75 WeakPolarHBondContact CD1-CE1 3.16Å; I12-Y76 HydrophobicContact CB-CD2 4.33Å; I12-Y76 HydrophobicContact CD1-CD1 4.32Å; I12-Y76 HydrophobicContact CD1-CD2 3.81Å; I12-Y76 HydrophobicContact CD1-CE2 4.49Å; I12-Y76 HydrophobicContact CD1-CG 3.69Å; I12-Y76 HydrophobicContact CG1-CD2 3.63Å; I12-Y76 HydrophobicContact CG1-CE2 4.13Å; I12-Y76 HydrophobicContact CG1-CG 4.07Å; I12-V91 CarbonylContact O-C 3.53Å; I12-V91 WeakPolarHBondContact O-CA 3.44Å; I12-F92 HydrophobicContact CB-CB 4.2Å; I12-F92 PolarHBondContact N-O 2.67Å; I12-F92 WeakPolarHBondContact O-CD2 3.22Å; I12-F92 PolarHBondContact O-N 3.42Å |
| 13 | K | 91.4 | Very high | 76.2 | Confident | 25 Ų | 25 | 85.2 Ų | 85.2 | 11% | 0.109 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 142.1 | 168.7 | 80 | 166.5 | -168.9 | -92.6 | 0 | 112.3 | F26 K27 R29 F31 Y40 L89 Y90 | K13-F26 WeakPolarHBondContact O-CA 3.3Å; K13-K27 PolarHBondContact N-O 3.39Å; K13-K27 PolarHBondContact O-N 3.32Å; K13-R29 HydrophobicContact CD-CG 4.44Å; K13-R29 HydrophobicContact CG-CG 4.26Å; K13-F31 HydrophobicContact CB-CE2 4.33Å; K13-F31 HydrophobicContact CB-CZ 3.99Å; K13-Y40 HydrophobicContact CD-CD2 4.36Å; K13-Y40 HydrophobicContact CD-CE2 4.17Å; K13-Y40 VanDerWaalsContact NZ-CD2 3.34Å; K13-L89 HydrophobicContact CB-CD1 4.13Å; K13-L89 HydrophobicContact CD-CD1 4.02Å; K13-Y90 WeakPolarHBondContact CA-O 3.16Å |
| 14 | K | 87.9 | Confident | 76.6 | Confident | 21 Ų | 21 | 81.5 Ų | 81.5 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.7 | 168 | -170.6 | 177.8 | 178.2 | -175.1 | 0 | 109.5 | S24 F26 Y90 F92 | K14-S24 WeakPolarHBondContact CE-OG 3.38Å; K14-F26 HydrophobicContact CB-CD1 4.25Å; K14-F26 HydrophobicContact CB-CE1 4.01Å; K14-F26 HydrophobicContact CD-CE1 4.17Å; K14-F26 HydrophobicContact CD-CZ 4.19Å; K14-F26 HydrophobicContact CG-CD1 4.47Å; K14-F26 HydrophobicContact CG-CE1 3.96Å; K14-F26 HydrophobicContact CG-CZ 4.16Å; K14-Y90 HydrophobicContact CD-CD2 4.1Å; K14-Y90 PolarHBondContact N-O 3.2Å; K14-F92 HydrophobicContact CB-CE2 3.99Å |
| 15 | S | 76.9 | Confident | 76.7 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | trans | -67.2 | 144.1 | 175 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | Q17 N25 | S15-Q17 PolarHBondContact O-N 2.79Å; S15-N25 WeakPolarHBondContact CB-O 3.32Å; S15-N25 PolarHBondContact N-O 3.41Å; S15-N25 WeakPolarHBondContact OG-CB 3.23Å; S15-N25 PolarHBondContact OG-N 3.35Å; S15-N25 PolarHBondContact OG-O 3.37Å | ||
| 16 | Q | 69.5 | Low | 76.7 | Confident | 80 Ų | 80 | 76.9 Ų | 76.9 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | trans | -71.4 | 114.1 | 167.9 | -66.1 | -178.7 | -5 | 0 | 0 | 109.4 | K18 L88 | Q16-K18 PolarHBondContact O-N 3.38Å; Q16-L88 PolarHBondContact NE2-O 3.06Å | ||
| 17 | Q | 65.6 | Low | 76.7 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | trans | -65.4 | 120.3 | 172.4 | -72.1 | 169.7 | -26.8 | 0 | 0 | 108.9 | S15 S22 S24 | S15-Q17 PolarHBondContact O-N 2.79Å; Q17-S22 VanDerWaalsContact CD-O 3.23Å; Q17-S22 WeakPolarHBondContact CG-O 3.22Å; Q17-S22 PolarHBondContact NE2-O 3.39Å; Q17-S24 PolarHBondContact NE2-OG 3.23Å | ||
| 18 | K | 58.4 | Low | 76.6 | Confident | 208 Ų | 208 | 79.6 Ų | 79.6 | 90% | 0.904 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -81 | -20.6 | 177.3 | -67.6 | -172.3 | 177.3 | -173.9 | 0 | 113 | Q16 | Q16-K18 PolarHBondContact O-N 3.38Š|
| 19 | R | 59 | Low | 76.5 | Confident | 194 Ų | 194 | 76.2 Ų | 76.2 | 73% | 0.732 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -134.1 | 150.7 | 176.4 | -61.6 | -177.7 | 179.5 | -178.7 | -0.7 | 110.1 | T21 S22 | R19-T21 PolarHBondContact O-N 2.97Å; R19-T21 VanDerWaalsContact O-N 3.15Å; R19-S22 PolarHBondContact O-N 3.22Å; R19-S22 VanDerWaalsContact O-N 3.11Å |
| 20 | R | 56.2 | Low | 76.5 | Confident | 213 Ų | 213 | 75.5 Ų | 75.5 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.9 | -178.2 | -166.7 | 177.6 | -177.2 | -177.1 | 2.3 | 113.3 | D127 | R20-D127 PolarHBondContact NH2-O 3.05Š|
| 21 | T | 55.5 | Low | 76.6 | Confident | 130 Ų | 130 | 71.5 Ų | 71.5 | 80% | 0.798 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -2.4 | -178.3 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | R19 | R19-T21 PolarHBondContact O-N 2.97Å; R19-T21 VanDerWaalsContact O-N 3.15Å |
| 22 | S | 58.2 | Low | 76.7 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -76.7 | 134.2 | -178.4 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | Q17 R19 | Q17-S22 VanDerWaalsContact CD-O 3.23Å; Q17-S22 WeakPolarHBondContact CG-O 3.22Å; Q17-S22 PolarHBondContact NE2-O 3.39Å; R19-S22 PolarHBondContact O-N 3.22Å; R19-S22 VanDerWaalsContact O-N 3.11Å |
| 23 | P | 59 | Low | 76.8 | Confident | 96 Ų | 96 | 72 Ų | 72 | 62% | 0.623 | 35% | 0.349 | S | S | * | . | trans | -62.2 | 147.3 | 177.3 | 24.3 | -32.3 | 0 | 0 | 0 | 111.7 | N25 | P23-N25 PolarHBondContact O-N 3.21Š| ||
| 24 | S | 66.5 | Low | 76.8 | Confident | 43 Ų | 43 | 71.4 Ų | 71.4 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | trans | -74.1 | 108.5 | 174.4 | -83.6 | 0 | 0 | 0 | 0 | 109.6 | K14 Q17 | K14-S24 WeakPolarHBondContact CE-OG 3.38Å; Q17-S24 PolarHBondContact NE2-OG 3.23Å | ||
| 25 | N | 78.9 | Confident | 76.8 | Confident | 86 Ų | 86 | 77.6 Ų | 77.6 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | trans | -93.7 | 132.1 | 177.2 | -73.2 | -29.2 | 0 | 0 | 0 | 111.1 | S15 P23 | S15-N25 WeakPolarHBondContact CB-O 3.32Å; S15-N25 PolarHBondContact N-O 3.41Å; S15-N25 WeakPolarHBondContact OG-CB 3.23Å; S15-N25 PolarHBondContact OG-N 3.35Å; S15-N25 PolarHBondContact OG-O 3.37Å; P23-N25 PolarHBondContact O-N 3.21Å | ||
| 26 | F | 86.8 | Confident | 77.3 | Confident | 58 Ų | 58 | 78.8 Ų | 78.8 | 25% | 0.254 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127 | 176.2 | -65.3 | -91.7 | 0 | 0 | 0 | 108.9 | I12 K13 K14 P73 C74 F92 | I12-F26 HydrophobicContact CG2-CB 3.76Å; I12-F26 HydrophobicContact CG2-CD1 4.11Å; I12-F26 HydrophobicContact CG2-CG 4.43Å; K13-F26 WeakPolarHBondContact O-CA 3.3Å; K14-F26 HydrophobicContact CB-CD1 4.25Å; K14-F26 HydrophobicContact CB-CE1 4.01Å; K14-F26 HydrophobicContact CD-CE1 4.17Å; K14-F26 HydrophobicContact CD-CZ 4.19Å; K14-F26 HydrophobicContact CG-CD1 4.47Å; K14-F26 HydrophobicContact CG-CE1 3.96Å; K14-F26 HydrophobicContact CG-CZ 4.16Å; F26-P73 HydrophobicContact CD2-CG 4.49Å; F26-P73 HydrophobicContact CE1-CG 4.47Å; F26-P73 HydrophobicContact CE2-CB 4.44Å; F26-P73 HydrophobicContact CE2-CG 3.52Å; F26-P73 HydrophobicContact CZ-CG 3.5Å; F26-C74 HydrophobicContact CB-CB 4.25Å; F26-C74 HydrophobicContact CD1-CB 3.96Å; F26-C74 HydrophobicContact CG-CB 4.04Å; F26-F92 HydrophobicContact CD1-CD2 4.46Å; F26-F92 HydrophobicContact CD1-CE2 4.11Å; F26-F92 HydrophobicContact CD1-CZ 4.46Å; F26-F92 HydrophobicContact CE1-CD2 4.47Å; F26-F92 HydrophobicContact CE1-CE1 4.42Å; F26-F92 AromaticContact CE1-CE2 3.75Å; F26-F92 HydrophobicContact CE1-CE2 3.75Å; F26-F92 AromaticContact CE1-CZ 3.72Å; F26-F92 HydrophobicContact CE1-CZ 3.72Å |
| 27 | K | 87.3 | Confident | 78.4 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.1 | -176.1 | -64.4 | -167 | 179.5 | -171.1 | 0 | 110.5 | K13 | K13-K27 PolarHBondContact N-O 3.39Å; K13-K27 PolarHBondContact O-N 3.32Å |
| 28 | V | 89.3 | Confident | 79.8 | Confident | 56 Ų | 56 | 73 Ų | 73 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 130.2 | 169.3 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | Q10 I12 | Q10-V28 HydrophobicContact CG-CG1 3.32Å; Q10-V28 VanDerWaalsContact NE2-CG1 3.31Å; I12-V28 HydrophobicContact CG1-CG2 4.11Å |
| 29 | R | 91.8 | Very high | 81.5 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146.8 | 179.8 | -67.1 | -65.8 | -179.5 | -103.9 | 17.9 | 109.6 | Q10 L11 K13 F31 Y40 F41 E42 | Q10-R29 WeakPolarHBondContact CA-O 3.24Å; L11-R29 PolarHBondContact N-O 3.41Å; L11-R29 PolarHBondContact O-N 3.41Å; K13-R29 HydrophobicContact CD-CG 4.44Å; K13-R29 HydrophobicContact CG-CG 4.26Å; R29-F31 HydrophobicContact CB-CD2 4.07Å; R29-F31 HydrophobicContact CB-CE2 3.78Å; R29-Y40 HydrophobicContact CG-CD2 4.41Å; R29-F41 WeakPolarHBondContact CA-O 3.29Å; R29-F41 WeakPolarHBondContact CD-O 3.29Å; R29-E42 IonicContact CZ-OE1 2.63Å; R29-E42 IonicContact NH1-OE1 3.75Å; R29-E42 IonicContact NH2-OE1 3.73Å; R29-E42 PolarHBondContact NH2-OE1 2.91Å |
| 30 | F | 91.3 | Very high | 83.1 | Confident | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 111.5 | 171 | -162.4 | -93.4 | 0 | 0 | 0 | 108.1 | E8 Q10 V32 Y40 F41 R49 | E8-F30 HydrophobicContact CB-CE1 3.67Å; E8-F30 HydrophobicContact CB-CZ 3.88Å; E8-F30 HydrophobicContact CG-CE1 4.13Å; E8-F30 HydrophobicContact CG-CZ 3.99Å; Q10-F30 HydrophobicContact CB-CD2 4.41Å; F30-V32 HydrophobicContact CD1-CG2 3.84Å; F30-V32 HydrophobicContact CE1-CG2 3.9Å; F30-Y40 CarbonylContact O-C 3.53Å; F30-Y40 VanDerWaalsContact O-CA 3.31Å; F30-Y40 WeakPolarHBondContact O-CA 3.39Å; F30-F41 PolarHBondContact N-O 3.29Å; F30-F41 PolarHBondContact O-N 3.19Å; F30-R49 VanDerWaalsContact CE1-CZ 3.46Å |
| 31 | F | 95.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.3 | 179.2 | -81.1 | -103.3 | 0 | 0 | 0 | 109.8 | E8 E9 L11 K13 R29 L38 A39 Y40 L89 V91 W102 | E8-F31 CarbonylContact C-O 3.53Å; E8-F31 WeakPolarHBondContact CA-O 3.34Å; E8-F31 WeakPolarHBondContact CB-O 3.41Å; E9-F31 PolarHBondContact N-O 3.41Å; E9-F31 PolarHBondContact O-N 3.29Å; L11-F31 HydrophobicContact CB-CD2 3.63Å; L11-F31 HydrophobicContact CB-CE2 3.89Å; L11-F31 HydrophobicContact CB-CG 4.44Å; L11-F31 HydrophobicContact CD1-CB 4.04Å; L11-F31 HydrophobicContact CD1-CD2 4.01Å; L11-F31 HydrophobicContact CD1-CG 3.98Å; L11-F31 HydrophobicContact CG-CB 4.49Å; L11-F31 HydrophobicContact CG-CD2 4.11Å; L11-F31 HydrophobicContact CG-CG 4.49Å; K13-F31 HydrophobicContact CB-CE2 4.33Å; K13-F31 HydrophobicContact CB-CZ 3.99Å; R29-F31 HydrophobicContact CB-CD2 4.07Å; R29-F31 HydrophobicContact CB-CE2 3.78Å; F31-L38 HydrophobicContact CD1-CD1 3.98Å; F31-L38 HydrophobicContact CD1-CG 4.32Å; F31-A39 CarbonylContact C-O 3.56Å; F31-A39 WeakPolarHBondContact CA-O 3.32Å; F31-Y40 HydrophobicContact CD1-CD1 4.26Å; F31-Y40 HydrophobicContact CD1-CG 4.47Å; F31-Y40 AromaticContact CE1-CD1 3.65Å; F31-Y40 HydrophobicContact CE1-CD1 3.65Å; F31-Y40 HydrophobicContact CE1-CG 4.04Å; F31-Y40 HydrophobicContact CZ-CD1 4.06Å; F31-Y40 HydrophobicContact CZ-CG 4.15Å; F31-L89 HydrophobicContact CE1-CD2 4.37Å; F31-V91 HydrophobicContact CE1-CG2 4.19Å; F31-V91 HydrophobicContact CE2-CG1 4.26Å; F31-V91 HydrophobicContact CZ-CG1 4.12Å; F31-V91 HydrophobicContact CZ-CG2 4.05Å; F31-W102 HydrophobicContact CB-CH2 3.64Å; F31-W102 HydrophobicContact CB-CZ2 4.09Å; F31-W102 HydrophobicContact CB-CZ3 4.2Å |
| 32 | V | 94.1 | Very high | 86.4 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 118.7 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | I5 L7 E8 F30 T34 A39 F41 | I5-V32 HydrophobicContact CB-CG1 4.44Å; I5-V32 HydrophobicContact CD1-CG1 4.11Å; I5-V32 HydrophobicContact CG1-CG1 3.91Å; I5-V32 HydrophobicContact CG2-CG1 3.82Å; L7-V32 CarbonylContact O-C 3.54Å; L7-V32 WeakPolarHBondContact O-CA 3.08Å; E8-V32 HydrophobicContact CB-CG2 4.1Å; F30-V32 HydrophobicContact CD1-CG2 3.84Å; F30-V32 HydrophobicContact CE1-CG2 3.9Å; V32-T34 HydrophobicContact CG1-CG2 4.34Å; V32-A39 PolarHBondContact N-O 3.11Å; V32-A39 PolarHBondContact O-N 3.35Å; V32-F41 HydrophobicContact CB-CE2 4.03Å; V32-F41 HydrophobicContact CG2-CD2 3.96Å; V32-F41 HydrophobicContact CG2-CE2 3.65Å |
| 33 | L | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.8 | 172.5 | -178.9 | 59 | 0 | 0 | 0 | 109.2 | L6 L7 L38 L57 W102 A105 L106 | L6-L33 HydrophobicContact CB-CD2 4.43Å; L6-L33 HydrophobicContact CB-CG 4.22Å; L6-L33 HydrophobicContact CD1-CG 4.31Å; L6-L33 PolarHBondContact N-O 2.99Å; L7-L33 HydrophobicContact CB-CB 4.12Å; L7-L33 HydrophobicContact CD1-CD2 4.32Å; L7-L33 PolarHBondContact N-O 2.97Å; L7-L33 PolarHBondContact O-N 2.97Å; L33-L38 HydrophobicContact CB-CD1 4.35Å; L33-L38 HydrophobicContact CD1-CB 4.34Å; L33-L38 HydrophobicContact CD1-CD1 4.32Å; L33-L57 HydrophobicContact CD1-CD1 4.26Å; L33-L57 HydrophobicContact CD1-CD2 3.8Å; L33-W102 HydrophobicContact CB-CH2 4.2Å; L33-W102 HydrophobicContact CB-CZ3 3.79Å; L33-A105 HydrophobicContact CD2-CB 3.72Å; L33-L106 HydrophobicContact CD1-CD2 3.6Å; L33-L106 HydrophobicContact CD2-CD2 4.15Å; L33-L106 HydrophobicContact CD2-CG 4.21Å |
| 34 | T | 92.3 | Very high | 88.1 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 170.5 | 171.2 | 61.6 | 0 | 0 | 0 | 0 | 108.4 | V32 A36 S37 L57 | V32-T34 HydrophobicContact CG1-CG2 4.34Å; T34-A36 PolarHBondContact O-N 3.41Å; T34-A36 VanDerWaalsContact O-N 3.08Å; T34-A36 PolarHBondContact OG1-N 2.83Å; T34-S37 PolarHBondContact N-O 3.45Å; T34-S37 PolarHBondContact OG1-N 2.92Å; T34-S37 PolarHBondContact OG1-O 3.08Å; T34-S37 PolarHBondContact OG1-OG 3.25Å; T34-L57 VanDerWaalsContact O-CD1 3.22Å; T34-L57 WeakPolarHBondContact O-CD1 3.46Å |
| 35 | K | 86.8 | Confident | 88.1 | Confident | 151 Ų | 151 | 54.6 Ų | 54.6 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -61.5 | -13.3 | 172.8 | -70 | -169.4 | 171 | -171.3 | 0 | 114.7 | L6 | L6-K35 HydrophobicContact CD1-CG 3.89Å; L6-K35 HydrophobicContact CD2-CG 4.22Å; L6-K35 HydrophobicContact CG-CG 4.3Å |
| 36 | A | 88.1 | Confident | 87.4 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -108.8 | -34.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T34 L57 | T34-A36 PolarHBondContact O-N 3.41Å; T34-A36 VanDerWaalsContact O-N 3.08Å; T34-A36 PolarHBondContact OG1-N 2.83Å; A36-L57 PolarHBondContact O-N 3.41Å |
| 37 | S | 93.1 | Very high | 86.7 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 154.1 | -171.9 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | T34 S54 I55 | T34-S37 PolarHBondContact N-O 3.45Å; T34-S37 PolarHBondContact OG1-N 2.92Å; T34-S37 PolarHBondContact OG1-O 3.08Å; T34-S37 PolarHBondContact OG1-OG 3.25Å; S37-S54 WeakPolarHBondContact CB-OG 3.34Å; S37-I55 CarbonylContact C-O 3.52Å; S37-I55 VanDerWaalsContact CA-O 3.24Å; S37-I55 WeakPolarHBondContact CA-O 3.44Å; S37-I55 WeakPolarHBondContact CB-O 3.43Å |
| 38 | L | 94.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 104.1 | 164.9 | 177.6 | 65.9 | 0 | 0 | 0 | 109.1 | F31 L33 S54 I55 L57 V82 W102 L106 | F31-L38 HydrophobicContact CD1-CD1 3.98Å; F31-L38 HydrophobicContact CD1-CG 4.32Å; L33-L38 HydrophobicContact CB-CD1 4.35Å; L33-L38 HydrophobicContact CD1-CB 4.34Å; L33-L38 HydrophobicContact CD1-CD1 4.32Å; L38-S54 WeakPolarHBondContact O-CA 3.42Å; L38-I55 HydrophobicContact CB-CB 4.47Å; L38-I55 PolarHBondContact N-O 2.82Å; L38-I55 PolarHBondContact O-N 3.3Å; L38-L57 HydrophobicContact CB-CD2 4.26Å; L38-V82 HydrophobicContact CD2-CG2 4.4Å; L38-W102 HydrophobicContact CD1-CE3 4.43Å; L38-W102 HydrophobicContact CD1-CH2 4.49Å; L38-W102 HydrophobicContact CD1-CZ3 3.64Å; L38-L106 HydrophobicContact CB-CD2 4.39Å; L38-L106 HydrophobicContact CD1-CD2 4.36Å; L38-L106 HydrophobicContact CD2-CD1 4.28Å; L38-L106 HydrophobicContact CD2-CD2 4.07Å |
| 39 | A | 93.7 | Very high | 85.8 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 149.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F31 V32 F41 L51 G53 | F31-A39 CarbonylContact C-O 3.56Å; F31-A39 WeakPolarHBondContact CA-O 3.32Å; V32-A39 PolarHBondContact N-O 3.11Å; V32-A39 PolarHBondContact O-N 3.35Å; A39-F41 HydrophobicContact CB-CE2 3.84Å; A39-F41 HydrophobicContact CB-CZ 4.06Å; A39-L51 HydrophobicContact CB-CD1 3.98Å; A39-G53 WeakPolarHBondContact CA-O 3.47Å |
| 40 | Y | 93.1 | Very high | 85.6 | Confident | 37 Ų | 37 | 68.8 Ų | 68.8 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.8 | 172.4 | 55.3 | -100.4 | 0 | 0 | 0 | 112.8 | K13 R29 F30 F31 K52 G53 L89 | K13-Y40 HydrophobicContact CD-CD2 4.36Å; K13-Y40 HydrophobicContact CD-CE2 4.17Å; K13-Y40 VanDerWaalsContact NZ-CD2 3.34Å; R29-Y40 HydrophobicContact CG-CD2 4.41Å; F30-Y40 CarbonylContact O-C 3.53Å; F30-Y40 VanDerWaalsContact O-CA 3.31Å; F30-Y40 WeakPolarHBondContact O-CA 3.39Å; F31-Y40 HydrophobicContact CD1-CD1 4.26Å; F31-Y40 HydrophobicContact CD1-CG 4.47Å; F31-Y40 AromaticContact CE1-CD1 3.65Å; F31-Y40 HydrophobicContact CE1-CD1 3.65Å; F31-Y40 HydrophobicContact CE1-CG 4.04Å; F31-Y40 HydrophobicContact CZ-CD1 4.06Å; F31-Y40 HydrophobicContact CZ-CG 4.15Å; Y40-K52 HydrophobicContact CD2-CB 3.89Å; Y40-K52 HydrophobicContact CE2-CB 3.85Å; Y40-K52 PolarHBondContact O-N 3.13Å; Y40-G53 PolarHBondContact N-O 2.98Å; Y40-G53 PolarHBondContact O-N 2.76Å; Y40-L89 HydrophobicContact CE1-CD2 4.44Å |
| 41 | F | 91.1 | Very high | 85.6 | Confident | 45 Ų | 45 | 72.5 Ų | 72.5 | 20% | 0.197 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 149.2 | -171.6 | -56.1 | -96.6 | 0 | 0 | 0 | 111.2 | R29 F30 V32 A39 R49 T50 L51 | R29-F41 WeakPolarHBondContact CA-O 3.29Å; R29-F41 WeakPolarHBondContact CD-O 3.29Å; F30-F41 PolarHBondContact N-O 3.29Å; F30-F41 PolarHBondContact O-N 3.19Å; V32-F41 HydrophobicContact CB-CE2 4.03Å; V32-F41 HydrophobicContact CG2-CD2 3.96Å; V32-F41 HydrophobicContact CG2-CE2 3.65Å; A39-F41 HydrophobicContact CB-CE2 3.84Å; A39-F41 HydrophobicContact CB-CZ 4.06Å; F41-R49 HydrophobicContact CB-CB 4.01Å; F41-R49 HydrophobicContact CD1-CB 4.16Å; F41-R49 HydrophobicContact CG-CB 4.28Å; F41-T50 CarbonylContact C-O 3.52Å; F41-T50 VanDerWaalsContact CA-O 3.28Å; F41-T50 WeakPolarHBondContact CA-O 3.47Å; F41-L51 HydrophobicContact CD1-CB 4.06Å; F41-L51 HydrophobicContact CD1-CD1 4.07Å; F41-L51 HydrophobicContact CE1-CB 3.91Å; F41-L51 HydrophobicContact CE1-CD1 3.6Å; F41-L51 HydrophobicContact CE1-CG 4.35Å; F41-L51 HydrophobicContact CE2-CD1 4.38Å; F41-L51 HydrophobicContact CZ-CD1 3.77Å |
| 42 | E | 88.9 | Confident | 85.4 | Confident | 29 Ų | 29 | 77 Ų | 77 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118 | 163.3 | 179.9 | 166.4 | -92.3 | 0 | 0 | 108.4 | R29 R44 T50 K52 | R29-E42 IonicContact CZ-OE1 2.63Å; R29-E42 IonicContact NH1-OE1 3.75Å; R29-E42 IonicContact NH2-OE1 3.73Å; R29-E42 PolarHBondContact NH2-OE1 2.91Å; E42-R44 HydrophobicContact CG-CG 4.21Å; E42-R44 IonicContact OE2-CZ 2.7Å; E42-R44 IonicContact OE2-NE 3.43Å; E42-R44 PolarHBondContact OE2-NE 3.15Å; E42-R44 IonicContact OE2-NH2 3.98Å; E42-R44 PolarHBondContact OE2-NH2 2.91Å; E42-T50 PolarHBondContact N-O 3.33Å; E42-T50 PolarHBondContact O-N 2.78Å; E42-T50 VanDerWaalsContact O-N 3.17Å; E42-K52 HydrophobicContact CB-CD 4.16Å; E42-K52 HydrophobicContact CB-CG 3.71Å; E42-K52 WeakPolarHBondContact OE2-CE 3.46Å; E42-K52 IonicContact OE2-NZ 2.91Å; E42-K52 PolarHBondContact OE2-NZ 3.04Å |
| 43 | D | 79.6 | Confident | 85.1 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | trans | -97 | 123.5 | 175.1 | -152.6 | -25 | 0 | 0 | 0 | 108.5 | R49 | D43-R49 IonicContact OD2-CZ 3.47Å; D43-R49 IonicContact OD2-NE 3.57Å; D43-R49 PolarHBondContact OD2-NE 2.78Å; D43-R49 VanDerWaalsContact OD2-NE 3.14Å; D43-R49 IonicContact OD2-NH2 3.43Å | ||
| 44 | R | 74.4 | Confident | 85 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | trans | -127.4 | 128.4 | 174.9 | -64.8 | -172.2 | -169 | -162.6 | 3 | 106.5 | E42 G46 K47 | E42-R44 HydrophobicContact CG-CG 4.21Å; E42-R44 IonicContact OE2-CZ 2.7Å; E42-R44 IonicContact OE2-NE 3.43Å; E42-R44 PolarHBondContact OE2-NE 3.15Å; E42-R44 IonicContact OE2-NH2 3.98Å; E42-R44 PolarHBondContact OE2-NH2 2.91Å; R44-G46 PolarHBondContact O-N 3.11Å; R44-G46 VanDerWaalsContact O-N 3.14Å; R44-K47 PolarHBondContact O-N 3.15Å | ||
| 45 | H | 66.1 | Low | 85.1 | Confident | 202 Ų | 202 | 80 Ų | 80 | 94% | 0.935 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | 122 | 179.9 | -70.9 | -61.8 | 0 | 0 | 0 | 111.6 | ||
| 46 | G | 63.6 | Low | 85.3 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 91% | 0.907 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 7.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | R44 | R44-G46 PolarHBondContact O-N 3.11Å; R44-G46 VanDerWaalsContact O-N 3.14Å |
| 47 | K | 72.3 | Confident | 85.5 | Confident | 152 Ų | 152 | 74.8 Ų | 74.8 | 66% | 0.661 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -124.1 | 150.5 | 176.1 | -65.9 | -170 | 179.2 | -173.1 | 0 | 112.2 | R44 R49 | R44-K47 PolarHBondContact O-N 3.15Å; K47-R49 PolarHBondContact O-N 3.07Å |
| 48 | K | 75.6 | Confident | 85.2 | Confident | 200 Ų | 200 | 76.9 Ų | 76.9 | 87% | 0.87 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 135.6 | 172 | -73.5 | -173.8 | 178.6 | -179 | 0 | 110.1 | T50 | K48-T50 PolarHBondContact O-N 2.87Š|
| 49 | R | 83.2 | Confident | 85 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 126.8 | 178.3 | -72.7 | 178.6 | 176.9 | 165.1 | -0.7 | 110.5 | F30 F41 D43 K47 | F30-R49 VanDerWaalsContact CE1-CZ 3.46Å; F41-R49 HydrophobicContact CB-CB 4.01Å; F41-R49 HydrophobicContact CD1-CB 4.16Å; F41-R49 HydrophobicContact CG-CB 4.28Å; D43-R49 IonicContact OD2-CZ 3.47Å; D43-R49 IonicContact OD2-NE 3.57Å; D43-R49 PolarHBondContact OD2-NE 2.78Å; D43-R49 VanDerWaalsContact OD2-NE 3.14Å; D43-R49 IonicContact OD2-NH2 3.43Å; K47-R49 PolarHBondContact O-N 3.07Å |
| 50 | T | 87.2 | Confident | 85 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.5 | 179.5 | 56.6 | 0 | 0 | 0 | 0 | 110.5 | F41 E42 K48 K52 | F41-T50 CarbonylContact C-O 3.52Å; F41-T50 VanDerWaalsContact CA-O 3.28Å; F41-T50 WeakPolarHBondContact CA-O 3.47Å; E42-T50 PolarHBondContact N-O 3.33Å; E42-T50 PolarHBondContact O-N 2.78Å; E42-T50 VanDerWaalsContact O-N 3.17Å; K48-T50 PolarHBondContact O-N 2.87Å; T50-K52 PolarHBondContact O-N 3.46Å; T50-K52 WeakPolarHBondContact OG1-CE 3.23Å |
| 51 | L | 90.6 | Very high | 84.9 | Confident | 103 Ų | 103 | 82.5 Ų | 82.5 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 124.5 | 178.4 | -176.7 | 66.4 | 0 | 0 | 0 | 109.8 | A39 F41 G53 | A39-L51 HydrophobicContact CB-CD1 3.98Å; F41-L51 HydrophobicContact CD1-CB 4.06Å; F41-L51 HydrophobicContact CD1-CD1 4.07Å; F41-L51 HydrophobicContact CE1-CB 3.91Å; F41-L51 HydrophobicContact CE1-CD1 3.6Å; F41-L51 HydrophobicContact CE1-CG 4.35Å; F41-L51 HydrophobicContact CE2-CD1 4.38Å; F41-L51 HydrophobicContact CZ-CD1 3.77Å; L51-G53 WeakPolarHBondContact CD1-O 3.17Å |
| 52 | K | 90.3 | Very high | 84.9 | Confident | 96 Ų | 96 | 80.4 Ų | 80.4 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -15.8 | 178.4 | -65.8 | -58.5 | -176 | -177.3 | 0 | 113.5 | Y40 E42 T50 | Y40-K52 HydrophobicContact CD2-CB 3.89Å; Y40-K52 HydrophobicContact CE2-CB 3.85Å; Y40-K52 PolarHBondContact O-N 3.13Å; E42-K52 HydrophobicContact CB-CD 4.16Å; E42-K52 HydrophobicContact CB-CG 3.71Å; E42-K52 WeakPolarHBondContact OE2-CE 3.46Å; E42-K52 IonicContact OE2-NZ 2.91Å; E42-K52 PolarHBondContact OE2-NZ 3.04Å; T50-K52 PolarHBondContact O-N 3.46Å; T50-K52 WeakPolarHBondContact OG1-CE 3.23Å |
| 53 | G | 89 | Confident | 85.1 | Confident | 18 Ų | 18 | 79 Ų | 79 | 19% | 0.186 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | 154.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A39 Y40 L51 | A39-G53 WeakPolarHBondContact CA-O 3.47Å; Y40-G53 PolarHBondContact N-O 2.98Å; Y40-G53 PolarHBondContact O-N 2.76Å; L51-G53 WeakPolarHBondContact CD1-O 3.17Å |
| 54 | S | 92.4 | Very high | 85.8 | Confident | 63 Ų | 63 | 76.5 Ų | 76.5 | 44% | 0.441 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 137.8 | 175.4 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | S37 L38 | S37-S54 WeakPolarHBondContact CB-OG 3.34Å; L38-S54 WeakPolarHBondContact O-CA 3.42Å |
| 55 | I | 92.8 | Very high | 86.6 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.8 | 176.9 | -58.3 | 167 | 0 | 0 | 0 | 106.5 | S37 L38 L57 I60 H84 L89 | S37-I55 CarbonylContact C-O 3.52Å; S37-I55 VanDerWaalsContact CA-O 3.24Å; S37-I55 WeakPolarHBondContact CA-O 3.44Å; S37-I55 WeakPolarHBondContact CB-O 3.43Å; L38-I55 HydrophobicContact CB-CB 4.47Å; L38-I55 PolarHBondContact N-O 2.82Å; L38-I55 PolarHBondContact O-N 3.3Å; I55-L57 PolarHBondContact O-N 3.11Å; I55-I60 HydrophobicContact CG2-CD1 4.19Å; I55-I60 HydrophobicContact CG2-CG1 3.72Å; I55-H84 HydrophobicContact CG2-CB 3.77Å; I55-L89 HydrophobicContact CD1-CD2 3.81Å |
| 56 | E | 92.2 | Very high | 87.8 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 132.3 | 170.3 | -72.5 | 170.5 | -172.2 | 0 | 0 | 109.4 | S58 R59 | E56-S58 PolarHBondContact O-N 3.01Å; E56-R59 HydrophobicContact CB-CG 4.09Å; E56-R59 WeakPolarHBondContact O-CB 3.23Å; E56-R59 PolarHBondContact O-N 3.4Å; E56-R59 IonicContact OE1-NH2 3.05Å; E56-R59 PolarHBondContact OE1-NH2 3.33Å; E56-R59 IonicContact OE2-CZ 3.66Å; E56-R59 VanDerWaalsContact OE2-CZ 3.27Å; E56-R59 IonicContact OE2-NE 2.7Å; E56-R59 PolarHBondContact OE2-NE 2.9Å; E56-R59 IonicContact OE2-NH2 2.85Å; E56-R59 PolarHBondContact OE2-NH2 2.79Å |
| 57 | L | 90.7 | Very high | 88.8 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -62.2 | -32.8 | -175.1 | -64.2 | -179.9 | 0 | 0 | 0 | 112.2 | L33 T34 A36 L38 I55 R59 I60 L106 E109 T110 N113 | L33-L57 HydrophobicContact CD1-CD1 4.26Å; L33-L57 HydrophobicContact CD1-CD2 3.8Å; T34-L57 VanDerWaalsContact O-CD1 3.22Å; T34-L57 WeakPolarHBondContact O-CD1 3.46Å; A36-L57 PolarHBondContact O-N 3.41Å; L38-L57 HydrophobicContact CB-CD2 4.26Å; I55-L57 PolarHBondContact O-N 3.11Å; L57-R59 PolarHBondContact O-N 3.21Å; L57-R59 VanDerWaalsContact O-N 3.15Å; L57-I60 HydrophobicContact CD2-CD1 3.63Å; L57-I60 WeakPolarHBondContact O-CB 3.45Å; L57-I60 PolarHBondContact O-N 3Å; L57-L106 HydrophobicContact CD2-CD2 4.1Å; L57-E109 HydrophobicContact CD1-CB 3.65Å; L57-E109 HydrophobicContact CD1-CG 4.26Å; L57-T110 HydrophobicContact CB-CG2 4.31Å; L57-N113 PolarHBondContact O-ND2 2.92Å |
| 58 | S | 88 | Confident | 89 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -59.9 | -22.4 | 175.6 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | E56 S115 | E56-S58 PolarHBondContact O-N 3.01Å; S58-S115 PolarHBondContact O-OG 2.96Å |
| 59 | R | 91.3 | Very high | 88.6 | Confident | 112 Ų | 112 | 55 Ų | 55 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -89.2 | -11.2 | 179 | -59.4 | -172.9 | -166 | -156 | 3.1 | 113.5 | E56 L57 K61 H84 D85 | E56-R59 HydrophobicContact CB-CG 4.09Å; E56-R59 WeakPolarHBondContact O-CB 3.23Å; E56-R59 PolarHBondContact O-N 3.4Å; E56-R59 IonicContact OE1-NH2 3.05Å; E56-R59 PolarHBondContact OE1-NH2 3.33Å; E56-R59 IonicContact OE2-CZ 3.66Å; E56-R59 VanDerWaalsContact OE2-CZ 3.27Å; E56-R59 IonicContact OE2-NE 2.7Å; E56-R59 PolarHBondContact OE2-NE 2.9Å; E56-R59 IonicContact OE2-NH2 2.85Å; E56-R59 PolarHBondContact OE2-NH2 2.79Å; L57-R59 PolarHBondContact O-N 3.21Å; L57-R59 VanDerWaalsContact O-N 3.15Å; R59-K61 PolarHBondContact O-N 2.8Å; R59-H84 VanDerWaalsContact O-CA 3.23Å; R59-H84 WeakPolarHBondContact O-CA 3.44Å; R59-H84 WeakPolarHBondContact O-CB 3.1Å; R59-D85 WeakPolarHBondContact CD-OD2 3.44Å; R59-D85 PolarHBondContact O-N 3.18Å; R59-D85 VanDerWaalsContact O-N 3.15Å |
| 60 | I | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 122.8 | 178 | -61.6 | 179 | 0 | 0 | 0 | 108.8 | I55 L57 V63 V82 M83 H84 L106 T110 N113 | I55-I60 HydrophobicContact CG2-CD1 4.19Å; I55-I60 HydrophobicContact CG2-CG1 3.72Å; L57-I60 HydrophobicContact CD2-CD1 3.63Å; L57-I60 WeakPolarHBondContact O-CB 3.45Å; L57-I60 PolarHBondContact O-N 3Å; I60-V63 HydrophobicContact CG2-CG2 3.41Å; I60-V63 VanDerWaalsContact CG2-CG2 3.41Å; I60-V82 HydrophobicContact CD1-CG1 3.93Å; I60-V82 HydrophobicContact CG1-CG1 4.08Å; I60-V82 HydrophobicContact CG2-CG1 4.06Å; I60-M83 WeakPolarHBondContact CA-O 3.49Å; I60-H84 HydrophobicContact CG1-CB 4.31Å; I60-L106 HydrophobicContact CD1-CD2 4.27Å; I60-T110 HydrophobicContact CB-CG2 3.82Å; I60-T110 HydrophobicContact CD1-CG2 4.08Å; I60-T110 HydrophobicContact CG1-CG2 4.47Å; I60-T110 HydrophobicContact CG2-CG2 3.98Å; I60-N113 PolarHBondContact O-ND2 3.15Å; I60-N113 VanDerWaalsContact O-ND2 3.11Å |
| 61 | K | 91 | Very high | 87.5 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -26.4 | -178.3 | -59.3 | -172.3 | 173.8 | 171.1 | 0 | 113.2 | R59 M83 D85 S115 L116 V117 | R59-K61 PolarHBondContact O-N 2.8Å; K61-M83 PolarHBondContact N-O 2.67Å; K61-D85 WeakPolarHBondContact CD-O 3.35Å; K61-D85 VanDerWaalsContact CE-O 3.23Å; K61-D85 WeakPolarHBondContact CE-O 3.38Å; K61-D85 PolarHBondContact NZ-O 2.75Å; K61-S115 WeakPolarHBondContact CG-O 3.44Å; K61-L116 WeakPolarHBondContact O-CA 3.17Å; K61-L116 WeakPolarHBondContact O-CD2 3.49Å; K61-V117 HydrophobicContact CB-CG1 4.11Å; K61-V117 HydrophobicContact CB-CG2 4.47Å; K61-V117 HydrophobicContact CD-CG1 4.22Å; K61-V117 PolarHBondContact O-N 2.94Å; K61-V117 VanDerWaalsContact O-N 3.08Å |
| 62 | C | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 136.1 | 179.9 | 164.1 | 0 | 0 | 0 | 0 | 110.9 | M83 V117 Y120 Y146 | C62-M83 HydrophobicContact CB-CB 4.06Å; C62-M83 PolarHBondContact N-O 3.26Å; C62-M83 PolarHBondContact O-N 3.28Å; C62-V117 HydrophobicContact CB-CG2 3.73Å; C62-Y120 VanDerWaalsContact SG-CB 3.56Å; C62-Y146 HydrophobicContact CB-CD2 4.12Å; C62-Y146 HydrophobicContact CB-CE1 4.45Å; C62-Y146 HydrophobicContact CB-CE2 3.98Å; C62-Y146 HydrophobicContact CB-CG 4.4Å; C62-Y146 WeakPolarHBondContact SG-CD2 3.4Å; C62-Y146 WeakPolarHBondContact SG-CE2 3.49Å |
| 63 | V | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.9 | 168.7 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | I60 F80 Q81 V82 V103 L106 K107 Y146 | I60-V63 HydrophobicContact CG2-CG2 3.41Å; I60-V63 VanDerWaalsContact CG2-CG2 3.41Å; V63-F80 HydrophobicContact CG1-CD2 4.43Å; V63-Q81 WeakPolarHBondContact CA-O 3.23Å; V63-V82 HydrophobicContact CG1-CG2 4.23Å; V63-V82 HydrophobicContact CG2-CG1 4.22Å; V63-V82 HydrophobicContact CG2-CG2 4.29Å; V63-V103 HydrophobicContact CG1-CG1 4.43Å; V63-L106 HydrophobicContact CB-CB 4.32Å; V63-L106 HydrophobicContact CG1-CB 3.88Å; V63-L106 HydrophobicContact CG1-CD1 4.01Å; V63-L106 HydrophobicContact CG2-CB 4.07Å; V63-K107 HydrophobicContact CB-CG 4.4Å; V63-K107 WeakPolarHBondContact O-CE 3.18Å; V63-Y146 PolarHBondContact N-OH 2.91Å |
| 64 | E | 93.7 | Very high | 85.5 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 156 | -176.2 | -164 | 42.8 | -90.9 | 0 | 0 | 113 | F80 Q81 K107 Y120 A152 | E64-F80 CarbonylContact O-C 3.44Å; E64-F80 WeakPolarHBondContact O-CA 3.44Å; E64-Q81 PolarHBondContact N-O 3.45Å; E64-Q81 VanDerWaalsContact N-O 3.09Å; E64-Q81 WeakPolarHBondContact O-CG 3.49Å; E64-Q81 PolarHBondContact O-N 3.31Å; E64-K107 WeakPolarHBondContact OE2-CE 3.34Å; E64-K107 IonicContact OE2-NZ 3.59Å; E64-K107 PolarHBondContact OE2-NZ 2.89Å; E64-Y120 HydrophobicContact CB-CD2 4.09Å; E64-Y120 HydrophobicContact CB-CE2 3.65Å; E64-Y120 HydrophobicContact CG-CD2 4.19Å; E64-Y120 HydrophobicContact CG-CE1 4.28Å; E64-Y120 HydrophobicContact CG-CE2 3.29Å; E64-Y120 VanDerWaalsContact CG-OH 3.23Å; E64-Y120 WeakPolarHBondContact CG-OH 3.26Å; E64-A152 WeakPolarHBondContact OE1-CB 3.5Å |
| 65 | I | 92.4 | Very high | 84.9 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.2 | 173.2 | -65.3 | 175.5 | 0 | 0 | 0 | 109.4 | R99 V103 A152 | I65-R99 HydrophobicContact CG1-CG 4.45Å; I65-V103 HydrophobicContact CG1-CG2 4.11Å; I65-A152 HydrophobicContact CD1-CB 3.56Å; I65-A152 HydrophobicContact CG1-CB 3.74Å |
| 66 | V | 89.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 117.2 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | P79 Q81 Y90 P122 F124 | V66-P79 HydrophobicContact CB-CB 4.1Å; V66-P79 HydrophobicContact CB-CG 4.06Å; V66-P79 PolarHBondContact N-O 2.85Å; V66-Q81 HydrophobicContact CG2-CB 3.71Å; V66-Q81 HydrophobicContact CG2-CG 4.07Å; V66-Y90 HydrophobicContact CG1-CE1 4.44Å; V66-Y90 HydrophobicContact CG2-CD1 3.8Å; V66-Y90 HydrophobicContact CG2-CE1 3.8Å; V66-P122 CarbonylContact C-O 3.54Å; V66-P122 WeakPolarHBondContact CA-O 3.49Å; V66-F124 HydrophobicContact CG1-CD1 4.08Å; V66-F124 HydrophobicContact CG1-CD2 3.9Å; V66-F124 HydrophobicContact CG1-CE1 4.01Å; V66-F124 HydrophobicContact CG1-CE2 3.84Å; V66-F124 HydrophobicContact CG1-CG 4.03Å; V66-F124 HydrophobicContact CG1-CZ 3.89Å |
| 67 | K | 85.8 | Confident | 84.4 | Confident | 134 Ų | 134 | 55.1 Ų | 55.1 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 125.8 | 169.1 | -59.7 | -176.8 | -177.9 | 178.3 | 0 | 107.7 | P122 N123 | K67-P122 HydrophobicContact CD-CB 4.2Å; K67-P122 HydrophobicContact CG-CB 4.41Å; K67-P122 PolarHBondContact N-O 2.96Å; K67-N123 WeakPolarHBondContact O-CA 3.38Å; K67-N123 PolarHBondContact O-ND2 3.01Å; K67-N123 PolarHBondContact O-OD1 2.75Å |
| 68 | S | 75.6 | Confident | 84.4 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | trans | -140.9 | 123.4 | -176.1 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | I70 | S68-I70 WeakPolarHBondContact OG-CG1 3.46Å; S68-I70 PolarHBondContact OG-N 3.3Å; S68-I70 PolarHBondContact OG-O 3.24Å | ||
| 69 | D | 68.3 | Low | 84.6 | Confident | 146 Ų | 146 | 55.7 Ų | 55.7 | 78% | 0.781 | 28% | 0.279 | S | S | * | . | trans | -100.3 | 5.9 | 172.6 | -45.6 | -47.9 | 0 | 0 | 0 | 111.4 | ||||
| 70 | I | 72.9 | Confident | 84.8 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -103.3 | 151.8 | 179.5 | 60.4 | 170.3 | 0 | 0 | 0 | 111.4 | S68 I72 F124 M126 | S68-I70 WeakPolarHBondContact OG-CG1 3.46Å; S68-I70 PolarHBondContact OG-N 3.3Å; S68-I70 PolarHBondContact OG-O 3.24Å; I70-I72 PolarHBondContact O-N 3.26Å; I70-F124 HydrophobicContact CD1-CD2 3.97Å; I70-F124 HydrophobicContact CD1-CE2 4.45Å; I70-F124 HydrophobicContact CG1-CD2 4.4Å; I70-M126 HydrophobicContact CD1-CE 3.25Å; I70-M126 HydrophobicContact CD1-SD 4.04Å |
| 71 | S | 72.8 | Confident | 84.8 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 77% | 0.769 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 121.8 | 169.8 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 72 | I | 79.7 | Confident | 84.9 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 124.5 | 179.1 | -67.4 | 167.2 | 0 | 0 | 0 | 108.6 | I70 C74 K77 P79 F92 | I70-I72 PolarHBondContact O-N 3.26Å; I72-C74 VanDerWaalsContact CG2-SG 3.52Å; I72-C74 PolarHBondContact O-N 2.99Å; I72-K77 HydrophobicContact CB-CD 4.14Å; I72-K77 VanDerWaalsContact CD1-O 3.27Å; I72-K77 WeakPolarHBondContact CD1-O 3.46Å; I72-K77 HydrophobicContact CG2-CD 4.5Å; I72-K77 PolarHBondContact O-NZ 2.73Å; I72-P79 HydrophobicContact CD1-CG 3.74Å; I72-F92 HydrophobicContact CD1-CD1 4.46Å; I72-F92 HydrophobicContact CD1-CE1 4.32Å; I72-F92 HydrophobicContact CG1-CE1 4.39Å; I72-F92 HydrophobicContact CG2-CD1 3.64Å; I72-F92 HydrophobicContact CG2-CE1 3.45Å; I72-F92 VanDerWaalsContact CG2-CE1 3.45Å |
| 73 | P | 70.1 | Confident | 84.9 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 66% | 0.662 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -80.2 | 8.2 | -171.3 | 33 | -38.3 | 0 | 0 | 0 | 114.8 | F26 | F26-P73 HydrophobicContact CD2-CG 4.49Å; F26-P73 HydrophobicContact CE1-CG 4.47Å; F26-P73 HydrophobicContact CE2-CB 4.44Å; F26-P73 HydrophobicContact CE2-CG 3.52Å; F26-P73 HydrophobicContact CZ-CG 3.5Å |
| 74 | C | 78.3 | Confident | 84.8 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -115.2 | 166.2 | 172.6 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | I12 F26 I72 Y76 K77 | I12-C74 HydrophobicContact CD1-CB 3.99Å; I12-C74 HydrophobicContact CG2-CB 4.44Å; F26-C74 HydrophobicContact CB-CB 4.25Å; F26-C74 HydrophobicContact CD1-CB 3.96Å; F26-C74 HydrophobicContact CG-CB 4.04Å; I72-C74 VanDerWaalsContact CG2-SG 3.52Å; I72-C74 PolarHBondContact O-N 2.99Å; C74-Y76 VanDerWaalsContact C-N 3.3Å; C74-Y76 PolarHBondContact O-N 3.41Å; C74-Y76 PolarHBondContact SG-O 3.37Å; C74-K77 WeakPolarHBondContact O-CE 3.37Å; C74-K77 PolarHBondContact O-NZ 2.69Å |
| 75 | H | 80.7 | Confident | 84.5 | Confident | 123 Ų | 123 | 52.7 Ų | 52.7 | 57% | 0.569 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -71.4 | -22.3 | -176.2 | 55.6 | -86.3 | 0 | 0 | 0 | 113.4 | I12 | I12-H75 WeakPolarHBondContact CD1-CE1 3.16Š|
| 76 | Y | 87.4 | Confident | 84.1 | Confident | 40 Ų | 40 | 57 Ų | 57 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | trans | -89.1 | 113.7 | 173.6 | -73.3 | 1.5 | 0 | 0 | 0 | 110.8 | Q10 I12 C74 F92 A93 P94 | Q10-Y76 WeakPolarHBondContact O-CE2 3.5Å; I12-Y76 HydrophobicContact CB-CD2 4.33Å; I12-Y76 HydrophobicContact CD1-CD1 4.32Å; I12-Y76 HydrophobicContact CD1-CD2 3.81Å; I12-Y76 HydrophobicContact CD1-CE2 4.49Å; I12-Y76 HydrophobicContact CD1-CG 3.69Å; I12-Y76 HydrophobicContact CG1-CD2 3.63Å; I12-Y76 HydrophobicContact CG1-CE2 4.13Å; I12-Y76 HydrophobicContact CG1-CG 4.07Å; C74-Y76 VanDerWaalsContact C-N 3.3Å; C74-Y76 PolarHBondContact O-N 3.41Å; C74-Y76 PolarHBondContact SG-O 3.37Å; Y76-F92 WeakPolarHBondContact CD2-O 3.4Å; Y76-F92 WeakPolarHBondContact O-CD1 3.16Å; Y76-A93 VanDerWaalsContact CB-O 3.28Å; Y76-A93 WeakPolarHBondContact CB-O 3.42Å; Y76-P94 HydrophobicContact CD1-CB 4.12Å; Y76-P94 HydrophobicContact CD2-CB 4.45Å; Y76-P94 HydrophobicContact CE1-CB 3.73Å; Y76-P94 HydrophobicContact CE2-CB 4.1Å; Y76-P94 HydrophobicContact CE2-CG 4.4Å; Y76-P94 HydrophobicContact CG-CB 4.49Å | ||
| 77 | K | 86.1 | Confident | 83.9 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | trans | -94.8 | 4.9 | -170.2 | -56.8 | -56.3 | -172.1 | -168.7 | 0 | 114.4 | I72 C74 P79 | I72-K77 HydrophobicContact CB-CD 4.14Å; I72-K77 VanDerWaalsContact CD1-O 3.27Å; I72-K77 WeakPolarHBondContact CD1-O 3.46Å; I72-K77 HydrophobicContact CG2-CD 4.5Å; I72-K77 PolarHBondContact O-NZ 2.73Å; C74-K77 WeakPolarHBondContact O-CE 3.37Å; C74-K77 PolarHBondContact O-NZ 2.69Å; K77-P79 WeakPolarHBondContact O-CD 3.48Å | ||
| 78 | Y | 90.9 | Very high | 84 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 86 | -172.8 | -57.1 | -83.1 | 0 | 0 | 0 | 111.5 | A93 P94 D95 R96 | Y78-A93 PolarHBondContact O-N 3.01Å; Y78-P94 WeakPolarHBondContact CD2-O 3.11Å; Y78-P94 WeakPolarHBondContact CE2-O 3.46Å; Y78-D95 VanDerWaalsContact CE2-CA 3.43Å; Y78-D95 HydrophobicContact CE2-CB 4.5Å; Y78-R96 HydrophobicContact CD1-CB 4.06Å; Y78-R96 HydrophobicContact CE1-CB 3.83Å |
| 79 | P | 93.1 | Very high | 84.8 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 146.1 | -175.1 | 32.8 | -35.2 | 0 | 0 | 0 | 113.3 | V66 I72 K77 V91 F92 R99 F124 | V66-P79 HydrophobicContact CB-CB 4.1Å; V66-P79 HydrophobicContact CB-CG 4.06Å; V66-P79 PolarHBondContact N-O 2.85Å; I72-P79 HydrophobicContact CD1-CG 3.74Å; K77-P79 WeakPolarHBondContact O-CD 3.48Å; P79-V91 CarbonylContact C-O 3.47Å; P79-V91 VanDerWaalsContact CA-O 3.27Å; P79-V91 WeakPolarHBondContact CA-O 3.13Å; P79-F92 HydrophobicContact CB-CD1 3.73Å; P79-F92 HydrophobicContact CB-CE1 3.7Å; P79-F92 HydrophobicContact CB-CG 4.41Å; P79-F92 HydrophobicContact CB-CZ 4.32Å; P79-F92 HydrophobicContact CG-CE1 4.46Å; P79-R99 VanDerWaalsContact O-CD 3.31Å; P79-R99 WeakPolarHBondContact O-CD 3.48Å; P79-F124 HydrophobicContact CB-CZ 3.85Å; P79-F124 HydrophobicContact CG-CE2 4.45Å; P79-F124 HydrophobicContact CG-CZ 4.01Å |
| 80 | F | 94.4 | Very high | 86 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 161.4 | 163.4 | 67.3 | -83 | 0 | 0 | 0 | 109.8 | L11 V63 E64 V82 V91 R99 W102 V103 L106 | L11-F80 HydrophobicContact CD1-CE1 4.41Å; L11-F80 HydrophobicContact CD1-CZ 4.25Å; V63-F80 HydrophobicContact CG1-CD2 4.43Å; E64-F80 CarbonylContact O-C 3.44Å; E64-F80 WeakPolarHBondContact O-CA 3.44Å; F80-V82 HydrophobicContact CD2-CG2 4.12Å; F80-V82 HydrophobicContact CE2-CG2 3.9Å; F80-V91 HydrophobicContact CD1-CB 4.08Å; F80-V91 HydrophobicContact CD1-CG1 4.42Å; F80-V91 HydrophobicContact CD2-CB 4.32Å; F80-V91 HydrophobicContact CE1-CB 3.59Å; F80-V91 HydrophobicContact CE1-CG1 3.53Å; F80-V91 HydrophobicContact CE2-CB 3.85Å; F80-V91 HydrophobicContact CE2-CG1 4.32Å; F80-V91 HydrophobicContact CE2-CG2 4.15Å; F80-V91 HydrophobicContact CG-CB 4.45Å; F80-V91 HydrophobicContact CZ-CB 3.47Å; F80-V91 VanDerWaalsContact CZ-CB 3.47Å; F80-V91 HydrophobicContact CZ-CG1 3.48Å; F80-V91 VanDerWaalsContact CZ-CG1 3.48Å; F80-V91 HydrophobicContact CZ-CG2 4.11Å; F80-V91 PolarHBondContact N-O 3.16Å; F80-V91 PolarHBondContact O-N 2.84Å; F80-V91 VanDerWaalsContact O-O 3.08Å; F80-R99 HydrophobicContact CB-CG 4.24Å; F80-R99 HydrophobicContact CD1-CG 4.02Å; F80-W102 HydrophobicContact CE1-CB 4.12Å; F80-W102 HydrophobicContact CE2-CB 4.48Å; F80-W102 HydrophobicContact CZ-CB 3.86Å; F80-W102 HydrophobicContact CZ-CG 4.33Å; F80-V103 HydrophobicContact CB-CG2 3.5Å; F80-V103 VanDerWaalsContact CB-CG2 3.5Å; F80-V103 HydrophobicContact CD1-CG2 4.45Å; F80-V103 HydrophobicContact CD2-CG2 3.98Å; F80-V103 HydrophobicContact CG-CG2 3.76Å; F80-L106 HydrophobicContact CE2-CD1 3.92Å |
| 81 | Q | 93.7 | Very high | 87 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143.1 | 179.8 | 68.2 | -170.4 | -51.3 | 0 | 0 | 110.8 | V63 E64 V66 L88 L89 Y90 H121 | V63-Q81 WeakPolarHBondContact CA-O 3.23Å; E64-Q81 PolarHBondContact N-O 3.45Å; E64-Q81 VanDerWaalsContact N-O 3.09Å; E64-Q81 WeakPolarHBondContact O-CG 3.49Å; E64-Q81 PolarHBondContact O-N 3.31Å; V66-Q81 HydrophobicContact CG2-CB 3.71Å; V66-Q81 HydrophobicContact CG2-CG 4.07Å; Q81-L88 HydrophobicContact CB-CD1 4.1Å; Q81-L89 CarbonylContact C-O 3.58Å; Q81-L89 VanDerWaalsContact CA-O 3.31Å; Q81-L89 WeakPolarHBondContact CA-O 3.46Å; Q81-Y90 HydrophobicContact CB-CD1 3.96Å; Q81-Y90 HydrophobicContact CB-CE1 4.03Å; Q81-H121 PolarHBondContact NE2-O 3.49Å; Q81-H121 PolarHBondContact OE1-O 3.09Å |
| 82 | V | 94 | Very high | 88 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 111.5 | 170.1 | -178.8 | 0 | 0 | 0 | 0 | 106.8 | L38 I60 V63 F80 L89 L106 | L38-V82 HydrophobicContact CD2-CG2 4.4Å; I60-V82 HydrophobicContact CD1-CG1 3.93Å; I60-V82 HydrophobicContact CG1-CG1 4.08Å; I60-V82 HydrophobicContact CG2-CG1 4.06Å; V63-V82 HydrophobicContact CG1-CG2 4.23Å; V63-V82 HydrophobicContact CG2-CG1 4.22Å; V63-V82 HydrophobicContact CG2-CG2 4.29Å; F80-V82 HydrophobicContact CD2-CG2 4.12Å; F80-V82 HydrophobicContact CE2-CG2 3.9Å; V82-L89 HydrophobicContact CB-CB 4.35Å; V82-L89 PolarHBondContact N-O 2.7Å; V82-L89 PolarHBondContact O-N 3.11Å; V82-L106 HydrophobicContact CG2-CD1 4Å |
| 83 | M | 90.8 | Very high | 88.6 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 18% | 0.177 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.2 | 173.8 | -171.7 | -177.8 | -65 | 0 | 0 | 108.3 | I60 K61 C62 Y87 L88 V117 | I60-M83 WeakPolarHBondContact CA-O 3.49Å; K61-M83 PolarHBondContact N-O 2.67Å; C62-M83 HydrophobicContact CB-CB 4.06Å; C62-M83 PolarHBondContact N-O 3.26Å; C62-M83 PolarHBondContact O-N 3.28Å; M83-Y87 WeakPolarHBondContact CA-O 3.13Å; M83-L88 HydrophobicContact CB-CD1 4.08Å; M83-L88 HydrophobicContact CE-CD1 4.24Å; M83-L88 HydrophobicContact CG-CD1 4.46Å; M83-V117 HydrophobicContact SD-CG2 4.39Å |
| 84 | H | 91.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 12% | 0.116 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.1 | 177.6 | 71 | 92.4 | 0 | 0 | 0 | 109.4 | I55 R59 I60 N86 Y87 | I55-H84 HydrophobicContact CG2-CB 3.77Å; R59-H84 VanDerWaalsContact O-CA 3.23Å; R59-H84 WeakPolarHBondContact O-CA 3.44Å; R59-H84 WeakPolarHBondContact O-CB 3.1Å; I60-H84 HydrophobicContact CG1-CB 4.31Å; H84-N86 PolarHBondContact O-N 3.42Å; H84-Y87 AromaticContact CE1-CD2 3.93Å; H84-Y87 PolarHBondContact N-O 3.42Å; H84-Y87 WeakPolarHBondContact NE2-CB 3.45Å; H84-Y87 WeakPolarHBondContact O-CA 3.43Å; H84-Y87 WeakPolarHBondContact O-CB 3.36Å; H84-Y87 PolarHBondContact O-N 3.05Å; H84-Y87 VanDerWaalsContact O-O 3.06Å |
| 85 | D | 85.9 | Confident | 90 | Very high | 58 Ų | 58 | 40.7 Ų | 40.7 | 31% | 0.31 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -113.6 | -174.9 | -54.1 | -54.2 | 0 | 0 | 0 | 112 | R59 K61 Y87 | R59-D85 WeakPolarHBondContact CD-OD2 3.44Å; R59-D85 PolarHBondContact O-N 3.18Å; R59-D85 VanDerWaalsContact O-N 3.15Å; K61-D85 WeakPolarHBondContact CD-O 3.35Å; K61-D85 VanDerWaalsContact CE-O 3.23Å; K61-D85 WeakPolarHBondContact CE-O 3.38Å; K61-D85 PolarHBondContact NZ-O 2.75Å; D85-Y87 HydrophobicContact CB-CD2 4.4Å |
| 86 | N | 84.6 | Confident | 90.3 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 57% | 0.572 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 23.8 | 174.5 | -64.7 | -23.8 | 0 | 0 | 0 | 112 | H84 L139 | H84-N86 PolarHBondContact O-N 3.42Å; N86-L139 HydrophobicContact CB-CD1 4.26Å; N86-L139 HydrophobicContact CB-CD2 4.34Å |
| 87 | Y | 85.9 | Confident | 90.3 | Very high | 126 Ų | 126 | 45.9 Ų | 45.9 | 49% | 0.494 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146 | -174.5 | -68 | -70.8 | 0 | 0 | 0 | 111.1 | M83 H84 D85 | M83-Y87 WeakPolarHBondContact CA-O 3.13Å; H84-Y87 AromaticContact CE1-CD2 3.93Å; H84-Y87 PolarHBondContact N-O 3.42Å; H84-Y87 WeakPolarHBondContact NE2-CB 3.45Å; H84-Y87 WeakPolarHBondContact O-CA 3.43Å; H84-Y87 WeakPolarHBondContact O-CB 3.36Å; H84-Y87 PolarHBondContact O-N 3.05Å; H84-Y87 VanDerWaalsContact O-O 3.06Å; D85-Y87 HydrophobicContact CB-CD2 4.4Å |
| 88 | L | 88.4 | Confident | 90.5 | Very high | 16 Ų | 16 | 41 Ų | 41 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.7 | 176.6 | -172.3 | 66.3 | 0 | 0 | 0 | 109.1 | Q16 Q81 M83 Y90 W130 | Q16-L88 PolarHBondContact NE2-O 3.06Å; Q81-L88 HydrophobicContact CB-CD1 4.1Å; M83-L88 HydrophobicContact CB-CD1 4.08Å; M83-L88 HydrophobicContact CE-CD1 4.24Å; M83-L88 HydrophobicContact CG-CD1 4.46Å; L88-Y90 HydrophobicContact CD2-CE1 4.14Å; L88-Y90 HydrophobicContact CD2-CE2 3.63Å; L88-Y90 WeakPolarHBondContact CD2-OH 3.47Å; L88-Y90 HydrophobicContact CG-CE2 4.12Å; L88-W130 HydrophobicContact CD2-CH2 3.42Å; L88-W130 VanDerWaalsContact CD2-CH2 3.42Å; L88-W130 HydrophobicContact CD2-CZ2 4.28Å; L88-W130 HydrophobicContact CD2-CZ3 4.12Å |
| 89 | L | 92.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.1 | 177 | 178.3 | 65 | 0 | 0 | 0 | 109 | K13 F31 Y40 I55 Q81 V82 V91 | K13-L89 HydrophobicContact CB-CD1 4.13Å; K13-L89 HydrophobicContact CD-CD1 4.02Å; F31-L89 HydrophobicContact CE1-CD2 4.37Å; Y40-L89 HydrophobicContact CE1-CD2 4.44Å; I55-L89 HydrophobicContact CD1-CD2 3.81Å; Q81-L89 CarbonylContact C-O 3.58Å; Q81-L89 VanDerWaalsContact CA-O 3.31Å; Q81-L89 WeakPolarHBondContact CA-O 3.46Å; V82-L89 HydrophobicContact CB-CB 4.35Å; V82-L89 PolarHBondContact N-O 2.7Å; V82-L89 PolarHBondContact O-N 3.11Å; L89-V91 HydrophobicContact CD2-CG2 3.9Å; L89-V91 HydrophobicContact CG-CG2 3.8Å |
| 90 | Y | 93.1 | Very high | 90.5 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.4 | 169.1 | -64.5 | -72 | 0 | 0 | 0 | 109.6 | K13 K14 V66 Q81 L88 F124 W125 W130 | K13-Y90 WeakPolarHBondContact CA-O 3.16Å; K14-Y90 HydrophobicContact CD-CD2 4.1Å; K14-Y90 PolarHBondContact N-O 3.2Å; V66-Y90 HydrophobicContact CG1-CE1 4.44Å; V66-Y90 HydrophobicContact CG2-CD1 3.8Å; V66-Y90 HydrophobicContact CG2-CE1 3.8Å; Q81-Y90 HydrophobicContact CB-CD1 3.96Å; Q81-Y90 HydrophobicContact CB-CE1 4.03Å; L88-Y90 HydrophobicContact CD2-CE1 4.14Å; L88-Y90 HydrophobicContact CD2-CE2 3.63Å; L88-Y90 WeakPolarHBondContact CD2-OH 3.47Å; L88-Y90 HydrophobicContact CG-CE2 4.12Å; Y90-F124 AromaticContact CD1-CD1 3.75Å; Y90-F124 HydrophobicContact CD1-CD1 3.75Å; Y90-F124 AromaticContact CD1-CE1 3.62Å; Y90-F124 HydrophobicContact CD1-CE1 3.62Å; Y90-F124 HydrophobicContact CD2-CD1 4.25Å; Y90-F124 HydrophobicContact CD2-CE1 4.46Å; Y90-F124 AromaticContact CE1-CD1 3.53Å; Y90-F124 HydrophobicContact CE1-CD1 3.53Å; Y90-F124 AromaticContact CE1-CE1 3.89Å; Y90-F124 HydrophobicContact CE1-CE1 3.89Å; Y90-F124 HydrophobicContact CE2-CD1 4.08Å; Y90-F124 HydrophobicContact CG-CD1 4.08Å; Y90-F124 AromaticContact CG-CE1 3.91Å; Y90-F124 HydrophobicContact CG-CE1 3.91Å; Y90-F124 AromaticContact CZ-CD1 3.71Å; Y90-F124 WeakPolarHBondContact OH-CA 3.29Å; Y90-W125 PolarHBondContact OH-N 2.63Å; Y90-W130 WeakPolarHBondContact OH-CZ3 3.22Å |
| 91 | V | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 142.1 | 178.5 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | L11 I12 F31 P79 F80 L89 | L11-V91 HydrophobicContact CB-CG1 3.73Å; L11-V91 HydrophobicContact CD1-CG1 3.63Å; L11-V91 HydrophobicContact CG-CG1 4.3Å; I12-V91 CarbonylContact O-C 3.53Å; I12-V91 WeakPolarHBondContact O-CA 3.44Å; F31-V91 HydrophobicContact CE1-CG2 4.19Å; F31-V91 HydrophobicContact CE2-CG1 4.26Å; F31-V91 HydrophobicContact CZ-CG1 4.12Å; F31-V91 HydrophobicContact CZ-CG2 4.05Å; P79-V91 CarbonylContact C-O 3.47Å; P79-V91 VanDerWaalsContact CA-O 3.27Å; P79-V91 WeakPolarHBondContact CA-O 3.13Å; F80-V91 HydrophobicContact CD1-CB 4.08Å; F80-V91 HydrophobicContact CD1-CG1 4.42Å; F80-V91 HydrophobicContact CD2-CB 4.32Å; F80-V91 HydrophobicContact CE1-CB 3.59Å; F80-V91 HydrophobicContact CE1-CG1 3.53Å; F80-V91 HydrophobicContact CE2-CB 3.85Å; F80-V91 HydrophobicContact CE2-CG1 4.32Å; F80-V91 HydrophobicContact CE2-CG2 4.15Å; F80-V91 HydrophobicContact CG-CB 4.45Å; F80-V91 HydrophobicContact CZ-CB 3.47Å; F80-V91 VanDerWaalsContact CZ-CB 3.47Å; F80-V91 HydrophobicContact CZ-CG1 3.48Å; F80-V91 VanDerWaalsContact CZ-CG1 3.48Å; F80-V91 HydrophobicContact CZ-CG2 4.11Å; F80-V91 PolarHBondContact N-O 3.16Å; F80-V91 PolarHBondContact O-N 2.84Å; F80-V91 VanDerWaalsContact O-O 3.08Å; L89-V91 HydrophobicContact CD2-CG2 3.9Å; L89-V91 HydrophobicContact CG-CG2 3.8Å |
| 92 | F | 93.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.7 | -178 | -56.1 | -107.7 | 0 | 0 | 0 | 107.7 | I12 K14 F26 I72 Y76 P79 F124 | I12-F92 HydrophobicContact CB-CB 4.2Å; I12-F92 PolarHBondContact N-O 2.67Å; I12-F92 WeakPolarHBondContact O-CD2 3.22Å; I12-F92 PolarHBondContact O-N 3.42Å; K14-F92 HydrophobicContact CB-CE2 3.99Å; F26-F92 HydrophobicContact CD1-CD2 4.46Å; F26-F92 HydrophobicContact CD1-CE2 4.11Å; F26-F92 HydrophobicContact CD1-CZ 4.46Å; F26-F92 HydrophobicContact CE1-CD2 4.47Å; F26-F92 HydrophobicContact CE1-CE1 4.42Å; F26-F92 AromaticContact CE1-CE2 3.75Å; F26-F92 HydrophobicContact CE1-CE2 3.75Å; F26-F92 AromaticContact CE1-CZ 3.72Å; F26-F92 HydrophobicContact CE1-CZ 3.72Å; I72-F92 HydrophobicContact CD1-CD1 4.46Å; I72-F92 HydrophobicContact CD1-CE1 4.32Å; I72-F92 HydrophobicContact CG1-CE1 4.39Å; I72-F92 HydrophobicContact CG2-CD1 3.64Å; I72-F92 HydrophobicContact CG2-CE1 3.45Å; I72-F92 VanDerWaalsContact CG2-CE1 3.45Å; Y76-F92 WeakPolarHBondContact CD2-O 3.4Å; Y76-F92 WeakPolarHBondContact O-CD1 3.16Å; P79-F92 HydrophobicContact CB-CD1 3.73Å; P79-F92 HydrophobicContact CB-CE1 3.7Å; P79-F92 HydrophobicContact CB-CG 4.41Å; P79-F92 HydrophobicContact CB-CZ 4.32Å; P79-F92 HydrophobicContact CG-CE1 4.46Å; F92-F124 HydrophobicContact CE1-CE1 4.33Å; F92-F124 AromaticContact CE1-CZ 3.85Å; F92-F124 HydrophobicContact CE1-CZ 3.85Å; F92-F124 AromaticContact CZ-CE1 3.87Å; F92-F124 HydrophobicContact CZ-CE1 3.87Å; F92-F124 AromaticContact CZ-CZ 3.86Å; F92-F124 HydrophobicContact CZ-CZ 3.86Å |
| 93 | A | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 153.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L11 Y76 Y78 D95 S98 R99 | L11-A93 HydrophobicContact CD2-CB 4.04Å; Y76-A93 VanDerWaalsContact CB-O 3.28Å; Y76-A93 WeakPolarHBondContact CB-O 3.42Å; Y78-A93 PolarHBondContact O-N 3.01Å; A93-D95 VanDerWaalsContact C-N 3.34Å; A93-D95 PolarHBondContact O-N 3.21Å; A93-S98 WeakPolarHBondContact CB-OG 3.31Å; A93-R99 HydrophobicContact CB-CB 3.78Å |
| 94 | P | 89.1 | Confident | 90.3 | Very high | 39 Ų | 39 | 46 Ų | 46 | 25% | 0.253 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -60.3 | -42 | -179 | 21.8 | -32.4 | 0 | 0 | 0 | 112.9 | E9 Y76 Y78 S98 | E9-P94 WeakPolarHBondContact OE1-CD 2.93Å; E9-P94 WeakPolarHBondContact OE1-CG 3.48Å; Y76-P94 HydrophobicContact CD1-CB 4.12Å; Y76-P94 HydrophobicContact CD2-CB 4.45Å; Y76-P94 HydrophobicContact CE1-CB 3.73Å; Y76-P94 HydrophobicContact CE2-CB 4.1Å; Y76-P94 HydrophobicContact CE2-CG 4.4Å; Y76-P94 HydrophobicContact CG-CB 4.49Å; Y78-P94 WeakPolarHBondContact CD2-O 3.11Å; Y78-P94 WeakPolarHBondContact CE2-O 3.46Å; P94-S98 WeakPolarHBondContact CD-OG 3.41Å |
| 95 | D | 88.4 | Confident | 90.2 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 34% | 0.342 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -138.3 | 175.5 | -177.2 | 63.4 | 69.9 | 0 | 0 | 0 | 112.3 | Y78 A93 E97 S98 R99 | Y78-D95 VanDerWaalsContact CE2-CA 3.43Å; Y78-D95 HydrophobicContact CE2-CB 4.5Å; A93-D95 VanDerWaalsContact C-N 3.34Å; A93-D95 PolarHBondContact O-N 3.21Å; D95-E97 WeakPolarHBondContact OD1-CA 2.92Å; D95-E97 WeakPolarHBondContact OD1-CB 3.35Å; D95-E97 PolarHBondContact OD1-N 3.09Å; D95-S98 WeakPolarHBondContact OD1-CB 3.29Å; D95-S98 PolarHBondContact OD1-N 3.07Å; D95-R99 PolarHBondContact O-N 3.24Å; D95-R99 VanDerWaalsContact O-N 3.16Å |
| 96 | R | 86.8 | Confident | 90.5 | Very high | 132 Ų | 132 | 43.1 Ų | 43.1 | 50% | 0.498 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.7 | -38.7 | -178.3 | -178 | -178 | 177.1 | -166 | 1 | 112.2 | Y78 Q100 | Y78-R96 HydrophobicContact CD1-CB 4.06Å; Y78-R96 HydrophobicContact CE1-CB 3.83Å; R96-Q100 WeakPolarHBondContact O-CB 3.4Å; R96-Q100 PolarHBondContact O-N 2.82Å |
| 97 | E | 88.4 | Confident | 90.8 | Very high | 141 Ų | 141 | 38.3 Ų | 38.3 | 66% | 0.659 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -71.7 | -43.5 | -176.6 | -61.2 | -172.3 | 170 | 0 | 0 | 110.7 | D95 R99 Q100 R101 | D95-E97 WeakPolarHBondContact OD1-CA 2.92Å; D95-E97 WeakPolarHBondContact OD1-CB 3.35Å; D95-E97 PolarHBondContact OD1-N 3.09Å; E97-R99 PolarHBondContact O-N 2.73Å; E97-Q100 WeakPolarHBondContact O-CB 3.34Å; E97-Q100 PolarHBondContact O-N 2.91Å; E97-Q100 VanDerWaalsContact O-N 3.13Å; E97-R101 WeakPolarHBondContact O-CB 3.27Å; E97-R101 PolarHBondContact O-N 2.94Å |
| 98 | S | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.2 | -52.6 | 171.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | E9 A93 P94 D95 Q100 R101 W102 | E9-S98 WeakPolarHBondContact OE1-CB 3.35Å; E9-S98 PolarHBondContact OE1-OG 3.15Å; E9-S98 PolarHBondContact OE2-OG 3.03Å; A93-S98 WeakPolarHBondContact CB-OG 3.31Å; P94-S98 WeakPolarHBondContact CD-OG 3.41Å; D95-S98 WeakPolarHBondContact OD1-CB 3.29Å; D95-S98 PolarHBondContact OD1-N 3.07Å; S98-Q100 VanDerWaalsContact C-N 3.28Å; S98-Q100 PolarHBondContact O-N 2.82Å; S98-R101 PolarHBondContact O-N 3.48Å; S98-W102 VanDerWaalsContact O-CD1 3.23Å; S98-W102 PolarHBondContact O-N 3.18Å |
| 99 | R | 94.1 | Very high | 91 | Very high | 30 Ų | 30 | 39 Ų | 39 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.9 | -45.2 | 175.3 | -177.6 | -172.7 | 62 | -171.5 | -2.5 | 111.7 | I65 P79 F80 A93 D95 E97 W102 V103 | I65-R99 HydrophobicContact CG1-CG 4.45Å; P79-R99 VanDerWaalsContact O-CD 3.31Å; P79-R99 WeakPolarHBondContact O-CD 3.48Å; F80-R99 HydrophobicContact CB-CG 4.24Å; F80-R99 HydrophobicContact CD1-CG 4.02Å; A93-R99 HydrophobicContact CB-CB 3.78Å; D95-R99 PolarHBondContact O-N 3.24Å; D95-R99 VanDerWaalsContact O-N 3.16Å; E97-R99 PolarHBondContact O-N 2.73Å; R99-W102 PolarHBondContact O-N 3.3Å; R99-V103 HydrophobicContact CG-CG2 4.42Å; R99-V103 VanDerWaalsContact O-CG2 3.31Å; R99-V103 WeakPolarHBondContact O-CG2 3.49Å; R99-V103 PolarHBondContact O-N 2.95Å |
| 100 | Q | 89.3 | Confident | 90.8 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 17% | 0.168 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | -178.5 | -168.4 | 66 | 31.8 | 0 | 0 | 111.2 | R96 E97 S98 W102 V103 L104 A152 | R96-Q100 WeakPolarHBondContact O-CB 3.4Å; R96-Q100 PolarHBondContact O-N 2.82Å; E97-Q100 WeakPolarHBondContact O-CB 3.34Å; E97-Q100 PolarHBondContact O-N 2.91Å; E97-Q100 VanDerWaalsContact O-N 3.13Å; S98-Q100 VanDerWaalsContact C-N 3.28Å; S98-Q100 PolarHBondContact O-N 2.82Å; Q100-W102 PolarHBondContact O-N 2.85Å; Q100-V103 PolarHBondContact O-N 2.76Å; Q100-L104 HydrophobicContact CG-CD1 3.91Å; Q100-L104 HydrophobicContact CG-CG 4.39Å; Q100-L104 WeakPolarHBondContact O-CB 3.39Å; Q100-L104 VanDerWaalsContact O-CG 3.26Å; Q100-L104 WeakPolarHBondContact O-CG 3.15Å; Q100-L104 PolarHBondContact O-N 3.17Å; Q100-A152 VanDerWaalsContact CD-O 3.29Å; Q100-A152 PolarHBondContact NE2-O 3.05Å; Q100-A152 PolarHBondContact OE1-O 3.49Å |
| 101 | R | 92.3 | Very high | 90.3 | Very high | 106 Ų | 106 | 43.4 Ų | 43.4 | 40% | 0.4 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 179.2 | -165.2 | -173.8 | -49.9 | 110.1 | 6.2 | 111.5 | L7 E9 E97 S98 L104 A105 | L7-R101 HydrophobicContact CD1-CG 4.22Å; L7-R101 HydrophobicContact CD2-CG 3.99Å; E9-R101 IonicContact OE2-NH1 3.65Å; E97-R101 WeakPolarHBondContact O-CB 3.27Å; E97-R101 PolarHBondContact O-N 2.94Å; S98-R101 PolarHBondContact O-N 3.48Å; R101-L104 PolarHBondContact O-N 2.82Å; R101-A105 WeakPolarHBondContact O-CB 3.31Å; R101-A105 PolarHBondContact O-N 2.94Å |
| 102 | W | 94.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 177.8 | -84 | 97.3 | 0 | 0 | 0 | 113.1 | L7 E9 L11 F31 L33 L38 F80 S98 R99 Q100 L106 | L7-W102 HydrophobicContact CB-CH2 3.87Å; L7-W102 HydrophobicContact CB-CZ2 3.86Å; L7-W102 HydrophobicContact CB-CZ3 4.25Å; L7-W102 HydrophobicContact CD1-CD2 4.02Å; L7-W102 HydrophobicContact CD1-CE3 4.23Å; L7-W102 HydrophobicContact CD1-CG 4.3Å; E9-W102 HydrophobicContact CB-CZ2 3.7Å; E9-W102 PolarHBondContact OE2-NE1 2.71Å; L11-W102 HydrophobicContact CD1-CD2 3.88Å; L11-W102 HydrophobicContact CD1-CE3 4.4Å; L11-W102 HydrophobicContact CD1-CG 4.19Å; L11-W102 HydrophobicContact CD1-CZ2 4.08Å; F31-W102 HydrophobicContact CB-CH2 3.64Å; F31-W102 HydrophobicContact CB-CZ2 4.09Å; F31-W102 HydrophobicContact CB-CZ3 4.2Å; L33-W102 HydrophobicContact CB-CH2 4.2Å; L33-W102 HydrophobicContact CB-CZ3 3.79Å; L38-W102 HydrophobicContact CD1-CE3 4.43Å; L38-W102 HydrophobicContact CD1-CH2 4.49Å; L38-W102 HydrophobicContact CD1-CZ3 3.64Å; F80-W102 HydrophobicContact CE1-CB 4.12Å; F80-W102 HydrophobicContact CE2-CB 4.48Å; F80-W102 HydrophobicContact CZ-CB 3.86Å; F80-W102 HydrophobicContact CZ-CG 4.33Å; S98-W102 VanDerWaalsContact O-CD1 3.23Å; S98-W102 PolarHBondContact O-N 3.18Å; R99-W102 PolarHBondContact O-N 3.3Å; Q100-W102 PolarHBondContact O-N 2.85Å; W102-L106 HydrophobicContact CE3-CD1 4.45Å; W102-L106 VanDerWaalsContact O-CB 3.32Å; W102-L106 WeakPolarHBondContact O-CB 3.43Å; W102-L106 WeakPolarHBondContact O-CG 3.5Å; W102-L106 PolarHBondContact O-N 3.31Å |
| 103 | V | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | V63 I65 F80 R99 Q100 K107 A152 | V63-V103 HydrophobicContact CG1-CG1 4.43Å; I65-V103 HydrophobicContact CG1-CG2 4.11Å; F80-V103 HydrophobicContact CB-CG2 3.5Å; F80-V103 VanDerWaalsContact CB-CG2 3.5Å; F80-V103 HydrophobicContact CD1-CG2 4.45Å; F80-V103 HydrophobicContact CD2-CG2 3.98Å; F80-V103 HydrophobicContact CG-CG2 3.76Å; R99-V103 HydrophobicContact CG-CG2 4.42Å; R99-V103 VanDerWaalsContact O-CG2 3.31Å; R99-V103 WeakPolarHBondContact O-CG2 3.49Å; R99-V103 PolarHBondContact O-N 2.95Å; Q100-V103 PolarHBondContact O-N 2.76Å; V103-K107 HydrophobicContact CG1-CD 4.33Å; V103-K107 HydrophobicContact CG1-CG 4.45Å; V103-K107 WeakPolarHBondContact O-CB 3.4Å; V103-K107 WeakPolarHBondContact O-CG 3.18Å; V103-K107 PolarHBondContact O-N 2.91Å; V103-A152 HydrophobicContact CG1-CB 3.68Å |
| 104 | L | 88.4 | Confident | 88.8 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -49.4 | 178.4 | -72.6 | 174.6 | 0 | 0 | 0 | 112 | Q100 R101 L106 K107 E108 N151 | Q100-L104 HydrophobicContact CG-CD1 3.91Å; Q100-L104 HydrophobicContact CG-CG 4.39Å; Q100-L104 WeakPolarHBondContact O-CB 3.39Å; Q100-L104 VanDerWaalsContact O-CG 3.26Å; Q100-L104 WeakPolarHBondContact O-CG 3.15Å; Q100-L104 PolarHBondContact O-N 3.17Å; R101-L104 PolarHBondContact O-N 2.82Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 2.97Å; L104-K107 PolarHBondContact O-N 2.8Å; L104-E108 WeakPolarHBondContact O-CB 3.38Å; L104-E108 PolarHBondContact O-N 3.26Å; L104-N151 HydrophobicContact CD2-CB 4.13Å; L104-N151 WeakPolarHBondContact CD2-OD1 3.27Å |
| 105 | A | 90.1 | Very high | 88.5 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 L33 R101 E108 E109 | L7-A105 HydrophobicContact CD1-CB 3.4Å; L7-A105 VanDerWaalsContact CD1-CB 3.4Å; L7-A105 HydrophobicContact CG-CB 4.19Å; L33-A105 HydrophobicContact CD2-CB 3.72Å; R101-A105 WeakPolarHBondContact O-CB 3.31Å; R101-A105 PolarHBondContact O-N 2.94Å; A105-E108 PolarHBondContact O-N 2.92Å; A105-E109 WeakPolarHBondContact O-CG 3.47Å; A105-E109 PolarHBondContact O-N 3.5Å; A105-E109 VanDerWaalsContact O-N 3.09Å |
| 106 | L | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 176.4 | -76.9 | 168.5 | 0 | 0 | 0 | 112.8 | L33 L38 L57 I60 V63 F80 V82 W102 L104 T110 | L33-L106 HydrophobicContact CD1-CD2 3.6Å; L33-L106 HydrophobicContact CD2-CD2 4.15Å; L33-L106 HydrophobicContact CD2-CG 4.21Å; L38-L106 HydrophobicContact CB-CD2 4.39Å; L38-L106 HydrophobicContact CD1-CD2 4.36Å; L38-L106 HydrophobicContact CD2-CD1 4.28Å; L38-L106 HydrophobicContact CD2-CD2 4.07Å; L57-L106 HydrophobicContact CD2-CD2 4.1Å; I60-L106 HydrophobicContact CD1-CD2 4.27Å; V63-L106 HydrophobicContact CB-CB 4.32Å; V63-L106 HydrophobicContact CG1-CB 3.88Å; V63-L106 HydrophobicContact CG1-CD1 4.01Å; V63-L106 HydrophobicContact CG2-CB 4.07Å; F80-L106 HydrophobicContact CE2-CD1 3.92Å; V82-L106 HydrophobicContact CG2-CD1 4Å; W102-L106 HydrophobicContact CE3-CD1 4.45Å; W102-L106 VanDerWaalsContact O-CB 3.32Å; W102-L106 WeakPolarHBondContact O-CB 3.43Å; W102-L106 WeakPolarHBondContact O-CG 3.5Å; W102-L106 PolarHBondContact O-N 3.31Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 2.97Å; L106-T110 WeakPolarHBondContact O-CB 3.41Å; L106-T110 VanDerWaalsContact O-CG2 3.22Å; L106-T110 WeakPolarHBondContact O-CG2 3.44Å; L106-T110 PolarHBondContact O-N 3.45Å; L106-T110 VanDerWaalsContact O-N 3.13Å; L106-T110 PolarHBondContact O-OG1 3.15Å |
| 107 | K | 90.7 | Very high | 88.5 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.022 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 174.7 | -81.5 | -168.7 | 174.8 | -158.9 | 0 | 111.5 | V63 E64 V103 L104 E109 T110 R111 D147 K150 | V63-K107 HydrophobicContact CB-CG 4.4Å; V63-K107 WeakPolarHBondContact O-CE 3.18Å; E64-K107 WeakPolarHBondContact OE2-CE 3.34Å; E64-K107 IonicContact OE2-NZ 3.59Å; E64-K107 PolarHBondContact OE2-NZ 2.89Å; V103-K107 HydrophobicContact CG1-CD 4.33Å; V103-K107 HydrophobicContact CG1-CG 4.45Å; V103-K107 WeakPolarHBondContact O-CB 3.4Å; V103-K107 WeakPolarHBondContact O-CG 3.18Å; V103-K107 PolarHBondContact O-N 2.91Å; L104-K107 PolarHBondContact O-N 2.8Å; K107-E109 VanDerWaalsContact C-N 3.34Å; K107-E109 PolarHBondContact O-N 2.79Å; K107-T110 CarbonylContact O-C 3.47Å; K107-T110 PolarHBondContact O-N 3.13Å; K107-T110 VanDerWaalsContact O-N 3.14Å; K107-T110 PolarHBondContact O-OG1 3.38Å; K107-R111 WeakPolarHBondContact O-CA 3.01Å; K107-R111 WeakPolarHBondContact O-CB 3.35Å; K107-R111 PolarHBondContact O-N 2.86Å; K107-D147 PolarHBondContact NZ-O 2.91Å; K107-K150 PolarHBondContact NZ-O 3.23Å |
| 108 | E | 89 | Confident | 88.4 | Confident | 95 Ų | 95 | 52 Ų | 52 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 179.2 | -178.4 | 62.5 | -173.6 | 0 | 0 | 111.4 | L104 A105 T110 R111 | L104-E108 WeakPolarHBondContact O-CB 3.38Å; L104-E108 PolarHBondContact O-N 3.26Å; A105-E108 PolarHBondContact O-N 2.92Å; E108-T110 VanDerWaalsContact C-N 3.28Å; E108-T110 PolarHBondContact O-N 2.89Å; E108-R111 WeakPolarHBondContact O-CD 3.48Å; E108-R111 VanDerWaalsContact O-CG 3.29Å; E108-R111 WeakPolarHBondContact O-CG 3.49Å; E108-R111 IonicContact OE1-CZ 2.94Å; E108-R111 IonicContact OE1-NE 3.01Å; E108-R111 IonicContact OE1-NH1 3.27Å; E108-R111 PolarHBondContact OE1-NH1 3.4Å; E108-R111 IonicContact OE1-NH2 3.48Å; E108-R111 PolarHBondContact OE1-NH2 3.49Å; E108-R111 WeakPolarHBondContact OE2-CD 3.33Å; E108-R111 IonicContact OE2-CZ 2.72Å; E108-R111 IonicContact OE2-NE 2.75Å; E108-R111 IonicContact OE2-NH1 2.76Å; E108-R111 PolarHBondContact OE2-NH1 3.3Å |
| 109 | E | 88.8 | Confident | 88.4 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.6 | -17.2 | 178.6 | -64.3 | -63.4 | 136.3 | 0 | 0 | 113.6 | L6 L57 A105 K107 | L6-E109 VanDerWaalsContact CD1-CD 3.47Å; L6-E109 HydrophobicContact CD1-CG 3.67Å; L57-E109 HydrophobicContact CD1-CB 3.65Å; L57-E109 HydrophobicContact CD1-CG 4.26Å; A105-E109 WeakPolarHBondContact O-CG 3.47Å; A105-E109 PolarHBondContact O-N 3.5Å; A105-E109 VanDerWaalsContact O-N 3.09Å; K107-E109 VanDerWaalsContact C-N 3.34Å; K107-E109 PolarHBondContact O-N 2.79Å |
| 110 | T | 88.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -109.5 | -1.8 | -179 | 60.2 | 0 | 0 | 0 | 0 | 114 | L57 I60 L106 K107 E108 N112 N113 | L57-T110 HydrophobicContact CB-CG2 4.31Å; I60-T110 HydrophobicContact CB-CG2 3.82Å; I60-T110 HydrophobicContact CD1-CG2 4.08Å; I60-T110 HydrophobicContact CG1-CG2 4.47Å; I60-T110 HydrophobicContact CG2-CG2 3.98Å; L106-T110 WeakPolarHBondContact O-CB 3.41Å; L106-T110 VanDerWaalsContact O-CG2 3.22Å; L106-T110 WeakPolarHBondContact O-CG2 3.44Å; L106-T110 PolarHBondContact O-N 3.45Å; L106-T110 VanDerWaalsContact O-N 3.13Å; L106-T110 PolarHBondContact O-OG1 3.15Å; K107-T110 CarbonylContact O-C 3.47Å; K107-T110 PolarHBondContact O-N 3.13Å; K107-T110 VanDerWaalsContact O-N 3.14Å; K107-T110 PolarHBondContact O-OG1 3.38Å; E108-T110 VanDerWaalsContact C-N 3.28Å; E108-T110 PolarHBondContact O-N 2.89Å; T110-N112 PolarHBondContact O-N 2.83Å; T110-N112 VanDerWaalsContact O-N 3.11Å; T110-N113 VanDerWaalsContact O-CB 3.29Å; T110-N113 WeakPolarHBondContact O-CB 3.45Å; T110-N113 PolarHBondContact O-N 3.21Å |
| 111 | R | 83.6 | Confident | 88.4 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.4 | -173.3 | 72.2 | -170.9 | -175.5 | 178.9 | -4.6 | 114.1 | K107 E108 | K107-R111 WeakPolarHBondContact O-CA 3.01Å; K107-R111 WeakPolarHBondContact O-CB 3.35Å; K107-R111 PolarHBondContact O-N 2.86Å; E108-R111 WeakPolarHBondContact O-CD 3.48Å; E108-R111 VanDerWaalsContact O-CG 3.29Å; E108-R111 WeakPolarHBondContact O-CG 3.49Å; E108-R111 IonicContact OE1-CZ 2.94Å; E108-R111 IonicContact OE1-NE 3.01Å; E108-R111 IonicContact OE1-NH1 3.27Å; E108-R111 PolarHBondContact OE1-NH1 3.4Å; E108-R111 IonicContact OE1-NH2 3.48Å; E108-R111 PolarHBondContact OE1-NH2 3.49Å; E108-R111 WeakPolarHBondContact OE2-CD 3.33Å; E108-R111 IonicContact OE2-CZ 2.72Å; E108-R111 IonicContact OE2-NE 2.75Å; E108-R111 IonicContact OE2-NH1 2.76Å; E108-R111 PolarHBondContact OE2-NH1 3.3Å |
| 112 | N | 80.6 | Confident | 88.3 | Confident | 130 Ų | 130 | 50.7 Ų | 50.7 | 70% | 0.695 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 12.1 | -177.7 | -65.9 | -27.8 | 0 | 0 | 0 | 112.9 | T110 N114 | T110-N112 PolarHBondContact O-N 2.83Å; T110-N112 VanDerWaalsContact O-N 3.11Å; N112-N114 PolarHBondContact O-N 2.85Å |
| 113 | N | 86.6 | Confident | 88.1 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | trans | -71.7 | 128.6 | 177.4 | -76.1 | -5.9 | 0 | 0 | 0 | 110.8 | L57 I60 T110 S115 L116 | L57-N113 PolarHBondContact O-ND2 2.92Å; I60-N113 PolarHBondContact O-ND2 3.15Å; I60-N113 VanDerWaalsContact O-ND2 3.11Å; T110-N113 VanDerWaalsContact O-CB 3.29Å; T110-N113 WeakPolarHBondContact O-CB 3.45Å; T110-N113 PolarHBondContact O-N 3.21Å; N113-S115 PolarHBondContact O-N 3.33Å; N113-S115 VanDerWaalsContact O-N 3.13Å; N113-L116 HydrophobicContact CB-CD2 4.1Å; N113-L116 HydrophobicContact CB-CG 3.98Å; N113-L116 WeakPolarHBondContact O-CG 3.31Å | ||
| 114 | N | 81 | Confident | 87.9 | Confident | 177 Ų | 177 | 51.7 Ų | 51.7 | 95% | 0.947 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8.5 | 174.1 | -65.6 | -22.3 | 0 | 0 | 0 | 113.5 | N112 | N112-N114 PolarHBondContact O-N 2.85Š|
| 115 | S | 82.3 | Confident | 87.8 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 5.9 | -173.3 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | S58 K61 N113 | S58-S115 PolarHBondContact O-OG 2.96Å; K61-S115 WeakPolarHBondContact CG-O 3.44Å; N113-S115 PolarHBondContact O-N 3.33Å; N113-S115 VanDerWaalsContact O-N 3.13Å |
| 116 | L | 87.4 | Confident | 87.4 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 20% | 0.199 | 26% | 0.264 | C | S | . | . | trans | -65 | 135.9 | -178.1 | -63.8 | 178.1 | 0 | 0 | 0 | 111.9 | K61 N113 Y146 P148 | K61-L116 WeakPolarHBondContact O-CA 3.17Å; K61-L116 WeakPolarHBondContact O-CD2 3.49Å; N113-L116 HydrophobicContact CB-CD2 4.1Å; N113-L116 HydrophobicContact CB-CG 3.98Å; N113-L116 WeakPolarHBondContact O-CG 3.31Å; L116-Y146 HydrophobicContact CB-CE1 4.28Å; L116-Y146 HydrophobicContact CD1-CE1 4.27Å; L116-Y146 HydrophobicContact CD2-CE1 3.96Å; L116-Y146 HydrophobicContact CG-CE1 4.39Å; L116-P148 HydrophobicContact CD1-CB 3.74Å; L116-P148 HydrophobicContact CD1-CG 3.8Å | ||
| 117 | V | 88.4 | Confident | 86.9 | Confident | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | trans | -80.3 | 143.5 | 178 | -73.1 | 0 | 0 | 0 | 0 | 110.9 | K61 C62 M83 K119 Y146 | K61-V117 HydrophobicContact CB-CG1 4.11Å; K61-V117 HydrophobicContact CB-CG2 4.47Å; K61-V117 HydrophobicContact CD-CG1 4.22Å; K61-V117 PolarHBondContact O-N 2.94Å; K61-V117 VanDerWaalsContact O-N 3.08Å; C62-V117 HydrophobicContact CB-CG2 3.73Å; M83-V117 HydrophobicContact SD-CG2 4.39Å; V117-K119 VanDerWaalsContact C-N 3.29Å; V117-K119 WeakPolarHBondContact CG2-O 3.28Å; V117-K119 PolarHBondContact O-N 2.9Å; V117-Y146 VanDerWaalsContact O-CB 3.29Å; V117-Y146 WeakPolarHBondContact O-CB 3.26Å; V117-Y146 VanDerWaalsContact O-CD1 3.29Å; V117-Y146 WeakPolarHBondContact O-CD1 3.46Å | ||
| 118 | P | 86.4 | Confident | 86.5 | Confident | 106 Ų | 106 | 58.9 Ų | 58.9 | 69% | 0.688 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -74 | -22.6 | 177.7 | 29.3 | -35.4 | 0 | 0 | 0 | 112.8 | Y146 | P118-Y146 PolarHBondContact O-N 2.79Š|
| 119 | K | 90.3 | Very high | 86.4 | Confident | 112 Ų | 112 | 58.3 Ų | 58.3 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 147.1 | 179 | -60.5 | -175.9 | -177.5 | 176.9 | 0 | 111.3 | V117 G142 A144 | V117-K119 VanDerWaalsContact C-N 3.29Å; V117-K119 WeakPolarHBondContact CG2-O 3.28Å; V117-K119 PolarHBondContact O-N 2.9Å; K119-G142 VanDerWaalsContact CB-O 3.22Å; K119-G142 WeakPolarHBondContact CB-O 3.36Å; K119-G142 VanDerWaalsContact CD-O 3.23Å; K119-G142 WeakPolarHBondContact CD-O 3.47Å; K119-A144 CarbonylContact C-O 3.5Å; K119-A144 WeakPolarHBondContact CA-O 3.4Å; K119-A144 WeakPolarHBondContact CB-O 3.48Å |
| 120 | Y | 91.8 | Very high | 86.4 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 7% | 0.071 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 170 | 177.2 | 78 | -70.3 | 0 | 0 | 0 | 111.2 | C62 E64 P122 G142 C143 A144 Q145 Y146 | C62-Y120 VanDerWaalsContact SG-CB 3.56Å; E64-Y120 HydrophobicContact CB-CD2 4.09Å; E64-Y120 HydrophobicContact CB-CE2 3.65Å; E64-Y120 HydrophobicContact CG-CD2 4.19Å; E64-Y120 HydrophobicContact CG-CE1 4.28Å; E64-Y120 HydrophobicContact CG-CE2 3.29Å; E64-Y120 VanDerWaalsContact CG-OH 3.23Å; E64-Y120 WeakPolarHBondContact CG-OH 3.26Å; Y120-P122 HydrophobicContact CE2-CB 3.87Å; Y120-G142 VanDerWaalsContact C-CA 3.42Å; Y120-G142 CarbonylContact O-C 3.27Å; Y120-G142 WeakPolarHBondContact O-CA 3.12Å; Y120-C143 PolarHBondContact O-N 3.26Å; Y120-C143 VanDerWaalsContact O-N 3.1Å; Y120-A144 HydrophobicContact CD1-CB 4.18Å; Y120-A144 WeakPolarHBondContact CD1-O 3.24Å; Y120-A144 HydrophobicContact CE1-CB 3.75Å; Y120-A144 PolarHBondContact N-O 3.01Å; Y120-A144 PolarHBondContact O-N 2.82Å; Y120-Q145 WeakPolarHBondContact CE1-O 3.49Å; Y120-Y146 HydrophobicContact CD1-CD2 4.06Å; Y120-Y146 HydrophobicContact CD1-CG 4.4Å; Y120-Y146 HydrophobicContact CE1-CD2 4.49Å; Y120-Y146 HydrophobicContact CG-CD2 4.42Å |
| 121 | H | 91 | Very high | 86.4 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | trans | -100.9 | 118.6 | 175.3 | -75.1 | -60.8 | 0 | 0 | 0 | 110.1 | Q81 N123 W130 C132 C133 Q135 A140 A141 C143 | Q81-H121 PolarHBondContact NE2-O 3.49Å; Q81-H121 PolarHBondContact OE1-O 3.09Å; H121-N123 VanDerWaalsContact C-N 3.32Å; H121-N123 PolarHBondContact O-N 2.8Å; H121-W130 HydrophobicContact CB-CD2 3.62Å; H121-W130 HydrophobicContact CB-CE3 3.38Å; H121-W130 HydrophobicContact CB-CG 4.37Å; H121-W130 HydrophobicContact CB-CH2 3.66Å; H121-W130 HydrophobicContact CB-CZ2 3.97Å; H121-W130 HydrophobicContact CB-CZ3 3.39Å; H121-W130 AromaticContact CD2-CD1 3.7Å; H121-W130 AromaticContact CD2-CD2 3.59Å; H121-W130 AromaticContact CD2-CE2 3.21Å; H121-W130 AromaticContact CD2-CG 3.88Å; H121-W130 AromaticContact CD2-CZ2 3.55Å; H121-W130 AromaticContact CD2-NE1 3.32Å; H121-W130 PolarHBondContact CD2-NE1 3.06Å; H121-W130 VanDerWaalsContact CD2-NE1 3.32Å; H121-W130 AromaticContact CG-CD2 3.5Å; H121-W130 AromaticContact CG-CE2 3.64Å; H121-W130 AromaticContact CG-CE3 3.84Å; H121-W130 AromaticContact CG-CG 3.83Å; H121-W130 AromaticContact NE2-CD1 3.62Å; H121-W130 AromaticContact NE2-CE2 3.93Å; H121-W130 AromaticContact NE2-NE1 3.55Å; H121-C132 PolarHBondContact ND1-SG 3.48Å; H121-C132 VanDerWaalsContact ND1-SG 3.37Å; H121-C133 PolarHBondContact CE1-SG 3.37Å; H121-Q135 PolarHBondContact CE1-OE1 3.44Å; H121-Q135 PolarHBondContact NE2-OE1 3.09Å; H121-A140 PolarHBondContact NE2-O 3.45Å; H121-A141 PolarHBondContact CE1-O 2.86Å; H121-A141 PolarHBondContact NE2-O 2.88Å; H121-C143 PolarHBondContact CE1-N 3.06Å; H121-C143 PolarHBondContact ND1-N 2.93Å; H121-C143 PolarHBondContact ND1-SG 2.79Å; H121-C143 VanDerWaalsContact ND1-SG 3.38Å | ||
| 122 | P | 90.1 | Very high | 86.5 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | trans | -80.7 | -4.2 | -171.3 | 31.1 | -36.6 | 0 | 0 | 0 | 115 | V66 K67 Y120 C132 A144 | V66-P122 CarbonylContact C-O 3.54Å; V66-P122 WeakPolarHBondContact CA-O 3.49Å; K67-P122 HydrophobicContact CD-CB 4.2Å; K67-P122 HydrophobicContact CG-CB 4.41Å; K67-P122 PolarHBondContact N-O 2.96Å; Y120-P122 HydrophobicContact CE2-CB 3.87Å; P122-C132 HydrophobicContact CG-CB 3.94Å; P122-A144 HydrophobicContact CG-CB 4.07Å | ||
| 123 | N | 90.7 | Very high | 86.9 | Confident | 16 Ų | 16 | 54 Ų | 54 | 9% | 0.086 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -129.1 | 171.1 | -172.3 | -152.8 | -40.7 | 0 | 0 | 0 | 110.2 | K67 H121 W130 R131 C132 | K67-N123 WeakPolarHBondContact O-CA 3.38Å; K67-N123 PolarHBondContact O-ND2 3.01Å; K67-N123 PolarHBondContact O-OD1 2.75Å; H121-N123 VanDerWaalsContact C-N 3.32Å; H121-N123 PolarHBondContact O-N 2.8Å; N123-W130 VanDerWaalsContact O-CE3 3.32Å; N123-W130 WeakPolarHBondContact O-CZ3 3.41Å; N123-R131 HydrophobicContact CB-CB 4.08Å; N123-C132 HydrophobicContact CB-CB 3.83Å |
| 124 | F | 88.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | trans | -66.1 | 144.4 | -175.7 | -70.5 | -73 | 0 | 0 | 0 | 113.9 | V66 I70 P79 Y90 F92 M126 R131 | V66-F124 HydrophobicContact CG1-CD1 4.08Å; V66-F124 HydrophobicContact CG1-CD2 3.9Å; V66-F124 HydrophobicContact CG1-CE1 4.01Å; V66-F124 HydrophobicContact CG1-CE2 3.84Å; V66-F124 HydrophobicContact CG1-CG 4.03Å; V66-F124 HydrophobicContact CG1-CZ 3.89Å; I70-F124 HydrophobicContact CD1-CD2 3.97Å; I70-F124 HydrophobicContact CD1-CE2 4.45Å; I70-F124 HydrophobicContact CG1-CD2 4.4Å; P79-F124 HydrophobicContact CB-CZ 3.85Å; P79-F124 HydrophobicContact CG-CE2 4.45Å; P79-F124 HydrophobicContact CG-CZ 4.01Å; Y90-F124 AromaticContact CD1-CD1 3.75Å; Y90-F124 HydrophobicContact CD1-CD1 3.75Å; Y90-F124 AromaticContact CD1-CE1 3.62Å; Y90-F124 HydrophobicContact CD1-CE1 3.62Å; Y90-F124 HydrophobicContact CD2-CD1 4.25Å; Y90-F124 HydrophobicContact CD2-CE1 4.46Å; Y90-F124 AromaticContact CE1-CD1 3.53Å; Y90-F124 HydrophobicContact CE1-CD1 3.53Å; Y90-F124 AromaticContact CE1-CE1 3.89Å; Y90-F124 HydrophobicContact CE1-CE1 3.89Å; Y90-F124 HydrophobicContact CE2-CD1 4.08Å; Y90-F124 HydrophobicContact CG-CD1 4.08Å; Y90-F124 AromaticContact CG-CE1 3.91Å; Y90-F124 HydrophobicContact CG-CE1 3.91Å; Y90-F124 AromaticContact CZ-CD1 3.71Å; Y90-F124 WeakPolarHBondContact OH-CA 3.29Å; F92-F124 HydrophobicContact CE1-CE1 4.33Å; F92-F124 AromaticContact CE1-CZ 3.85Å; F92-F124 HydrophobicContact CE1-CZ 3.85Å; F92-F124 AromaticContact CZ-CE1 3.87Å; F92-F124 HydrophobicContact CZ-CE1 3.87Å; F92-F124 AromaticContact CZ-CZ 3.86Å; F92-F124 HydrophobicContact CZ-CZ 3.86Å; F124-M126 HydrophobicContact CB-CG 3.95Å; F124-M126 HydrophobicContact CB-SD 4.32Å; F124-R131 WeakPolarHBondContact O-CG 3.33Å; F124-R131 PolarHBondContact O-N 2.87Å; F124-R131 VanDerWaalsContact O-N 3.15Å | ||
| 125 | W | 86.5 | Confident | 87.3 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 15% | 0.148 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 112.9 | 159.8 | 175.2 | -89.9 | 0 | 0 | 0 | 109.5 | Y90 G128 K129 W130 L136 E137 K138 | Y90-W125 PolarHBondContact OH-N 2.63Å; W125-G128 WeakPolarHBondContact CH2-O 3.37Å; W125-G128 VanDerWaalsContact CZ2-C 3.48Å; W125-K129 VanDerWaalsContact CE3-C 3.49Å; W125-W130 HydrophobicContact CB-CD2 4.26Å; W125-W130 HydrophobicContact CB-CE3 3.95Å; W125-W130 HydrophobicContact CB-CH2 4.16Å; W125-W130 HydrophobicContact CB-CZ2 4.37Å; W125-W130 HydrophobicContact CB-CZ3 3.9Å; W125-W130 HydrophobicContact CE3-CB 4.39Å; W125-W130 AromaticContact CE3-CD1 3.41Å; W125-W130 VanDerWaalsContact CE3-CD1 3.41Å; W125-W130 AromaticContact CE3-CD2 3.64Å; W125-W130 HydrophobicContact CE3-CD2 3.64Å; W125-W130 AromaticContact CE3-CE2 3.56Å; W125-W130 HydrophobicContact CE3-CE3 4.43Å; W125-W130 AromaticContact CE3-CG 3.58Å; W125-W130 HydrophobicContact CE3-CG 3.58Å; W125-W130 HydrophobicContact CE3-CZ2 4.35Å; W125-W130 AromaticContact CE3-NE1 3.36Å; W125-W130 AromaticContact CZ3-CD1 3.4Å; W125-W130 VanDerWaalsContact CZ3-CD1 3.4Å; W125-W130 HydrophobicContact CZ3-CD2 4.42Å; W125-W130 AromaticContact CZ3-CG 3.95Å; W125-W130 HydrophobicContact CZ3-CG 3.95Å; W125-W130 AromaticContact CZ3-NE1 3.57Å; W125-L136 WeakPolarHBondContact CH2-O 3.32Å; W125-E137 VanDerWaalsContact CH2-C 3.47Å; W125-E137 VanDerWaalsContact CZ3-C 3.49Å; W125-K138 HydrophobicContact CD2-CB 4.04Å; W125-K138 HydrophobicContact CD2-CD 4.41Å; W125-K138 HydrophobicContact CD2-CG 3.76Å; W125-K138 HydrophobicContact CE3-CB 4.23Å; W125-K138 HydrophobicContact CE3-CG 4.24Å; W125-K138 HydrophobicContact CG-CD 4.41Å; W125-K138 HydrophobicContact CG-CG 4.05Å; W125-K138 VanDerWaalsContact CH2-CA 3.48Å; W125-K138 HydrophobicContact CH2-CB 3.81Å; W125-K138 HydrophobicContact CZ2-CB 3.61Å; W125-K138 HydrophobicContact CZ2-CG 4.15Å; W125-K138 VanDerWaalsContact CZ3-CA 3.44Å; W125-K138 HydrophobicContact CZ3-CB 4.12Å |
| 126 | M | 82 | Confident | 87.6 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 23% | 0.232 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 152.8 | 179.3 | -62 | -161.5 | -48.9 | 0 | 0 | 111.1 | I70 F124 G128 K129 | I70-M126 HydrophobicContact CD1-CE 3.25Å; I70-M126 HydrophobicContact CD1-SD 4.04Å; F124-M126 HydrophobicContact CB-CG 3.95Å; F124-M126 HydrophobicContact CB-SD 4.32Å; M126-G128 PolarHBondContact O-N 3.49Å; M126-K129 PolarHBondContact N-O 2.93Å; M126-K129 VanDerWaalsContact N-O 3.11Å; M126-K129 PolarHBondContact O-N 3.22Å |
| 127 | D | 80.4 | Confident | 87.5 | Confident | 129 Ų | 129 | 60.3 Ų | 60.3 | 69% | 0.69 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 19.5 | 176.3 | -49.2 | -38.3 | 0 | 0 | 0 | 115.8 | R20 | R20-D127 PolarHBondContact NH2-O 3.05Š|
| 128 | G | 82.4 | Confident | 87.2 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 15.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | W125 M126 | W125-G128 WeakPolarHBondContact CH2-O 3.37Å; W125-G128 VanDerWaalsContact CZ2-C 3.48Å; M126-G128 PolarHBondContact O-N 3.49Å |
| 129 | K | 87.4 | Confident | 87 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 37% | 0.365 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.2 | 175.6 | 66.2 | -177.3 | 179.2 | -179.1 | 0 | 113.8 | W125 M126 Q135 L136 | W125-K129 VanDerWaalsContact CE3-C 3.49Å; M126-K129 PolarHBondContact N-O 2.93Å; M126-K129 VanDerWaalsContact N-O 3.11Å; M126-K129 PolarHBondContact O-N 3.22Å; K129-Q135 CarbonylContact C-O 3.57Å; K129-Q135 VanDerWaalsContact CA-O 3.24Å; K129-Q135 WeakPolarHBondContact CA-O 3.34Å; K129-L136 HydrophobicContact CB-CD2 3.96Å |
| 130 | W | 89.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.011 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126.7 | 169.4 | -76.1 | 109.3 | 0 | 0 | 0 | 111.3 | L88 Y90 H121 N123 W125 C132 S134 Q135 E137 K138 | L88-W130 HydrophobicContact CD2-CH2 3.42Å; L88-W130 VanDerWaalsContact CD2-CH2 3.42Å; L88-W130 HydrophobicContact CD2-CZ2 4.28Å; L88-W130 HydrophobicContact CD2-CZ3 4.12Å; Y90-W130 WeakPolarHBondContact OH-CZ3 3.22Å; H121-W130 HydrophobicContact CB-CD2 3.62Å; H121-W130 HydrophobicContact CB-CE3 3.38Å; H121-W130 HydrophobicContact CB-CG 4.37Å; H121-W130 HydrophobicContact CB-CH2 3.66Å; H121-W130 HydrophobicContact CB-CZ2 3.97Å; H121-W130 HydrophobicContact CB-CZ3 3.39Å; H121-W130 AromaticContact CD2-CD1 3.7Å; H121-W130 AromaticContact CD2-CD2 3.59Å; H121-W130 AromaticContact CD2-CE2 3.21Å; H121-W130 AromaticContact CD2-CG 3.88Å; H121-W130 AromaticContact CD2-CZ2 3.55Å; H121-W130 AromaticContact CD2-NE1 3.32Å; H121-W130 PolarHBondContact CD2-NE1 3.06Å; H121-W130 VanDerWaalsContact CD2-NE1 3.32Å; H121-W130 AromaticContact CG-CD2 3.5Å; H121-W130 AromaticContact CG-CE2 3.64Å; H121-W130 AromaticContact CG-CE3 3.84Å; H121-W130 AromaticContact CG-CG 3.83Å; H121-W130 AromaticContact NE2-CD1 3.62Å; H121-W130 AromaticContact NE2-CE2 3.93Å; H121-W130 AromaticContact NE2-NE1 3.55Å; N123-W130 VanDerWaalsContact O-CE3 3.32Å; N123-W130 WeakPolarHBondContact O-CZ3 3.41Å; W125-W130 HydrophobicContact CB-CD2 4.26Å; W125-W130 HydrophobicContact CB-CE3 3.95Å; W125-W130 HydrophobicContact CB-CH2 4.16Å; W125-W130 HydrophobicContact CB-CZ2 4.37Å; W125-W130 HydrophobicContact CB-CZ3 3.9Å; W125-W130 HydrophobicContact CE3-CB 4.39Å; W125-W130 AromaticContact CE3-CD1 3.41Å; W125-W130 VanDerWaalsContact CE3-CD1 3.41Å; W125-W130 AromaticContact CE3-CD2 3.64Å; W125-W130 HydrophobicContact CE3-CD2 3.64Å; W125-W130 AromaticContact CE3-CE2 3.56Å; W125-W130 HydrophobicContact CE3-CE3 4.43Å; W125-W130 AromaticContact CE3-CG 3.58Å; W125-W130 HydrophobicContact CE3-CG 3.58Å; W125-W130 HydrophobicContact CE3-CZ2 4.35Å; W125-W130 AromaticContact CE3-NE1 3.36Å; W125-W130 AromaticContact CZ3-CD1 3.4Å; W125-W130 VanDerWaalsContact CZ3-CD1 3.4Å; W125-W130 HydrophobicContact CZ3-CD2 4.42Å; W125-W130 AromaticContact CZ3-CG 3.95Å; W125-W130 HydrophobicContact CZ3-CG 3.95Å; W125-W130 AromaticContact CZ3-NE1 3.57Å; W130-C132 VanDerWaalsContact C-N 3.26Å; W130-C132 PolarHBondContact O-N 3.48Å; W130-S134 WeakPolarHBondContact O-CA 3.31Å; W130-S134 PolarHBondContact O-N 3.14Å; W130-Q135 PolarHBondContact N-O 3.4Å; W130-E137 PolarHBondContact NE1-O 3.03Å; W130-K138 WeakPolarHBondContact CZ2-O 3.33Å; W130-K138 PolarHBondContact NE1-O 3.04Å |
| 131 | R | 87.8 | Confident | 86.4 | Confident | 121 Ų | 121 | 62 Ų | 62 | 46% | 0.457 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -22.9 | -179.6 | -74.3 | -73.9 | -62.9 | -174.2 | 1.7 | 114.6 | N123 F124 | N123-R131 HydrophobicContact CB-CB 4.08Å; F124-R131 WeakPolarHBondContact O-CG 3.33Å; F124-R131 PolarHBondContact O-N 2.87Å; F124-R131 VanDerWaalsContact O-N 3.15Å |
| 132 | C | 86.5 | Confident | 86.2 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 30% | 0.297 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -32.2 | -178.1 | 47 | 0 | 0 | 0 | 0 | 113.9 | H121 P122 N123 W130 C143 | H121-C132 PolarHBondContact ND1-SG 3.48Å; H121-C132 VanDerWaalsContact ND1-SG 3.37Å; P122-C132 HydrophobicContact CG-CB 3.94Å; N123-C132 HydrophobicContact CB-CB 3.83Å; W130-C132 VanDerWaalsContact C-N 3.26Å; W130-C132 PolarHBondContact O-N 3.48Å; C132-C143 PolarHBondContact SG-SG 2.86Å |
| 133 | C | 87.3 | Confident | 86.1 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.9 | 2.4 | -172.9 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | H121 Q135 C143 | H121-C133 PolarHBondContact CE1-SG 3.37Å; C133-Q135 PolarHBondContact O-N 2.91Å; C133-Q135 VanDerWaalsContact SG-CG 3.59Å; C133-C143 HydrophobicContact CB-CB 3.79Å |
| 134 | S | 87.9 | Confident | 85.9 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | trans | 60.9 | 15 | -178 | -58.4 | 0 | 0 | 0 | 0 | 116.4 | W130 L136 | W130-S134 WeakPolarHBondContact O-CA 3.31Å; W130-S134 PolarHBondContact O-N 3.14Å; S134-L136 PolarHBondContact O-N 3.13Å | ||
| 135 | Q | 88.2 | Confident | 85.9 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 33% | 0.327 | 39% | 0.394 | S | S | . | . | trans | -59.4 | 136.7 | 172.3 | -77.5 | -179.6 | -13.2 | 0 | 0 | 111.6 | H121 K129 W130 C133 A140 A141 | H121-Q135 PolarHBondContact CE1-OE1 3.44Å; H121-Q135 PolarHBondContact NE2-OE1 3.09Å; K129-Q135 CarbonylContact C-O 3.57Å; K129-Q135 VanDerWaalsContact CA-O 3.24Å; K129-Q135 WeakPolarHBondContact CA-O 3.34Å; W130-Q135 PolarHBondContact N-O 3.4Å; C133-Q135 PolarHBondContact O-N 2.91Å; C133-Q135 VanDerWaalsContact SG-CG 3.59Å; Q135-A140 HydrophobicContact CB-CB 4.37Å; Q135-A141 PolarHBondContact OE1-O 3.46Å | ||
| 136 | L | 88.6 | Confident | 86 | Confident | 138 Ų | 138 | 71.6 Ų | 71.6 | 72% | 0.723 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -93.5 | -4.2 | -173.7 | -58.7 | 179.6 | 0 | 0 | 0 | 114 | W125 K129 S134 | W125-L136 WeakPolarHBondContact CH2-O 3.32Å; K129-L136 HydrophobicContact CB-CD2 3.96Å; S134-L136 PolarHBondContact O-N 3.13Å |
| 137 | E | 85.2 | Confident | 86 | Confident | 142 Ų | 142 | 72.1 Ų | 72.1 | 66% | 0.664 | 39% | 0.394 | S | S | * | . | trans | -106.4 | 125.9 | 176.8 | -76.5 | -178.1 | -169.8 | 0 | 0 | 110.9 | W125 W130 L139 A140 | W125-E137 VanDerWaalsContact CH2-C 3.47Å; W125-E137 VanDerWaalsContact CZ3-C 3.49Å; W130-E137 PolarHBondContact NE1-O 3.03Å; E137-L139 VanDerWaalsContact C-N 3.25Å; E137-L139 PolarHBondContact O-N 3.5Å; E137-A140 HydrophobicContact CB-CB 3.98Å; E137-A140 VanDerWaalsContact O-CB 3.3Å; E137-A140 WeakPolarHBondContact O-CB 3.22Å; E137-A140 PolarHBondContact O-N 3.48Å | ||
| 138 | K | 82.3 | Confident | 85.8 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -30.6 | -175.3 | -169.4 | 175.7 | -179.8 | -171.7 | 0 | 113.1 | W125 W130 | W125-K138 HydrophobicContact CD2-CB 4.04Å; W125-K138 HydrophobicContact CD2-CD 4.41Å; W125-K138 HydrophobicContact CD2-CG 3.76Å; W125-K138 HydrophobicContact CE3-CB 4.23Å; W125-K138 HydrophobicContact CE3-CG 4.24Å; W125-K138 HydrophobicContact CG-CD 4.41Å; W125-K138 HydrophobicContact CG-CG 4.05Å; W125-K138 VanDerWaalsContact CH2-CA 3.48Å; W125-K138 HydrophobicContact CH2-CB 3.81Å; W125-K138 HydrophobicContact CZ2-CB 3.61Å; W125-K138 HydrophobicContact CZ2-CG 4.15Å; W125-K138 VanDerWaalsContact CZ3-CA 3.44Å; W125-K138 HydrophobicContact CZ3-CB 4.12Å; W130-K138 WeakPolarHBondContact CZ2-O 3.33Å; W130-K138 PolarHBondContact NE1-O 3.04Å |
| 139 | L | 83.3 | Confident | 85.2 | Confident | 119 Ų | 119 | 71.6 Ų | 71.6 | 62% | 0.623 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 12.5 | -179.3 | -60.3 | 178 | 0 | 0 | 0 | 112.7 | N86 E137 | N86-L139 HydrophobicContact CB-CD1 4.26Å; N86-L139 HydrophobicContact CB-CD2 4.34Å; E137-L139 VanDerWaalsContact C-N 3.25Å; E137-L139 PolarHBondContact O-N 3.5Å |
| 140 | A | 85.1 | Confident | 84.2 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -60 | 149.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H121 Q135 E137 G142 | H121-A140 PolarHBondContact NE2-O 3.45Å; Q135-A140 HydrophobicContact CB-CB 4.37Å; E137-A140 HydrophobicContact CB-CB 3.98Å; E137-A140 VanDerWaalsContact O-CB 3.3Å; E137-A140 WeakPolarHBondContact O-CB 3.22Å; E137-A140 PolarHBondContact O-N 3.48Å; A140-G142 PolarHBondContact O-N 3.07Å |
| 141 | A | 83.8 | Confident | 82.6 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 135.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | H121 Q135 | H121-A141 PolarHBondContact CE1-O 2.86Å; H121-A141 PolarHBondContact NE2-O 2.88Å; Q135-A141 PolarHBondContact OE1-O 3.46Å |
| 142 | G | 87.4 | Confident | 80.7 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 9% | 0.093 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 152.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K119 Y120 A140 | K119-G142 VanDerWaalsContact CB-O 3.22Å; K119-G142 WeakPolarHBondContact CB-O 3.36Å; K119-G142 VanDerWaalsContact CD-O 3.23Å; K119-G142 WeakPolarHBondContact CD-O 3.47Å; Y120-G142 VanDerWaalsContact C-CA 3.42Å; Y120-G142 CarbonylContact O-C 3.27Å; Y120-G142 WeakPolarHBondContact O-CA 3.12Å; A140-G142 PolarHBondContact O-N 3.07Å |
| 143 | C | 87.4 | Confident | 78.4 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 40% | 0.399 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -94.1 | -10.5 | 176.2 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | Y120 H121 C132 C133 | Y120-C143 PolarHBondContact O-N 3.26Å; Y120-C143 VanDerWaalsContact O-N 3.1Å; H121-C143 PolarHBondContact CE1-N 3.06Å; H121-C143 PolarHBondContact ND1-N 2.93Å; H121-C143 PolarHBondContact ND1-SG 2.79Å; H121-C143 VanDerWaalsContact ND1-SG 3.38Å; C132-C143 PolarHBondContact SG-SG 2.86Å; C133-C143 HydrophobicContact CB-CB 3.79Å |
| 144 | A | 87.8 | Confident | 76.1 | Confident | 26 Ų | 26 | 80.1 Ų | 80.1 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K119 Y120 P122 Y146 | K119-A144 CarbonylContact C-O 3.5Å; K119-A144 WeakPolarHBondContact CA-O 3.4Å; K119-A144 WeakPolarHBondContact CB-O 3.48Å; Y120-A144 HydrophobicContact CD1-CB 4.18Å; Y120-A144 WeakPolarHBondContact CD1-O 3.24Å; Y120-A144 HydrophobicContact CE1-CB 3.75Å; Y120-A144 PolarHBondContact N-O 3.01Å; Y120-A144 PolarHBondContact O-N 2.82Å; P122-A144 HydrophobicContact CG-CB 4.07Å; A144-Y146 PolarHBondContact O-N 3.43Å |
| 145 | Q | 88.6 | Confident | 73.5 | Confident | 167 Ų | 167 | 86.8 Ų | 86.8 | 78% | 0.78 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128.2 | 174.8 | -75.2 | 179.7 | -17.5 | 0 | 0 | 110.5 | Y120 | Y120-Q145 WeakPolarHBondContact CE1-O 3.49Å |
| 146 | Y | 86.8 | Confident | 71.1 | Confident | 17 Ų | 17 | 87.7 Ų | 87.7 | 7% | 0.067 | 47% | 0.468 | C | S | . | . | trans | -87.3 | 128.5 | 173.1 | -178.8 | -114.3 | 0 | 0 | 0 | 109.2 | C62 V63 L116 V117 P118 Y120 A144 P148 | C62-Y146 HydrophobicContact CB-CD2 4.12Å; C62-Y146 HydrophobicContact CB-CE1 4.45Å; C62-Y146 HydrophobicContact CB-CE2 3.98Å; C62-Y146 HydrophobicContact CB-CG 4.4Å; C62-Y146 WeakPolarHBondContact SG-CD2 3.4Å; C62-Y146 WeakPolarHBondContact SG-CE2 3.49Å; V63-Y146 PolarHBondContact N-OH 2.91Å; L116-Y146 HydrophobicContact CB-CE1 4.28Å; L116-Y146 HydrophobicContact CD1-CE1 4.27Å; L116-Y146 HydrophobicContact CD2-CE1 3.96Å; L116-Y146 HydrophobicContact CG-CE1 4.39Å; V117-Y146 VanDerWaalsContact O-CB 3.29Å; V117-Y146 WeakPolarHBondContact O-CB 3.26Å; V117-Y146 VanDerWaalsContact O-CD1 3.29Å; V117-Y146 WeakPolarHBondContact O-CD1 3.46Å; P118-Y146 PolarHBondContact O-N 2.79Å; Y120-Y146 HydrophobicContact CD1-CD2 4.06Å; Y120-Y146 HydrophobicContact CD1-CG 4.4Å; Y120-Y146 HydrophobicContact CE1-CD2 4.49Å; Y120-Y146 HydrophobicContact CG-CD2 4.42Å; A144-Y146 PolarHBondContact O-N 3.43Å; Y146-P148 HydrophobicContact CE1-CB 3.94Å; Y146-P148 HydrophobicContact CE1-CG 4.44Å | ||
| 147 | D | 83.5 | Confident | 68.6 | Low | 58 Ų | 58 | 85.9 Ų | 85.9 | 31% | 0.31 | 46% | 0.458 | S | S | . | . | trans | -126.4 | 110.2 | 174.2 | -176.1 | -18 | 0 | 0 | 0 | 108.1 | K107 T149 K150 | K107-D147 PolarHBondContact NZ-O 2.91Å; D147-T149 PolarHBondContact O-N 2.74Å; D147-T149 WeakPolarHBondContact OD1-CA 3.49Å; D147-T149 PolarHBondContact OD1-N 2.91Å; D147-T149 PolarHBondContact OD1-OG1 2.94Å; D147-K150 HydrophobicContact CB-CB 3.54Å; D147-K150 HydrophobicContact CB-CD 4.08Å; D147-K150 PolarHBondContact O-N 3.31Å; D147-K150 PolarHBondContact OD1-N 3.41Å; D147-K150 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 148 | P | 74.9 | Confident | 66.1 | Low | 33 Ų | 33 | 84.3 Ų | 84.3 | 21% | 0.214 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -70.3 | -21.3 | -179.5 | 28.4 | -33.4 | 0 | 0 | 0 | 112.6 | L116 Y146 | L116-P148 HydrophobicContact CD1-CB 3.74Å; L116-P148 HydrophobicContact CD1-CG 3.8Å; Y146-P148 HydrophobicContact CE1-CB 3.94Å; Y146-P148 HydrophobicContact CE1-CG 4.44Å |
| 149 | T | 70.8 | Confident | 63.8 | Low | 108 Ų | 108 | 85.4 Ų | 85.4 | 66% | 0.663 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -90.9 | -18.2 | 178.8 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | D147 N151 | D147-T149 PolarHBondContact O-N 2.74Å; D147-T149 WeakPolarHBondContact OD1-CA 3.49Å; D147-T149 PolarHBondContact OD1-N 2.91Å; D147-T149 PolarHBondContact OD1-OG1 2.94Å; T149-N151 PolarHBondContact O-N 3.03Å |
| 150 | K | 66.9 | Low | 61.6 | Low | 140 Ų | 140 | 83.1 Ų | 83.1 | 61% | 0.609 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -76.4 | 111.7 | 178.3 | -163.3 | 167.2 | -171.2 | 167.9 | 0 | 110.6 | K107 D147 A152 | K107-K150 PolarHBondContact NZ-O 3.23Å; D147-K150 HydrophobicContact CB-CB 3.54Å; D147-K150 HydrophobicContact CB-CD 4.08Å; D147-K150 PolarHBondContact O-N 3.31Å; D147-K150 PolarHBondContact OD1-N 3.41Å; D147-K150 WeakPolarHBondContact OD2-CB 3.46Å; K150-A152 PolarHBondContact O-N 3.5Å |
| 151 | N | 55.4 | Low | 59.5 | Low | 110 Ų | 110 | 88.7 Ų | 88.7 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | trans | -56.6 | 121.6 | 171.5 | -71.6 | -19.8 | 0 | 0 | 0 | 110 | L104 T149 S153 | L104-N151 HydrophobicContact CD2-CB 4.13Å; L104-N151 WeakPolarHBondContact CD2-OD1 3.27Å; T149-N151 PolarHBondContact O-N 3.03Å; N151-S153 PolarHBondContact O-N 2.85Å | ||
| 152 | A | 46.3 | Very low | 57.3 | Low | 4 Ų | 4 | 91.9 Ų | 91.9 | 3% | 0.033 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -62.3 | 109.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E64 I65 Q100 V103 K150 | E64-A152 WeakPolarHBondContact OE1-CB 3.5Å; I65-A152 HydrophobicContact CD1-CB 3.56Å; I65-A152 HydrophobicContact CG1-CB 3.74Å; Q100-A152 VanDerWaalsContact CD-O 3.29Å; Q100-A152 PolarHBondContact NE2-O 3.05Å; Q100-A152 PolarHBondContact OE1-O 3.49Å; V103-A152 HydrophobicContact CG1-CB 3.68Å; K150-A152 PolarHBondContact O-N 3.5Å |
| 153 | S | 40 | Very low | 54.9 | Low | 67 Ų | 67 | 98 Ų | 98 | 47% | 0.469 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 65.2 | 83.6 | 176.9 | -161.5 | 0 | 0 | 0 | 0 | 116.9 | N151 | N151-S153 PolarHBondContact O-N 2.85Š|
| 154 | K | 38.1 | Very low | 52.3 | Low | 158 Ų | 158 | 103.1 Ų | 103.1 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | -135 | 137.7 | 113.3 | -70.5 | -173 | 177.9 | 174.9 | 0 | 106 | P156 | K154-P156 VanDerWaalsContact C-N 3.27Å; K154-P156 HydrophobicContact CB-CB 4.18Å; K154-P156 HydrophobicContact CB-CG 3.65Å; K154-P156 WeakPolarHBondContact O-CD 3.47Å | |||
| 155 | K | 34 | Very low | 50.1 | Low | 213 Ų | 213 | 110.1 Ų | 110.1 | 93% | 0.926 | 58% | 0.578 | S | S | * | * | trans | -80.8 | 96.1 | 130 | -114 | -173.2 | 178.8 | -175.4 | 0 | 101.3 | ||||
| 156 | P | 36.2 | Very low | 47.8 | Very low | 88 Ų | 88 | 113 Ų | 113 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 145.8 | 163 | 4.2 | 14.9 | 0 | 0 | 0 | 104.9 | K154 | K154-P156 VanDerWaalsContact C-N 3.27Å; K154-P156 HydrophobicContact CB-CB 4.18Å; K154-P156 HydrophobicContact CB-CG 3.65Å; K154-P156 WeakPolarHBondContact O-CD 3.47Å |
| 157 | L | 36.3 | Very low | 46 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -50 | 143.2 | 154.7 | -69.3 | 161.4 | 0 | 0 | 0 | 106.9 | ||
| 158 | P | 34 | Very low | 44.6 | Very low | 110 Ų | 110 | 119 Ų | 119 | 71% | 0.714 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 133.2 | 173.2 | 21.2 | -30.8 | 0 | 0 | 0 | 108.1 | T160 | P158-T160 PolarHBondContact O-N 3.24Š|
| 159 | P | 32.8 | Very low | 43.8 | Very low | 108 Ų | 108 | 119 Ų | 119 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130.3 | 178.1 | 21.5 | -30.3 | 0 | 0 | 0 | 108.3 | ||
| 160 | T | 37.3 | Very low | 43.4 | Very low | 71 Ų | 71 | 120.4 Ų | 120.4 | 44% | 0.436 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 151.4 | 162.7 | 34.6 | 0 | 0 | 0 | 0 | 108 | P158 E162 | P158-T160 PolarHBondContact O-N 3.24Å; T160-E162 PolarHBondContact O-N 2.89Å |
| 161 | P | 41.6 | Very low | 42.9 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 90% | 0.903 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 9.8 | -179.7 | -22.6 | 33.2 | 0 | 0 | 0 | 116.3 | ||
| 162 | E | 38.4 | Very low | 43.1 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -12.1 | -170.9 | -64.4 | -170 | 153.3 | 0 | 0 | 115 | T160 N164 | T160-E162 PolarHBondContact O-N 2.89Å; E162-N164 PolarHBondContact O-N 2.82Å; E162-N164 VanDerWaalsContact O-N 3.11Å |
| 163 | D | 36.1 | Very low | 44.4 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 15.3 | -170.1 | -129.9 | 7.8 | 0 | 0 | 0 | 114.9 | ||
| 164 | N | 33.1 | Very low | 46.4 | Very low | 166 Ų | 166 | 127 Ų | 127 | 89% | 0.888 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 14.5 | -179.8 | -99.9 | -8.2 | 0 | 0 | 0 | 113.7 | E162 | E162-N164 PolarHBondContact O-N 2.82Å; E162-N164 VanDerWaalsContact O-N 3.11Å |
| 165 | R | 40.3 | Very low | 48.8 | Very low | 173 Ų | 173 | 120.5 Ų | 120.5 | 65% | 0.653 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 123.5 | 171.2 | -67.3 | -175.2 | -179.1 | 175.1 | 3.6 | 108.9 | ||
| 166 | R | 42 | Very low | 51.3 | Low | 227 Ų | 227 | 110.4 Ų | 110.4 | 86% | 0.857 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 142.7 | 159.4 | -71.3 | 180 | 177.6 | -179.1 | -1.4 | 107.8 | L168 | R166-L168 PolarHBondContact O-N 2.8Å; R166-L168 VanDerWaalsContact O-N 3.14Å |
| 167 | P | 47.9 | Very low | 53.7 | Low | 115 Ų | 115 | 107.4 Ų | 107.4 | 75% | 0.747 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 125.2 | 169.8 | -20.6 | 30.9 | 0 | 0 | 0 | 108.3 | W169 | P167-W169 PolarHBondContact O-N 2.89Š|
| 168 | L | 54.2 | Low | 56.1 | Low | 88 Ų | 88 | 102.7 Ų | 102.7 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -73.1 | -19.5 | -179.2 | -75.4 | 166 | 0 | 0 | 0 | 112.1 | R166 | R166-L168 PolarHBondContact O-N 2.8Å; R166-L168 VanDerWaalsContact O-N 3.14Å |
| 169 | W | 59.2 | Low | 58.2 | Low | 33 Ų | 33 | 98.1 Ų | 98.1 | 13% | 0.125 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -131.9 | 153.3 | -172.1 | -55.7 | 107.5 | 0 | 0 | 0 | 108.8 | P167 E173 V175 C199 D213 R214 | P167-W169 PolarHBondContact O-N 2.89Å; W169-E173 WeakPolarHBondContact CB-OE2 3.36Å; W169-V175 HydrophobicContact CB-CG2 3.76Å; W169-V175 HydrophobicContact CG-CG2 3.78Å; W169-C199 HydrophobicContact CD2-CB 4.25Å; W169-C199 HydrophobicContact CE3-CB 3.76Å; W169-C199 HydrophobicContact CH2-CB 3.86Å; W169-C199 HydrophobicContact CZ2-CB 4.35Å; W169-C199 HydrophobicContact CZ3-CB 3.55Å; W169-D213 WeakPolarHBondContact CH2-O 3.45Å; W169-R214 HydrophobicContact CZ2-CG 3.97Å |
| 170 | E | 62.2 | Low | 60.5 | Low | 136 Ų | 136 | 94.5 Ų | 94.5 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | trans | -70.6 | 153.1 | 179.7 | -66.4 | -162.8 | 167.6 | 0 | 0 | 111 | E172 E173 | E170-E172 PolarHBondContact O-N 3.35Å; E170-E173 HydrophobicContact CB-CG 4.36Å; E170-E173 PolarHBondContact N-OE2 3.47Å; E170-E173 PolarHBondContact O-N 2.74Å; E170-E173 VanDerWaalsContact O-N 3.1Å | ||
| 171 | P | 55.3 | Low | 62.7 | Low | 139 Ų | 139 | 95.9 Ų | 95.9 | 90% | 0.903 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15 | -175.9 | -21.5 | 32.1 | 0 | 0 | 0 | 115.4 | ||
| 172 | E | 60.2 | Low | 64.7 | Low | 184 Ų | 184 | 90.2 Ų | 90.2 | 86% | 0.86 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8.3 | -178.9 | -63.1 | -174.3 | 174 | 0 | 0 | 113.1 | E170 | E170-E172 PolarHBondContact O-N 3.35Š|
| 173 | E | 73.2 | Confident | 66.9 | Low | 77 Ų | 77 | 91.8 Ų | 91.8 | 36% | 0.36 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -91.3 | 131 | -176.1 | -65.7 | 177.5 | 149.1 | 0 | 0 | 112 | W169 E170 V175 | W169-E173 WeakPolarHBondContact CB-OE2 3.36Å; E170-E173 HydrophobicContact CB-CG 4.36Å; E170-E173 PolarHBondContact N-OE2 3.47Å; E170-E173 PolarHBondContact O-N 2.74Å; E170-E173 VanDerWaalsContact O-N 3.1Å; E173-V175 PolarHBondContact O-N 2.8Å |
| 174 | T | 82.8 | Confident | 68.9 | Low | 60 Ų | 60 | 86.7 Ų | 86.7 | 37% | 0.368 | 43% | 0.426 | S | S | . | . | trans | -74.4 | 111 | 174.1 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | L200 E228 | T174-L200 HydrophobicContact CG2-CB 4.22Å; T174-L200 HydrophobicContact CG2-CD2 3.91Å; T174-L200 WeakPolarHBondContact O-CB 3.22Å; T174-L200 PolarHBondContact O-N 2.81Å; T174-E228 HydrophobicContact CG2-CG 3.93Å | ||
| 175 | V | 87.3 | Confident | 70.8 | Confident | 22 Ų | 22 | 86.4 Ų | 86.4 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 137.2 | -179.8 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | W169 E173 E197 Y198 K229 | W169-V175 HydrophobicContact CB-CG2 3.76Å; W169-V175 HydrophobicContact CG-CG2 3.78Å; E173-V175 PolarHBondContact O-N 2.8Å; V175-E197 HydrophobicContact CG1-CB 4.03Å; V175-E197 HydrophobicContact CG1-CG 4.4Å; V175-Y198 WeakPolarHBondContact CA-O 3.4Å; V175-K229 HydrophobicContact CB-CB 4.12Å; V175-K229 HydrophobicContact CB-CD 4.36Å; V175-K229 HydrophobicContact CG1-CB 4.15Å; V175-K229 HydrophobicContact CG1-CD 3.84Å; V175-K229 WeakPolarHBondContact O-CB 3.42Å; V175-K229 PolarHBondContact O-N 3.44Å |
| 176 | V | 88.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 153.3 | 174.1 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | E197 Y198 L200 W209 V211 L226 V227 | V176-E197 WeakPolarHBondContact O-CA 3.38Å; V176-Y198 WeakPolarHBondContact CG2-O 3.37Å; V176-Y198 PolarHBondContact N-O 3.16Å; V176-Y198 PolarHBondContact O-N 2.95Å; V176-L200 HydrophobicContact CG1-CB 4.03Å; V176-L200 HydrophobicContact CG1-CD2 4.35Å; V176-W209 HydrophobicContact CG1-CZ3 4.39Å; V176-V211 HydrophobicContact CG2-CG1 4.14Å; V176-L226 HydrophobicContact CB-CB 4.31Å; V176-L226 HydrophobicContact CB-CD2 4.31Å; V176-L226 HydrophobicContact CG2-CB 4.49Å; V176-L226 HydrophobicContact CG2-CD1 3.91Å; V176-L226 HydrophobicContact CG2-CD2 3.84Å; V176-L226 HydrophobicContact CG2-CG 4.3Å; V176-V227 CarbonylContact C-O 3.43Å; V176-V227 VanDerWaalsContact CA-O 3.24Å; V176-V227 WeakPolarHBondContact CA-O 3.21Å |
| 177 | I | 85.7 | Confident | 74.2 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134 | 176.9 | -54.6 | 179.4 | 0 | 0 | 0 | 108.7 | L179 E196 E197 L226 V227 K229 T236 | I177-L179 PolarHBondContact O-N 2.8Å; I177-E196 WeakPolarHBondContact CA-O 3.23Å; I177-E197 HydrophobicContact CG1-CG 4.41Å; I177-L226 WeakPolarHBondContact O-CA 3.49Å; I177-V227 HydrophobicContact CB-CG1 3.98Å; I177-V227 PolarHBondContact N-O 2.98Å; I177-V227 WeakPolarHBondContact O-CG1 3.37Å; I177-V227 PolarHBondContact O-N 2.81Å; I177-K229 HydrophobicContact CD1-CB 4.17Å; I177-K229 HydrophobicContact CD1-CD 4.01Å; I177-K229 HydrophobicContact CD1-CG 3.87Å; I177-K229 HydrophobicContact CG1-CB 4Å; I177-K229 HydrophobicContact CG1-CD 4.13Å; I177-K229 HydrophobicContact CG1-CG 4.16Å; I177-T236 HydrophobicContact CD1-CG2 4.08Å |
| 178 | A | 86.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 122.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L192 R193 N195 E196 Y198 Y225 L226 | A178-L192 HydrophobicContact CB-CB 3.99Å; A178-L192 HydrophobicContact CB-CD1 4.29Å; A178-L192 HydrophobicContact CB-CD2 4.35Å; A178-L192 HydrophobicContact CB-CG 4.46Å; A178-R193 WeakPolarHBondContact CB-O 3.42Å; A178-N195 PolarHBondContact O-N 3.48Å; A178-E196 PolarHBondContact N-O 3.29Å; A178-Y198 HydrophobicContact CB-CD2 4.29Å; A178-Y198 HydrophobicContact CB-CE2 3.7Å; A178-Y225 CarbonylContact C-O 3.59Å; A178-Y225 WeakPolarHBondContact CA-O 3.31Å; A178-L226 HydrophobicContact CB-CD2 4.18Å |
| 179 | L | 78.9 | Confident | 77.3 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -79.5 | -24 | 176.1 | -65.5 | -175.8 | 0 | 0 | 0 | 112.8 | I177 Y225 V227 | I177-L179 PolarHBondContact O-N 2.8Å; L179-Y225 PolarHBondContact N-O 3.22Å; L179-V227 HydrophobicContact CD1-CB 4.22Å; L179-V227 HydrophobicContact CD1-CG1 4.33Å; L179-V227 HydrophobicContact CD2-CB 4.34Å; L179-V227 HydrophobicContact CD2-CG1 3.56Å; L179-V227 HydrophobicContact CG-CB 4.22Å; L179-V227 HydrophobicContact CG-CG1 3.85Å |
| 180 | Y | 80.9 | Confident | 78.8 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -138.5 | 156.8 | -174.6 | -51.7 | -88.2 | 0 | 0 | 0 | 110.7 | Y225 R342 A345 P346 | Y180-Y225 HydrophobicContact CD2-CD1 4.37Å; Y180-Y225 HydrophobicContact CD2-CG 4.24Å; Y180-Y225 HydrophobicContact CG-CD1 4.41Å; Y180-R342 HydrophobicContact CE1-CB 4.15Å; Y180-R342 HydrophobicContact CE1-CG 4.42Å; Y180-A345 HydrophobicContact CD1-CB 3.96Å; Y180-A345 HydrophobicContact CG-CB 4.03Å; Y180-P346 VanDerWaalsContact CD2-CD 3.5Å; Y180-P346 HydrophobicContact CD2-CG 4.21Å; Y180-P346 HydrophobicContact CE2-CG 3.88Å; Y180-P346 VanDerWaalsContact CZ-CD 3.49Å |
| 181 | D | 83.2 | Confident | 80.2 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | trans | -72.5 | 135 | 167.3 | -62.6 | -43.1 | 0 | 0 | 0 | 109.3 | L192 R193 R194 | D181-L192 WeakPolarHBondContact CA-O 3.44Å; D181-R193 WeakPolarHBondContact OD1-CA 3.18Å; D181-R194 WeakPolarHBondContact OD1-CB 3.43Å; D181-R194 PolarHBondContact OD1-N 2.82Å | ||
| 182 | Y | 83.4 | Confident | 81.8 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 8% | 0.078 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -123.8 | 120.9 | 173 | -177.3 | -110.7 | 0 | 0 | 0 | 108.7 | T184 E189 L190 A191 L192 W208 P222 Y225 | Y182-T184 HydrophobicContact CE1-CG2 4.1Å; Y182-E189 HydrophobicContact CE1-CB 4.44Å; Y182-E189 WeakPolarHBondContact CE1-OE2 3.31Å; Y182-E189 PolarHBondContact OH-OE2 3.1Å; Y182-L190 WeakPolarHBondContact CD1-O 3.45Å; Y182-A191 CarbonylContact O-C 3.57Å; Y182-A191 VanDerWaalsContact O-CA 3.23Å; Y182-A191 WeakPolarHBondContact O-CA 3.25Å; Y182-A191 WeakPolarHBondContact O-CB 3.44Å; Y182-L192 PolarHBondContact N-O 2.9Å; Y182-L192 PolarHBondContact O-N 3.34Å; Y182-W208 WeakPolarHBondContact OH-CH2 3.46Å; Y182-P222 HydrophobicContact CD2-CG 3.99Å; Y182-P222 HydrophobicContact CE2-CG 3.76Å; Y182-Y225 HydrophobicContact CD2-CD1 4.33Å; Y182-Y225 AromaticContact CD2-CE1 3.9Å; Y182-Y225 HydrophobicContact CD2-CE1 3.9Å; Y182-Y225 HydrophobicContact CG-CD1 4.48Å; Y182-Y225 HydrophobicContact CG-CE1 4.4Å |
| 183 | Q | 83.3 | Confident | 83.1 | Confident | 178 Ų | 178 | 57.5 Ų | 57.5 | 83% | 0.832 | 30% | 0.298 | S | S | * | . | trans | -108.4 | 129.5 | 177.7 | -67.1 | -173.3 | -10.6 | 0 | 0 | 109.1 | ||||
| 184 | T | 78 | Confident | 83.5 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | trans | -137.7 | 149.6 | 177.5 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | Y182 D186 E189 | Y182-T184 HydrophobicContact CE1-CG2 4.1Å; T184-D186 PolarHBondContact OG1-N 3.33Å; T184-E189 WeakPolarHBondContact CB-OE2 3.33Å; T184-E189 HydrophobicContact CG2-CB 3.58Å; T184-E189 PolarHBondContact OG1-OE2 2.99Å | ||
| 185 | N | 75 | Confident | 83.3 | Confident | 161 Ų | 161 | 59.4 Ų | 59.4 | 86% | 0.861 | 30% | 0.302 | S | S | * | . | trans | -110.4 | 1.7 | 169.7 | -64.4 | -28.2 | 0 | 0 | 0 | 111.1 | ||||
| 186 | D | 73.4 | Confident | 83.3 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.064 | 31% | 0.308 | C | S | . | . | trans | -84.3 | 127.3 | 179.8 | -159.9 | -58.3 | 0 | 0 | 0 | 110 | T184 Q188 E189 K355 | T184-D186 PolarHBondContact OG1-N 3.33Å; D186-Q188 PolarHBondContact O-N 2.9Å; D186-Q188 PolarHBondContact OD1-N 3.4Å; D186-E189 HydrophobicContact CB-CB 4.32Å; D186-E189 HydrophobicContact CB-CG 4.09Å; D186-E189 PolarHBondContact O-N 2.9Å; D186-E189 VanDerWaalsContact O-N 3.12Å; D186-K355 IonicContact OD2-NZ 3.49Å | ||
| 187 | P | 79.1 | Confident | 83.3 | Confident | 124 Ų | 124 | 62.8 Ų | 62.8 | 81% | 0.805 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.7 | -179.6 | 26.2 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 188 | Q | 81.7 | Confident | 83.6 | Confident | 106 Ų | 106 | 61.7 Ų | 61.7 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -15.1 | 174.5 | -64.6 | -179.1 | 59.6 | 0 | 0 | 113 | D186 G219 Y220 | D186-Q188 PolarHBondContact O-N 2.9Å; D186-Q188 PolarHBondContact OD1-N 3.4Å; Q188-G219 WeakPolarHBondContact O-CA 3.41Å; Q188-Y220 PolarHBondContact O-N 2.91Å |
| 189 | E | 86.6 | Confident | 83.7 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -103.7 | 159.6 | -176.6 | -64.8 | 177.6 | -170.5 | 0 | 0 | 111.4 | Y182 T184 D186 W208 Y220 R352 Y353 | Y182-E189 HydrophobicContact CE1-CB 4.44Å; Y182-E189 WeakPolarHBondContact CE1-OE2 3.31Å; Y182-E189 PolarHBondContact OH-OE2 3.1Å; T184-E189 WeakPolarHBondContact CB-OE2 3.33Å; T184-E189 HydrophobicContact CG2-CB 3.58Å; T184-E189 PolarHBondContact OG1-OE2 2.99Å; D186-E189 HydrophobicContact CB-CB 4.32Å; D186-E189 HydrophobicContact CB-CG 4.09Å; D186-E189 PolarHBondContact O-N 2.9Å; D186-E189 VanDerWaalsContact O-N 3.12Å; E189-W208 HydrophobicContact CG-CZ3 4.2Å; E189-Y220 WeakPolarHBondContact CA-O 3.49Å; E189-Y220 WeakPolarHBondContact CB-O 3.38Å; E189-R352 WeakPolarHBondContact OE1-CA 3.47Å; E189-R352 VanDerWaalsContact OE1-CB 3.27Å; E189-R352 WeakPolarHBondContact OE1-CB 3.31Å; E189-Y353 PolarHBondContact OE1-N 2.81Å |
| 190 | L | 90.4 | Very high | 84.3 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | trans | -116.5 | 130.6 | 178.2 | -171.2 | 70.8 | 0 | 0 | 0 | 111 | Y182 L192 Y198 V211 D213 H217 Y220 V221 | Y182-L190 WeakPolarHBondContact CD1-O 3.45Å; L190-L192 PolarHBondContact O-N 2.71Å; L190-Y198 HydrophobicContact CD2-CD1 3.99Å; L190-Y198 HydrophobicContact CD2-CE1 4.07Å; L190-V211 HydrophobicContact CD2-CG2 3.81Å; L190-D213 HydrophobicContact CD2-CB 4.14Å; L190-H217 HydrophobicContact CD1-CB 3.84Å; L190-Y220 PolarHBondContact N-O 2.82Å; L190-Y220 VanDerWaalsContact N-O 3.08Å; L190-V221 HydrophobicContact CB-CG1 3.75Å; L190-V221 WeakPolarHBondContact O-CG1 3.37Å | ||
| 191 | A | 90.2 | Very high | 84.6 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 45% | 0.446 | 33% | 0.328 | S | S | . | . | trans | -67.8 | 129.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y182 | Y182-A191 CarbonylContact O-C 3.57Å; Y182-A191 VanDerWaalsContact O-CA 3.23Å; Y182-A191 WeakPolarHBondContact O-CA 3.25Å; Y182-A191 WeakPolarHBondContact O-CB 3.44Å | ||
| 192 | L | 89.3 | Confident | 84.7 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 142.5 | 174.7 | -59.9 | 176.3 | 0 | 0 | 0 | 110.9 | A178 D181 Y182 L190 Y198 V221 Y225 L226 | A178-L192 HydrophobicContact CB-CB 3.99Å; A178-L192 HydrophobicContact CB-CD1 4.29Å; A178-L192 HydrophobicContact CB-CD2 4.35Å; A178-L192 HydrophobicContact CB-CG 4.46Å; D181-L192 WeakPolarHBondContact CA-O 3.44Å; Y182-L192 PolarHBondContact N-O 2.9Å; Y182-L192 PolarHBondContact O-N 3.34Å; L190-L192 PolarHBondContact O-N 2.71Å; L192-Y198 WeakPolarHBondContact CA-OH 3.14Å; L192-Y198 HydrophobicContact CD2-CD1 4.08Å; L192-Y198 HydrophobicContact CD2-CD2 3.95Å; L192-Y198 HydrophobicContact CD2-CE1 3.72Å; L192-Y198 HydrophobicContact CD2-CE2 3.61Å; L192-Y198 HydrophobicContact CD2-CG 4.2Å; L192-Y198 VanDerWaalsContact CD2-CZ 3.49Å; L192-V221 HydrophobicContact CD1-CB 3.91Å; L192-V221 HydrophobicContact CD1-CG1 4.28Å; L192-V221 HydrophobicContact CD1-CG2 4.15Å; L192-V221 HydrophobicContact CD2-CB 4.26Å; L192-V221 HydrophobicContact CD2-CG1 3.84Å; L192-V221 HydrophobicContact CD2-CG2 4.29Å; L192-V221 HydrophobicContact CG-CB 4.12Å; L192-V221 HydrophobicContact CG-CG1 3.92Å; L192-Y225 HydrophobicContact CD1-CD1 4.41Å; L192-L226 HydrophobicContact CD1-CD2 4.05Å; L192-L226 HydrophobicContact CD1-CG 4.29Å; L192-L226 HydrophobicContact CD2-CD2 4.2Å |
| 193 | R | 87.2 | Confident | 84.7 | Confident | 158 Ų | 158 | 65.3 Ų | 65.3 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | trans | -115.9 | 128 | 169.5 | -70.4 | 177.7 | -179.2 | 176 | 4.6 | 108.7 | A178 D181 N195 E196 Y198 | A178-R193 WeakPolarHBondContact CB-O 3.42Å; D181-R193 WeakPolarHBondContact OD1-CA 3.18Å; R193-N195 PolarHBondContact O-N 3.35Å; R193-E196 HydrophobicContact CB-CB 4.24Å; R193-E196 VanDerWaalsContact CB-CD 3.48Å; R193-E196 HydrophobicContact CB-CG 3.74Å; R193-E196 VanDerWaalsContact CD-OE1 3.23Å; R193-E196 WeakPolarHBondContact CD-OE1 3.33Å; R193-E196 IonicContact NH1-OE1 3.94Å; R193-E196 WeakPolarHBondContact O-CB 3.43Å; R193-E196 PolarHBondContact O-N 3.13Å; R193-Y198 PolarHBondContact N-OH 3Å | ||
| 194 | R | 83 | Confident | 84.3 | Confident | 92 Ų | 92 | 61 Ų | 61 | 35% | 0.347 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.5 | -179.3 | 176.1 | 173.1 | 168.1 | -179.7 | -4.1 | 110.7 | D181 E196 E238 | D181-R194 WeakPolarHBondContact OD1-CB 3.43Å; D181-R194 PolarHBondContact OD1-N 2.82Å; R194-E196 PolarHBondContact O-N 3.24Å; R194-E238 IonicContact CZ-OE1 3.51Å; R194-E238 IonicContact NH2-OE1 2.7Å; R194-E238 PolarHBondContact NH2-OE1 3.11Å |
| 195 | N | 78.7 | Confident | 83.9 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 8.8 | -178 | -54.4 | -30.9 | 0 | 0 | 0 | 115 | A178 R193 | A178-N195 PolarHBondContact O-N 3.48Å; R193-N195 PolarHBondContact O-N 3.35Å |
| 196 | E | 85.9 | Confident | 83.5 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | trans | -82.5 | 158.4 | 168.8 | -67.3 | -166.3 | 175.8 | 0 | 0 | 111.9 | I177 A178 R193 R194 Y198 | I177-E196 WeakPolarHBondContact CA-O 3.23Å; A178-E196 PolarHBondContact N-O 3.29Å; R193-E196 HydrophobicContact CB-CB 4.24Å; R193-E196 VanDerWaalsContact CB-CD 3.48Å; R193-E196 HydrophobicContact CB-CG 3.74Å; R193-E196 VanDerWaalsContact CD-OE1 3.23Å; R193-E196 WeakPolarHBondContact CD-OE1 3.33Å; R193-E196 IonicContact NH1-OE1 3.94Å; R193-E196 WeakPolarHBondContact O-CB 3.43Å; R193-E196 PolarHBondContact O-N 3.13Å; R194-E196 PolarHBondContact O-N 3.24Å; E196-Y198 HydrophobicContact CB-CE2 3.85Å | ||
| 197 | E | 89.4 | Confident | 83.4 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136 | -176.1 | -64.9 | 178.2 | -158.7 | 0 | 0 | 109.8 | V175 V176 I177 K229 | V175-E197 HydrophobicContact CG1-CB 4.03Å; V175-E197 HydrophobicContact CG1-CG 4.4Å; V176-E197 WeakPolarHBondContact O-CA 3.38Å; I177-E197 HydrophobicContact CG1-CG 4.41Å; E197-K229 HydrophobicContact CG-CD 4.44Å; E197-K229 IonicContact OE1-NZ 3.52Å; E197-K229 PolarHBondContact OE1-NZ 3.5Å; E197-K229 IonicContact OE2-NZ 2.71Å; E197-K229 PolarHBondContact OE2-NZ 3.06Å |
| 198 | Y | 90.3 | Very high | 83.4 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 150.8 | -179.7 | -56.9 | -96.4 | 0 | 0 | 0 | 109.6 | V175 V176 A178 L190 L192 R193 E196 V211 Q212 D213 L226 | V175-Y198 WeakPolarHBondContact CA-O 3.4Å; V176-Y198 WeakPolarHBondContact CG2-O 3.37Å; V176-Y198 PolarHBondContact N-O 3.16Å; V176-Y198 PolarHBondContact O-N 2.95Å; A178-Y198 HydrophobicContact CB-CD2 4.29Å; A178-Y198 HydrophobicContact CB-CE2 3.7Å; L190-Y198 HydrophobicContact CD2-CD1 3.99Å; L190-Y198 HydrophobicContact CD2-CE1 4.07Å; L192-Y198 WeakPolarHBondContact CA-OH 3.14Å; L192-Y198 HydrophobicContact CD2-CD1 4.08Å; L192-Y198 HydrophobicContact CD2-CD2 3.95Å; L192-Y198 HydrophobicContact CD2-CE1 3.72Å; L192-Y198 HydrophobicContact CD2-CE2 3.61Å; L192-Y198 HydrophobicContact CD2-CG 4.2Å; L192-Y198 VanDerWaalsContact CD2-CZ 3.49Å; R193-Y198 PolarHBondContact N-OH 3Å; E196-Y198 HydrophobicContact CB-CE2 3.85Å; Y198-V211 HydrophobicContact CD1-CG2 4.26Å; Y198-V211 HydrophobicContact CG-CG2 4.44Å; Y198-Q212 WeakPolarHBondContact CA-O 3.43Å; Y198-Q212 WeakPolarHBondContact CB-O 3.35Å; Y198-D213 HydrophobicContact CD1-CB 4.13Å; Y198-D213 HydrophobicContact CE1-CB 4.02Å; Y198-L226 HydrophobicContact CD2-CD2 4.36Å |
| 199 | C | 89.9 | Confident | 83.7 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 127.8 | 172.4 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | W169 L201 V211 Q212 | W169-C199 HydrophobicContact CD2-CB 4.25Å; W169-C199 HydrophobicContact CE3-CB 3.76Å; W169-C199 HydrophobicContact CH2-CB 3.86Å; W169-C199 HydrophobicContact CZ2-CB 4.35Å; W169-C199 HydrophobicContact CZ3-CB 3.55Å; C199-L201 PolarHBondContact O-N 2.74Å; C199-V211 CarbonylContact O-C 3.5Å; C199-V211 WeakPolarHBondContact O-CA 3.28Å; C199-V211 WeakPolarHBondContact O-CB 3.44Å; C199-Q212 HydrophobicContact CB-CB 4.31Å; C199-Q212 PolarHBondContact N-O 3.45Å; C199-Q212 PolarHBondContact O-N 2.81Å |
| 200 | L | 90.3 | Very high | 83.9 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 115.9 | 177.3 | -178.3 | 66.5 | 0 | 0 | 0 | 109.5 | T174 V176 W209 V211 | T174-L200 HydrophobicContact CG2-CB 4.22Å; T174-L200 HydrophobicContact CG2-CD2 3.91Å; T174-L200 WeakPolarHBondContact O-CB 3.22Å; T174-L200 PolarHBondContact O-N 2.81Å; V176-L200 HydrophobicContact CG1-CB 4.03Å; V176-L200 HydrophobicContact CG1-CD2 4.35Å; L200-W209 HydrophobicContact CD1-CB 3.84Å; L200-W209 HydrophobicContact CD1-CD2 4.02Å; L200-W209 HydrophobicContact CD1-CE3 3.86Å; L200-W209 HydrophobicContact CD1-CG 4.06Å; L200-V211 HydrophobicContact CD1-CG1 4.08Å |
| 201 | L | 88.4 | Confident | 84 | Confident | 75 Ų | 75 | 58 Ų | 58 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -42.5 | -179.8 | -59 | 178.5 | 0 | 0 | 0 | 111.9 | C199 R210 Q212 E218 | C199-L201 PolarHBondContact O-N 2.74Å; L201-R210 HydrophobicContact CB-CB 4.49Å; L201-R210 HydrophobicContact CB-CG 4.39Å; L201-R210 WeakPolarHBondContact CB-O 3.41Å; L201-R210 HydrophobicContact CD1-CG 4.32Å; L201-R210 PolarHBondContact N-O 2.86Å; L201-Q212 HydrophobicContact CD1-CB 3.99Å; L201-Q212 HydrophobicContact CD2-CB 4.4Å; L201-Q212 HydrophobicContact CG-CB 4.23Å; L201-E218 HydrophobicContact CD1-CB 4.29Å; L201-E218 HydrophobicContact CD1-CG 3.7Å |
| 202 | D | 84.6 | Confident | 84.1 | Confident | 64 Ų | 64 | 57.4 Ų | 57.4 | 34% | 0.342 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 135.7 | 179.1 | -167.4 | 3.9 | 0 | 0 | 0 | 111.4 | S204 W209 R210 | D202-S204 VanDerWaalsContact CG-OG 3.25Å; D202-S204 WeakPolarHBondContact OD1-CB 3.44Å; D202-S204 PolarHBondContact OD1-N 2.88Å; D202-S204 PolarHBondContact OD1-OG 2.64Å; D202-S204 PolarHBondContact OD2-OG 3.08Å; D202-W209 WeakPolarHBondContact O-CA 3.47Å; D202-R210 HydrophobicContact CB-CB 3.95Å; D202-R210 PolarHBondContact N-O 2.77Å; D202-R210 VanDerWaalsContact N-O 3.16Å; D202-R210 PolarHBondContact O-N 2.73Å |
| 203 | S | 84.1 | Confident | 84.1 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 47% | 0.469 | 28% | 0.283 | S | S | . | . | trans | -128.5 | 17.8 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | E205 | S203-E205 VanDerWaalsContact C-N 3.27Å; S203-E205 PolarHBondContact O-N 3Å | ||
| 204 | S | 75.6 | Confident | 84 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 62% | 0.615 | 27% | 0.273 | S | S | * | . | trans | -61.9 | -34.1 | 178.9 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | D202 | D202-S204 VanDerWaalsContact CG-OG 3.25Å; D202-S204 WeakPolarHBondContact OD1-CB 3.44Å; D202-S204 PolarHBondContact OD1-N 2.88Å; D202-S204 PolarHBondContact OD1-OG 2.64Å; D202-S204 PolarHBondContact OD2-OG 3.08Å | ||
| 205 | E | 69.3 | Low | 84.1 | Confident | 76 Ų | 76 | 57.3 Ų | 57.3 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -84.4 | 137.5 | 172.2 | -76.7 | -170.5 | -137.5 | 0 | 0 | 111.8 | S203 H207 W208 W209 Y353 | S203-E205 VanDerWaalsContact C-N 3.27Å; S203-E205 PolarHBondContact O-N 3Å; E205-H207 PolarHBondContact O-N 3.42Å; E205-W208 VanDerWaalsContact CB-O 3.23Å; E205-W208 WeakPolarHBondContact CB-O 3.34Å; E205-W209 VanDerWaalsContact O-CD1 3.26Å; E205-W209 PolarHBondContact O-NE1 3.47Å; E205-Y353 WeakPolarHBondContact OE1-CE2 3.33Å; E205-Y353 PolarHBondContact OE1-OH 3.38Å; E205-Y353 VanDerWaalsContact OE1-OH 3.05Å; E205-Y353 WeakPolarHBondContact OE2-CE2 3.45Å |
| 206 | I | 66.3 | Low | 84.3 | Confident | 126 Ų | 126 | 55.2 Ų | 55.2 | 65% | 0.646 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -66.2 | -41.4 | -174.1 | -61 | 174 | 0 | 0 | 0 | 111.2 | S223 | I206-S223 PolarHBondContact O-OG 3.38Š|
| 207 | H | 70.1 | Confident | 84.3 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 15% | 0.153 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -108.5 | -16.9 | -168.6 | -61.1 | -55.6 | 0 | 0 | 0 | 115 | E205 P222 S223 A349 K412 S414 | E205-H207 PolarHBondContact O-N 3.42Å; H207-P222 CarbonylContact O-C 3.59Å; H207-P222 WeakPolarHBondContact O-CA 3.49Å; H207-S223 WeakPolarHBondContact CA-OG 3.48Å; H207-S223 PolarHBondContact O-N 2.93Å; H207-S223 PolarHBondContact O-OG 3.36Å; H207-A349 HydrophobicContact CB-CB 3.57Å; H207-K412 PolarHBondContact NE2-O 3.21Å; H207-S414 WeakPolarHBondContact CE1-CB 3.33Å |
| 208 | W | 80.9 | Confident | 84.5 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 118.3 | -177.4 | -71.1 | 89.2 | 0 | 0 | 0 | 108.8 | Y182 E189 E205 Y220 V221 P222 A349 Y353 | Y182-W208 WeakPolarHBondContact OH-CH2 3.46Å; E189-W208 HydrophobicContact CG-CZ3 4.2Å; E205-W208 VanDerWaalsContact CB-O 3.23Å; E205-W208 WeakPolarHBondContact CB-O 3.34Å; W208-Y220 HydrophobicContact CB-CD1 4.48Å; W208-V221 CarbonylContact C-O 3.56Å; W208-V221 WeakPolarHBondContact CA-O 3.06Å; W208-V221 VanDerWaalsContact CE3-C 3.47Å; W208-P222 HydrophobicContact CE3-CG 4.43Å; W208-P222 HydrophobicContact CH2-CG 3.98Å; W208-P222 HydrophobicContact CZ2-CG 4.49Å; W208-P222 HydrophobicContact CZ3-CG 3.94Å; W208-A349 PolarHBondContact NE1-O 2.95Å; W208-Y353 HydrophobicContact CB-CD2 3.72Å; W208-Y353 HydrophobicContact CB-CE2 4.12Å; W208-Y353 HydrophobicContact CD2-CD2 4.04Å; W208-Y353 HydrophobicContact CE3-CD2 4.34Å; W208-Y353 AromaticContact CG-CD2 3.77Å; W208-Y353 HydrophobicContact CG-CD2 3.77Å |
| 209 | W | 87.5 | Confident | 84.4 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.8 | 177 | -69.3 | -9.3 | 0 | 0 | 0 | 109.6 | V176 L200 D202 E205 V211 Y220 V221 S223 L226 | V176-W209 HydrophobicContact CG1-CZ3 4.39Å; L200-W209 HydrophobicContact CD1-CB 3.84Å; L200-W209 HydrophobicContact CD1-CD2 4.02Å; L200-W209 HydrophobicContact CD1-CE3 3.86Å; L200-W209 HydrophobicContact CD1-CG 4.06Å; D202-W209 WeakPolarHBondContact O-CA 3.47Å; E205-W209 VanDerWaalsContact O-CD1 3.26Å; E205-W209 PolarHBondContact O-NE1 3.47Å; W209-V211 HydrophobicContact CB-CG1 4.41Å; W209-Y220 CarbonylContact O-C 3.53Å; W209-Y220 WeakPolarHBondContact O-CA 3.28Å; W209-V221 PolarHBondContact N-O 2.98Å; W209-V221 PolarHBondContact O-N 3.44Å; W209-S223 VanDerWaalsContact CD2-CB 3.47Å; W209-L226 HydrophobicContact CB-CD1 4.45Å; W209-L226 HydrophobicContact CE3-CB 4.08Å; W209-L226 HydrophobicContact CE3-CD1 3.88Å; W209-L226 HydrophobicContact CZ3-CB 4.06Å |
| 210 | R | 90.1 | Very high | 84.3 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.3 | 172.1 | -169.5 | 175.3 | 170.5 | 177.5 | -3 | 108.5 | L201 D202 E218 Y220 | L201-R210 HydrophobicContact CB-CB 4.49Å; L201-R210 HydrophobicContact CB-CG 4.39Å; L201-R210 WeakPolarHBondContact CB-O 3.41Å; L201-R210 HydrophobicContact CD1-CG 4.32Å; L201-R210 PolarHBondContact N-O 2.86Å; D202-R210 HydrophobicContact CB-CB 3.95Å; D202-R210 PolarHBondContact N-O 2.77Å; D202-R210 VanDerWaalsContact N-O 3.16Å; D202-R210 PolarHBondContact O-N 2.73Å; R210-E218 IonicContact CZ-OE2 3.46Å; R210-E218 IonicContact NE-OE2 3.65Å; R210-E218 IonicContact NH2-OE2 2.95Å; R210-E218 PolarHBondContact NH2-OE2 2.94Å; R210-Y220 HydrophobicContact CB-CD1 4.08Å; R210-Y220 HydrophobicContact CB-CE1 3.87Å; R210-Y220 HydrophobicContact CG-CE1 4.42Å |
| 211 | V | 92.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 162.3 | -178.2 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | V176 L190 Y198 C199 L200 W209 E218 G219 V221 L226 | V176-V211 HydrophobicContact CG2-CG1 4.14Å; L190-V211 HydrophobicContact CD2-CG2 3.81Å; Y198-V211 HydrophobicContact CD1-CG2 4.26Å; Y198-V211 HydrophobicContact CG-CG2 4.44Å; C199-V211 CarbonylContact O-C 3.5Å; C199-V211 WeakPolarHBondContact O-CA 3.28Å; C199-V211 WeakPolarHBondContact O-CB 3.44Å; L200-V211 HydrophobicContact CD1-CG1 4.08Å; W209-V211 HydrophobicContact CB-CG1 4.41Å; V211-E218 WeakPolarHBondContact O-CA 3.14Å; V211-G219 PolarHBondContact N-O 3.29Å; V211-G219 PolarHBondContact O-N 2.93Å; V211-G219 VanDerWaalsContact O-N 3.08Å; V211-V221 HydrophobicContact CB-CG2 4.46Å; V211-V221 HydrophobicContact CG1-CG2 4.01Å; V211-V221 HydrophobicContact CG2-CB 4.39Å; V211-V221 HydrophobicContact CG2-CG1 3.83Å; V211-V221 HydrophobicContact CG2-CG2 3.6Å; V211-L226 HydrophobicContact CG1-CD1 3.6Å |
| 212 | Q | 92.1 | Very high | 83.9 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.8 | 175.8 | -166.3 | -178.8 | 74.2 | 0 | 0 | 111.1 | Y198 C199 L201 H217 E218 | Y198-Q212 WeakPolarHBondContact CA-O 3.43Å; Y198-Q212 WeakPolarHBondContact CB-O 3.35Å; C199-Q212 HydrophobicContact CB-CB 4.31Å; C199-Q212 PolarHBondContact N-O 3.45Å; C199-Q212 PolarHBondContact O-N 2.81Å; L201-Q212 HydrophobicContact CD1-CB 3.99Å; L201-Q212 HydrophobicContact CD2-CB 4.4Å; L201-Q212 HydrophobicContact CG-CB 4.23Å; Q212-H217 CarbonylContact C-O 3.59Å; Q212-H217 VanDerWaalsContact CA-O 3.27Å; Q212-H217 WeakPolarHBondContact CA-O 3.31Å; Q212-E218 HydrophobicContact CB-CG 4.15Å; Q212-E218 HydrophobicContact CG-CG 3.85Å; Q212-E218 PolarHBondContact NE2-OE1 2.91Å |
| 213 | D | 90.3 | Very high | 83.7 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | trans | -77.2 | 171.6 | 171.7 | 82.6 | -4 | 0 | 0 | 0 | 112.1 | W169 L190 Y198 N215 G216 H217 | W169-D213 WeakPolarHBondContact CH2-O 3.45Å; L190-D213 HydrophobicContact CD2-CB 4.14Å; Y198-D213 HydrophobicContact CD1-CB 4.13Å; Y198-D213 HydrophobicContact CE1-CB 4.02Å; D213-N215 PolarHBondContact O-N 3.44Å; D213-N215 VanDerWaalsContact O-N 3.09Å; D213-N215 VanDerWaalsContact OD1-C 3.28Å; D213-N215 VanDerWaalsContact OD1-CA 3.27Å; D213-N215 WeakPolarHBondContact OD1-CA 3.48Å; D213-N215 WeakPolarHBondContact OD1-CB 3.41Å; D213-N215 PolarHBondContact OD1-N 2.82Å; D213-N215 PolarHBondContact OD2-ND2 2.82Å; D213-G216 PolarHBondContact O-N 2.92Å; D213-G216 VanDerWaalsContact O-N 3.07Å; D213-G216 PolarHBondContact OD1-N 2.87Å; D213-H217 PolarHBondContact N-O 3.04Å; D213-H217 WeakPolarHBondContact OD1-CB 3.32Å; D213-H217 IonicContact OD1-CG 3.61Å; D213-H217 PolarHBondContact OD1-N 2.83Å; D213-H217 IonicContact OD1-ND1 3.29Å; D213-H217 PolarHBondContact OD1-ND1 2.88Å; D213-H217 IonicContact OD2-CE1 2.93Å; D213-H217 IonicContact OD2-CG 2.74Å; D213-H217 IonicContact OD2-ND1 2.91Å; D213-H217 PolarHBondContact OD2-ND1 3.32Å | ||
| 214 | R | 84.6 | Confident | 83.3 | Confident | 105 Ų | 105 | 54 Ų | 54 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.3 | 177.9 | -62.9 | 179.1 | -178.5 | 174 | 0.7 | 114.6 | W169 | W169-R214 HydrophobicContact CZ2-CG 3.97Š|
| 215 | N | 84.5 | Confident | 83.5 | Confident | 126 Ų | 126 | 50.9 Ų | 50.9 | 67% | 0.674 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -0 | -179.9 | -49 | -59.4 | 0 | 0 | 0 | 111.8 | D213 | D213-N215 PolarHBondContact O-N 3.44Å; D213-N215 VanDerWaalsContact O-N 3.09Å; D213-N215 VanDerWaalsContact OD1-C 3.28Å; D213-N215 VanDerWaalsContact OD1-CA 3.27Å; D213-N215 WeakPolarHBondContact OD1-CA 3.48Å; D213-N215 WeakPolarHBondContact OD1-CB 3.41Å; D213-N215 PolarHBondContact OD1-N 2.82Å; D213-N215 PolarHBondContact OD2-ND2 2.82Å |
| 216 | G | 82.8 | Confident | 84.3 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 85.4 | 9.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D213 | D213-G216 PolarHBondContact O-N 2.92Å; D213-G216 VanDerWaalsContact O-N 3.07Å; D213-G216 PolarHBondContact OD1-N 2.87Å |
| 217 | H | 87.2 | Confident | 85 | Confident | 113 Ų | 113 | 42 Ų | 42 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | trans | -77.1 | 134 | 172.8 | -53.9 | 116.3 | 0 | 0 | 0 | 110.2 | L190 Q212 D213 | L190-H217 HydrophobicContact CD1-CB 3.84Å; Q212-H217 CarbonylContact C-O 3.59Å; Q212-H217 VanDerWaalsContact CA-O 3.27Å; Q212-H217 WeakPolarHBondContact CA-O 3.31Å; D213-H217 PolarHBondContact N-O 3.04Å; D213-H217 WeakPolarHBondContact OD1-CB 3.32Å; D213-H217 IonicContact OD1-CG 3.61Å; D213-H217 PolarHBondContact OD1-N 2.83Å; D213-H217 IonicContact OD1-ND1 3.29Å; D213-H217 PolarHBondContact OD1-ND1 2.88Å; D213-H217 IonicContact OD2-CE1 2.93Å; D213-H217 IonicContact OD2-CG 2.74Å; D213-H217 IonicContact OD2-ND1 2.91Å; D213-H217 PolarHBondContact OD2-ND1 3.32Å | ||
| 218 | E | 92.6 | Very high | 85.6 | Confident | 87 Ų | 87 | 45.2 Ų | 45.2 | 41% | 0.407 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 146.6 | 179.5 | -60.8 | 178.8 | -172.3 | 0 | 0 | 110.5 | L201 R210 V211 Q212 | L201-E218 HydrophobicContact CD1-CB 4.29Å; L201-E218 HydrophobicContact CD1-CG 3.7Å; R210-E218 IonicContact CZ-OE2 3.46Å; R210-E218 IonicContact NE-OE2 3.65Å; R210-E218 IonicContact NH2-OE2 2.95Å; R210-E218 PolarHBondContact NH2-OE2 2.94Å; V211-E218 WeakPolarHBondContact O-CA 3.14Å; Q212-E218 HydrophobicContact CB-CG 4.15Å; Q212-E218 HydrophobicContact CG-CG 3.85Å; Q212-E218 PolarHBondContact NE2-OE1 2.91Å |
| 219 | G | 89.6 | Confident | 85.5 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175 | 170.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q188 V211 | Q188-G219 WeakPolarHBondContact O-CA 3.41Å; V211-G219 PolarHBondContact N-O 3.29Å; V211-G219 PolarHBondContact O-N 2.93Å; V211-G219 VanDerWaalsContact O-N 3.08Å |
| 220 | Y | 87.8 | Confident | 84.6 | Confident | 43 Ų | 43 | 48 Ų | 48 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 141.3 | 174.7 | -68.5 | -82.9 | 0 | 0 | 0 | 111 | Q188 E189 L190 W208 W209 R210 Y353 | Q188-Y220 PolarHBondContact O-N 2.91Å; E189-Y220 WeakPolarHBondContact CA-O 3.49Å; E189-Y220 WeakPolarHBondContact CB-O 3.38Å; L190-Y220 PolarHBondContact N-O 2.82Å; L190-Y220 VanDerWaalsContact N-O 3.08Å; W208-Y220 HydrophobicContact CB-CD1 4.48Å; W209-Y220 CarbonylContact O-C 3.53Å; W209-Y220 WeakPolarHBondContact O-CA 3.28Å; R210-Y220 HydrophobicContact CB-CD1 4.08Å; R210-Y220 HydrophobicContact CB-CE1 3.87Å; R210-Y220 HydrophobicContact CG-CE1 4.42Å; Y220-Y353 AromaticContact CD1-CD2 3.91Å; Y220-Y353 HydrophobicContact CD1-CD2 3.91Å; Y220-Y353 AromaticContact CD1-CE2 3.59Å; Y220-Y353 HydrophobicContact CD1-CE2 3.59Å; Y220-Y353 HydrophobicContact CD1-CG 4.48Å; Y220-Y353 AromaticContact CD1-CZ 3.91Å; Y220-Y353 AromaticContact CD2-CD1 3.72Å; Y220-Y353 HydrophobicContact CD2-CD1 3.72Å; Y220-Y353 HydrophobicContact CD2-CD2 4.26Å; Y220-Y353 AromaticContact CD2-CE1 3.61Å; Y220-Y353 HydrophobicContact CD2-CE1 3.61Å; Y220-Y353 HydrophobicContact CD2-CE2 4.15Å; Y220-Y353 HydrophobicContact CD2-CG 4.04Å; Y220-Y353 AromaticContact CD2-CZ 3.83Å; Y220-Y353 HydrophobicContact CE1-CE1 4.47Å; Y220-Y353 AromaticContact CE1-CE2 3.76Å; Y220-Y353 HydrophobicContact CE1-CE2 3.76Å; Y220-Y353 AromaticContact CE1-CZ 3.73Å; Y220-Y353 HydrophobicContact CE2-CD1 4.17Å; Y220-Y353 AromaticContact CE2-CE1 3.57Å; Y220-Y353 HydrophobicContact CE2-CE1 3.57Å; Y220-Y353 HydrophobicContact CE2-CE2 4.3Å; Y220-Y353 AromaticContact CE2-CZ 3.64Å; Y220-Y353 HydrophobicContact CG-CD1 4.05Å; Y220-Y353 AromaticContact CG-CD2 3.76Å; Y220-Y353 HydrophobicContact CG-CD2 3.76Å; Y220-Y353 HydrophobicContact CG-CE1 4.1Å; Y220-Y353 AromaticContact CG-CE2 3.8Å; Y220-Y353 HydrophobicContact CG-CE2 3.8Å; Y220-Y353 AromaticContact CG-CG 3.88Å; Y220-Y353 HydrophobicContact CG-CG 3.88Å; Y220-Y353 AromaticContact CG-CZ 3.96Å; Y220-Y353 AromaticContact CZ-CZ 3.58Å; Y220-Y353 PolarHBondContact OH-OH 3.21Å |
| 221 | V | 86.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 154.3 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | L190 L192 W208 W209 V211 S223 L226 | L190-V221 HydrophobicContact CB-CG1 3.75Å; L190-V221 WeakPolarHBondContact O-CG1 3.37Å; L192-V221 HydrophobicContact CD1-CB 3.91Å; L192-V221 HydrophobicContact CD1-CG1 4.28Å; L192-V221 HydrophobicContact CD1-CG2 4.15Å; L192-V221 HydrophobicContact CD2-CB 4.26Å; L192-V221 HydrophobicContact CD2-CG1 3.84Å; L192-V221 HydrophobicContact CD2-CG2 4.29Å; L192-V221 HydrophobicContact CG-CB 4.12Å; L192-V221 HydrophobicContact CG-CG1 3.92Å; W208-V221 CarbonylContact C-O 3.56Å; W208-V221 WeakPolarHBondContact CA-O 3.06Å; W208-V221 VanDerWaalsContact CE3-C 3.47Å; W209-V221 PolarHBondContact N-O 2.98Å; W209-V221 PolarHBondContact O-N 3.44Å; V211-V221 HydrophobicContact CB-CG2 4.46Å; V211-V221 HydrophobicContact CG1-CG2 4.01Å; V211-V221 HydrophobicContact CG2-CB 4.39Å; V211-V221 HydrophobicContact CG2-CG1 3.83Å; V211-V221 HydrophobicContact CG2-CG2 3.6Å; V221-S223 PolarHBondContact O-N 3.02Å; V221-L226 HydrophobicContact CG2-CD1 3.34Å; V221-L226 HydrophobicContact CG2-CG 4.07Å |
| 222 | P | 82.1 | Confident | 82 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 125.7 | 176.5 | -21.4 | 32.4 | 0 | 0 | 0 | 111.3 | Y182 H207 W208 S224 Y225 T348 | Y182-P222 HydrophobicContact CD2-CG 3.99Å; Y182-P222 HydrophobicContact CE2-CG 3.76Å; H207-P222 CarbonylContact O-C 3.59Å; H207-P222 WeakPolarHBondContact O-CA 3.49Å; W208-P222 HydrophobicContact CE3-CG 4.43Å; W208-P222 HydrophobicContact CH2-CG 3.98Å; W208-P222 HydrophobicContact CZ2-CG 4.49Å; W208-P222 HydrophobicContact CZ3-CG 3.94Å; P222-S224 PolarHBondContact O-N 3.47Å; P222-Y225 HydrophobicContact CB-CD2 3.68Å; P222-Y225 HydrophobicContact CB-CE2 4.17Å; P222-Y225 HydrophobicContact CB-CG 4.19Å; P222-Y225 HydrophobicContact CG-CD2 4.19Å; P222-Y225 HydrophobicContact CG-CE2 4.38Å; P222-Y225 HydrophobicContact CG-CG 4.48Å; P222-Y225 WeakPolarHBondContact O-CB 3.35Å; P222-Y225 PolarHBondContact O-N 3.43Å; P222-T348 HydrophobicContact CB-CG2 3.74Å; P222-T348 HydrophobicContact CG-CG2 3.43Å; P222-T348 VanDerWaalsContact CG-CG2 3.43Å |
| 223 | S | 81.4 | Confident | 81.3 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -61.8 | -32.6 | 179.5 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | I206 H207 W209 V221 Y225 L226 | I206-S223 PolarHBondContact O-OG 3.38Å; H207-S223 WeakPolarHBondContact CA-OG 3.48Å; H207-S223 PolarHBondContact O-N 2.93Å; H207-S223 PolarHBondContact O-OG 3.36Å; W209-S223 VanDerWaalsContact CD2-CB 3.47Å; V221-S223 PolarHBondContact O-N 3.02Å; S223-Y225 PolarHBondContact O-N 2.86Å; S223-Y225 VanDerWaalsContact O-N 3.14Å; S223-L226 PolarHBondContact O-N 2.83Å |
| 224 | S | 75.6 | Confident | 80.8 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -64.7 | -14.1 | 176.2 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | P222 | P222-S224 PolarHBondContact O-N 3.47Š|
| 225 | Y | 80.3 | Confident | 80.5 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -90.9 | -10.6 | 176.3 | -78.9 | -132.9 | 0 | 0 | 0 | 112.2 | A178 L179 Y180 Y182 L192 P222 S223 A345 P346 T348 | A178-Y225 CarbonylContact C-O 3.59Å; A178-Y225 WeakPolarHBondContact CA-O 3.31Å; L179-Y225 PolarHBondContact N-O 3.22Å; Y180-Y225 HydrophobicContact CD2-CD1 4.37Å; Y180-Y225 HydrophobicContact CD2-CG 4.24Å; Y180-Y225 HydrophobicContact CG-CD1 4.41Å; Y182-Y225 HydrophobicContact CD2-CD1 4.33Å; Y182-Y225 AromaticContact CD2-CE1 3.9Å; Y182-Y225 HydrophobicContact CD2-CE1 3.9Å; Y182-Y225 HydrophobicContact CG-CD1 4.48Å; Y182-Y225 HydrophobicContact CG-CE1 4.4Å; L192-Y225 HydrophobicContact CD1-CD1 4.41Å; P222-Y225 HydrophobicContact CB-CD2 3.68Å; P222-Y225 HydrophobicContact CB-CE2 4.17Å; P222-Y225 HydrophobicContact CB-CG 4.19Å; P222-Y225 HydrophobicContact CG-CD2 4.19Å; P222-Y225 HydrophobicContact CG-CE2 4.38Å; P222-Y225 HydrophobicContact CG-CG 4.48Å; P222-Y225 WeakPolarHBondContact O-CB 3.35Å; P222-Y225 PolarHBondContact O-N 3.43Å; S223-Y225 PolarHBondContact O-N 2.86Å; S223-Y225 VanDerWaalsContact O-N 3.14Å; Y225-A345 HydrophobicContact CE1-CB 3.79Å; Y225-A345 HydrophobicContact CE2-CB 4.34Å; Y225-A345 WeakPolarHBondContact OH-CB 3.39Å; Y225-P346 HydrophobicContact CD2-CG 3.82Å; Y225-P346 HydrophobicContact CE2-CG 3.72Å; Y225-P346 VanDerWaalsContact CE2-O 3.3Å; Y225-P346 WeakPolarHBondContact CE2-O 3.48Å; Y225-P346 PolarHBondContact OH-O 3.05Å; Y225-T348 HydrophobicContact CD2-CG2 4.38Å; Y225-T348 HydrophobicContact CE2-CG2 3.56Å |
| 226 | L | 84.1 | Confident | 80 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 151.2 | -174.2 | -69 | 174.8 | 0 | 0 | 0 | 111.1 | V176 I177 A178 L192 Y198 W209 V211 V221 S223 | V176-L226 HydrophobicContact CB-CB 4.31Å; V176-L226 HydrophobicContact CB-CD2 4.31Å; V176-L226 HydrophobicContact CG2-CB 4.49Å; V176-L226 HydrophobicContact CG2-CD1 3.91Å; V176-L226 HydrophobicContact CG2-CD2 3.84Å; V176-L226 HydrophobicContact CG2-CG 4.3Å; I177-L226 WeakPolarHBondContact O-CA 3.49Å; A178-L226 HydrophobicContact CB-CD2 4.18Å; L192-L226 HydrophobicContact CD1-CD2 4.05Å; L192-L226 HydrophobicContact CD1-CG 4.29Å; L192-L226 HydrophobicContact CD2-CD2 4.2Å; Y198-L226 HydrophobicContact CD2-CD2 4.36Å; W209-L226 HydrophobicContact CB-CD1 4.45Å; W209-L226 HydrophobicContact CE3-CB 4.08Å; W209-L226 HydrophobicContact CE3-CD1 3.88Å; W209-L226 HydrophobicContact CZ3-CB 4.06Å; V211-L226 HydrophobicContact CG1-CD1 3.6Å; V221-L226 HydrophobicContact CG2-CD1 3.34Å; V221-L226 HydrophobicContact CG2-CG 4.07Å; S223-L226 PolarHBondContact O-N 2.83Å |
| 227 | V | 82.3 | Confident | 79.8 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.8 | 171.6 | 61.8 | 0 | 0 | 0 | 0 | 109.2 | V176 I177 L179 K229 N233 E235 T236 | V176-V227 CarbonylContact C-O 3.43Å; V176-V227 VanDerWaalsContact CA-O 3.24Å; V176-V227 WeakPolarHBondContact CA-O 3.21Å; I177-V227 HydrophobicContact CB-CG1 3.98Å; I177-V227 PolarHBondContact N-O 2.98Å; I177-V227 WeakPolarHBondContact O-CG1 3.37Å; I177-V227 PolarHBondContact O-N 2.81Å; L179-V227 HydrophobicContact CD1-CB 4.22Å; L179-V227 HydrophobicContact CD1-CG1 4.33Å; L179-V227 HydrophobicContact CD2-CB 4.34Å; L179-V227 HydrophobicContact CD2-CG1 3.56Å; L179-V227 HydrophobicContact CG-CB 4.22Å; L179-V227 HydrophobicContact CG-CG1 3.85Å; V227-K229 PolarHBondContact O-N 2.9Å; V227-N233 WeakPolarHBondContact CG2-ND2 3.49Å; V227-E235 HydrophobicContact CG2-CB 3.68Å; V227-T236 HydrophobicContact CG1-CG2 3.82Å; V227-T236 HydrophobicContact CG2-CG2 3.91Å |
| 228 | E | 82.8 | Confident | 79.5 | Confident | 100 Ų | 100 | 45.9 Ų | 45.9 | 47% | 0.467 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 128.3 | 176.6 | -166 | -175.2 | 169.6 | 0 | 0 | 110.9 | T174 S230 N233 T236 | T174-E228 HydrophobicContact CG2-CG 3.93Å; E228-S230 PolarHBondContact O-N 3.14Å; E228-N233 WeakPolarHBondContact O-CB 3.48Å; E228-N233 PolarHBondContact O-ND2 2.74Å; E228-N233 VanDerWaalsContact O-ND2 3.16Å; E228-T236 WeakPolarHBondContact O-CG2 3.4Å |
| 229 | K | 77.6 | Confident | 79.3 | Confident | 93 Ų | 93 | 42.6 Ų | 42.6 | 40% | 0.404 | 22% | 0.22 | S | C | . | . | trans | -75.9 | 72.5 | 178.6 | -170.7 | 174 | 170.2 | -176.8 | 0 | 110 | V175 I177 E197 V227 | V175-K229 HydrophobicContact CB-CB 4.12Å; V175-K229 HydrophobicContact CB-CD 4.36Å; V175-K229 HydrophobicContact CG1-CB 4.15Å; V175-K229 HydrophobicContact CG1-CD 3.84Å; V175-K229 WeakPolarHBondContact O-CB 3.42Å; V175-K229 PolarHBondContact O-N 3.44Å; I177-K229 HydrophobicContact CD1-CB 4.17Å; I177-K229 HydrophobicContact CD1-CD 4.01Å; I177-K229 HydrophobicContact CD1-CG 3.87Å; I177-K229 HydrophobicContact CG1-CB 4Å; I177-K229 HydrophobicContact CG1-CD 4.13Å; I177-K229 HydrophobicContact CG1-CG 4.16Å; E197-K229 HydrophobicContact CG-CD 4.44Å; E197-K229 IonicContact OE1-NZ 3.52Å; E197-K229 PolarHBondContact OE1-NZ 3.5Å; E197-K229 IonicContact OE2-NZ 2.71Å; E197-K229 PolarHBondContact OE2-NZ 3.06Å; V227-K229 PolarHBondContact O-N 2.9Å | ||
| 230 | S | 70 | Confident | 79.2 | Confident | 36 Ų | 36 | 43.2 Ų | 43.2 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | trans | -106.8 | 139.9 | 171.9 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | E228 N232 N233 | E228-S230 PolarHBondContact O-N 3.14Å; S230-N232 PolarHBondContact O-N 3.04Å; S230-N232 PolarHBondContact OG-N 3.04Å; S230-N233 PolarHBondContact O-N 2.85Å | ||
| 231 | P | 61.3 | Low | 79 | Confident | 91 Ų | 91 | 41.8 Ų | 41.8 | 59% | 0.591 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -23 | 172.3 | -23 | 31.9 | 0 | 0 | 0 | 113.7 | ||
| 232 | N | 65.7 | Low | 78.6 | Confident | 128 Ų | 128 | 46.8 Ų | 46.8 | 68% | 0.684 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -12.9 | 179.7 | -64.2 | -20.8 | 0 | 0 | 0 | 113.2 | S230 L234 | S230-N232 PolarHBondContact O-N 3.04Å; S230-N232 PolarHBondContact OG-N 3.04Å; N232-L234 PolarHBondContact O-N 2.81Å |
| 233 | N | 77.3 | Confident | 78.1 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | trans | -85.7 | 97.2 | 180 | -167.9 | -9.8 | 0 | 0 | 0 | 110.4 | V227 E228 S230 E235 T236 | V227-N233 WeakPolarHBondContact CG2-ND2 3.49Å; E228-N233 WeakPolarHBondContact O-CB 3.48Å; E228-N233 PolarHBondContact O-ND2 2.74Å; E228-N233 VanDerWaalsContact O-ND2 3.16Å; S230-N233 PolarHBondContact O-N 2.85Å; N233-E235 PolarHBondContact O-N 2.64Å; N233-E235 WeakPolarHBondContact OD1-CB 3.48Å; N233-E235 PolarHBondContact OD1-N 2.81Å; N233-E235 VanDerWaalsContact OD1-N 3.13Å; N233-T236 HydrophobicContact CB-CG2 4.42Å; N233-T236 PolarHBondContact O-N 3.5Å; N233-T236 PolarHBondContact O-OG1 2.87Å | ||
| 234 | L | 80.9 | Confident | 77.9 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -65.8 | -21.2 | -178.7 | -55.7 | -178 | 0 | 0 | 0 | 112.8 | N232 T236 Y237 W239 Y240 Y273 I316 P317 | N232-L234 PolarHBondContact O-N 2.81Å; L234-T236 PolarHBondContact O-N 3.11Å; L234-T236 VanDerWaalsContact O-N 3.1Å; L234-Y237 PolarHBondContact O-N 3.23Å; L234-W239 HydrophobicContact CD2-CH2 4.18Å; L234-Y240 VanDerWaalsContact C-CD1 3.49Å; L234-Y240 HydrophobicContact CB-CD1 3.68Å; L234-Y240 HydrophobicContact CB-CD2 3.7Å; L234-Y240 HydrophobicContact CB-CE1 3.82Å; L234-Y240 HydrophobicContact CB-CE2 3.84Å; L234-Y240 HydrophobicContact CB-CG 3.58Å; L234-Y240 HydrophobicContact CD1-CD2 3.93Å; L234-Y240 HydrophobicContact CD1-CE2 3.59Å; L234-Y240 HydrophobicContact CG-CD2 4.48Å; L234-Y240 HydrophobicContact CG-CE2 4.39Å; L234-Y240 WeakPolarHBondContact O-CB 3.41Å; L234-Y240 WeakPolarHBondContact O-CD1 3.37Å; L234-Y273 HydrophobicContact CD1-CD1 3.73Å; L234-Y273 HydrophobicContact CD1-CE1 3.36Å; L234-Y273 HydrophobicContact CD1-CE2 4.29Å; L234-Y273 HydrophobicContact CD1-CG 4.31Å; L234-I316 HydrophobicContact CD1-CD1 3.89Å; L234-I316 HydrophobicContact CD1-CG2 4.5Å; L234-I316 HydrophobicContact CD2-CB 3.92Å; L234-I316 HydrophobicContact CD2-CD1 4.47Å; L234-I316 HydrophobicContact CD2-CG2 4.12Å; L234-P317 HydrophobicContact CD2-CG 4.12Å |
| 235 | E | 76.8 | Confident | 77.9 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -64.6 | -14 | 178 | -61.6 | -173.9 | -176 | 0 | 0 | 112.6 | V227 N233 Y237 Y240 K242 R342 | V227-E235 HydrophobicContact CG2-CB 3.68Å; N233-E235 PolarHBondContact O-N 2.64Å; N233-E235 WeakPolarHBondContact OD1-CB 3.48Å; N233-E235 PolarHBondContact OD1-N 2.81Å; N233-E235 VanDerWaalsContact OD1-N 3.13Å; E235-Y237 VanDerWaalsContact C-N 3.27Å; E235-Y237 PolarHBondContact O-N 3.33Å; E235-Y240 HydrophobicContact CG-CD1 4.08Å; E235-Y240 HydrophobicContact CG-CE1 3.87Å; E235-K242 WeakPolarHBondContact OE1-CD 3.45Å; E235-K242 WeakPolarHBondContact OE1-CE 3.37Å; E235-K242 IonicContact OE1-NZ 3.55Å; E235-K242 PolarHBondContact OE1-NZ 2.79Å; E235-R342 PolarHBondContact O-NH2 3.05Å |
| 236 | T | 75.1 | Confident | 77.8 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 14% | 0.141 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -67.8 | -24.8 | 171 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | I177 V227 E228 N233 L234 | I177-T236 HydrophobicContact CD1-CG2 4.08Å; V227-T236 HydrophobicContact CG1-CG2 3.82Å; V227-T236 HydrophobicContact CG2-CG2 3.91Å; E228-T236 WeakPolarHBondContact O-CG2 3.4Å; N233-T236 HydrophobicContact CB-CG2 4.42Å; N233-T236 PolarHBondContact O-N 3.5Å; N233-T236 PolarHBondContact O-OG1 2.87Å; L234-T236 PolarHBondContact O-N 3.11Å; L234-T236 VanDerWaalsContact O-N 3.1Å |
| 237 | Y | 79.4 | Confident | 77.3 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 29% | 0.286 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -97.4 | 132.8 | -170.8 | -59.2 | -87 | 0 | 0 | 0 | 113.3 | L234 E235 W239 Y240 P317 R342 | L234-Y237 PolarHBondContact O-N 3.23Å; E235-Y237 VanDerWaalsContact C-N 3.27Å; E235-Y237 PolarHBondContact O-N 3.33Å; Y237-W239 AromaticContact CD1-CE2 3.87Å; Y237-W239 AromaticContact CD1-CZ2 3.69Å; Y237-W239 HydrophobicContact CD1-CZ2 3.69Å; Y237-W239 AromaticContact CD1-NE1 3.69Å; Y237-W239 HydrophobicContact CD2-CH2 4.07Å; Y237-W239 AromaticContact CD2-CZ2 3.76Å; Y237-W239 HydrophobicContact CD2-CZ2 3.76Å; Y237-W239 HydrophobicContact CE1-CZ2 4.36Å; Y237-W239 HydrophobicContact CE2-CZ2 4.44Å; Y237-W239 AromaticContact CG-CE2 3.63Å; Y237-W239 HydrophobicContact CG-CH2 4.06Å; Y237-W239 AromaticContact CG-CZ2 3.35Å; Y237-W239 HydrophobicContact CG-CZ2 3.35Å; Y237-W239 AromaticContact CG-NE1 3.84Å; Y237-W239 PolarHBondContact O-N 2.8Å; Y237-W239 VanDerWaalsContact O-N 3.14Å; Y237-Y240 WeakPolarHBondContact O-CB 3.38Å; Y237-Y240 PolarHBondContact O-N 3.24Å; Y237-P317 HydrophobicContact CD2-CG 4.11Å; Y237-P317 HydrophobicContact CE1-CB 3.9Å; Y237-P317 HydrophobicContact CE1-CG 4.23Å; Y237-P317 HydrophobicContact CE2-CB 3.92Å; Y237-P317 HydrophobicContact CE2-CG 3.3Å; Y237-P317 VanDerWaalsContact CZ-CB 3.46Å; Y237-P317 WeakPolarHBondContact OH-CB 3.23Å; Y237-P317 WeakPolarHBondContact OH-CG 3.36Å; Y237-R342 PolarHBondContact O-NH2 3.43Å |
| 238 | E | 80 | Confident | 77 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.7 | -178.6 | -62.4 | -166.9 | 141.4 | 0 | 0 | 114.3 | R194 Y240 C339 | R194-E238 IonicContact CZ-OE1 3.51Å; R194-E238 IonicContact NH2-OE1 2.7Å; R194-E238 PolarHBondContact NH2-OE1 3.11Å; E238-Y240 VanDerWaalsContact C-N 3.29Å; E238-C339 WeakPolarHBondContact O-CB 3.24Å; E238-C339 PolarHBondContact O-SG 3.46Å; E238-C339 VanDerWaalsContact O-SG 3.37Å |
| 239 | W | 88.1 | Confident | 77.1 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -12.4 | 177.7 | 46 | -101.1 | 0 | 0 | 0 | 113.4 | L234 Y237 N241 F262 M263 V264 I316 P317 I320 P337 | L234-W239 HydrophobicContact CD2-CH2 4.18Å; Y237-W239 AromaticContact CD1-CE2 3.87Å; Y237-W239 AromaticContact CD1-CZ2 3.69Å; Y237-W239 HydrophobicContact CD1-CZ2 3.69Å; Y237-W239 AromaticContact CD1-NE1 3.69Å; Y237-W239 HydrophobicContact CD2-CH2 4.07Å; Y237-W239 AromaticContact CD2-CZ2 3.76Å; Y237-W239 HydrophobicContact CD2-CZ2 3.76Å; Y237-W239 HydrophobicContact CE1-CZ2 4.36Å; Y237-W239 HydrophobicContact CE2-CZ2 4.44Å; Y237-W239 AromaticContact CG-CE2 3.63Å; Y237-W239 HydrophobicContact CG-CH2 4.06Å; Y237-W239 AromaticContact CG-CZ2 3.35Å; Y237-W239 HydrophobicContact CG-CZ2 3.35Å; Y237-W239 AromaticContact CG-NE1 3.84Å; Y237-W239 PolarHBondContact O-N 2.8Å; Y237-W239 VanDerWaalsContact O-N 3.14Å; W239-N241 PolarHBondContact O-ND2 3.42Å; W239-F262 HydrophobicContact CB-CD2 4.39Å; W239-F262 HydrophobicContact CB-CE2 3.57Å; W239-F262 HydrophobicContact CB-CZ 3.82Å; W239-F262 AromaticContact CG-CE2 3.9Å; W239-F262 HydrophobicContact CG-CE2 3.9Å; W239-F262 HydrophobicContact CG-CZ 4.1Å; W239-M263 CarbonylContact O-C 3.52Å; W239-M263 WeakPolarHBondContact O-CA 3.5Å; W239-V264 HydrophobicContact CD2-CG2 4.23Å; W239-V264 HydrophobicContact CE3-CB 3.51Å; W239-V264 HydrophobicContact CE3-CG1 4.48Å; W239-V264 HydrophobicContact CE3-CG2 3.24Å; W239-V264 HydrophobicContact CZ3-CB 3.61Å; W239-V264 HydrophobicContact CZ3-CG1 4.1Å; W239-V264 HydrophobicContact CZ3-CG2 3.45Å; W239-V264 VanDerWaalsContact CZ3-CG2 3.45Å; W239-V264 PolarHBondContact O-N 2.92Å; W239-I316 HydrophobicContact CH2-CG2 3.97Å; W239-I316 HydrophobicContact CZ3-CG2 4.22Å; W239-P317 HydrophobicContact CH2-CG 4.42Å; W239-P317 HydrophobicContact CZ2-CB 4.36Å; W239-P317 HydrophobicContact CZ2-CG 4.4Å; W239-I320 HydrophobicContact CD2-CG1 4.44Å; W239-I320 HydrophobicContact CD2-CG2 4.09Å; W239-I320 HydrophobicContact CE3-CG1 4.33Å; W239-I320 HydrophobicContact CG-CG2 4.31Å; W239-I320 HydrophobicContact CH2-CB 4.48Å; W239-I320 HydrophobicContact CH2-CG1 3.93Å; W239-I320 HydrophobicContact CZ2-CB 4.1Å; W239-I320 HydrophobicContact CZ2-CG1 4.05Å; W239-I320 HydrophobicContact CZ2-CG2 4.25Å; W239-I320 HydrophobicContact CZ3-CG1 4.08Å; W239-P337 HydrophobicContact CB-CB 3.77Å |
| 240 | Y | 88.7 | Confident | 77.4 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 124.2 | -178.7 | -175.5 | -110.4 | 0 | 0 | 0 | 111.3 | L234 E235 Y237 E238 K242 V264 D266 Y273 | L234-Y240 VanDerWaalsContact C-CD1 3.49Å; L234-Y240 HydrophobicContact CB-CD1 3.68Å; L234-Y240 HydrophobicContact CB-CD2 3.7Å; L234-Y240 HydrophobicContact CB-CE1 3.82Å; L234-Y240 HydrophobicContact CB-CE2 3.84Å; L234-Y240 HydrophobicContact CB-CG 3.58Å; L234-Y240 HydrophobicContact CD1-CD2 3.93Å; L234-Y240 HydrophobicContact CD1-CE2 3.59Å; L234-Y240 HydrophobicContact CG-CD2 4.48Å; L234-Y240 HydrophobicContact CG-CE2 4.39Å; L234-Y240 WeakPolarHBondContact O-CB 3.41Å; L234-Y240 WeakPolarHBondContact O-CD1 3.37Å; E235-Y240 HydrophobicContact CG-CD1 4.08Å; E235-Y240 HydrophobicContact CG-CE1 3.87Å; Y237-Y240 WeakPolarHBondContact O-CB 3.38Å; Y237-Y240 PolarHBondContact O-N 3.24Å; E238-Y240 VanDerWaalsContact C-N 3.29Å; Y240-K242 HydrophobicContact CE1-CB 3.93Å; Y240-K242 HydrophobicContact CE1-CG 4.31Å; Y240-V264 CarbonylContact C-O 3.58Å; Y240-V264 WeakPolarHBondContact CA-O 3.05Å; Y240-V264 HydrophobicContact CD2-CB 4.15Å; Y240-V264 HydrophobicContact CD2-CG1 4.05Å; Y240-V264 HydrophobicContact CE2-CG1 4.45Å; Y240-D266 PolarHBondContact OH-OD1 3.23Å; Y240-D266 PolarHBondContact OH-OD2 2.95Å; Y240-Y273 AromaticContact CE2-CD1 3.97Å; Y240-Y273 HydrophobicContact CE2-CD1 3.97Å; Y240-Y273 HydrophobicContact CE2-CE1 4.04Å |
| 241 | N | 81.8 | Confident | 78 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | trans | -129.5 | 52.5 | -173 | -66.2 | -91.5 | 0 | 0 | 0 | 110.2 | W239 S243 I244 M263 V264 V338 C339 F340 | W239-N241 PolarHBondContact O-ND2 3.42Å; N241-S243 PolarHBondContact O-N 3.43Å; N241-I244 HydrophobicContact CB-CB 4.43Å; N241-I244 HydrophobicContact CB-CG2 3.91Å; N241-I244 WeakPolarHBondContact O-CB 3.32Å; N241-I244 WeakPolarHBondContact O-CG2 3.31Å; N241-I244 PolarHBondContact O-N 3.09Å; N241-M263 HydrophobicContact CB-CE 3.81Å; N241-M263 WeakPolarHBondContact ND2-CB 3.26Å; N241-M263 WeakPolarHBondContact ND2-CE 3.37Å; N241-V264 PolarHBondContact N-O 3.45Å; N241-V338 PolarHBondContact ND2-O 3.16Å; N241-C339 WeakPolarHBondContact OD1-CA 3.06Å; N241-F340 WeakPolarHBondContact OD1-CB 3.43Å; N241-F340 PolarHBondContact OD1-N 3.18Å | ||
| 242 | K | 79.1 | Confident | 79.1 | Confident | 105 Ų | 105 | 57.2 Ų | 57.2 | 46% | 0.457 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 11.1 | -112.2 | 172.8 | -160.3 | 177.9 | -171.1 | 158.1 | 0 | 115 | E235 Y240 I244 D266 | E235-K242 WeakPolarHBondContact OE1-CD 3.45Å; E235-K242 WeakPolarHBondContact OE1-CE 3.37Å; E235-K242 IonicContact OE1-NZ 3.55Å; E235-K242 PolarHBondContact OE1-NZ 2.79Å; Y240-K242 HydrophobicContact CE1-CB 3.93Å; Y240-K242 HydrophobicContact CE1-CG 4.31Å; K242-I244 VanDerWaalsContact C-N 3.31Å; K242-I244 PolarHBondContact O-N 2.75Å; K242-I244 VanDerWaalsContact O-N 3.15Å; K242-D266 VanDerWaalsContact CG-OD2 3.28Å; K242-D266 WeakPolarHBondContact CG-OD2 3.33Å; K242-D266 WeakPolarHBondContact O-CB 3.35Å; K242-D266 PolarHBondContact O-N 2.9Å |
| 243 | S | 72.7 | Confident | 80.2 | Confident | 89 Ų | 89 | 51.1 Ų | 51.1 | 62% | 0.622 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 44.7 | -173.6 | -46.9 | 0 | 0 | 0 | 0 | 113.7 | N241 | N241-S243 PolarHBondContact O-N 3.43Š|
| 244 | I | 76.2 | Confident | 80.5 | Confident | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | trans | -81.4 | 130.4 | 173.3 | -161.8 | 170.5 | 0 | 0 | 0 | 111.4 | N241 K242 K248 A249 L252 M263 R265 F340 | N241-I244 HydrophobicContact CB-CB 4.43Å; N241-I244 HydrophobicContact CB-CG2 3.91Å; N241-I244 WeakPolarHBondContact O-CB 3.32Å; N241-I244 WeakPolarHBondContact O-CG2 3.31Å; N241-I244 PolarHBondContact O-N 3.09Å; K242-I244 VanDerWaalsContact C-N 3.31Å; K242-I244 PolarHBondContact O-N 2.75Å; K242-I244 VanDerWaalsContact O-N 3.15Å; I244-K248 HydrophobicContact CD1-CB 4.34Å; I244-K248 HydrophobicContact CD1-CD 4.39Å; I244-K248 HydrophobicContact CD1-CG 4.04Å; I244-K248 HydrophobicContact CG1-CB 3.94Å; I244-K248 HydrophobicContact CG1-CD 4.07Å; I244-K248 HydrophobicContact CG1-CG 4Å; I244-A249 HydrophobicContact CG2-CB 4.2Å; I244-L252 HydrophobicContact CD1-CD1 3.31Å; I244-M263 HydrophobicContact CD1-CE 4.03Å; I244-R265 HydrophobicContact CG2-CB 3.55Å; I244-R265 HydrophobicContact CG2-CG 4.28Å; I244-F340 HydrophobicContact CD1-CB 3.89Å; I244-F340 HydrophobicContact CD1-CD1 3.99Å; I244-F340 HydrophobicContact CD1-CG 3.84Å | ||
| 245 | S | 75.4 | Confident | 80.6 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | trans | -65.9 | 156.5 | 176.2 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | D247 K248 A249 | S245-D247 PolarHBondContact O-N 2.93Å; S245-K248 PolarHBondContact O-N 3.43Å; S245-K248 VanDerWaalsContact OG-CB 3.28Å; S245-K248 WeakPolarHBondContact OG-CB 3.32Å; S245-K248 PolarHBondContact OG-N 2.79Å; S245-A249 WeakPolarHBondContact O-CB 3.33Å; S245-A249 PolarHBondContact O-N 3.01Å | ||
| 246 | R | 78.4 | Confident | 81 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 178.2 | -179.8 | 179.7 | 172.8 | 177.5 | -4.3 | 111.9 | K248 A249 E250 H292 | R246-K248 VanDerWaalsContact C-N 3.31Å; R246-K248 PolarHBondContact O-N 3.31Å; R246-A249 WeakPolarHBondContact O-CB 3.31Å; R246-A249 PolarHBondContact O-N 3.02Å; R246-E250 HydrophobicContact CG-CG 4.5Å; R246-E250 IonicContact CZ-OE1 2.69Å; R246-E250 IonicContact NE-OE1 3.73Å; R246-E250 PolarHBondContact NE-OE1 3.14Å; R246-E250 IonicContact NH2-OE1 3.09Å; R246-E250 PolarHBondContact NH2-OE1 3.31Å; R246-E250 WeakPolarHBondContact O-CG 3.45Å; R246-E250 PolarHBondContact O-N 3.17Å; R246-H292 PolarHBondContact NE-NE2 2.65Å |
| 247 | D | 73.1 | Confident | 81.3 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 60% | 0.599 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.1 | -37.4 | -176.6 | -52.6 | -49.6 | 0 | 0 | 0 | 111.7 | S245 E250 K251 | S245-D247 PolarHBondContact O-N 2.93Å; D247-E250 PolarHBondContact O-N 3.33Å; D247-K251 PolarHBondContact O-N 3.17Å |
| 248 | K | 77.7 | Confident | 81.6 | Confident | 63 Ų | 63 | 62.2 Ų | 62.2 | 27% | 0.274 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.1 | -41 | 176.7 | -166.4 | 172 | -178 | 172.7 | 0 | 111.6 | I244 S245 R246 E250 K251 L252 F340 | I244-K248 HydrophobicContact CD1-CB 4.34Å; I244-K248 HydrophobicContact CD1-CD 4.39Å; I244-K248 HydrophobicContact CD1-CG 4.04Å; I244-K248 HydrophobicContact CG1-CB 3.94Å; I244-K248 HydrophobicContact CG1-CD 4.07Å; I244-K248 HydrophobicContact CG1-CG 4Å; S245-K248 PolarHBondContact O-N 3.43Å; S245-K248 VanDerWaalsContact OG-CB 3.28Å; S245-K248 WeakPolarHBondContact OG-CB 3.32Å; S245-K248 PolarHBondContact OG-N 2.79Å; R246-K248 VanDerWaalsContact C-N 3.31Å; R246-K248 PolarHBondContact O-N 3.31Å; K248-E250 VanDerWaalsContact C-N 3.32Å; K248-K251 PolarHBondContact O-N 3.33Å; K248-L252 HydrophobicContact CG-CD1 4.46Å; K248-L252 VanDerWaalsContact O-CG 3.29Å; K248-L252 WeakPolarHBondContact O-CG 3.42Å; K248-L252 PolarHBondContact O-N 3.44Å; K248-F340 HydrophobicContact CD-CE1 4.49Å; K248-F340 HydrophobicContact CD-CZ 4.41Å; K248-F340 VanDerWaalsContact CE-CE1 3.46Å |
| 249 | A | 83.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I244 S245 R246 L252 L253 M263 | I244-A249 HydrophobicContact CG2-CB 4.2Å; S245-A249 WeakPolarHBondContact O-CB 3.33Å; S245-A249 PolarHBondContact O-N 3.01Å; R246-A249 WeakPolarHBondContact O-CB 3.31Å; R246-A249 PolarHBondContact O-N 3.02Å; A249-L252 PolarHBondContact O-N 2.69Å; A249-L253 VanDerWaalsContact O-CB 3.31Å; A249-L253 WeakPolarHBondContact O-CB 3.11Å; A249-L253 WeakPolarHBondContact O-CD1 3.15Å; A249-L253 WeakPolarHBondContact O-CG 3.48Å; A249-L253 PolarHBondContact O-N 2.87Å; A249-M263 HydrophobicContact CB-SD 3.6Å; A249-M263 VanDerWaalsContact CB-SD 3.6Å |
| 250 | E | 85 | Confident | 81.9 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 176.8 | -75.4 | -178.2 | -167.7 | 0 | 0 | 111.4 | R246 D247 K248 L252 L253 W254 I290 H292 | R246-E250 HydrophobicContact CG-CG 4.5Å; R246-E250 IonicContact CZ-OE1 2.69Å; R246-E250 IonicContact NE-OE1 3.73Å; R246-E250 PolarHBondContact NE-OE1 3.14Å; R246-E250 IonicContact NH2-OE1 3.09Å; R246-E250 PolarHBondContact NH2-OE1 3.31Å; R246-E250 WeakPolarHBondContact O-CG 3.45Å; R246-E250 PolarHBondContact O-N 3.17Å; D247-E250 PolarHBondContact O-N 3.33Å; K248-E250 VanDerWaalsContact C-N 3.32Å; E250-L252 PolarHBondContact O-N 3.37Å; E250-L253 PolarHBondContact O-N 3.34Å; E250-W254 VanDerWaalsContact O-CB 3.22Å; E250-W254 WeakPolarHBondContact O-CB 3.29Å; E250-W254 PolarHBondContact O-N 3.43Å; E250-I290 HydrophobicContact CB-CD1 3.87Å; E250-I290 HydrophobicContact CG-CB 4.26Å; E250-I290 HydrophobicContact CG-CD1 4.09Å; E250-I290 HydrophobicContact CG-CG2 4.02Å; E250-I290 VanDerWaalsContact O-CD1 3.23Å; E250-I290 WeakPolarHBondContact O-CD1 3.4Å; E250-H292 IonicContact OE1-CD2 3.95Å; E250-H292 IonicContact OE1-CE1 3.01Å; E250-H292 IonicContact OE1-NE2 3.45Å; E250-H292 PolarHBondContact OE1-NE2 3.03Å |
| 251 | K | 82.3 | Confident | 82 | Confident | 141 Ų | 141 | 59.4 Ų | 59.4 | 61% | 0.613 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -57.7 | -48.3 | 176 | -172.1 | 178.9 | 179.1 | -177.8 | 0 | 112.5 | D247 K248 W254 D255 | D247-K251 PolarHBondContact O-N 3.17Å; K248-K251 PolarHBondContact O-N 3.33Å; K251-W254 WeakPolarHBondContact O-CB 3.38Å; K251-W254 PolarHBondContact O-N 3.35Å; K251-D255 WeakPolarHBondContact O-CB 3.48Å; K251-D255 PolarHBondContact O-N 2.9Å |
| 252 | L | 84.8 | Confident | 82.6 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.199 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | -178.7 | -68.5 | 167.3 | 0 | 0 | 0 | 113.4 | I244 K248 A249 E250 W254 D255 T256 M263 V338 F340 | I244-L252 HydrophobicContact CD1-CD1 3.31Å; K248-L252 HydrophobicContact CG-CD1 4.46Å; K248-L252 VanDerWaalsContact O-CG 3.29Å; K248-L252 WeakPolarHBondContact O-CG 3.42Å; K248-L252 PolarHBondContact O-N 3.44Å; A249-L252 PolarHBondContact O-N 2.69Å; E250-L252 PolarHBondContact O-N 3.37Å; L252-W254 VanDerWaalsContact C-N 3.28Å; L252-D255 PolarHBondContact O-N 3.3Å; L252-T256 PolarHBondContact O-N 2.96Å; L252-T256 PolarHBondContact O-OG1 3.43Å; L252-M263 HydrophobicContact CD1-CE 4.31Å; L252-V338 HydrophobicContact CB-CG1 4.22Å; L252-F340 HydrophobicContact CD1-CB 3.69Å; L252-F340 HydrophobicContact CD1-CD2 3.34Å; L252-F340 HydrophobicContact CD1-CE2 4.24Å; L252-F340 HydrophobicContact CD1-CG 3.64Å; L252-F340 HydrophobicContact CD2-CD2 3.82Å; L252-F340 HydrophobicContact CD2-CE2 4.35Å; L252-F340 HydrophobicContact CG-CD2 4.19Å |
| 253 | L | 87.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 175.4 | -73.2 | 170.9 | 0 | 0 | 0 | 110.8 | A249 E250 T256 G257 A261 M263 F278 I290 V338 | A249-L253 VanDerWaalsContact O-CB 3.31Å; A249-L253 WeakPolarHBondContact O-CB 3.11Å; A249-L253 WeakPolarHBondContact O-CD1 3.15Å; A249-L253 WeakPolarHBondContact O-CG 3.48Å; A249-L253 PolarHBondContact O-N 2.87Å; E250-L253 PolarHBondContact O-N 3.34Å; L253-T256 PolarHBondContact O-N 3.19Å; L253-G257 PolarHBondContact O-N 2.99Å; L253-A261 HydrophobicContact CD2-CB 4.2Å; L253-M263 HydrophobicContact CD1-CG 4.34Å; L253-M263 HydrophobicContact CD1-SD 4.12Å; L253-M263 HydrophobicContact CD2-SD 4.37Å; L253-M263 HydrophobicContact CG-SD 3.98Å; L253-F278 HydrophobicContact CB-CB 4.37Å; L253-I290 HydrophobicContact CB-CD1 4.35Å; L253-I290 HydrophobicContact CB-CG1 4.14Å; L253-I290 HydrophobicContact CD1-CG2 3.82Å; L253-V338 HydrophobicContact CD2-CB 4.09Å; L253-V338 HydrophobicContact CD2-CG2 3.77Å |
| 254 | W | 84.8 | Confident | 84.2 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 53% | 0.53 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.6 | -50.3 | 174.5 | -168.3 | -91.4 | 0 | 0 | 0 | 112.1 | E250 K251 L252 T256 G257 F278 C289 I290 | E250-W254 VanDerWaalsContact O-CB 3.22Å; E250-W254 WeakPolarHBondContact O-CB 3.29Å; E250-W254 PolarHBondContact O-N 3.43Å; K251-W254 WeakPolarHBondContact O-CB 3.38Å; K251-W254 PolarHBondContact O-N 3.35Å; L252-W254 VanDerWaalsContact C-N 3.28Å; W254-T256 PolarHBondContact O-N 2.99Å; W254-G257 WeakPolarHBondContact O-CA 3.48Å; W254-G257 PolarHBondContact O-N 2.78Å; W254-F278 HydrophobicContact CD2-CE2 4.36Å; W254-F278 HydrophobicContact CE3-CD2 4.49Å; W254-F278 AromaticContact CE3-CE2 3.79Å; W254-F278 HydrophobicContact CE3-CE2 3.79Å; W254-F278 HydrophobicContact CZ3-CE2 4.19Å; W254-C289 HydrophobicContact CE3-CB 4.45Å; W254-C289 HydrophobicContact CZ3-CB 3.76Å; W254-I290 HydrophobicContact CB-CD1 4.35Å; W254-I290 HydrophobicContact CE3-CD1 4.09Å |
| 255 | D | 82.3 | Confident | 84.8 | Confident | 109 Ų | 109 | 49.7 Ų | 49.7 | 58% | 0.583 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.9 | -31.8 | 178.5 | -68 | -17.5 | 0 | 0 | 0 | 111.7 | K251 L252 | K251-D255 WeakPolarHBondContact O-CB 3.48Å; K251-D255 PolarHBondContact O-N 2.9Å; L252-D255 PolarHBondContact O-N 3.3Å |
| 256 | T | 85.4 | Confident | 85.1 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 31% | 0.307 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.6 | -36.6 | 173.8 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | L252 L253 W254 K258 A261 V338 | L252-T256 PolarHBondContact O-N 2.96Å; L252-T256 PolarHBondContact O-OG1 3.43Å; L253-T256 PolarHBondContact O-N 3.19Å; W254-T256 PolarHBondContact O-N 2.99Å; T256-K258 HydrophobicContact CG2-CB 4.25Å; T256-K258 HydrophobicContact CG2-CD 4.26Å; T256-K258 HydrophobicContact CG2-CG 4.35Å; T256-K258 WeakPolarHBondContact O-CG 3.33Å; T256-K258 PolarHBondContact O-N 2.66Å; T256-A261 HydrophobicContact CG2-CB 3.89Å; T256-V338 HydrophobicContact CG2-CG2 3.97Å |
| 257 | G | 81.3 | Confident | 84.9 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | trans | 62.2 | 13.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L253 W254 K280 | L253-G257 PolarHBondContact O-N 2.99Å; W254-G257 WeakPolarHBondContact O-CA 3.48Å; W254-G257 PolarHBondContact O-N 2.78Å; G257-K280 WeakPolarHBondContact O-CE 3.45Å; G257-K280 PolarHBondContact O-NZ 2.78Å | ||
| 258 | K | 85 | Confident | 84 | Confident | 111 Ų | 111 | 44.4 Ų | 44.4 | 48% | 0.483 | 21% | 0.21 | S | C | . | . | trans | -103.9 | 132.9 | -175.8 | -69.8 | 174.6 | -174.4 | 176.3 | 0 | 111.6 | T256 G260 A261 F278 Y336 | T256-K258 HydrophobicContact CG2-CB 4.25Å; T256-K258 HydrophobicContact CG2-CD 4.26Å; T256-K258 HydrophobicContact CG2-CG 4.35Å; T256-K258 WeakPolarHBondContact O-CG 3.33Å; T256-K258 PolarHBondContact O-N 2.66Å; K258-G260 PolarHBondContact O-N 3.43Å; K258-A261 HydrophobicContact CB-CB 4.37Å; K258-A261 WeakPolarHBondContact O-CB 3.35Å; K258-A261 PolarHBondContact O-N 3.19Å; K258-F278 WeakPolarHBondContact O-CD1 3.28Å; K258-Y336 HydrophobicContact CB-CD2 3.61Å; K258-Y336 HydrophobicContact CB-CE2 3.96Å; K258-Y336 HydrophobicContact CB-CG 4.22Å; K258-Y336 HydrophobicContact CD-CD1 4.21Å; K258-Y336 HydrophobicContact CD-CD2 4.19Å; K258-Y336 HydrophobicContact CD-CE1 4.44Å; K258-Y336 HydrophobicContact CD-CE2 4.43Å; K258-Y336 HydrophobicContact CD-CG 4.08Å; K258-Y336 HydrophobicContact CG-CD2 4.46Å | ||
| 259 | E | 87.9 | Confident | 82.9 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 126 | 175.2 | 179.8 | 64.4 | -152.1 | 0 | 0 | 110.8 | A261 T279 K280 T332 R335 Y336 | E259-A261 VanDerWaalsContact C-N 3.27Å; E259-A261 PolarHBondContact O-N 2.75Å; E259-T279 PolarHBondContact OE1-OG1 3.01Å; E259-T279 WeakPolarHBondContact OE2-CA 3.49Å; E259-K280 WeakPolarHBondContact OE2-CB 3.44Å; E259-K280 WeakPolarHBondContact OE2-CG 3.23Å; E259-K280 PolarHBondContact OE2-N 3.2Å; E259-T332 WeakPolarHBondContact OE1-CB 3.46Å; E259-T332 WeakPolarHBondContact OE1-CG2 3.37Å; E259-T332 PolarHBondContact OE1-OG1 3.39Å; E259-R335 WeakPolarHBondContact O-CD 3.48Å; E259-Y336 WeakPolarHBondContact O-CD2 3.33Å; E259-Y336 WeakPolarHBondContact O-CE2 3.39Å |
| 260 | G | 86.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 18.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K258 F278 R333 R335 Y336 | K258-G260 PolarHBondContact O-N 3.43Å; G260-F278 PolarHBondContact N-O 3.3Å; G260-R333 WeakPolarHBondContact CA-O 3.22Å; G260-R335 PolarHBondContact O-N 3.41Å; G260-Y336 PolarHBondContact O-N 3.1Å; G260-Y336 VanDerWaalsContact O-N 3.13Å |
| 261 | A | 91.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 134.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L253 T256 K258 E259 V277 F278 Y336 V338 | L253-A261 HydrophobicContact CD2-CB 4.2Å; T256-A261 HydrophobicContact CG2-CB 3.89Å; K258-A261 HydrophobicContact CB-CB 4.37Å; K258-A261 WeakPolarHBondContact O-CB 3.35Å; K258-A261 PolarHBondContact O-N 3.19Å; E259-A261 VanDerWaalsContact C-N 3.27Å; E259-A261 PolarHBondContact O-N 2.75Å; A261-V277 CarbonylContact O-C 3.59Å; A261-V277 WeakPolarHBondContact O-CA 3.16Å; A261-F278 HydrophobicContact CB-CB 4.11Å; A261-F278 PolarHBondContact O-N 2.73Å; A261-Y336 CarbonylContact C-O 3.54Å; A261-Y336 VanDerWaalsContact CA-O 3.25Å; A261-Y336 WeakPolarHBondContact CA-O 3.43Å; A261-V338 HydrophobicContact CB-CG2 3.95Å |
| 262 | F | 94.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 160 | -172.6 | 80.4 | -76.8 | 0 | 0 | 0 | 113.4 | W239 V275 S276 V277 I320 Q324 L334 Y336 P337 V338 | W239-F262 HydrophobicContact CB-CD2 4.39Å; W239-F262 HydrophobicContact CB-CE2 3.57Å; W239-F262 HydrophobicContact CB-CZ 3.82Å; W239-F262 AromaticContact CG-CE2 3.9Å; W239-F262 HydrophobicContact CG-CE2 3.9Å; W239-F262 HydrophobicContact CG-CZ 4.1Å; F262-V275 HydrophobicContact CD2-CG1 4.47Å; F262-S276 CarbonylContact C-O 3.5Å; F262-S276 WeakPolarHBondContact CA-O 3.47Å; F262-S276 WeakPolarHBondContact CB-O 3.34Å; F262-V277 HydrophobicContact CB-CG1 4.48Å; F262-V277 HydrophobicContact CB-CG2 4.13Å; F262-I320 HydrophobicContact CE2-CG2 3.64Å; F262-I320 HydrophobicContact CZ-CG2 3.96Å; F262-Q324 HydrophobicContact CE1-CG 4.48Å; F262-Q324 HydrophobicContact CZ-CG 4.26Å; F262-L334 HydrophobicContact CB-CD2 3.66Å; F262-L334 HydrophobicContact CD1-CB 3.63Å; F262-L334 HydrophobicContact CD1-CD2 4.33Å; F262-L334 HydrophobicContact CD1-CG 4.44Å; F262-L334 HydrophobicContact CD2-CB 4.15Å; F262-L334 HydrophobicContact CD2-CD1 3.84Å; F262-L334 HydrophobicContact CD2-CD2 4Å; F262-L334 HydrophobicContact CD2-CG 4.21Å; F262-L334 HydrophobicContact CE1-CB 3.74Å; F262-L334 HydrophobicContact CE2-CB 4.26Å; F262-L334 HydrophobicContact CE2-CD1 3.92Å; F262-L334 HydrophobicContact CG-CB 3.84Å; F262-L334 HydrophobicContact CG-CD1 4.29Å; F262-L334 HydrophobicContact CG-CD2 3.73Å; F262-L334 HydrophobicContact CG-CG 4.15Å; F262-L334 HydrophobicContact CZ-CB 4.07Å; F262-L334 HydrophobicContact CZ-CD1 4.44Å; F262-Y336 WeakPolarHBondContact CD1-O 3.49Å; F262-Y336 PolarHBondContact N-O 3.14Å; F262-P337 HydrophobicContact CE1-CB 4.01Å; F262-P337 HydrophobicContact CZ-CB 4.1Å; F262-P337 CarbonylContact O-C 3.58Å; F262-P337 WeakPolarHBondContact O-CA 3.43Å; F262-V338 PolarHBondContact O-N 3.46Å |
| 263 | M | 93 | Very high | 80.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 154.6 | 169.8 | 67.2 | -156.7 | -34.1 | 0 | 0 | 110.9 | W239 N241 I244 A249 L252 L253 V275 S276 V338 | W239-M263 CarbonylContact O-C 3.52Å; W239-M263 WeakPolarHBondContact O-CA 3.5Å; N241-M263 HydrophobicContact CB-CE 3.81Å; N241-M263 WeakPolarHBondContact ND2-CB 3.26Å; N241-M263 WeakPolarHBondContact ND2-CE 3.37Å; I244-M263 HydrophobicContact CD1-CE 4.03Å; A249-M263 HydrophobicContact CB-SD 3.6Å; A249-M263 VanDerWaalsContact CB-SD 3.6Å; L252-M263 HydrophobicContact CD1-CE 4.31Å; L253-M263 HydrophobicContact CD1-CG 4.34Å; L253-M263 HydrophobicContact CD1-SD 4.12Å; L253-M263 HydrophobicContact CD2-SD 4.37Å; L253-M263 HydrophobicContact CG-SD 3.98Å; M263-V275 WeakPolarHBondContact O-CA 3.47Å; M263-S276 PolarHBondContact N-O 3.27Å; M263-S276 PolarHBondContact O-N 3.14Å; M263-V338 HydrophobicContact CE-CB 4.47Å; M263-V338 HydrophobicContact CE-CG1 4.18Å |
| 264 | V | 92.6 | Very high | 81 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 137.2 | 168 | -174.6 | 0 | 0 | 0 | 0 | 108 | W239 Y240 N241 T274 V275 I295 I320 | W239-V264 HydrophobicContact CD2-CG2 4.23Å; W239-V264 HydrophobicContact CE3-CB 3.51Å; W239-V264 HydrophobicContact CE3-CG1 4.48Å; W239-V264 HydrophobicContact CE3-CG2 3.24Å; W239-V264 HydrophobicContact CZ3-CB 3.61Å; W239-V264 HydrophobicContact CZ3-CG1 4.1Å; W239-V264 HydrophobicContact CZ3-CG2 3.45Å; W239-V264 VanDerWaalsContact CZ3-CG2 3.45Å; W239-V264 PolarHBondContact O-N 2.92Å; Y240-V264 CarbonylContact C-O 3.58Å; Y240-V264 WeakPolarHBondContact CA-O 3.05Å; Y240-V264 HydrophobicContact CD2-CB 4.15Å; Y240-V264 HydrophobicContact CD2-CG1 4.05Å; Y240-V264 HydrophobicContact CE2-CG1 4.45Å; N241-V264 PolarHBondContact N-O 3.45Å; V264-T274 WeakPolarHBondContact CA-O 3.11Å; V264-V275 HydrophobicContact CG2-CG2 4.22Å; V264-I295 HydrophobicContact CG1-CD1 4.07Å; V264-I320 HydrophobicContact CG2-CD1 3.44Å; V264-I320 VanDerWaalsContact CG2-CD1 3.44Å; V264-I320 HydrophobicContact CG2-CG1 3.9Å |
| 265 | R | 88.7 | Confident | 81.3 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 160.5 | 179.5 | 58.4 | -177.9 | 178.7 | 78.3 | 0.4 | 109.7 | I244 S267 Y273 T274 S276 H292 | I244-R265 HydrophobicContact CG2-CB 3.55Å; I244-R265 HydrophobicContact CG2-CG 4.28Å; R265-S267 PolarHBondContact O-N 3.33Å; R265-Y273 WeakPolarHBondContact O-CA 3.37Å; R265-T274 PolarHBondContact N-O 3.18Å; R265-T274 PolarHBondContact O-N 3.14Å; R265-S276 PolarHBondContact NE-OG 3.33Å; R265-H292 PolarHBondContact NH2-ND1 2.92Å |
| 266 | D | 83.1 | Confident | 81.8 | Confident | 44 Ų | 44 | 35.4 Ų | 35.4 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 133.7 | 168.4 | -69.6 | -35.7 | 0 | 0 | 0 | 109.2 | Y240 K242 Y273 | Y240-D266 PolarHBondContact OH-OD1 3.23Å; Y240-D266 PolarHBondContact OH-OD2 2.95Å; K242-D266 VanDerWaalsContact CG-OD2 3.28Å; K242-D266 WeakPolarHBondContact CG-OD2 3.33Å; K242-D266 WeakPolarHBondContact O-CB 3.35Å; K242-D266 PolarHBondContact O-N 2.9Å; D266-Y273 WeakPolarHBondContact OD1-CD1 3.46Å; D266-Y273 VanDerWaalsContact OD1-CE1 3.26Å; D266-Y273 WeakPolarHBondContact OD1-CE1 3.26Å |
| 267 | S | 73.4 | Confident | 82.2 | Confident | 14 Ų | 14 | 33 Ų | 33 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | trans | -79.5 | 169.5 | 168.8 | -75.2 | 0 | 0 | 0 | 0 | 109.6 | R265 T269 T272 Y273 T274 | R265-S267 PolarHBondContact O-N 3.33Å; S267-T269 PolarHBondContact O-N 2.9Å; S267-T272 VanDerWaalsContact CB-O 3.26Å; S267-T272 WeakPolarHBondContact CB-O 3.44Å; S267-T272 WeakPolarHBondContact CB-OG1 3.41Å; S267-T272 PolarHBondContact N-O 2.71Å; S267-Y273 WeakPolarHBondContact OG-CA 3.41Å; S267-Y273 PolarHBondContact OG-N 3.39Å; S267-Y273 PolarHBondContact OG-O 2.76Å; S267-Y273 VanDerWaalsContact OG-O 3.09Å; S267-T274 PolarHBondContact OG-N 3.24Å; S267-T274 PolarHBondContact OG-OG1 3.04Å | ||
| 268 | R | 54.5 | Low | 82.6 | Confident | 97 Ų | 97 | 32.3 Ų | 32.3 | 37% | 0.366 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -54 | -36.3 | 174.8 | -66.6 | -171 | 170.1 | -176.7 | -4.3 | 114.5 | E617 | R268-E617 VanDerWaalsContact CA-CD 3.44Å; R268-E617 WeakPolarHBondContact CA-OE1 3.44Å; R268-E617 WeakPolarHBondContact CA-OE2 3.26Å; R268-E617 HydrophobicContact CB-CG 3.99Å; R268-E617 WeakPolarHBondContact CB-OE2 3.49Å; R268-E617 HydrophobicContact CG-CB 4.13Å; R268-E617 HydrophobicContact CG-CG 3.51Å; R268-E617 PolarHBondContact NH1-O 3.33Å; R268-E617 PolarHBondContact NH2-O 3.45Å |
| 269 | T | 54.5 | Low | 82.6 | Confident | 89 Ų | 89 | 27 Ų | 27 | 55% | 0.546 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -90.1 | 124.5 | 176.2 | -49.6 | 0 | 0 | 0 | 0 | 110 | S267 G271 T272 | S267-T269 PolarHBondContact O-N 2.9Å; T269-G271 PolarHBondContact O-N 2.7Å; T269-T272 WeakPolarHBondContact CB-OG1 3.36Å; T269-T272 HydrophobicContact CG2-CG2 4.25Å; T269-T272 PolarHBondContact O-N 3.41Å; T269-T272 PolarHBondContact O-OG1 2.97Å |
| 270 | P | 56.6 | Low | 82.1 | Confident | 116 Ų | 116 | 30.7 Ų | 30.7 | 75% | 0.753 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 131 | 176.6 | -28.3 | 34.9 | 0 | 0 | 0 | 112.2 | T272 | P270-T272 VanDerWaalsContact C-N 3.31Š|
| 271 | G | 65.4 | Low | 81.1 | Confident | 44 Ų | 44 | 34.2 Ų | 34.2 | 45% | 0.454 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 2.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T269 Y273 | T269-G271 PolarHBondContact O-N 2.7Å; G271-Y273 WeakPolarHBondContact O-CE2 3.45Å |
| 272 | T | 80.9 | Confident | 79.4 | Confident | 37 Ų | 37 | 37.7 Ų | 37.7 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | trans | -109.6 | 158.1 | 172 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | S267 T269 P270 | S267-T272 VanDerWaalsContact CB-O 3.26Å; S267-T272 WeakPolarHBondContact CB-O 3.44Å; S267-T272 WeakPolarHBondContact CB-OG1 3.41Å; S267-T272 PolarHBondContact N-O 2.71Å; T269-T272 WeakPolarHBondContact CB-OG1 3.36Å; T269-T272 HydrophobicContact CG2-CG2 4.25Å; T269-T272 PolarHBondContact O-N 3.41Å; T269-T272 PolarHBondContact O-OG1 2.97Å; P270-T272 VanDerWaalsContact C-N 3.31Å | ||
| 273 | Y | 89.3 | Confident | 77.4 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 152.7 | -171.7 | -56.2 | -84.7 | 0 | 0 | 0 | 111.4 | L234 Y240 R265 D266 S267 G271 I295 I316 | L234-Y273 HydrophobicContact CD1-CD1 3.73Å; L234-Y273 HydrophobicContact CD1-CE1 3.36Å; L234-Y273 HydrophobicContact CD1-CE2 4.29Å; L234-Y273 HydrophobicContact CD1-CG 4.31Å; Y240-Y273 AromaticContact CE2-CD1 3.97Å; Y240-Y273 HydrophobicContact CE2-CD1 3.97Å; Y240-Y273 HydrophobicContact CE2-CE1 4.04Å; R265-Y273 WeakPolarHBondContact O-CA 3.37Å; D266-Y273 WeakPolarHBondContact OD1-CD1 3.46Å; D266-Y273 VanDerWaalsContact OD1-CE1 3.26Å; D266-Y273 WeakPolarHBondContact OD1-CE1 3.26Å; S267-Y273 WeakPolarHBondContact OG-CA 3.41Å; S267-Y273 PolarHBondContact OG-N 3.39Å; S267-Y273 PolarHBondContact OG-O 2.76Å; S267-Y273 VanDerWaalsContact OG-O 3.09Å; G271-Y273 WeakPolarHBondContact O-CE2 3.45Å; Y273-I295 WeakPolarHBondContact O-CB 3.45Å; Y273-I295 PolarHBondContact O-N 3.25Å; Y273-I316 HydrophobicContact CD1-CD1 4.43Å; Y273-I316 HydrophobicContact CD2-CD1 3.13Å; Y273-I316 HydrophobicContact CE2-CD1 3.41Å; Y273-I316 VanDerWaalsContact CE2-CD1 3.41Å; Y273-I316 HydrophobicContact CG-CD1 3.68Å |
| 274 | T | 89.9 | Confident | 75.2 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.1 | 178.3 | -70 | 0 | 0 | 0 | 0 | 110.7 | V264 R265 S267 H292 Y293 | V264-T274 WeakPolarHBondContact CA-O 3.11Å; R265-T274 PolarHBondContact N-O 3.18Å; R265-T274 PolarHBondContact O-N 3.14Å; S267-T274 PolarHBondContact OG-N 3.24Å; S267-T274 PolarHBondContact OG-OG1 3.04Å; T274-H292 HydrophobicContact CG2-CB 3.97Å; T274-Y293 CarbonylContact C-O 3.48Å; T274-Y293 WeakPolarHBondContact CA-O 3.28Å |
| 275 | V | 92.9 | Very high | 73.1 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.6 | 167.9 | -168.1 | 0 | 0 | 0 | 0 | 109 | F262 M263 V264 V277 H292 Y293 I295 V307 I320 L334 | F262-V275 HydrophobicContact CD2-CG1 4.47Å; M263-V275 WeakPolarHBondContact O-CA 3.47Å; V264-V275 HydrophobicContact CG2-CG2 4.22Å; V275-V277 HydrophobicContact CG1-CG2 3.78Å; V275-H292 CarbonylContact O-C 3.51Å; V275-H292 WeakPolarHBondContact O-CA 3.44Å; V275-Y293 PolarHBondContact N-O 3.15Å; V275-Y293 PolarHBondContact O-N 2.92Å; V275-I295 HydrophobicContact CG2-CD1 3.66Å; V275-I295 HydrophobicContact CG2-CG1 3.77Å; V275-V307 HydrophobicContact CG2-CG2 4.35Å; V275-I320 HydrophobicContact CG1-CD1 4.34Å; V275-I320 HydrophobicContact CG2-CD1 3.84Å; V275-L334 HydrophobicContact CG1-CD1 4.36Å; V275-L334 HydrophobicContact CG1-CD2 4.16Å |
| 276 | S | 92.2 | Very high | 71.1 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.1 | 175.9 | -48.3 | 0 | 0 | 0 | 0 | 108.9 | F262 M263 R265 K291 H292 | F262-S276 CarbonylContact C-O 3.5Å; F262-S276 WeakPolarHBondContact CA-O 3.47Å; F262-S276 WeakPolarHBondContact CB-O 3.34Å; M263-S276 PolarHBondContact N-O 3.27Å; M263-S276 PolarHBondContact O-N 3.14Å; R265-S276 PolarHBondContact NE-OG 3.33Å; S276-K291 CarbonylContact C-O 3.56Å; S276-K291 WeakPolarHBondContact CA-O 3.39Å; S276-H292 PolarHBondContact OG-ND1 3.39Å |
| 277 | V | 92.6 | Very high | 69.4 | Low | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.5 | -170.4 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | A261 F262 V275 I290 K291 Y293 T332 L334 | A261-V277 CarbonylContact O-C 3.59Å; A261-V277 WeakPolarHBondContact O-CA 3.16Å; F262-V277 HydrophobicContact CB-CG1 4.48Å; F262-V277 HydrophobicContact CB-CG2 4.13Å; V275-V277 HydrophobicContact CG1-CG2 3.78Å; V277-I290 CarbonylContact O-C 3.58Å; V277-I290 VanDerWaalsContact O-CA 3.31Å; V277-I290 WeakPolarHBondContact O-CA 3.44Å; V277-K291 PolarHBondContact N-O 3.25Å; V277-K291 PolarHBondContact O-N 3.17Å; V277-Y293 HydrophobicContact CG2-CD2 4.22Å; V277-Y293 HydrophobicContact CG2-CE2 4.27Å; V277-T332 HydrophobicContact CG1-CG2 3.66Å; V277-L334 HydrophobicContact CB-CD2 4.47Å; V277-L334 HydrophobicContact CG1-CD2 4.12Å; V277-L334 HydrophobicContact CG2-CD2 3.48Å; V277-L334 VanDerWaalsContact CG2-CD2 3.48Å |
| 278 | F | 90.9 | Very high | 68.4 | Low | 12 Ų | 12 | 70.8 Ų | 70.8 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.8 | 173.3 | -176.7 | -87.3 | 0 | 0 | 0 | 112.1 | L253 W254 K258 G260 A261 K280 C289 I290 | L253-F278 HydrophobicContact CB-CB 4.37Å; W254-F278 HydrophobicContact CD2-CE2 4.36Å; W254-F278 HydrophobicContact CE3-CD2 4.49Å; W254-F278 AromaticContact CE3-CE2 3.79Å; W254-F278 HydrophobicContact CE3-CE2 3.79Å; W254-F278 HydrophobicContact CZ3-CE2 4.19Å; K258-F278 WeakPolarHBondContact O-CD1 3.28Å; G260-F278 PolarHBondContact N-O 3.3Å; A261-F278 HydrophobicContact CB-CB 4.11Å; A261-F278 PolarHBondContact O-N 2.73Å; F278-K280 HydrophobicContact CE1-CD 4.47Å; F278-K280 HydrophobicContact CE1-CG 3.68Å; F278-K280 HydrophobicContact CZ-CG 4.36Å; F278-C289 CarbonylContact C-O 3.55Å; F278-C289 WeakPolarHBondContact CA-O 3.46Å; F278-C289 HydrophobicContact CD2-CB 4.22Å; F278-C289 HydrophobicContact CE2-CB 3.78Å; F278-C289 HydrophobicContact CZ-CB 4.12Å; F278-I290 HydrophobicContact CB-CG1 4.43Å; F278-I290 HydrophobicContact CD2-CD1 4.4Å; F278-I290 HydrophobicContact CD2-CG1 3.89Å |
| 279 | T | 85.5 | Confident | 69.4 | Low | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | trans | -145.5 | 137.6 | 178 | -176.6 | 0 | 0 | 0 | 0 | 112 | E259 A281 C289 K291 V331 | E259-T279 PolarHBondContact OE1-OG1 3.01Å; E259-T279 WeakPolarHBondContact OE2-CA 3.49Å; T279-A281 VanDerWaalsContact C-N 3.31Å; T279-A281 WeakPolarHBondContact OG1-CB 3.34Å; T279-A281 PolarHBondContact OG1-N 3.38Å; T279-C289 PolarHBondContact N-O 3.5Å; T279-C289 WeakPolarHBondContact O-CB 3.4Å; T279-C289 PolarHBondContact O-SG 3.01Å; T279-K291 HydrophobicContact CG2-CG 4.38Å; T279-V331 HydrophobicContact CG2-CB 4.4Å; T279-V331 HydrophobicContact CG2-CG1 3.77Å; T279-V331 HydrophobicContact CG2-CG2 3.75Å | ||
| 280 | K | 75.8 | Confident | 70.8 | Confident | 124 Ų | 124 | 63.3 Ų | 63.3 | 54% | 0.539 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -87.4 | 2.6 | 177.9 | -60.2 | -175.5 | 178.7 | -171.2 | 0 | 113.1 | G257 E259 F278 V282 | G257-K280 WeakPolarHBondContact O-CE 3.45Å; G257-K280 PolarHBondContact O-NZ 2.78Å; E259-K280 WeakPolarHBondContact OE2-CB 3.44Å; E259-K280 WeakPolarHBondContact OE2-CG 3.23Å; E259-K280 PolarHBondContact OE2-N 3.2Å; F278-K280 HydrophobicContact CE1-CD 4.47Å; F278-K280 HydrophobicContact CE1-CG 3.68Å; F278-K280 HydrophobicContact CZ-CG 4.36Å; K280-V282 PolarHBondContact O-N 3.31Å |
| 281 | A | 65.9 | Low | 72.2 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -79.5 | -8.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T279 | T279-A281 VanDerWaalsContact C-N 3.31Å; T279-A281 WeakPolarHBondContact OG1-CB 3.34Å; T279-A281 PolarHBondContact OG1-N 3.38Å |
| 282 | V | 56.3 | Low | 73.2 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | trans | -131.2 | 100.9 | -177.4 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | K280 | K280-V282 PolarHBondContact O-N 3.31Š| ||
| 283 | V | 51.3 | Low | 73.6 | Confident | 143 Ų | 143 | 62.1 Ų | 62.1 | 87% | 0.867 | 34% | 0.336 | S | S | * | . | trans | -104.1 | 93 | 163.8 | -173.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 284 | S | 47.8 | Very low | 73.6 | Confident | 81 Ų | 81 | 65.2 Ų | 65.2 | 57% | 0.566 | 35% | 0.352 | S | S | * | . | trans | -126.6 | 139.3 | 156.3 | 58.8 | 0 | 0 | 0 | 0 | 107.5 | N286 | S284-N286 PolarHBondContact O-N 2.78Š| ||
| 285 | E | 47.5 | Very low | 73.6 | Confident | 192 Ų | 192 | 65.4 Ų | 65.4 | 90% | 0.897 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 20.5 | -154.2 | -70.9 | 179.7 | 148.4 | 0 | 0 | 118.1 | ||
| 286 | N | 46.7 | Very low | 73.3 | Confident | 163 Ų | 163 | 70.2 Ų | 70.2 | 87% | 0.872 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.3 | 31.1 | 177.4 | -96.2 | -27.4 | 0 | 0 | 0 | 117.3 | S284 | S284-N286 PolarHBondContact O-N 2.78Š|
| 287 | N | 48.5 | Very low | 73.1 | Confident | 136 Ų | 136 | 72.8 Ų | 72.8 | 73% | 0.727 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -153.2 | 142.3 | 172.3 | -121.3 | -11.9 | 0 | 0 | 0 | 114.2 | ||
| 288 | P | 52.4 | Low | 72.6 | Confident | 54 Ų | 54 | 73.9 Ų | 73.9 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | trans | -69.4 | 150.3 | -170.2 | 26 | -30.9 | 0 | 0 | 0 | 114.3 | I290 | P288-I290 PolarHBondContact O-N 3.12Š| ||
| 289 | C | 74.1 | Confident | 72.1 | Confident | 20 Ų | 20 | 81.7 Ų | 81.7 | 14% | 0.135 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -69.4 | 23.2 | 176.6 | -91.6 | 0 | 0 | 0 | 0 | 114.8 | W254 F278 T279 | W254-C289 HydrophobicContact CE3-CB 4.45Å; W254-C289 HydrophobicContact CZ3-CB 3.76Å; F278-C289 CarbonylContact C-O 3.55Å; F278-C289 WeakPolarHBondContact CA-O 3.46Å; F278-C289 HydrophobicContact CD2-CB 4.22Å; F278-C289 HydrophobicContact CE2-CB 3.78Å; F278-C289 HydrophobicContact CZ-CB 4.12Å; T279-C289 PolarHBondContact N-O 3.5Å; T279-C289 WeakPolarHBondContact O-CB 3.4Å; T279-C289 PolarHBondContact O-SG 3.01Å |
| 290 | I | 84.3 | Confident | 71.8 | Confident | 10 Ų | 10 | 85.1 Ų | 85.1 | 5% | 0.051 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.9 | -177.7 | -62.9 | 133.8 | 0 | 0 | 0 | 110 | E250 L253 W254 V277 F278 P288 | E250-I290 HydrophobicContact CB-CD1 3.87Å; E250-I290 HydrophobicContact CG-CB 4.26Å; E250-I290 HydrophobicContact CG-CD1 4.09Å; E250-I290 HydrophobicContact CG-CG2 4.02Å; E250-I290 VanDerWaalsContact O-CD1 3.23Å; E250-I290 WeakPolarHBondContact O-CD1 3.4Å; L253-I290 HydrophobicContact CB-CD1 4.35Å; L253-I290 HydrophobicContact CB-CG1 4.14Å; L253-I290 HydrophobicContact CD1-CG2 3.82Å; W254-I290 HydrophobicContact CB-CD1 4.35Å; W254-I290 HydrophobicContact CE3-CD1 4.09Å; V277-I290 CarbonylContact O-C 3.58Å; V277-I290 VanDerWaalsContact O-CA 3.31Å; V277-I290 WeakPolarHBondContact O-CA 3.44Å; F278-I290 HydrophobicContact CB-CG1 4.43Å; F278-I290 HydrophobicContact CD2-CD1 4.4Å; F278-I290 HydrophobicContact CD2-CG1 3.89Å; P288-I290 PolarHBondContact O-N 3.12Å |
| 291 | K | 86.1 | Confident | 71.6 | Confident | 85 Ų | 85 | 87 Ų | 87 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.1 | 178.3 | -63.4 | -58.8 | -176.9 | -170 | 0 | 110.4 | S276 V277 T279 Y293 V331 | S276-K291 CarbonylContact C-O 3.56Å; S276-K291 WeakPolarHBondContact CA-O 3.39Å; V277-K291 PolarHBondContact N-O 3.25Å; V277-K291 PolarHBondContact O-N 3.17Å; T279-K291 HydrophobicContact CG2-CG 4.38Å; K291-Y293 HydrophobicContact CB-CD2 4.38Å; K291-Y293 HydrophobicContact CB-CE2 3.55Å; K291-V331 HydrophobicContact CB-CG1 4.17Å; K291-V331 HydrophobicContact CG-CB 4.3Å; K291-V331 HydrophobicContact CG-CG1 3.88Å |
| 292 | H | 87.4 | Confident | 72 | Confident | 39 Ų | 39 | 88.1 Ų | 88.1 | 18% | 0.181 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.9 | 179.6 | -60.7 | -88.9 | 0 | 0 | 0 | 109.7 | R246 E250 R265 T274 V275 S276 | R246-H292 PolarHBondContact NE-NE2 2.65Å; E250-H292 IonicContact OE1-CD2 3.95Å; E250-H292 IonicContact OE1-CE1 3.01Å; E250-H292 IonicContact OE1-NE2 3.45Å; E250-H292 PolarHBondContact OE1-NE2 3.03Å; R265-H292 PolarHBondContact NH2-ND1 2.92Å; T274-H292 HydrophobicContact CG2-CB 3.97Å; V275-H292 CarbonylContact O-C 3.51Å; V275-H292 WeakPolarHBondContact O-CA 3.44Å; S276-H292 PolarHBondContact OG-ND1 3.39Å |
| 293 | Y | 88.9 | Confident | 73.3 | Confident | 48 Ų | 48 | 90 Ų | 90 | 19% | 0.188 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.9 | -178.5 | -62.4 | -87.4 | 0 | 0 | 0 | 110.2 | T274 V275 V277 K291 I295 V307 L330 V331 | T274-Y293 CarbonylContact C-O 3.48Å; T274-Y293 WeakPolarHBondContact CA-O 3.28Å; V275-Y293 PolarHBondContact N-O 3.15Å; V275-Y293 PolarHBondContact O-N 2.92Å; V277-Y293 HydrophobicContact CG2-CD2 4.22Å; V277-Y293 HydrophobicContact CG2-CE2 4.27Å; K291-Y293 HydrophobicContact CB-CD2 4.38Å; K291-Y293 HydrophobicContact CB-CE2 3.55Å; Y293-I295 PolarHBondContact O-N 2.85Å; Y293-V307 HydrophobicContact CD1-CG1 3.82Å; Y293-V307 HydrophobicContact CG-CG1 3.98Å; Y293-L330 HydrophobicContact CD1-CD2 3.67Å; Y293-L330 HydrophobicContact CD2-CD2 3.65Å; Y293-L330 HydrophobicContact CE1-CD2 3.8Å; Y293-L330 HydrophobicContact CE2-CD2 3.77Å; Y293-L330 HydrophobicContact CG-CD2 3.59Å; Y293-V331 HydrophobicContact CE2-CG1 4.47Å; Y293-V331 WeakPolarHBondContact OH-CB 3.14Å; Y293-V331 PolarHBondContact OH-N 3.26Å |
| 294 | H | 88.6 | Confident | 75 | Confident | 111 Ų | 111 | 87.7 Ų | 87.7 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 129.4 | 175.4 | -64.6 | 86.7 | 0 | 0 | 0 | 110 | K296 | H294-K296 PolarHBondContact O-N 3.13Å |
| 295 | I | 90.3 | Very high | 76.9 | Confident | 5 Ų | 5 | 85.9 Ų | 85.9 | 3% | 0.026 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 112.9 | 168.4 | -61.5 | 168.1 | 0 | 0 | 0 | 106.6 | V264 Y273 V275 Y293 Y305 V307 I316 L319 | V264-I295 HydrophobicContact CG1-CD1 4.07Å; Y273-I295 WeakPolarHBondContact O-CB 3.45Å; Y273-I295 PolarHBondContact O-N 3.25Å; V275-I295 HydrophobicContact CG2-CD1 3.66Å; V275-I295 HydrophobicContact CG2-CG1 3.77Å; Y293-I295 PolarHBondContact O-N 2.85Å; I295-Y305 HydrophobicContact CG2-CD1 3.95Å; I295-Y305 HydrophobicContact CG2-CG 4.35Å; I295-V307 HydrophobicContact CG1-CG2 3.97Å; I295-I316 HydrophobicContact CD1-CG1 4.47Å; I295-I316 HydrophobicContact CD1-CG2 3.9Å; I295-I316 HydrophobicContact CG2-CG1 4.25Å; I295-L319 HydrophobicContact CG2-CD1 4.11Å |
| 296 | K | 86.7 | Confident | 78.8 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 44% | 0.443 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 149.2 | 178.3 | -65.7 | -177.2 | 179.4 | -178.1 | 0 | 110.4 | H294 Y305 Y306 | H294-K296 PolarHBondContact O-N 3.13Å; K296-Y305 CarbonylContact O-C 3.53Å; K296-Y305 VanDerWaalsContact O-CA 3.32Å; K296-Y305 WeakPolarHBondContact O-CA 3.09Å; K296-Y306 HydrophobicContact CB-CD1 4.1Å; K296-Y306 HydrophobicContact CB-CD2 4.22Å; K296-Y306 HydrophobicContact CB-CE1 3.59Å; K296-Y306 HydrophobicContact CB-CE2 3.74Å; K296-Y306 HydrophobicContact CB-CG 4.39Å; K296-Y306 HydrophobicContact CD-CE2 3.63Å; K296-Y306 WeakPolarHBondContact CD-OH 3.35Å; K296-Y306 HydrophobicContact CG-CE2 4.25Å; K296-Y306 PolarHBondContact N-O 3.27Å; K296-Y306 WeakPolarHBondContact O-CD1 3.35Å; K296-Y306 PolarHBondContact O-N 3.32Å |
| 297 | E | 87.4 | Confident | 80.6 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 146.9 | 173.8 | -57.9 | -173.1 | 166.3 | 0 | 0 | 110.5 | K303 R304 Y305 | E297-K303 WeakPolarHBondContact OE2-CD 3.46Å; E297-K303 WeakPolarHBondContact OE2-CE 3.46Å; E297-K303 IonicContact OE2-NZ 3.71Å; E297-K303 PolarHBondContact OE2-NZ 2.86Å; E297-R304 CarbonylContact C-O 3.54Å; E297-R304 VanDerWaalsContact CA-O 3.31Å; E297-R304 WeakPolarHBondContact CA-O 3.14Å; E297-Y305 HydrophobicContact CG-CD1 3.94Å; E297-Y305 HydrophobicContact CG-CE1 3.78Å |
| 298 | T | 83.4 | Confident | 82 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 153.6 | 167 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | D300 R304 Y306 V312 | T298-D300 WeakPolarHBondContact CB-OD2 3.21Å; T298-D300 PolarHBondContact O-N 3.16Å; T298-D300 VanDerWaalsContact O-N 3.14Å; T298-D300 PolarHBondContact OG1-OD2 2.85Å; T298-R304 HydrophobicContact CG2-CB 4.29Å; T298-R304 PolarHBondContact N-O 3.47Å; T298-R304 PolarHBondContact OG1-N 3.14Å; T298-Y306 HydrophobicContact CG2-CD1 3.88Å; T298-Y306 HydrophobicContact CG2-CE1 3.89Å; T298-V312 HydrophobicContact CG2-CG1 3.87Å |
| 299 | N | 80.6 | Confident | 82.9 | Confident | 177 Ų | 177 | 71 Ų | 71 | 95% | 0.947 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -77.3 | 12.8 | 175.4 | -65.3 | -21.8 | 0 | 0 | 0 | 113.1 | ||
| 300 | D | 78.6 | Confident | 83 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 39% | 0.39 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -79.5 | 160.1 | 179.5 | -54.3 | -47.1 | 0 | 0 | 0 | 110.8 | T298 P302 K303 R304 | T298-D300 WeakPolarHBondContact CB-OD2 3.21Å; T298-D300 PolarHBondContact O-N 3.16Å; T298-D300 VanDerWaalsContact O-N 3.14Å; T298-D300 PolarHBondContact OG1-OD2 2.85Å; D300-P302 CarbonylContact C-O 3.53Å; D300-P302 CarbonylContact O-C 3.57Å; D300-P302 VanDerWaalsContact O-C 3.27Å; D300-K303 WeakPolarHBondContact O-CA 3.38Å; D300-K303 PolarHBondContact O-N 3.49Å; D300-R304 IonicContact OD2-CZ 3.49Å; D300-R304 IonicContact OD2-NE 2.74Å; D300-R304 PolarHBondContact OD2-NE 2.98Å; D300-R304 IonicContact OD2-NH2 3.79Å; D300-R304 PolarHBondContact OD2-NH2 2.91Å |
| 301 | N | 70.1 | Confident | 82.9 | Confident | 162 Ų | 162 | 80.8 Ų | 80.8 | 87% | 0.866 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -123.5 | 111.8 | 170.3 | -161.7 | 4 | 0 | 0 | 0 | 109.4 | ||
| 302 | P | 75.9 | Confident | 82.9 | Confident | 100 Ų | 100 | 79.5 Ų | 79.5 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | S | Bend | cis | -70.1 | 151.9 | 5.1 | 29.7 | -35.2 | 0 | 0 | 0 | 113.6 | D300 | D300-P302 CarbonylContact C-O 3.53Å; D300-P302 CarbonylContact O-C 3.57Å; D300-P302 VanDerWaalsContact O-C 3.27Å |
| 303 | K | 82.5 | Confident | 82.8 | Confident | 112 Ų | 112 | 79 Ų | 79 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | trans | -61.5 | 141.4 | 176.6 | -67.4 | 179.9 | 168.9 | -162 | 0 | 110.6 | E297 D300 | E297-K303 WeakPolarHBondContact OE2-CD 3.46Å; E297-K303 WeakPolarHBondContact OE2-CE 3.46Å; E297-K303 IonicContact OE2-NZ 3.71Å; E297-K303 PolarHBondContact OE2-NZ 2.86Å; D300-K303 WeakPolarHBondContact O-CA 3.38Å; D300-K303 PolarHBondContact O-N 3.49Å | ||
| 304 | R | 86.4 | Confident | 82.6 | Confident | 94 Ų | 94 | 82 Ų | 82 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | trans | -125 | 155.2 | 174.7 | -62.6 | -177.3 | -74.2 | 173.4 | -4.3 | 110.9 | E297 T298 D300 V312 F313 D314 | E297-R304 CarbonylContact C-O 3.54Å; E297-R304 VanDerWaalsContact CA-O 3.31Å; E297-R304 WeakPolarHBondContact CA-O 3.14Å; T298-R304 HydrophobicContact CG2-CB 4.29Å; T298-R304 PolarHBondContact N-O 3.47Å; T298-R304 PolarHBondContact OG1-N 3.14Å; D300-R304 IonicContact OD2-CZ 3.49Å; D300-R304 IonicContact OD2-NE 2.74Å; D300-R304 PolarHBondContact OD2-NE 2.98Å; D300-R304 IonicContact OD2-NH2 3.79Å; D300-R304 PolarHBondContact OD2-NH2 2.91Å; R304-V312 HydrophobicContact CB-CG1 3.43Å; R304-V312 VanDerWaalsContact CB-CG1 3.43Å; R304-V312 HydrophobicContact CG-CG1 4.38Å; R304-F313 CarbonylContact C-O 3.51Å; R304-F313 WeakPolarHBondContact CA-O 3.46Å; R304-F313 WeakPolarHBondContact CB-O 3.41Å; R304-D314 VanDerWaalsContact CD-OD1 3.31Å; R304-D314 WeakPolarHBondContact CD-OD1 3.38Å | ||
| 305 | Y | 88.1 | Confident | 82.4 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 17% | 0.173 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.1 | -170.1 | -57 | -87 | 0 | 0 | 0 | 111.8 | I295 K296 E297 F313 I316 | I295-Y305 HydrophobicContact CG2-CD1 3.95Å; I295-Y305 HydrophobicContact CG2-CG 4.35Å; K296-Y305 CarbonylContact O-C 3.53Å; K296-Y305 VanDerWaalsContact O-CA 3.32Å; K296-Y305 WeakPolarHBondContact O-CA 3.09Å; E297-Y305 HydrophobicContact CG-CD1 3.94Å; E297-Y305 HydrophobicContact CG-CE1 3.78Å; Y305-F313 PolarHBondContact N-O 3.37Å; Y305-F313 PolarHBondContact O-N 3.11Å; Y305-I316 HydrophobicContact CD1-CD1 4.11Å; Y305-I316 HydrophobicContact CD1-CG1 3.81Å; Y305-I316 HydrophobicContact CD2-CG1 4.22Å; Y305-I316 HydrophobicContact CE1-CD1 4.11Å; Y305-I316 HydrophobicContact CE1-CG1 4.17Å; Y305-I316 HydrophobicContact CG-CG1 3.83Å |
| 306 | Y | 87.4 | Confident | 82.4 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 13% | 0.129 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 153.3 | 175.8 | 67.2 | -82.9 | 0 | 0 | 0 | 112.3 | K296 T298 E309 F311 V312 | K296-Y306 HydrophobicContact CB-CD1 4.1Å; K296-Y306 HydrophobicContact CB-CD2 4.22Å; K296-Y306 HydrophobicContact CB-CE1 3.59Å; K296-Y306 HydrophobicContact CB-CE2 3.74Å; K296-Y306 HydrophobicContact CB-CG 4.39Å; K296-Y306 HydrophobicContact CD-CE2 3.63Å; K296-Y306 WeakPolarHBondContact CD-OH 3.35Å; K296-Y306 HydrophobicContact CG-CE2 4.25Å; K296-Y306 PolarHBondContact N-O 3.27Å; K296-Y306 WeakPolarHBondContact O-CD1 3.35Å; K296-Y306 PolarHBondContact O-N 3.32Å; T298-Y306 HydrophobicContact CG2-CD1 3.88Å; T298-Y306 HydrophobicContact CG2-CE1 3.89Å; Y306-E309 HydrophobicContact CD2-CB 4.47Å; Y306-E309 HydrophobicContact CD2-CG 4.06Å; Y306-E309 HydrophobicContact CE2-CB 4.27Å; Y306-E309 HydrophobicContact CE2-CG 3.42Å; Y306-E309 VanDerWaalsContact CE2-CG 3.42Å; Y306-F311 WeakPolarHBondContact CB-O 3.37Å; Y306-V312 HydrophobicContact CD1-CG2 4.44Å; Y306-V312 HydrophobicContact CG-CG2 4.39Å |
| 307 | V | 84.5 | Confident | 82.5 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -103.9 | -39.3 | 167.1 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | V275 Y293 I295 L319 L330 | V275-V307 HydrophobicContact CG2-CG2 4.35Å; Y293-V307 HydrophobicContact CD1-CG1 3.82Å; Y293-V307 HydrophobicContact CG-CG1 3.98Å; I295-V307 HydrophobicContact CG1-CG2 3.97Å; V307-L319 HydrophobicContact CG2-CD1 4.19Å; V307-L319 HydrophobicContact CG2-CD2 4Å; V307-L330 HydrophobicContact CG1-CD2 3.65Å |
| 308 | A | 77.5 | Confident | 82.4 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 22% | 0.223 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -116.2 | 129.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | K310 F311 | A308-K310 PolarHBondContact O-N 3.09Å; A308-F311 HydrophobicContact CB-CD2 4.4Å; A308-F311 PolarHBondContact O-N 3.24Å |
| 309 | E | 73 | Confident | 82.7 | Confident | 147 Ų | 147 | 73.9 Ų | 73.9 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -21.9 | -173 | -70.6 | 175.1 | -168.2 | 0 | 0 | 114.2 | Y306 F311 | Y306-E309 HydrophobicContact CD2-CB 4.47Å; Y306-E309 HydrophobicContact CD2-CG 4.06Å; Y306-E309 HydrophobicContact CE2-CB 4.27Å; Y306-E309 HydrophobicContact CE2-CG 3.42Å; Y306-E309 VanDerWaalsContact CE2-CG 3.42Å; E309-F311 VanDerWaalsContact C-N 3.3Å; E309-F311 PolarHBondContact O-N 3.29Å |
| 310 | K | 75.1 | Confident | 83.2 | Confident | 179 Ų | 179 | 65.5 Ų | 65.5 | 78% | 0.778 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -21.3 | 176.6 | -166.2 | 174.9 | -178.2 | 178.6 | 0 | 113.8 | A308 | A308-K310 PolarHBondContact O-N 3.09Š|
| 311 | F | 82.3 | Confident | 83.6 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | trans | -129.7 | 102 | -173.6 | -56.1 | -71.7 | 0 | 0 | 0 | 110.7 | Y306 A308 E309 F313 Y322 G328 | Y306-F311 WeakPolarHBondContact CB-O 3.37Å; A308-F311 HydrophobicContact CB-CD2 4.4Å; A308-F311 PolarHBondContact O-N 3.24Å; E309-F311 VanDerWaalsContact C-N 3.3Å; E309-F311 PolarHBondContact O-N 3.29Å; F311-F313 HydrophobicContact CB-CE2 3.8Å; F311-F313 HydrophobicContact CB-CZ 3.83Å; F311-F313 WeakPolarHBondContact O-CE2 3.17Å; F311-Y322 HydrophobicContact CB-CE1 4.48Å; F311-Y322 HydrophobicContact CD1-CE1 4.13Å; F311-Y322 AromaticContact CD1-CZ 3.87Å; F311-Y322 HydrophobicContact CD2-CE1 4.47Å; F311-Y322 HydrophobicContact CE1-CE1 4.5Å; F311-Y322 AromaticContact CE1-CZ 3.98Å; F311-Y322 WeakPolarHBondContact CE1-OH 3.5Å; F311-Y322 HydrophobicContact CG-CE1 4.12Å; F311-G328 VanDerWaalsContact CD2-O 3.28Å; F311-G328 WeakPolarHBondContact CD2-O 3.39Å; F311-G328 WeakPolarHBondContact CE2-O 3.37Å | ||
| 312 | V | 85.8 | Confident | 84.5 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 35% | 0.352 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.1 | -176.3 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | T298 R304 Y306 | T298-V312 HydrophobicContact CG2-CG1 3.87Å; R304-V312 HydrophobicContact CB-CG1 3.43Å; R304-V312 VanDerWaalsContact CB-CG1 3.43Å; R304-V312 HydrophobicContact CG-CG1 4.38Å; Y306-V312 HydrophobicContact CD1-CG2 4.44Å; Y306-V312 HydrophobicContact CG-CG2 4.39Å |
| 313 | F | 86.1 | Confident | 85.1 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 13% | 0.127 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.2 | -171.7 | -55.2 | -82.6 | 0 | 0 | 0 | 111.9 | R304 Y305 F311 S315 L318 L319 Y322 | R304-F313 CarbonylContact C-O 3.51Å; R304-F313 WeakPolarHBondContact CA-O 3.46Å; R304-F313 WeakPolarHBondContact CB-O 3.41Å; Y305-F313 PolarHBondContact N-O 3.37Å; Y305-F313 PolarHBondContact O-N 3.11Å; F311-F313 HydrophobicContact CB-CE2 3.8Å; F311-F313 HydrophobicContact CB-CZ 3.83Å; F311-F313 WeakPolarHBondContact O-CE2 3.17Å; F313-S315 VanDerWaalsContact C-N 3.29Å; F313-S315 PolarHBondContact O-N 2.79Å; F313-L318 HydrophobicContact CB-CB 4.26Å; F313-L318 HydrophobicContact CD1-CB 4.48Å; F313-L319 HydrophobicContact CB-CB 4.04Å; F313-L319 HydrophobicContact CD2-CB 3.5Å; F313-L319 HydrophobicContact CD2-CD1 3.91Å; F313-L319 HydrophobicContact CD2-CG 3.61Å; F313-L319 HydrophobicContact CE2-CB 4.15Å; F313-L319 HydrophobicContact CE2-CD1 4.47Å; F313-L319 HydrophobicContact CE2-CG 3.93Å; F313-L319 HydrophobicContact CG-CB 3.85Å; F313-L319 HydrophobicContact CG-CG 4.45Å; F313-Y322 VanDerWaalsContact CE1-CB 3.44Å; F313-Y322 HydrophobicContact CE1-CD1 4.13Å; F313-Y322 HydrophobicContact CE1-CD2 4Å; F313-Y322 AromaticContact CE1-CG 3.59Å; F313-Y322 HydrophobicContact CE1-CG 3.59Å; F313-Y322 HydrophobicContact CE2-CD1 4.3Å; F313-Y322 AromaticContact CZ-CD1 3.41Å; F313-Y322 HydrophobicContact CZ-CD1 3.41Å; F313-Y322 VanDerWaalsContact CZ-CD1 3.41Å; F313-Y322 HydrophobicContact CZ-CD2 4.07Å; F313-Y322 HydrophobicContact CZ-CE1 4.12Å; F313-Y322 AromaticContact CZ-CG 3.37Å; F313-Y322 HydrophobicContact CZ-CG 3.37Å |
| 314 | D | 84.1 | Confident | 85.3 | Confident | 110 Ų | 110 | 52.1 Ų | 52.1 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -76.4 | -17.1 | -177.9 | -54.6 | -40.8 | 0 | 0 | 0 | 113 | R304 L318 | R304-D314 VanDerWaalsContact CD-OD1 3.31Å; R304-D314 WeakPolarHBondContact CD-OD1 3.38Å; D314-L318 HydrophobicContact CB-CD1 4.32Å |
| 315 | S | 85.6 | Confident | 85.1 | Confident | 18 Ų | 18 | 52.3 Ų | 52.3 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -150.5 | 157.7 | 175.6 | 73.7 | 0 | 0 | 0 | 0 | 112 | F313 L318 L319 | F313-S315 VanDerWaalsContact C-N 3.29Å; F313-S315 PolarHBondContact O-N 2.79Å; S315-L318 PolarHBondContact O-N 2.94Å; S315-L318 WeakPolarHBondContact OG-CG 3.43Å; S315-L318 PolarHBondContact OG-N 3.37Å; S315-L319 PolarHBondContact O-N 2.75Å; S315-L319 VanDerWaalsContact O-N 3.1Å |
| 316 | I | 88.6 | Confident | 84.9 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 176.4 | -64 | 171 | 0 | 0 | 0 | 111.9 | L234 W239 Y273 I295 Y305 L318 L319 I320 | L234-I316 HydrophobicContact CD1-CD1 3.89Å; L234-I316 HydrophobicContact CD1-CG2 4.5Å; L234-I316 HydrophobicContact CD2-CB 3.92Å; L234-I316 HydrophobicContact CD2-CD1 4.47Å; L234-I316 HydrophobicContact CD2-CG2 4.12Å; W239-I316 HydrophobicContact CH2-CG2 3.97Å; W239-I316 HydrophobicContact CZ3-CG2 4.22Å; Y273-I316 HydrophobicContact CD1-CD1 4.43Å; Y273-I316 HydrophobicContact CD2-CD1 3.13Å; Y273-I316 HydrophobicContact CE2-CD1 3.41Å; Y273-I316 VanDerWaalsContact CE2-CD1 3.41Å; Y273-I316 HydrophobicContact CG-CD1 3.68Å; I295-I316 HydrophobicContact CD1-CG1 4.47Å; I295-I316 HydrophobicContact CD1-CG2 3.9Å; I295-I316 HydrophobicContact CG2-CG1 4.25Å; Y305-I316 HydrophobicContact CD1-CD1 4.11Å; Y305-I316 HydrophobicContact CD1-CG1 3.81Å; Y305-I316 HydrophobicContact CD2-CG1 4.22Å; Y305-I316 HydrophobicContact CE1-CD1 4.11Å; Y305-I316 HydrophobicContact CE1-CG1 4.17Å; Y305-I316 HydrophobicContact CG-CG1 3.83Å; I316-L318 VanDerWaalsContact C-N 3.3Å; I316-L318 PolarHBondContact O-N 3.01Å; I316-L319 WeakPolarHBondContact O-CB 3.49Å; I316-L319 PolarHBondContact O-N 3.23Å; I316-L319 VanDerWaalsContact O-N 3.11Å; I316-I320 HydrophobicContact CG2-CG1 4.19Å; I316-I320 WeakPolarHBondContact O-CG1 3.46Å; I316-I320 PolarHBondContact O-N 3.33Å |
| 317 | P | 88.6 | Confident | 84.2 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 174.1 | -29 | 37.7 | 0 | 0 | 0 | 113.8 | L234 Y237 W239 I320 N321 | L234-P317 HydrophobicContact CD2-CG 4.12Å; Y237-P317 HydrophobicContact CD2-CG 4.11Å; Y237-P317 HydrophobicContact CE1-CB 3.9Å; Y237-P317 HydrophobicContact CE1-CG 4.23Å; Y237-P317 HydrophobicContact CE2-CB 3.92Å; Y237-P317 HydrophobicContact CE2-CG 3.3Å; Y237-P317 VanDerWaalsContact CZ-CB 3.46Å; Y237-P317 WeakPolarHBondContact OH-CB 3.23Å; Y237-P317 WeakPolarHBondContact OH-CG 3.36Å; W239-P317 HydrophobicContact CH2-CG 4.42Å; W239-P317 HydrophobicContact CZ2-CB 4.36Å; W239-P317 HydrophobicContact CZ2-CG 4.4Å; P317-I320 PolarHBondContact O-N 3.49Å; P317-N321 VanDerWaalsContact O-CB 3.31Å; P317-N321 WeakPolarHBondContact O-CB 3.39Å; P317-N321 PolarHBondContact O-N 2.84Å |
| 318 | L | 85.6 | Confident | 83.7 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 175.7 | -70.8 | 174.4 | 0 | 0 | 0 | 111.9 | F313 D314 S315 I316 Y322 | F313-L318 HydrophobicContact CB-CB 4.26Å; F313-L318 HydrophobicContact CD1-CB 4.48Å; D314-L318 HydrophobicContact CB-CD1 4.32Å; S315-L318 PolarHBondContact O-N 2.94Å; S315-L318 WeakPolarHBondContact OG-CG 3.43Å; S315-L318 PolarHBondContact OG-N 3.37Å; I316-L318 VanDerWaalsContact C-N 3.3Å; I316-L318 PolarHBondContact O-N 3.01Å; L318-Y322 WeakPolarHBondContact O-CB 3.27Å; L318-Y322 PolarHBondContact O-N 2.92Å |
| 319 | L | 90.5 | Very high | 83.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 173.9 | -177.8 | 157.8 | 0 | 0 | 0 | 111.1 | I295 V307 F313 S315 I316 Y322 H323 | I295-L319 HydrophobicContact CG2-CD1 4.11Å; V307-L319 HydrophobicContact CG2-CD1 4.19Å; V307-L319 HydrophobicContact CG2-CD2 4Å; F313-L319 HydrophobicContact CB-CB 4.04Å; F313-L319 HydrophobicContact CD2-CB 3.5Å; F313-L319 HydrophobicContact CD2-CD1 3.91Å; F313-L319 HydrophobicContact CD2-CG 3.61Å; F313-L319 HydrophobicContact CE2-CB 4.15Å; F313-L319 HydrophobicContact CE2-CD1 4.47Å; F313-L319 HydrophobicContact CE2-CG 3.93Å; F313-L319 HydrophobicContact CG-CB 3.85Å; F313-L319 HydrophobicContact CG-CG 4.45Å; S315-L319 PolarHBondContact O-N 2.75Å; S315-L319 VanDerWaalsContact O-N 3.1Å; I316-L319 WeakPolarHBondContact O-CB 3.49Å; I316-L319 PolarHBondContact O-N 3.23Å; I316-L319 VanDerWaalsContact O-N 3.11Å; L319-Y322 PolarHBondContact O-N 3.17Å; L319-H323 PolarHBondContact O-CD2 3.24Å; L319-H323 VanDerWaalsContact O-CD2 3.22Å; L319-H323 PolarHBondContact O-N 3.35Å |
| 320 | I | 91.1 | Very high | 84 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | -179.9 | -63.6 | -59.2 | 0 | 0 | 0 | 110.7 | W239 F262 V264 V275 I316 P317 Y322 H323 Q324 L334 | W239-I320 HydrophobicContact CD2-CG1 4.44Å; W239-I320 HydrophobicContact CD2-CG2 4.09Å; W239-I320 HydrophobicContact CE3-CG1 4.33Å; W239-I320 HydrophobicContact CG-CG2 4.31Å; W239-I320 HydrophobicContact CH2-CB 4.48Å; W239-I320 HydrophobicContact CH2-CG1 3.93Å; W239-I320 HydrophobicContact CZ2-CB 4.1Å; W239-I320 HydrophobicContact CZ2-CG1 4.05Å; W239-I320 HydrophobicContact CZ2-CG2 4.25Å; W239-I320 HydrophobicContact CZ3-CG1 4.08Å; F262-I320 HydrophobicContact CE2-CG2 3.64Å; F262-I320 HydrophobicContact CZ-CG2 3.96Å; V264-I320 HydrophobicContact CG2-CD1 3.44Å; V264-I320 VanDerWaalsContact CG2-CD1 3.44Å; V264-I320 HydrophobicContact CG2-CG1 3.9Å; V275-I320 HydrophobicContact CG1-CD1 4.34Å; V275-I320 HydrophobicContact CG2-CD1 3.84Å; I316-I320 HydrophobicContact CG2-CG1 4.19Å; I316-I320 WeakPolarHBondContact O-CG1 3.46Å; I316-I320 PolarHBondContact O-N 3.33Å; P317-I320 PolarHBondContact O-N 3.49Å; I320-Y322 VanDerWaalsContact C-N 3.3Å; I320-Y322 PolarHBondContact O-N 3.41Å; I320-H323 CarbonylContact O-C 3.59Å; I320-H323 PolarHBondContact O-N 3.06Å; I320-H323 VanDerWaalsContact O-N 3.09Å; I320-Q324 HydrophobicContact CG2-CG 4.38Å; I320-Q324 WeakPolarHBondContact O-CG 3.45Å; I320-Q324 PolarHBondContact O-N 3.29Å; I320-L334 HydrophobicContact CD1-CD1 3.96Å; I320-L334 HydrophobicContact CG2-CD1 4.12Å |
| 321 | N | 87.4 | Confident | 84.5 | Confident | 58 Ų | 58 | 42 Ų | 42 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.3 | -41.7 | 176.9 | -177.6 | 39.2 | 0 | 0 | 0 | 112 | P317 H323 Q324 H325 | P317-N321 VanDerWaalsContact O-CB 3.31Å; P317-N321 WeakPolarHBondContact O-CB 3.39Å; P317-N321 PolarHBondContact O-N 2.84Å; N321-H323 PolarHBondContact O-N 3.36Å; N321-Q324 PolarHBondContact O-N 3.43Å; N321-H325 PolarHBondContact O-ND1 3.41Å; N321-H325 PolarHBondContact OD1-CE1 2.89Å; N321-H325 VanDerWaalsContact OD1-CE1 3.3Å; N321-H325 PolarHBondContact OD1-ND1 2.89Å |
| 322 | Y | 87.8 | Confident | 84.7 | Confident | 49 Ų | 49 | 40.1 Ų | 40.1 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 174.2 | 176.3 | -94.5 | 0 | 0 | 0 | 111.8 | F311 F313 L318 L319 I320 Q324 H325 N326 | F311-Y322 HydrophobicContact CB-CE1 4.48Å; F311-Y322 HydrophobicContact CD1-CE1 4.13Å; F311-Y322 AromaticContact CD1-CZ 3.87Å; F311-Y322 HydrophobicContact CD2-CE1 4.47Å; F311-Y322 HydrophobicContact CE1-CE1 4.5Å; F311-Y322 AromaticContact CE1-CZ 3.98Å; F311-Y322 WeakPolarHBondContact CE1-OH 3.5Å; F311-Y322 HydrophobicContact CG-CE1 4.12Å; F313-Y322 VanDerWaalsContact CE1-CB 3.44Å; F313-Y322 HydrophobicContact CE1-CD1 4.13Å; F313-Y322 HydrophobicContact CE1-CD2 4Å; F313-Y322 AromaticContact CE1-CG 3.59Å; F313-Y322 HydrophobicContact CE1-CG 3.59Å; F313-Y322 HydrophobicContact CE2-CD1 4.3Å; F313-Y322 AromaticContact CZ-CD1 3.41Å; F313-Y322 HydrophobicContact CZ-CD1 3.41Å; F313-Y322 VanDerWaalsContact CZ-CD1 3.41Å; F313-Y322 HydrophobicContact CZ-CD2 4.07Å; F313-Y322 HydrophobicContact CZ-CE1 4.12Å; F313-Y322 AromaticContact CZ-CG 3.37Å; F313-Y322 HydrophobicContact CZ-CG 3.37Å; L318-Y322 WeakPolarHBondContact O-CB 3.27Å; L318-Y322 PolarHBondContact O-N 2.92Å; L319-Y322 PolarHBondContact O-N 3.17Å; I320-Y322 VanDerWaalsContact C-N 3.3Å; I320-Y322 PolarHBondContact O-N 3.41Å; Y322-Q324 VanDerWaalsContact C-N 3.27Å; Y322-Q324 PolarHBondContact O-N 3.16Å; Y322-H325 PolarHBondContact O-N 3.36Å; Y322-H325 VanDerWaalsContact O-N 3.15Å; Y322-N326 HydrophobicContact CD1-CB 4.31Å; Y322-N326 HydrophobicContact CE1-CB 3.82Å; Y322-N326 HydrophobicContact CE2-CB 4.15Å; Y322-N326 WeakPolarHBondContact CE2-ND2 3.49Å; Y322-N326 WeakPolarHBondContact O-CB 3.29Å; Y322-N326 PolarHBondContact O-N 2.88Å; Y322-N326 PolarHBondContact O-ND2 3.39Å |
| 323 | H | 88.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.2 | -15 | -177.6 | -77.2 | -66.9 | 0 | 0 | 0 | 114.2 | L319 I320 N321 H325 N326 G327 G328 L330 L334 | L319-H323 PolarHBondContact O-CD2 3.24Å; L319-H323 VanDerWaalsContact O-CD2 3.22Å; L319-H323 PolarHBondContact O-N 3.35Å; I320-H323 CarbonylContact O-C 3.59Å; I320-H323 PolarHBondContact O-N 3.06Å; I320-H323 VanDerWaalsContact O-N 3.09Å; N321-H323 PolarHBondContact O-N 3.36Å; H323-H325 VanDerWaalsContact C-N 3.34Å; H323-N326 CarbonylContact C-O 3.53Å; H323-N326 VanDerWaalsContact CA-O 3.26Å; H323-N326 WeakPolarHBondContact CA-O 3.46Å; H323-N326 VanDerWaalsContact O-O 3.1Å; H323-G327 PolarHBondContact ND1-O 2.99Å; H323-G328 PolarHBondContact CE1-O 3.09Å; H323-L330 HydrophobicContact CB-CD1 3.7Å; H323-L330 WeakPolarHBondContact ND1-CD1 3.44Å; H323-L334 HydrophobicContact CB-CD1 3.58Å; H323-L334 HydrophobicContact CB-CG 3.89Å; H323-L334 PolarHBondContact O-N 3.07Å |
| 324 | Q | 87.1 | Confident | 85.1 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.6 | -35.7 | 167.3 | -75.9 | 175.1 | -33 | 0 | 0 | 112.3 | F262 I320 N321 Y322 L334 | F262-Q324 HydrophobicContact CE1-CG 4.48Å; F262-Q324 HydrophobicContact CZ-CG 4.26Å; I320-Q324 HydrophobicContact CG2-CG 4.38Å; I320-Q324 WeakPolarHBondContact O-CG 3.45Å; I320-Q324 PolarHBondContact O-N 3.29Å; N321-Q324 PolarHBondContact O-N 3.43Å; Y322-Q324 VanDerWaalsContact C-N 3.27Å; Y322-Q324 PolarHBondContact O-N 3.16Å; Q324-L334 WeakPolarHBondContact CA-O 3.45Å; Q324-L334 HydrophobicContact CB-CB 4.48Å; Q324-L334 HydrophobicContact CG-CB 3.82Å |
| 325 | H | 83.3 | Confident | 85.3 | Confident | 98 Ų | 98 | 41.1 Ų | 41.1 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -93.6 | -24.8 | -178.1 | -63.6 | 85.6 | 0 | 0 | 0 | 112.6 | N321 Y322 H323 | N321-H325 PolarHBondContact O-ND1 3.41Å; N321-H325 PolarHBondContact OD1-CE1 2.89Å; N321-H325 VanDerWaalsContact OD1-CE1 3.3Å; N321-H325 PolarHBondContact OD1-ND1 2.89Å; Y322-H325 PolarHBondContact O-N 3.36Å; Y322-H325 VanDerWaalsContact O-N 3.15Å; H323-H325 VanDerWaalsContact C-N 3.34Å |
| 326 | N | 82.8 | Confident | 85.5 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | trans | -134.6 | 137.1 | -171.1 | -52.7 | -86.7 | 0 | 0 | 0 | 111.3 | Y322 H323 G328 | Y322-N326 HydrophobicContact CD1-CB 4.31Å; Y322-N326 HydrophobicContact CE1-CB 3.82Å; Y322-N326 HydrophobicContact CE2-CB 4.15Å; Y322-N326 WeakPolarHBondContact CE2-ND2 3.49Å; Y322-N326 WeakPolarHBondContact O-CB 3.29Å; Y322-N326 PolarHBondContact O-N 2.88Å; Y322-N326 PolarHBondContact O-ND2 3.39Å; H323-N326 CarbonylContact C-O 3.53Å; H323-N326 VanDerWaalsContact CA-O 3.26Å; H323-N326 WeakPolarHBondContact CA-O 3.46Å; H323-N326 VanDerWaalsContact O-O 3.1Å; N326-G328 VanDerWaalsContact C-N 3.35Å; N326-G328 PolarHBondContact O-N 2.81Å | ||
| 327 | G | 72.8 | Confident | 85.5 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | trans | -60.9 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | H323 G329 L330 | H323-G327 PolarHBondContact ND1-O 2.99Å; G327-G329 PolarHBondContact O-N 2.73Å; G327-L330 VanDerWaalsContact O-CB 3.31Å; G327-L330 WeakPolarHBondContact O-CB 3.27Å; G327-L330 PolarHBondContact O-N 2.79Å | ||
| 328 | G | 73.5 | Confident | 85.4 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 19.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | F311 H323 N326 | F311-G328 VanDerWaalsContact CD2-O 3.28Å; F311-G328 WeakPolarHBondContact CD2-O 3.39Å; F311-G328 WeakPolarHBondContact CE2-O 3.37Å; H323-G328 PolarHBondContact CE1-O 3.09Å; N326-G328 VanDerWaalsContact C-N 3.35Å; N326-G328 PolarHBondContact O-N 2.81Å |
| 329 | G | 73.5 | Confident | 85.1 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 65% | 0.649 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 103.7 | -7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G327 | G327-G329 PolarHBondContact O-N 2.73Š|
| 330 | L | 85.2 | Confident | 83.9 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -79.3 | 158.5 | 168 | -56.4 | -178.7 | 0 | 0 | 0 | 111.3 | Y293 V307 H323 G327 T332 L334 | Y293-L330 HydrophobicContact CD1-CD2 3.67Å; Y293-L330 HydrophobicContact CD2-CD2 3.65Å; Y293-L330 HydrophobicContact CE1-CD2 3.8Å; Y293-L330 HydrophobicContact CE2-CD2 3.77Å; Y293-L330 HydrophobicContact CG-CD2 3.59Å; V307-L330 HydrophobicContact CG1-CD2 3.65Å; H323-L330 HydrophobicContact CB-CD1 3.7Å; H323-L330 WeakPolarHBondContact ND1-CD1 3.44Å; G327-L330 VanDerWaalsContact O-CB 3.31Å; G327-L330 WeakPolarHBondContact O-CB 3.27Å; G327-L330 PolarHBondContact O-N 2.79Å; L330-T332 WeakPolarHBondContact CB-O 3.43Å; L330-T332 PolarHBondContact O-N 2.94Å; L330-L334 HydrophobicContact CD1-CD1 4.4Å; L330-L334 HydrophobicContact CD1-CD2 3.84Å; L330-L334 HydrophobicContact CD1-CG 4.02Å |
| 331 | V | 84.8 | Confident | 82.2 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 33% | 0.333 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -61.8 | -31 | 178 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | T279 K291 Y293 | T279-V331 HydrophobicContact CG2-CB 4.4Å; T279-V331 HydrophobicContact CG2-CG1 3.77Å; T279-V331 HydrophobicContact CG2-CG2 3.75Å; K291-V331 HydrophobicContact CB-CG1 4.17Å; K291-V331 HydrophobicContact CG-CB 4.3Å; K291-V331 HydrophobicContact CG-CG1 3.88Å; Y293-V331 HydrophobicContact CE2-CG1 4.47Å; Y293-V331 WeakPolarHBondContact OH-CB 3.14Å; Y293-V331 PolarHBondContact OH-N 3.26Å |
| 332 | T | 86.9 | Confident | 80.9 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -154.3 | 159.3 | 176.1 | -166 | 0 | 0 | 0 | 0 | 108.8 | E259 V277 L330 | E259-T332 WeakPolarHBondContact OE1-CB 3.46Å; E259-T332 WeakPolarHBondContact OE1-CG2 3.37Å; E259-T332 PolarHBondContact OE1-OG1 3.39Å; V277-T332 HydrophobicContact CG1-CG2 3.66Å; L330-T332 WeakPolarHBondContact CB-O 3.43Å; L330-T332 PolarHBondContact O-N 2.94Å |
| 333 | R | 89.3 | Confident | 79.2 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | trans | -68.5 | 148.1 | 174.1 | 69.2 | 179.1 | -177 | -169.7 | -1.1 | 110.1 | G260 R335 | G260-R333 WeakPolarHBondContact CA-O 3.22Å; R333-R335 HydrophobicContact CG-CG 3.83Å; R333-R335 VanDerWaalsContact NE-NE 3.18Å; R333-R335 VanDerWaalsContact NH2-CZ 3.28Å; R333-R335 PolarHBondContact O-N 3.31Å | ||
| 334 | L | 91.4 | Very high | 77.6 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | trans | -72.5 | 123.7 | 176.6 | -52.1 | -180 | 0 | 0 | 0 | 108.9 | F262 V275 V277 I320 H323 Q324 L330 | F262-L334 HydrophobicContact CB-CD2 3.66Å; F262-L334 HydrophobicContact CD1-CB 3.63Å; F262-L334 HydrophobicContact CD1-CD2 4.33Å; F262-L334 HydrophobicContact CD1-CG 4.44Å; F262-L334 HydrophobicContact CD2-CB 4.15Å; F262-L334 HydrophobicContact CD2-CD1 3.84Å; F262-L334 HydrophobicContact CD2-CD2 4Å; F262-L334 HydrophobicContact CD2-CG 4.21Å; F262-L334 HydrophobicContact CE1-CB 3.74Å; F262-L334 HydrophobicContact CE2-CB 4.26Å; F262-L334 HydrophobicContact CE2-CD1 3.92Å; F262-L334 HydrophobicContact CG-CB 3.84Å; F262-L334 HydrophobicContact CG-CD1 4.29Å; F262-L334 HydrophobicContact CG-CD2 3.73Å; F262-L334 HydrophobicContact CG-CG 4.15Å; F262-L334 HydrophobicContact CZ-CB 4.07Å; F262-L334 HydrophobicContact CZ-CD1 4.44Å; V275-L334 HydrophobicContact CG1-CD1 4.36Å; V275-L334 HydrophobicContact CG1-CD2 4.16Å; V277-L334 HydrophobicContact CB-CD2 4.47Å; V277-L334 HydrophobicContact CG1-CD2 4.12Å; V277-L334 HydrophobicContact CG2-CD2 3.48Å; V277-L334 VanDerWaalsContact CG2-CD2 3.48Å; I320-L334 HydrophobicContact CD1-CD1 3.96Å; I320-L334 HydrophobicContact CG2-CD1 4.12Å; H323-L334 HydrophobicContact CB-CD1 3.58Å; H323-L334 HydrophobicContact CB-CG 3.89Å; H323-L334 PolarHBondContact O-N 3.07Å; Q324-L334 WeakPolarHBondContact CA-O 3.45Å; Q324-L334 HydrophobicContact CB-CB 4.48Å; Q324-L334 HydrophobicContact CG-CB 3.82Å; L330-L334 HydrophobicContact CD1-CD1 4.4Å; L330-L334 HydrophobicContact CD1-CD2 3.84Å; L330-L334 HydrophobicContact CD1-CG 4.02Å | ||
| 335 | R | 88.2 | Confident | 76.2 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | trans | -122.8 | -50.1 | -173.9 | -62.9 | -173.2 | -170.2 | -139.1 | 4.9 | 112.8 | E259 G260 R333 | E259-R335 WeakPolarHBondContact O-CD 3.48Å; G260-R335 PolarHBondContact O-N 3.41Å; R333-R335 HydrophobicContact CG-CG 3.83Å; R333-R335 VanDerWaalsContact NE-NE 3.18Å; R333-R335 VanDerWaalsContact NH2-CZ 3.28Å; R333-R335 PolarHBondContact O-N 3.31Å | ||
| 336 | Y | 88.9 | Confident | 75.3 | Confident | 105 Ų | 105 | 59 Ų | 59 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 102.4 | -169.7 | -54.6 | -75.7 | 0 | 0 | 0 | 108.9 | K258 E259 G260 A261 F262 V338 | K258-Y336 HydrophobicContact CB-CD2 3.61Å; K258-Y336 HydrophobicContact CB-CE2 3.96Å; K258-Y336 HydrophobicContact CB-CG 4.22Å; K258-Y336 HydrophobicContact CD-CD1 4.21Å; K258-Y336 HydrophobicContact CD-CD2 4.19Å; K258-Y336 HydrophobicContact CD-CE1 4.44Å; K258-Y336 HydrophobicContact CD-CE2 4.43Å; K258-Y336 HydrophobicContact CD-CG 4.08Å; K258-Y336 HydrophobicContact CG-CD2 4.46Å; E259-Y336 WeakPolarHBondContact O-CD2 3.33Å; E259-Y336 WeakPolarHBondContact O-CE2 3.39Å; G260-Y336 PolarHBondContact O-N 3.1Å; G260-Y336 VanDerWaalsContact O-N 3.13Å; A261-Y336 CarbonylContact C-O 3.54Å; A261-Y336 VanDerWaalsContact CA-O 3.25Å; A261-Y336 WeakPolarHBondContact CA-O 3.43Å; F262-Y336 WeakPolarHBondContact CD1-O 3.49Å; F262-Y336 PolarHBondContact N-O 3.14Å; Y336-V338 PolarHBondContact O-N 3.03Å |
| 337 | P | 89.3 | Confident | 74.4 | Confident | 55 Ų | 55 | 58.3 Ų | 58.3 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 129.8 | 174.8 | 29.5 | -34.8 | 0 | 0 | 0 | 108.9 | W239 F262 | W239-P337 HydrophobicContact CB-CB 3.77Å; F262-P337 HydrophobicContact CE1-CB 4.01Å; F262-P337 HydrophobicContact CZ-CB 4.1Å; F262-P337 CarbonylContact O-C 3.58Å; F262-P337 WeakPolarHBondContact O-CA 3.43Å |
| 338 | V | 86.6 | Confident | 73.9 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | trans | -102.1 | 124.9 | 174.4 | 178 | 0 | 0 | 0 | 0 | 107.8 | N241 L252 L253 T256 A261 F262 M263 Y336 | N241-V338 PolarHBondContact ND2-O 3.16Å; L252-V338 HydrophobicContact CB-CG1 4.22Å; L253-V338 HydrophobicContact CD2-CB 4.09Å; L253-V338 HydrophobicContact CD2-CG2 3.77Å; T256-V338 HydrophobicContact CG2-CG2 3.97Å; A261-V338 HydrophobicContact CB-CG2 3.95Å; F262-V338 PolarHBondContact O-N 3.46Å; M263-V338 HydrophobicContact CE-CB 4.47Å; M263-V338 HydrophobicContact CE-CG1 4.18Å; Y336-V338 PolarHBondContact O-N 3.03Å | ||
| 339 | C | 78.6 | Confident | 73.1 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | trans | -115.5 | 130 | -179.8 | -165.3 | 0 | 0 | 0 | 0 | 109.8 | E238 N241 R342 | E238-C339 WeakPolarHBondContact O-CB 3.24Å; E238-C339 PolarHBondContact O-SG 3.46Å; E238-C339 VanDerWaalsContact O-SG 3.37Å; N241-C339 WeakPolarHBondContact OD1-CA 3.06Å; C339-R342 VanDerWaalsContact SG-CD 3.51Å; C339-R342 WeakPolarHBondContact SG-CG 3.36Å | ||
| 340 | F | 64.3 | Low | 72.3 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -108.5 | 136.9 | 176 | -176 | -106.5 | 0 | 0 | 0 | 109.1 | N241 I244 K248 L252 R342 | N241-F340 WeakPolarHBondContact OD1-CB 3.43Å; N241-F340 PolarHBondContact OD1-N 3.18Å; I244-F340 HydrophobicContact CD1-CB 3.89Å; I244-F340 HydrophobicContact CD1-CD1 3.99Å; I244-F340 HydrophobicContact CD1-CG 3.84Å; K248-F340 HydrophobicContact CD-CE1 4.49Å; K248-F340 HydrophobicContact CD-CZ 4.41Å; K248-F340 VanDerWaalsContact CE-CE1 3.46Å; L252-F340 HydrophobicContact CD1-CB 3.69Å; L252-F340 HydrophobicContact CD1-CD2 3.34Å; L252-F340 HydrophobicContact CD1-CE2 4.24Å; L252-F340 HydrophobicContact CD1-CG 3.64Å; L252-F340 HydrophobicContact CD2-CD2 3.82Å; L252-F340 HydrophobicContact CD2-CE2 4.35Å; L252-F340 HydrophobicContact CG-CD2 4.19Å; F340-R342 VanDerWaalsContact C-N 3.28Å; F340-R342 PolarHBondContact O-N 3.47Å |
| 341 | G | 55.6 | Low | 71.1 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 81.4 | -16.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q343 | G341-Q343 VanDerWaalsContact C-N 3.28Å; G341-Q343 PolarHBondContact O-N 2.72Å |
| 342 | R | 59.8 | Low | 70.3 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 3.2 | 176.9 | -65.1 | -167.2 | -164.7 | -172 | 0.3 | 116 | Y180 E235 Y237 C339 F340 | Y180-R342 HydrophobicContact CE1-CB 4.15Å; Y180-R342 HydrophobicContact CE1-CG 4.42Å; E235-R342 PolarHBondContact O-NH2 3.05Å; Y237-R342 PolarHBondContact O-NH2 3.43Å; C339-R342 VanDerWaalsContact SG-CD 3.51Å; C339-R342 WeakPolarHBondContact SG-CG 3.36Å; F340-R342 VanDerWaalsContact C-N 3.28Å; F340-R342 PolarHBondContact O-N 3.47Å |
| 343 | Q | 52.3 | Low | 69.1 | Low | 188 Ų | 188 | 57 Ų | 57 | 88% | 0.879 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -26.1 | -179.1 | -66.7 | -175.1 | 9.3 | 0 | 0 | 112.7 | G341 | G341-Q343 VanDerWaalsContact C-N 3.28Å; G341-Q343 PolarHBondContact O-N 2.72Å |
| 344 | K | 55.4 | Low | 67.8 | Low | 148 Ų | 148 | 54.9 Ų | 54.9 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -120.5 | 125.1 | 177.9 | -159.4 | 175.9 | -175.4 | -178.3 | 0 | 106.8 | ||
| 345 | A | 58.8 | Low | 66.7 | Low | 39 Ų | 39 | 60 Ų | 60 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 143 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110 | Y180 Y225 | Y180-A345 HydrophobicContact CD1-CB 3.96Å; Y180-A345 HydrophobicContact CG-CB 4.03Å; Y225-A345 HydrophobicContact CE1-CB 3.79Å; Y225-A345 HydrophobicContact CE2-CB 4.34Å; Y225-A345 WeakPolarHBondContact OH-CB 3.39Å |
| 346 | P | 64.2 | Low | 66.1 | Low | 43 Ų | 43 | 58.2 Ų | 58.2 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 150 | 177.3 | 26.1 | -32.3 | 0 | 0 | 0 | 109 | Y180 Y225 T348 | Y180-P346 VanDerWaalsContact CD2-CD 3.5Å; Y180-P346 HydrophobicContact CD2-CG 4.21Å; Y180-P346 HydrophobicContact CE2-CG 3.88Å; Y180-P346 VanDerWaalsContact CZ-CD 3.49Å; Y225-P346 HydrophobicContact CD2-CG 3.82Å; Y225-P346 HydrophobicContact CE2-CG 3.72Å; Y225-P346 VanDerWaalsContact CE2-O 3.3Å; Y225-P346 WeakPolarHBondContact CE2-O 3.48Å; Y225-P346 PolarHBondContact OH-O 3.05Å; P346-T348 PolarHBondContact O-N 3.28Å |
| 347 | V | 62.6 | Low | 65.9 | Low | 40 Ų | 40 | 56.4 Ų | 56.4 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 126 | 176.2 | -166.7 | 0 | 0 | 0 | 0 | 108.1 | Q420 Y422 | V347-Q420 HydrophobicContact CB-CB 4.2Å; V347-Q420 HydrophobicContact CB-CG 4.17Å; V347-Q420 HydrophobicContact CG1-CB 3.79Å; V347-Q420 HydrophobicContact CG1-CG 3.59Å; V347-Y422 HydrophobicContact CB-CE1 4.5Å; V347-Y422 HydrophobicContact CG1-CD1 4.01Å; V347-Y422 HydrophobicContact CG1-CE1 3.02Å; V347-Y422 VanDerWaalsContact CG1-CZ 3.48Å; V347-Y422 VanDerWaalsContact CG1-OH 3.28Å; V347-Y422 WeakPolarHBondContact CG1-OH 3.38Å |
| 348 | T | 63.5 | Low | 65.7 | Low | 16 Ų | 16 | 53.9 Ų | 53.9 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 146.1 | -179.7 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | P222 Y225 P346 G350 | P222-T348 HydrophobicContact CB-CG2 3.74Å; P222-T348 HydrophobicContact CG-CG2 3.43Å; P222-T348 VanDerWaalsContact CG-CG2 3.43Å; Y225-T348 HydrophobicContact CD2-CG2 4.38Å; Y225-T348 HydrophobicContact CE2-CG2 3.56Å; P346-T348 PolarHBondContact O-N 3.28Å; T348-G350 CarbonylContact C-O 3.57Å; T348-G350 WeakPolarHBondContact CB-O 3.36Å; T348-G350 PolarHBondContact O-N 3.02Å; T348-G350 PolarHBondContact OG1-O 2.79Å |
| 349 | A | 55.3 | Low | 65.7 | Low | 8 Ų | 8 | 56.8 Ų | 56.8 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -72.9 | 99 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | H207 W208 | H207-A349 HydrophobicContact CB-CB 3.57Å; W208-A349 PolarHBondContact NE1-O 2.95Å |
| 350 | G | 56.8 | Low | 66.1 | Low | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 81.7 | 162.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T348 M411 | T348-G350 CarbonylContact C-O 3.57Å; T348-G350 WeakPolarHBondContact CB-O 3.36Å; T348-G350 PolarHBondContact O-N 3.02Å; T348-G350 PolarHBondContact OG1-O 2.79Å; G350-M411 VanDerWaalsContact CA-CE 3.42Å |
| 351 | L | 61.8 | Low | 67.2 | Low | 22 Ų | 22 | 57.5 Ų | 57.5 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -81.3 | -33.2 | -174.6 | -67.8 | 170.6 | 0 | 0 | 0 | 113.3 | I358 W382 Y422 | L351-I358 HydrophobicContact CD1-CD1 3.44Å; L351-I358 VanDerWaalsContact CD1-CD1 3.44Å; L351-I358 HydrophobicContact CD1-CG1 3.53Å; L351-W382 HydrophobicContact CB-CH2 3.72Å; L351-W382 HydrophobicContact CB-CZ2 4.12Å; L351-W382 HydrophobicContact CB-CZ3 4.4Å; L351-W382 HydrophobicContact CD1-CD2 4.21Å; L351-W382 HydrophobicContact CD1-CE3 4.39Å; L351-W382 HydrophobicContact CD1-CH2 3.76Å; L351-W382 HydrophobicContact CD1-CZ2 3.54Å; L351-W382 HydrophobicContact CD1-CZ3 4.2Å; L351-W382 HydrophobicContact CD2-CD2 4.33Å; L351-W382 HydrophobicContact CD2-CE3 3.67Å; L351-W382 HydrophobicContact CD2-CH2 3.38Å; L351-W382 HydrophobicContact CD2-CZ2 4.07Å; L351-W382 HydrophobicContact CD2-CZ3 3.16Å; L351-W382 HydrophobicContact CG-CH2 3.76Å; L351-W382 HydrophobicContact CG-CZ2 4.08Å; L351-W382 HydrophobicContact CG-CZ3 4.06Å; L351-Y422 HydrophobicContact CD2-CD1 3.68Å; L351-Y422 HydrophobicContact CD2-CE1 4.4Å; L351-Y422 HydrophobicContact CD2-CG 3.81Å; L351-Y422 HydrophobicContact CG-CG 4.49Å; L351-Y422 WeakPolarHBondContact CG-O 3.28Å; L351-Y422 PolarHBondContact N-O 2.88Å |
| 352 | R | 66.3 | Low | 68.8 | Low | 82 Ų | 82 | 58 Ų | 58 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -152 | 157.4 | 179.4 | -66.2 | -171.8 | -167.9 | 170.1 | 11.7 | 110.1 | E189 G354 K355 | E189-R352 WeakPolarHBondContact OE1-CA 3.47Å; E189-R352 VanDerWaalsContact OE1-CB 3.27Å; E189-R352 WeakPolarHBondContact OE1-CB 3.31Å; R352-G354 PolarHBondContact O-N 2.85Å; R352-K355 HydrophobicContact CB-CB 4.21Å; R352-K355 PolarHBondContact O-N 2.9Å |
| 353 | Y | 61.5 | Low | 70.3 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 120.5 | 176.1 | 178.7 | -103.2 | 0 | 0 | 0 | 110.6 | E189 E205 W208 Y220 K355 | E189-Y353 PolarHBondContact OE1-N 2.81Å; E205-Y353 WeakPolarHBondContact OE1-CE2 3.33Å; E205-Y353 PolarHBondContact OE1-OH 3.38Å; E205-Y353 VanDerWaalsContact OE1-OH 3.05Å; E205-Y353 WeakPolarHBondContact OE2-CE2 3.45Å; W208-Y353 HydrophobicContact CB-CD2 3.72Å; W208-Y353 HydrophobicContact CB-CE2 4.12Å; W208-Y353 HydrophobicContact CD2-CD2 4.04Å; W208-Y353 HydrophobicContact CE3-CD2 4.34Å; W208-Y353 AromaticContact CG-CD2 3.77Å; W208-Y353 HydrophobicContact CG-CD2 3.77Å; Y220-Y353 AromaticContact CD1-CD2 3.91Å; Y220-Y353 HydrophobicContact CD1-CD2 3.91Å; Y220-Y353 AromaticContact CD1-CE2 3.59Å; Y220-Y353 HydrophobicContact CD1-CE2 3.59Å; Y220-Y353 HydrophobicContact CD1-CG 4.48Å; Y220-Y353 AromaticContact CD1-CZ 3.91Å; Y220-Y353 AromaticContact CD2-CD1 3.72Å; Y220-Y353 HydrophobicContact CD2-CD1 3.72Å; Y220-Y353 HydrophobicContact CD2-CD2 4.26Å; Y220-Y353 AromaticContact CD2-CE1 3.61Å; Y220-Y353 HydrophobicContact CD2-CE1 3.61Å; Y220-Y353 HydrophobicContact CD2-CE2 4.15Å; Y220-Y353 HydrophobicContact CD2-CG 4.04Å; Y220-Y353 AromaticContact CD2-CZ 3.83Å; Y220-Y353 HydrophobicContact CE1-CE1 4.47Å; Y220-Y353 AromaticContact CE1-CE2 3.76Å; Y220-Y353 HydrophobicContact CE1-CE2 3.76Å; Y220-Y353 AromaticContact CE1-CZ 3.73Å; Y220-Y353 HydrophobicContact CE2-CD1 4.17Å; Y220-Y353 AromaticContact CE2-CE1 3.57Å; Y220-Y353 HydrophobicContact CE2-CE1 3.57Å; Y220-Y353 HydrophobicContact CE2-CE2 4.3Å; Y220-Y353 AromaticContact CE2-CZ 3.64Å; Y220-Y353 HydrophobicContact CG-CD1 4.05Å; Y220-Y353 AromaticContact CG-CD2 3.76Å; Y220-Y353 HydrophobicContact CG-CD2 3.76Å; Y220-Y353 HydrophobicContact CG-CE1 4.1Å; Y220-Y353 AromaticContact CG-CE2 3.8Å; Y220-Y353 HydrophobicContact CG-CE2 3.8Å; Y220-Y353 AromaticContact CG-CG 3.88Å; Y220-Y353 HydrophobicContact CG-CG 3.88Å; Y220-Y353 AromaticContact CG-CZ 3.96Å; Y220-Y353 AromaticContact CZ-CZ 3.58Å; Y220-Y353 PolarHBondContact OH-OH 3.21Å; Y353-K355 PolarHBondContact O-N 2.97Å; Y353-K355 VanDerWaalsContact O-N 3.1Å |
| 354 | G | 62.5 | Low | 72.3 | Confident | 65 Ų | 65 | 51 Ų | 51 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R352 | R352-G354 PolarHBondContact O-N 2.85Š|
| 355 | K | 67.9 | Low | 74.1 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -120.5 | 104 | 177.1 | -72.7 | -179.6 | -177.7 | 163.5 | 0 | 111.1 | D186 R352 Y353 | D186-K355 IonicContact OD2-NZ 3.49Å; R352-K355 HydrophobicContact CB-CB 4.21Å; R352-K355 PolarHBondContact O-N 2.9Å; Y353-K355 PolarHBondContact O-N 2.97Å; Y353-K355 VanDerWaalsContact O-N 3.1Å |
| 356 | W | 76 | Confident | 75.8 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 25% | 0.25 | 28% | 0.279 | C | S | . | . | trans | -116.5 | -5.6 | 177.9 | 53.2 | -90.2 | 0 | 0 | 0 | 112.7 | I404 M411 G423 V424 | W356-I404 HydrophobicContact CH2-CG2 3.95Å; W356-M411 HydrophobicContact CB-CE 3.48Å; W356-M411 VanDerWaalsContact CB-CE 3.48Å; W356-M411 HydrophobicContact CB-CG 4.42Å; W356-M411 HydrophobicContact CB-SD 4.18Å; W356-G423 CarbonylContact O-C 3.06Å; W356-G423 WeakPolarHBondContact O-CA 3.49Å; W356-V424 HydrophobicContact CE3-CB 4.45Å; W356-V424 HydrophobicContact CE3-CG1 4.12Å; W356-V424 HydrophobicContact CE3-CG2 3.56Å; W356-V424 HydrophobicContact CZ3-CG1 4.27Å; W356-V424 HydrophobicContact CZ3-CG2 3.41Å; W356-V424 VanDerWaalsContact CZ3-CG2 3.41Å; W356-V424 PolarHBondContact O-N 3.49Å | ||
| 357 | V | 84.6 | Confident | 77.2 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -85.9 | 123.6 | 169.8 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | V424 L426 | V357-V424 CarbonylContact C-O 3.58Å; V357-V424 WeakPolarHBondContact CA-O 3.41Å; V357-L426 HydrophobicContact CG2-CD1 4.45Å |
| 358 | I | 86.2 | Confident | 78.7 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 128.6 | -179.5 | -59.8 | 167 | 0 | 0 | 0 | 108.2 | L351 E362 L363 V424 C425 V434 | L351-I358 HydrophobicContact CD1-CD1 3.44Å; L351-I358 VanDerWaalsContact CD1-CD1 3.44Å; L351-I358 HydrophobicContact CD1-CG1 3.53Å; I358-E362 HydrophobicContact CG2-CB 4.24Å; I358-L363 HydrophobicContact CG2-CD1 4.01Å; I358-L363 HydrophobicContact CG2-CD2 4.11Å; I358-L363 HydrophobicContact CG2-CG 3.83Å; I358-V424 PolarHBondContact N-O 3.05Å; I358-C425 PolarHBondContact O-SG 2.91Å; I358-V434 HydrophobicContact CD1-CB 3.64Å; I358-V434 HydrophobicContact CD1-CG1 4.15Å; I358-V434 HydrophobicContact CD1-CG2 3.54Å |
| 359 | D | 85.2 | Confident | 80 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 130 | 173.8 | -177.7 | -46.3 | 0 | 0 | 0 | 109.2 | S361 E362 | D359-S361 VanDerWaalsContact CG-OG 3.28Å; D359-S361 PolarHBondContact O-N 2.92Å; D359-S361 VanDerWaalsContact O-N 3.08Å; D359-S361 VanDerWaalsContact OD1-CB 3.25Å; D359-S361 WeakPolarHBondContact OD1-CB 3.29Å; D359-S361 PolarHBondContact OD1-N 2.75Å; D359-S361 PolarHBondContact OD1-OG 3.35Å; D359-E362 HydrophobicContact CB-CG 4.12Å; D359-E362 WeakPolarHBondContact O-CB 3.36Å; D359-E362 PolarHBondContact O-N 2.78Å |
| 360 | P | 87.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -52.1 | -32.5 | 179.8 | -20.5 | 24.7 | 0 | 0 | 0 | 114 | E362 L363 C425 E427 Q428 | P360-E362 PolarHBondContact O-N 3.25Å; P360-L363 PolarHBondContact O-N 2.85Å; P360-L363 VanDerWaalsContact O-N 3.12Å; P360-C425 VanDerWaalsContact CG-SG 3.53Å; P360-E427 HydrophobicContact CG-CB 4.02Å; P360-Q428 HydrophobicContact CB-CB 3.96Å; P360-Q428 HydrophobicContact CG-CB 3.79Å |
| 361 | S | 88.6 | Confident | 82.6 | Confident | 97 Ų | 97 | 64.4 Ų | 64.4 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -67.8 | -18 | 179.4 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | D359 L363 | D359-S361 VanDerWaalsContact CG-OG 3.28Å; D359-S361 PolarHBondContact O-N 2.92Å; D359-S361 VanDerWaalsContact O-N 3.08Å; D359-S361 VanDerWaalsContact OD1-CB 3.25Å; D359-S361 WeakPolarHBondContact OD1-CB 3.29Å; D359-S361 PolarHBondContact OD1-N 2.75Å; D359-S361 PolarHBondContact OD1-OG 3.35Å; S361-L363 VanDerWaalsContact C-N 3.32Å |
| 362 | E | 88.9 | Confident | 83 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -81.9 | -11.9 | 174.6 | -59 | -174.1 | 166.1 | 0 | 0 | 112.5 | I358 D359 P360 W382 L383 | I358-E362 HydrophobicContact CG2-CB 4.24Å; D359-E362 HydrophobicContact CB-CG 4.12Å; D359-E362 WeakPolarHBondContact O-CB 3.36Å; D359-E362 PolarHBondContact O-N 2.78Å; P360-E362 PolarHBondContact O-N 3.25Å; E362-W382 CarbonylContact O-C 3.59Å; E362-W382 WeakPolarHBondContact O-CA 3.49Å; E362-W382 PolarHBondContact OE2-NE1 3.11Å; E362-L383 HydrophobicContact CB-CD2 3.81Å; E362-L383 HydrophobicContact CB-CG 4.31Å; E362-L383 HydrophobicContact CG-CD2 3.61Å; E362-L383 HydrophobicContact CG-CG 4.5Å; E362-L383 PolarHBondContact O-N 3.24Å |
| 363 | L | 91.9 | Very high | 83.1 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 7% | 0.068 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.4 | -177.1 | -64.9 | 174.5 | 0 | 0 | 0 | 111.7 | I358 P360 S361 W382 I390 C425 V434 | I358-L363 HydrophobicContact CG2-CD1 4.01Å; I358-L363 HydrophobicContact CG2-CD2 4.11Å; I358-L363 HydrophobicContact CG2-CG 3.83Å; P360-L363 PolarHBondContact O-N 2.85Å; P360-L363 VanDerWaalsContact O-N 3.12Å; S361-L363 VanDerWaalsContact C-N 3.32Å; L363-W382 HydrophobicContact CD2-CB 4.14Å; L363-W382 HydrophobicContact CD2-CG 4.33Å; L363-I390 HydrophobicContact CB-CD1 4.28Å; L363-I390 HydrophobicContact CD2-CD1 4.25Å; L363-C425 HydrophobicContact CD1-CB 4.17Å; L363-V434 HydrophobicContact CD1-CG2 3.73Å; L363-V434 HydrophobicContact CD2-CG1 4.18Å; L363-V434 HydrophobicContact CD2-CG2 3.98Å |
| 364 | T | 93.4 | Very high | 83.4 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 32% | 0.319 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.2 | 172.5 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | G380 Y381 N384 | T364-G380 CarbonylContact O-C 3.56Å; T364-G380 WeakPolarHBondContact O-CA 3.37Å; T364-Y381 PolarHBondContact N-O 3.02Å; T364-Y381 PolarHBondContact O-N 2.79Å; T364-N384 PolarHBondContact OG1-OD1 2.93Å; T364-N384 VanDerWaalsContact OG1-OD1 3.1Å |
| 365 | F | 93.4 | Very high | 84.2 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 132.4 | 174.5 | -69.8 | -104.9 | 0 | 0 | 0 | 109.9 | H378 I390 T392 | F365-H378 HydrophobicContact CD1-CB 3.82Å; F365-H378 AromaticContact CD1-CG 3.74Å; F365-H378 AromaticContact CD1-ND1 3.99Å; F365-H378 HydrophobicContact CE1-CB 4.37Å; F365-I390 HydrophobicContact CD1-CD1 4.31Å; F365-I390 HydrophobicContact CD2-CD1 4.38Å; F365-I390 HydrophobicContact CE1-CB 4.1Å; F365-I390 HydrophobicContact CE1-CD1 4.25Å; F365-I390 HydrophobicContact CE1-CG2 3.57Å; F365-I390 HydrophobicContact CE2-CD1 4.32Å; F365-I390 HydrophobicContact CG-CD1 4.38Å; F365-I390 HydrophobicContact CZ-CB 4.49Å; F365-I390 HydrophobicContact CZ-CD1 4.26Å; F365-I390 HydrophobicContact CZ-CG2 3.61Å; F365-T392 HydrophobicContact CE1-CG2 3.91Å; F365-T392 HydrophobicContact CZ-CG2 4.34Å |
| 366 | V | 94.1 | Very high | 85.1 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 49% | 0.485 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -61.6 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | L379 Y381 | V366-L379 WeakPolarHBondContact CA-O 3.43Å; V366-L379 HydrophobicContact CB-CG 4.26Å; V366-L379 WeakPolarHBondContact CB-O 3.35Å; V366-L379 HydrophobicContact CG1-CD2 4.38Å; V366-L379 PolarHBondContact N-O 3.2Å; V366-Y381 HydrophobicContact CG2-CD2 3.58Å; V366-Y381 HydrophobicContact CG2-CE2 3.72Å |
| 367 | Q | 93.8 | Very high | 85.8 | Confident | 127 Ų | 127 | 59.4 Ų | 59.4 | 59% | 0.593 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 142 | -173.7 | -177.3 | -176.3 | -22.8 | 0 | 0 | 110.8 | I369 H378 L379 | Q367-I369 PolarHBondContact O-N 3.36Å; Q367-H378 CarbonylContact O-C 3.59Å; Q367-H378 VanDerWaalsContact O-CA 3.23Å; Q367-H378 WeakPolarHBondContact O-CA 3.43Å; Q367-L379 PolarHBondContact N-O 3Å; Q367-L379 PolarHBondContact O-N 2.89Å |
| 368 | E | 94.1 | Very high | 86.3 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 124.3 | 167.2 | -170.9 | -177.1 | 142.6 | 0 | 0 | 110.7 | ||
| 369 | I | 90 | Very high | 86.7 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -10.7 | -178.8 | 60.6 | 175.1 | 0 | 0 | 0 | 113 | Q367 V377 L379 F437 | Q367-I369 PolarHBondContact O-N 3.36Å; I369-V377 HydrophobicContact CD1-CG1 3.89Å; I369-V377 HydrophobicContact CG1-CB 4.13Å; I369-V377 HydrophobicContact CG1-CG1 3.79Å; I369-V377 VanDerWaalsContact CG1-O 3.31Å; I369-V377 WeakPolarHBondContact CG1-O 3.48Å; I369-V377 PolarHBondContact N-O 3.49Å; I369-L379 HydrophobicContact CD1-CB 4.37Å; I369-L379 HydrophobicContact CG2-CB 3.67Å; I369-F437 HydrophobicContact CD1-CD2 4.25Å; I369-F437 HydrophobicContact CD1-CE2 3.77Å |
| 370 | G | 84.7 | Confident | 87.1 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 160.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | V377 | G370-V377 PolarHBondContact N-O 3.31Å; G370-V377 VanDerWaalsContact N-O 3.14Å; G370-V377 PolarHBondContact O-N 2.85Å |
| 371 | S | 82.6 | Confident | 87.3 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128.6 | 175.3 | 70.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 372 | G | 70.1 | Confident | 87.2 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | trans | -127.6 | -176.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | F374 G375 | G372-F374 PolarHBondContact O-N 3.4Å; G372-G375 PolarHBondContact N-O 3.48Å; G372-G375 PolarHBondContact O-N 2.93Å | ||
| 373 | Q | 67.7 | Low | 86.9 | Confident | 130 Ų | 130 | 55.9 Ų | 55.9 | 61% | 0.607 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -59.5 | -36.7 | 177.5 | 179.1 | 173.8 | -35.9 | 0 | 0 | 112.1 | ||
| 374 | F | 68.8 | Low | 86.3 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 13% | 0.127 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -88.6 | -16.9 | -174.7 | -55.6 | -74.5 | 0 | 0 | 0 | 113.6 | G372 I393 R394 M503 | G372-F374 PolarHBondContact O-N 3.4Å; F374-I393 WeakPolarHBondContact O-CA 3.3Å; F374-R394 PolarHBondContact O-N 3.42Å; F374-M503 HydrophobicContact CE1-SD 4.21Å; F374-M503 HydrophobicContact CE2-CG 4.19Å; F374-M503 HydrophobicContact CZ-CG 3.74Å; F374-M503 HydrophobicContact CZ-SD 3.61Å |
| 375 | G | 79.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.1 | -154.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G372 T392 | G372-G375 PolarHBondContact N-O 3.48Å; G372-G375 PolarHBondContact O-N 2.93Å; G375-T392 CarbonylContact C-O 3.55Å; G375-T392 VanDerWaalsContact CA-O 3.27Å; G375-T392 WeakPolarHBondContact CA-O 3.29Å |
| 376 | L | 87.6 | Confident | 85.2 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 144.5 | -173.4 | -60.4 | 176 | 0 | 0 | 0 | 110.1 | K391 T392 | L376-K391 CarbonylContact O-C 3.46Å; L376-K391 WeakPolarHBondContact O-CA 3.44Å; L376-T392 PolarHBondContact N-O 3.45Å; L376-T392 PolarHBondContact O-N 3.31Å; L376-T392 PolarHBondContact O-OG1 2.89Å |
| 377 | V | 90.9 | Very high | 85.1 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.4 | 173.7 | -171 | 0 | 0 | 0 | 0 | 107.7 | I369 G370 A389 I390 K391 | I369-V377 HydrophobicContact CD1-CG1 3.89Å; I369-V377 HydrophobicContact CG1-CB 4.13Å; I369-V377 HydrophobicContact CG1-CG1 3.79Å; I369-V377 VanDerWaalsContact CG1-O 3.31Å; I369-V377 WeakPolarHBondContact CG1-O 3.48Å; I369-V377 PolarHBondContact N-O 3.49Å; G370-V377 PolarHBondContact N-O 3.31Å; G370-V377 VanDerWaalsContact N-O 3.14Å; G370-V377 PolarHBondContact O-N 2.85Å; V377-A389 HydrophobicContact CG1-CB 4.36Å; V377-I390 CarbonylContact C-O 3.51Å; V377-I390 WeakPolarHBondContact CA-O 3.36Å; V377-K391 HydrophobicContact CG2-CB 4.34Å; V377-K391 HydrophobicContact CG2-CG 4.15Å |
| 378 | H | 93.3 | Very high | 85 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 15% | 0.153 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.7 | 177.2 | -59.8 | 82.7 | 0 | 0 | 0 | 110.2 | F365 Q367 A389 I390 | F365-H378 HydrophobicContact CD1-CB 3.82Å; F365-H378 AromaticContact CD1-CG 3.74Å; F365-H378 AromaticContact CD1-ND1 3.99Å; F365-H378 HydrophobicContact CE1-CB 4.37Å; Q367-H378 CarbonylContact O-C 3.59Å; Q367-H378 VanDerWaalsContact O-CA 3.23Å; Q367-H378 WeakPolarHBondContact O-CA 3.43Å; H378-A389 CarbonylContact O-C 3.57Å; H378-A389 WeakPolarHBondContact O-CA 3.16Å; H378-I390 HydrophobicContact CB-CB 4.49Å; H378-I390 PolarHBondContact N-O 3.1Å; H378-I390 PolarHBondContact O-N 3Å |
| 379 | L | 94.6 | Very high | 85 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 134.4 | 155.6 | 168.5 | 64 | 0 | 0 | 0 | 108 | V366 Q367 I369 K387 F437 | V366-L379 WeakPolarHBondContact CA-O 3.43Å; V366-L379 HydrophobicContact CB-CG 4.26Å; V366-L379 WeakPolarHBondContact CB-O 3.35Å; V366-L379 HydrophobicContact CG1-CD2 4.38Å; V366-L379 PolarHBondContact N-O 3.2Å; Q367-L379 PolarHBondContact N-O 3Å; Q367-L379 PolarHBondContact O-N 2.89Å; I369-L379 HydrophobicContact CD1-CB 4.37Å; I369-L379 HydrophobicContact CG2-CB 3.67Å; L379-K387 HydrophobicContact CD1-CD 3.59Å; L379-K387 HydrophobicContact CD1-CG 3.45Å; L379-K387 VanDerWaalsContact CD1-CG 3.45Å; L379-F437 HydrophobicContact CB-CE2 4.34Å; L379-F437 HydrophobicContact CD1-CD2 3.7Å; L379-F437 HydrophobicContact CD1-CE1 4.49Å; L379-F437 HydrophobicContact CD1-CE2 3.64Å; L379-F437 HydrophobicContact CD1-CG 4.19Å; L379-F437 HydrophobicContact CD1-CZ 4.05Å; L379-F437 HydrophobicContact CG-CE2 4.47Å |
| 380 | G | 94.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | -179.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T364 V388 | T364-G380 CarbonylContact O-C 3.56Å; T364-G380 WeakPolarHBondContact O-CA 3.37Å; G380-V388 PolarHBondContact N-O 3.19Å; G380-V388 PolarHBondContact O-N 3.35Å |
| 381 | Y | 92 | Very high | 85.3 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.8 | 169.2 | -68.8 | -85.8 | 0 | 0 | 0 | 109.9 | T364 V366 D386 K387 | T364-Y381 PolarHBondContact N-O 3.02Å; T364-Y381 PolarHBondContact O-N 2.79Å; V366-Y381 HydrophobicContact CG2-CD2 3.58Å; V366-Y381 HydrophobicContact CG2-CE2 3.72Å; Y381-D386 CarbonylContact C-O 3.57Å; Y381-D386 VanDerWaalsContact CA-O 3.29Å; Y381-D386 WeakPolarHBondContact CA-O 3.45Å; Y381-K387 HydrophobicContact CD1-CB 4.42Å; Y381-K387 HydrophobicContact CE1-CB 4.13Å; Y381-K387 HydrophobicContact CE1-CG 4.45Å |
| 382 | W | 85.6 | Confident | 85.6 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.3 | 167.8 | -179.9 | 50.5 | 0 | 0 | 0 | 109.4 | L351 E362 L363 N384 K385 D386 V388 | L351-W382 HydrophobicContact CB-CH2 3.72Å; L351-W382 HydrophobicContact CB-CZ2 4.12Å; L351-W382 HydrophobicContact CB-CZ3 4.4Å; L351-W382 HydrophobicContact CD1-CD2 4.21Å; L351-W382 HydrophobicContact CD1-CE3 4.39Å; L351-W382 HydrophobicContact CD1-CH2 3.76Å; L351-W382 HydrophobicContact CD1-CZ2 3.54Å; L351-W382 HydrophobicContact CD1-CZ3 4.2Å; L351-W382 HydrophobicContact CD2-CD2 4.33Å; L351-W382 HydrophobicContact CD2-CE3 3.67Å; L351-W382 HydrophobicContact CD2-CH2 3.38Å; L351-W382 HydrophobicContact CD2-CZ2 4.07Å; L351-W382 HydrophobicContact CD2-CZ3 3.16Å; L351-W382 HydrophobicContact CG-CH2 3.76Å; L351-W382 HydrophobicContact CG-CZ2 4.08Å; L351-W382 HydrophobicContact CG-CZ3 4.06Å; E362-W382 CarbonylContact O-C 3.59Å; E362-W382 WeakPolarHBondContact O-CA 3.49Å; E362-W382 PolarHBondContact OE2-NE1 3.11Å; L363-W382 HydrophobicContact CD2-CB 4.14Å; L363-W382 HydrophobicContact CD2-CG 4.33Å; W382-N384 PolarHBondContact O-N 3.5Å; W382-K385 PolarHBondContact O-N 3.06Å; W382-D386 PolarHBondContact N-O 3.1Å; W382-D386 PolarHBondContact O-N 2.99Å; W382-D386 VanDerWaalsContact O-N 3.1Å; W382-V388 HydrophobicContact CB-CG1 3.91Å; W382-V388 HydrophobicContact CB-CG2 4.32Å |
| 383 | L | 83.1 | Confident | 86.1 | Confident | 79 Ų | 79 | 47.3 Ų | 47.3 | 41% | 0.414 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 30.9 | -174.3 | -63.8 | 170.9 | 0 | 0 | 0 | 113.5 | E362 K385 | E362-L383 HydrophobicContact CB-CD2 3.81Å; E362-L383 HydrophobicContact CB-CG 4.31Å; E362-L383 HydrophobicContact CG-CD2 3.61Å; E362-L383 HydrophobicContact CG-CG 4.5Å; E362-L383 PolarHBondContact O-N 3.24Å; L383-K385 PolarHBondContact O-N 3.07Å |
| 384 | N | 80.1 | Confident | 86.5 | Confident | 128 Ų | 128 | 47.6 Ų | 47.6 | 68% | 0.684 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 21.3 | -174.7 | -65.7 | -54.4 | 0 | 0 | 0 | 115 | T364 W382 | T364-N384 PolarHBondContact OG1-OD1 2.93Å; T364-N384 VanDerWaalsContact OG1-OD1 3.1Å; W382-N384 PolarHBondContact O-N 3.5Å |
| 385 | K | 81.2 | Confident | 86.8 | Confident | 157 Ų | 157 | 55.9 Ų | 55.9 | 68% | 0.683 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -58.4 | -174.1 | -175.6 | -172.8 | 173.6 | -165.8 | 0 | 111.5 | W382 L383 | W382-K385 PolarHBondContact O-N 3.06Å; L383-K385 PolarHBondContact O-N 3.07Å |
| 386 | D | 82.1 | Confident | 86.3 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.3 | -169.4 | -63.1 | -53.8 | 0 | 0 | 0 | 110.2 | Y381 W382 | Y381-D386 CarbonylContact C-O 3.57Å; Y381-D386 VanDerWaalsContact CA-O 3.29Å; Y381-D386 WeakPolarHBondContact CA-O 3.45Å; W382-D386 PolarHBondContact N-O 3.1Å; W382-D386 PolarHBondContact O-N 2.99Å; W382-D386 VanDerWaalsContact O-N 3.1Å |
| 387 | K | 90.6 | Very high | 85.3 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128 | 179.3 | -171.1 | -179.9 | -78.5 | -177.2 | 0 | 109.7 | L379 Y381 F437 | L379-K387 HydrophobicContact CD1-CD 3.59Å; L379-K387 HydrophobicContact CD1-CG 3.45Å; L379-K387 VanDerWaalsContact CD1-CG 3.45Å; Y381-K387 HydrophobicContact CD1-CB 4.42Å; Y381-K387 HydrophobicContact CE1-CB 4.13Å; Y381-K387 HydrophobicContact CE1-CG 4.45Å; K387-F437 HydrophobicContact CD-CB 4.3Å; K387-F437 HydrophobicContact CD-CD1 3.3Å; K387-F437 HydrophobicContact CD-CD2 4.5Å; K387-F437 HydrophobicContact CD-CE1 3.65Å; K387-F437 HydrophobicContact CD-CG 3.77Å; K387-F437 HydrophobicContact CD-CZ 4.4Å; K387-F437 HydrophobicContact CG-CB 3.95Å; K387-F437 HydrophobicContact CG-CD1 3.93Å; K387-F437 HydrophobicContact CG-CG 3.87Å |
| 388 | V | 93.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 158.3 | -175.2 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | G380 W382 I390 Y422 V434 F435 | G380-V388 PolarHBondContact N-O 3.19Å; G380-V388 PolarHBondContact O-N 3.35Å; W382-V388 HydrophobicContact CB-CG1 3.91Å; W382-V388 HydrophobicContact CB-CG2 4.32Å; V388-I390 HydrophobicContact CG2-CD1 4.21Å; V388-I390 HydrophobicContact CG2-CG1 3.89Å; V388-Y422 HydrophobicContact CG1-CD2 3.96Å; V388-Y422 HydrophobicContact CG1-CE2 3.89Å; V388-V434 HydrophobicContact CB-CG1 3.76Å; V388-V434 HydrophobicContact CG1-CG1 3.96Å; V388-V434 HydrophobicContact CG2-CG1 3.95Å; V388-F435 WeakPolarHBondContact CA-O 3.39Å |
| 389 | A | 93.6 | Very high | 83.3 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V377 H378 F435 F437 | V377-A389 HydrophobicContact CG1-CB 4.36Å; H378-A389 CarbonylContact O-C 3.57Å; H378-A389 WeakPolarHBondContact O-CA 3.16Å; A389-F435 HydrophobicContact CB-CB 4.36Å; A389-F435 PolarHBondContact N-O 3Å; A389-F435 PolarHBondContact O-N 2.88Å; A389-F437 HydrophobicContact CB-CD2 4.36Å |
| 390 | I | 92.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 107.2 | -176.7 | -52.6 | 172 | 0 | 0 | 0 | 108.5 | L363 F365 V377 H378 V388 C432 L433 | L363-I390 HydrophobicContact CB-CD1 4.28Å; L363-I390 HydrophobicContact CD2-CD1 4.25Å; F365-I390 HydrophobicContact CD1-CD1 4.31Å; F365-I390 HydrophobicContact CD2-CD1 4.38Å; F365-I390 HydrophobicContact CE1-CB 4.1Å; F365-I390 HydrophobicContact CE1-CD1 4.25Å; F365-I390 HydrophobicContact CE1-CG2 3.57Å; F365-I390 HydrophobicContact CE2-CD1 4.32Å; F365-I390 HydrophobicContact CG-CD1 4.38Å; F365-I390 HydrophobicContact CZ-CB 4.49Å; F365-I390 HydrophobicContact CZ-CD1 4.26Å; F365-I390 HydrophobicContact CZ-CG2 3.61Å; V377-I390 CarbonylContact C-O 3.51Å; V377-I390 WeakPolarHBondContact CA-O 3.36Å; H378-I390 HydrophobicContact CB-CB 4.49Å; H378-I390 PolarHBondContact N-O 3.1Å; H378-I390 PolarHBondContact O-N 3Å; V388-I390 HydrophobicContact CG2-CD1 4.21Å; V388-I390 HydrophobicContact CG2-CG1 3.89Å; I390-C432 HydrophobicContact CG2-CB 3.77Å; I390-C432 VanDerWaalsContact CG2-SG 3.55Å; I390-L433 WeakPolarHBondContact CA-O 3.18Å |
| 391 | K | 89.6 | Confident | 81.3 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 106.5 | 177.7 | -177.8 | 178.3 | 179.8 | -170.8 | 0 | 109.3 | L376 V377 I393 C432 L433 F435 D500 | L376-K391 CarbonylContact O-C 3.46Å; L376-K391 WeakPolarHBondContact O-CA 3.44Å; V377-K391 HydrophobicContact CG2-CB 4.34Å; V377-K391 HydrophobicContact CG2-CG 4.15Å; K391-I393 HydrophobicContact CG-CD1 4.43Å; K391-C432 CarbonylContact O-C 3.49Å; K391-C432 WeakPolarHBondContact O-CA 3.49Å; K391-C432 VanDerWaalsContact O-CB 3.28Å; K391-C432 WeakPolarHBondContact O-CB 3.37Å; K391-L433 HydrophobicContact CB-CB 4.42Å; K391-L433 PolarHBondContact N-O 3.25Å; K391-L433 PolarHBondContact O-N 3.23Å; K391-F435 HydrophobicContact CB-CD2 4.47Å; K391-F435 HydrophobicContact CB-CE2 4.14Å; K391-F435 HydrophobicContact CD-CE2 4.43Å; K391-D500 IonicContact NZ-OD1 3.64Å; K391-D500 PolarHBondContact NZ-OD1 2.87Å |
| 392 | T | 87.9 | Confident | 80.2 | Confident | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.08 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 141.4 | 173.2 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | F365 G375 L376 P430 C432 | F365-T392 HydrophobicContact CE1-CG2 3.91Å; F365-T392 HydrophobicContact CZ-CG2 4.34Å; G375-T392 CarbonylContact C-O 3.55Å; G375-T392 VanDerWaalsContact CA-O 3.27Å; G375-T392 WeakPolarHBondContact CA-O 3.29Å; L376-T392 PolarHBondContact N-O 3.45Å; L376-T392 PolarHBondContact O-N 3.31Å; L376-T392 PolarHBondContact O-OG1 2.89Å; T392-P430 HydrophobicContact CG2-CG 3.97Å; T392-C432 HydrophobicContact CG2-CB 4.08Å |
| 393 | I | 80.9 | Confident | 79.7 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.2 | 177.3 | -53.8 | -56.3 | 0 | 0 | 0 | 109.2 | F374 K391 A397 M398 F403 P430 I431 | F374-I393 WeakPolarHBondContact O-CA 3.3Å; K391-I393 HydrophobicContact CG-CD1 4.43Å; I393-A397 HydrophobicContact CG2-CB 4.14Å; I393-M398 HydrophobicContact CG2-CG 4.02Å; I393-M398 HydrophobicContact CG2-SD 4.11Å; I393-F403 HydrophobicContact CD1-CE2 4.23Å; I393-F403 HydrophobicContact CG1-CD2 3.96Å; I393-F403 HydrophobicContact CG1-CE2 3.58Å; I393-P430 WeakPolarHBondContact O-CB 3.41Å; I393-I431 HydrophobicContact CB-CD1 4.44Å; I393-I431 HydrophobicContact CB-CG1 3.86Å; I393-I431 HydrophobicContact CG1-CG1 4.1Å; I393-I431 PolarHBondContact N-O 3.4Å |
| 394 | R | 76.3 | Confident | 79.3 | Confident | 136 Ų | 136 | 67.2 Ų | 67.2 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 140.6 | 176 | -77.2 | 173.2 | -176 | -172.2 | 4.1 | 110.5 | F374 G396 A397 | F374-R394 PolarHBondContact O-N 3.42Å; R394-G396 PolarHBondContact O-N 2.98Å; R394-A397 HydrophobicContact CB-CB 4.29Å; R394-A397 WeakPolarHBondContact O-CB 3.47Å; R394-A397 PolarHBondContact O-N 3.27Å |
| 395 | E | 74.8 | Confident | 79 | Confident | 202 Ų | 202 | 66.6 Ų | 66.6 | 94% | 0.944 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 130.7 | 174 | -165.3 | 176.6 | -176.1 | 0 | 0 | 110.5 | A397 | E395-A397 VanDerWaalsContact C-N 3.31Å; E395-A397 PolarHBondContact O-N 3.32Å |
| 396 | G | 68.7 | Low | 78.5 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 80% | 0.804 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 3.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R394 | R394-G396 PolarHBondContact O-N 2.98Š|
| 397 | A | 67.1 | Low | 78.3 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -72.1 | -33.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I393 R394 E395 | I393-A397 HydrophobicContact CG2-CB 4.14Å; R394-A397 HydrophobicContact CB-CB 4.29Å; R394-A397 WeakPolarHBondContact O-CB 3.47Å; R394-A397 PolarHBondContact O-N 3.27Å; E395-A397 VanDerWaalsContact C-N 3.31Å; E395-A397 PolarHBondContact O-N 3.32Å |
| 398 | M | 69.1 | Low | 77.6 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -157.7 | 161.2 | 176.8 | 63.7 | -165.7 | -52.8 | 0 | 0 | 110.2 | I393 D402 F403 E406 | I393-M398 HydrophobicContact CG2-CG 4.02Å; I393-M398 HydrophobicContact CG2-SD 4.11Å; M398-D402 HydrophobicContact CE-CB 4.31Å; M398-F403 HydrophobicContact CE-CB 3.8Å; M398-F403 HydrophobicContact CE-CD2 4.32Å; M398-F403 HydrophobicContact CG-CB 4.2Å; M398-F403 HydrophobicContact SD-CB 3.96Å; M398-F403 HydrophobicContact SD-CD2 3.75Å; M398-F403 HydrophobicContact SD-CG 4.36Å; M398-E406 WeakPolarHBondContact CE-OE2 3.2Å |
| 399 | S | 72.6 | Confident | 76.7 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | trans | -72.9 | 158.1 | 170.7 | 64.3 | 0 | 0 | 0 | 0 | 110.8 | E401 D402 F403 | S399-E401 VanDerWaalsContact C-N 3.29Å; S399-D402 VanDerWaalsContact OG-CB 3.26Å; S399-D402 WeakPolarHBondContact OG-CB 3.43Å; S399-D402 PolarHBondContact OG-N 2.91Å; S399-D402 VanDerWaalsContact OG-N 3.12Å; S399-D402 PolarHBondContact OG-OD2 2.7Å; S399-F403 WeakPolarHBondContact O-CB 3.37Å; S399-F403 PolarHBondContact O-N 2.85Å | ||
| 400 | E | 73.2 | Confident | 76 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 176.4 | -170.7 | 176.1 | 171 | 0 | 0 | 111.1 | F403 I404 | E400-F403 WeakPolarHBondContact O-CB 3.45Å; E400-F403 PolarHBondContact O-N 3.33Å; E400-I404 HydrophobicContact CG-CD1 4.14Å; E400-I404 WeakPolarHBondContact O-CG1 3.27Å; E400-I404 PolarHBondContact O-N 2.86Å |
| 401 | E | 72.7 | Confident | 75.2 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.6 | -47.9 | 176 | -61.7 | 83.1 | -178.4 | 0 | 0 | 112.1 | S399 F403 I404 E405 | S399-E401 VanDerWaalsContact C-N 3.29Å; E401-F403 PolarHBondContact O-N 3.27Å; E401-I404 PolarHBondContact O-N 3.03Å; E401-E405 PolarHBondContact O-N 3.49Å |
| 402 | D | 70.4 | Confident | 74.6 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 35% | 0.353 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.7 | -76.5 | -26.7 | 0 | 0 | 0 | 110.7 | M398 S399 E406 | M398-D402 HydrophobicContact CE-CB 4.31Å; S399-D402 VanDerWaalsContact OG-CB 3.26Å; S399-D402 WeakPolarHBondContact OG-CB 3.43Å; S399-D402 PolarHBondContact OG-N 2.91Å; S399-D402 VanDerWaalsContact OG-N 3.12Å; S399-D402 PolarHBondContact OG-OD2 2.7Å; D402-E406 WeakPolarHBondContact O-CB 3.17Å; D402-E406 VanDerWaalsContact O-CG 3.3Å; D402-E406 WeakPolarHBondContact O-CG 3.38Å; D402-E406 PolarHBondContact O-N 3Å |
| 403 | F | 74.9 | Confident | 74.3 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.022 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 177 | 174.2 | -92.8 | 0 | 0 | 0 | 112.1 | I393 M398 S399 E400 E401 E406 A407 V424 L426 I431 L433 | I393-F403 HydrophobicContact CD1-CE2 4.23Å; I393-F403 HydrophobicContact CG1-CD2 3.96Å; I393-F403 HydrophobicContact CG1-CE2 3.58Å; M398-F403 HydrophobicContact CE-CB 3.8Å; M398-F403 HydrophobicContact CE-CD2 4.32Å; M398-F403 HydrophobicContact CG-CB 4.2Å; M398-F403 HydrophobicContact SD-CB 3.96Å; M398-F403 HydrophobicContact SD-CD2 3.75Å; M398-F403 HydrophobicContact SD-CG 4.36Å; S399-F403 WeakPolarHBondContact O-CB 3.37Å; S399-F403 PolarHBondContact O-N 2.85Å; E400-F403 WeakPolarHBondContact O-CB 3.45Å; E400-F403 PolarHBondContact O-N 3.33Å; E401-F403 PolarHBondContact O-N 3.27Å; F403-E406 PolarHBondContact O-N 3.43Å; F403-A407 VanDerWaalsContact O-CB 3.25Å; F403-A407 WeakPolarHBondContact O-CB 3.48Å; F403-A407 PolarHBondContact O-N 2.91Å; F403-V424 HydrophobicContact CE1-CB 4Å; F403-V424 HydrophobicContact CE1-CG1 4.14Å; F403-V424 HydrophobicContact CE1-CG2 4.38Å; F403-V424 HydrophobicContact CZ-CB 4.2Å; F403-V424 HydrophobicContact CZ-CG1 4.27Å; F403-L426 HydrophobicContact CD1-CD2 3.93Å; F403-L426 HydrophobicContact CE1-CD2 3.64Å; F403-I431 HydrophobicContact CB-CD1 4.12Å; F403-I431 HydrophobicContact CD1-CD1 3.69Å; F403-I431 HydrophobicContact CD2-CD1 3.82Å; F403-I431 HydrophobicContact CE1-CD1 3.98Å; F403-I431 HydrophobicContact CE2-CD1 4.09Å; F403-I431 HydrophobicContact CE2-CG1 4.38Å; F403-I431 HydrophobicContact CG-CD1 3.59Å; F403-I431 HydrophobicContact CZ-CD1 4.15Å; F403-I431 HydrophobicContact CZ-CG1 4.35Å; F403-L433 HydrophobicContact CE1-CD2 4.28Å; F403-L433 HydrophobicContact CE2-CD1 4.01Å; F403-L433 HydrophobicContact CE2-CD2 3.59Å; F403-L433 HydrophobicContact CE2-CG 3.59Å; F403-L433 HydrophobicContact CZ-CD2 3.34Å; F403-L433 HydrophobicContact CZ-CG 3.7Å |
| 404 | I | 75.1 | Confident | 74.4 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -46 | 179.1 | -69.5 | 167.3 | 0 | 0 | 0 | 110.1 | W356 E400 E401 E406 A407 E408 L426 | W356-I404 HydrophobicContact CH2-CG2 3.95Å; E400-I404 HydrophobicContact CG-CD1 4.14Å; E400-I404 WeakPolarHBondContact O-CG1 3.27Å; E400-I404 PolarHBondContact O-N 2.86Å; E401-I404 PolarHBondContact O-N 3.03Å; I404-E406 PolarHBondContact O-N 2.93Å; I404-A407 PolarHBondContact O-N 2.86Å; I404-E408 HydrophobicContact CG2-CG 4.42Å; I404-E408 WeakPolarHBondContact O-CG 3.46Å; I404-E408 PolarHBondContact O-N 3.39Å; I404-L426 HydrophobicContact CD1-CD1 4.06Å; I404-L426 HydrophobicContact CG1-CD1 4.27Å; I404-L426 HydrophobicContact CG1-CD2 4.26Å |
| 405 | E | 72.4 | Confident | 74.7 | Confident | 116 Ų | 116 | 60.7 Ų | 60.7 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.7 | -74.4 | -172.8 | -178.7 | 0 | 0 | 112.1 | E401 E408 V409 | E401-E405 PolarHBondContact O-N 3.49Å; E405-E408 PolarHBondContact O-N 2.83Å; E405-V409 WeakPolarHBondContact O-CG2 3.47Å; E405-V409 PolarHBondContact O-N 3.09Å |
| 406 | E | 71.6 | Confident | 75.1 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | 176.7 | -74.7 | -175.6 | 180 | 0 | 0 | 111.7 | M398 D402 F403 I404 E408 V409 M410 R505 | M398-E406 WeakPolarHBondContact CE-OE2 3.2Å; D402-E406 WeakPolarHBondContact O-CB 3.17Å; D402-E406 VanDerWaalsContact O-CG 3.3Å; D402-E406 WeakPolarHBondContact O-CG 3.38Å; D402-E406 PolarHBondContact O-N 3Å; F403-E406 PolarHBondContact O-N 3.43Å; I404-E406 PolarHBondContact O-N 2.93Å; E406-E408 PolarHBondContact O-N 2.95Å; E406-V409 PolarHBondContact O-N 2.69Å; E406-M410 VanDerWaalsContact O-CG 3.28Å; E406-M410 WeakPolarHBondContact O-CG 3.21Å; E406-M410 PolarHBondContact O-N 2.91Å; E406-R505 IonicContact OE1-CZ 3.24Å; E406-R505 VanDerWaalsContact OE1-CZ 3.24Å; E406-R505 IonicContact OE1-NE 3.23Å; E406-R505 PolarHBondContact OE1-NE 3.06Å; E406-R505 IonicContact OE1-NH2 2.72Å; E406-R505 PolarHBondContact OE1-NH2 3.28Å |
| 407 | A | 77.1 | Confident | 76.3 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F403 I404 V409 M410 M411 V424 L433 | F403-A407 VanDerWaalsContact O-CB 3.25Å; F403-A407 WeakPolarHBondContact O-CB 3.48Å; F403-A407 PolarHBondContact O-N 2.91Å; I404-A407 PolarHBondContact O-N 2.86Å; A407-V409 VanDerWaalsContact C-N 3.34Å; A407-V409 PolarHBondContact O-N 3.12Å; A407-M410 PolarHBondContact O-N 3.26Å; A407-M411 WeakPolarHBondContact O-CB 3.4Å; A407-M411 WeakPolarHBondContact O-CG 3.27Å; A407-M411 PolarHBondContact O-N 2.66Å; A407-V424 HydrophobicContact CB-CG1 3.63Å; A407-L433 HydrophobicContact CB-CD2 4.25Å |
| 408 | E | 76.4 | Confident | 77.5 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 177.1 | -77.9 | -171.2 | 170.9 | 0 | 0 | 112.7 | I404 E405 E406 K412 | I404-E408 HydrophobicContact CG2-CG 4.42Å; I404-E408 WeakPolarHBondContact O-CG 3.46Å; I404-E408 PolarHBondContact O-N 3.39Å; E405-E408 PolarHBondContact O-N 2.83Å; E406-E408 PolarHBondContact O-N 2.95Å; E408-K412 WeakPolarHBondContact O-CG 3.24Å; E408-K412 PolarHBondContact O-N 2.92Å |
| 409 | V | 74.8 | Confident | 78.6 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -48.1 | 173.4 | 173.4 | 0 | 0 | 0 | 0 | 109.8 | E405 E406 A407 M411 K412 V478 F506 | E405-V409 WeakPolarHBondContact O-CG2 3.47Å; E405-V409 PolarHBondContact O-N 3.09Å; E406-V409 PolarHBondContact O-N 2.69Å; A407-V409 VanDerWaalsContact C-N 3.34Å; A407-V409 PolarHBondContact O-N 3.12Å; V409-M411 VanDerWaalsContact C-N 3.33Å; V409-M411 PolarHBondContact O-N 3.47Å; V409-K412 WeakPolarHBondContact O-CB 3.5Å; V409-K412 PolarHBondContact O-N 3.32Å; V409-K412 VanDerWaalsContact O-N 3.15Å; V409-V478 HydrophobicContact CG1-CG2 4.42Å; V409-F506 HydrophobicContact CG1-CB 4.13Å; V409-F506 HydrophobicContact CG2-CB 4.17Å |
| 410 | M | 77.4 | Confident | 79.3 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 5% | 0.054 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -37.1 | -179.9 | -69.5 | 174.9 | 62.7 | 0 | 0 | 113.1 | E406 A407 K412 L413 L421 F435 F501 | E406-M410 VanDerWaalsContact O-CG 3.28Å; E406-M410 WeakPolarHBondContact O-CG 3.21Å; E406-M410 PolarHBondContact O-N 2.91Å; A407-M410 PolarHBondContact O-N 3.26Å; M410-K412 PolarHBondContact O-N 3.49Å; M410-L413 WeakPolarHBondContact O-CB 3.46Å; M410-L413 PolarHBondContact O-N 2.93Å; M410-L421 HydrophobicContact CB-CD2 3.7Å; M410-L421 HydrophobicContact CE-CD2 4.24Å; M410-F435 HydrophobicContact CE-CE1 3.51Å; M410-F435 HydrophobicContact CE-CZ 3.57Å; M410-F501 HydrophobicContact CE-CB 3.62Å; M410-F501 HydrophobicContact CE-CD2 3.51Å; M410-F501 HydrophobicContact CE-CG 3.98Å; M410-F501 HydrophobicContact CG-CB 3.74Å; M410-F501 HydrophobicContact CG-CD2 4.47Å; M410-F501 HydrophobicContact CG-CG 4.24Å; M410-F501 HydrophobicContact SD-CB 3.59Å; M410-F501 VanDerWaalsContact SD-CB 3.59Å; M410-F501 HydrophobicContact SD-CG 4.44Å |
| 411 | M | 77.1 | Confident | 80 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -27.8 | 177.1 | -75.5 | -63.4 | -60.3 | 0 | 0 | 112.6 | G350 W356 A407 V409 L413 L421 | G350-M411 VanDerWaalsContact CA-CE 3.42Å; W356-M411 HydrophobicContact CB-CE 3.48Å; W356-M411 VanDerWaalsContact CB-CE 3.48Å; W356-M411 HydrophobicContact CB-CG 4.42Å; W356-M411 HydrophobicContact CB-SD 4.18Å; A407-M411 WeakPolarHBondContact O-CB 3.4Å; A407-M411 WeakPolarHBondContact O-CG 3.27Å; A407-M411 PolarHBondContact O-N 2.66Å; V409-M411 VanDerWaalsContact C-N 3.33Å; V409-M411 PolarHBondContact O-N 3.47Å; M411-L413 VanDerWaalsContact C-N 3.26Å; M411-L421 HydrophobicContact CG-CD2 3.79Å; M411-L421 HydrophobicContact SD-CB 4.28Å; M411-L421 HydrophobicContact SD-CD2 3.65Å; M411-L421 HydrophobicContact SD-CG 3.71Å |
| 412 | K | 76.1 | Confident | 80.6 | Confident | 133 Ų | 133 | 37.6 Ų | 37.6 | 58% | 0.578 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -6.6 | 175.3 | -66.5 | 168.1 | -173.6 | 167.4 | 0 | 112.9 | H207 E408 V409 M410 | H207-K412 PolarHBondContact NE2-O 3.21Å; E408-K412 WeakPolarHBondContact O-CG 3.24Å; E408-K412 PolarHBondContact O-N 2.92Å; V409-K412 WeakPolarHBondContact O-CB 3.5Å; V409-K412 PolarHBondContact O-N 3.32Å; V409-K412 VanDerWaalsContact O-N 3.15Å; M410-K412 PolarHBondContact O-N 3.49Å |
| 413 | L | 80.9 | Confident | 81.3 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | trans | -95.3 | 121.8 | 177.9 | -57.7 | 174.3 | 0 | 0 | 0 | 109.3 | M410 M411 L418 Q420 Y472 L473 A476 V478 F501 | M410-L413 WeakPolarHBondContact O-CB 3.46Å; M410-L413 PolarHBondContact O-N 2.93Å; M411-L413 VanDerWaalsContact C-N 3.26Å; L413-L418 HydrophobicContact CB-CD1 4.29Å; L413-Q420 PolarHBondContact O-NE2 2.95Å; L413-Y472 HydrophobicContact CB-CE1 4.22Å; L413-Y472 HydrophobicContact CD2-CE1 3.86Å; L413-L473 HydrophobicContact CD1-CD2 3.76Å; L413-L473 HydrophobicContact CD2-CD2 4.21Å; L413-A476 HydrophobicContact CD2-CB 4.15Å; L413-V478 HydrophobicContact CD1-CG1 4.22Å; L413-V478 HydrophobicContact CD2-CG2 4.1Å; L413-F501 HydrophobicContact CD1-CE1 4.41Å | ||
| 414 | S | 83.1 | Confident | 81.9 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 19% | 0.189 | 17% | 0.172 | C | C | . | . | trans | -142.2 | 118.8 | 170.5 | -163 | 0 | 0 | 0 | 0 | 110.4 | H207 Q420 Y472 | H207-S414 WeakPolarHBondContact CE1-CB 3.33Å; S414-Q420 PolarHBondContact OG-OE1 3.14Å; S414-Y472 PolarHBondContact N-OH 3.46Å; S414-Y472 VanDerWaalsContact N-OH 3.11Å; S414-Y472 PolarHBondContact O-OH 3.24Å | ||
| 415 | H | 83.6 | Confident | 82.6 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 15% | 0.148 | 16% | 0.161 | C | C | . | . | trans | -157.1 | 141.8 | -178.6 | -176.9 | -93.9 | 0 | 0 | 0 | 109.9 | K417 L418 Y472 | H415-K417 WeakPolarHBondContact ND1-CB 3.39Å; H415-K417 PolarHBondContact ND1-N 3.46Å; H415-K417 PolarHBondContact O-N 3.4Å; H415-L418 HydrophobicContact CB-CB 4.26Å; H415-L418 HydrophobicContact CB-CD1 4.02Å; H415-L418 HydrophobicContact CB-CG 3.9Å; H415-L418 PolarHBondContact O-N 3.2Å; H415-Y472 HydrophobicContact CB-CD1 3.75Å; H415-Y472 HydrophobicContact CB-CD2 4.23Å; H415-Y472 HydrophobicContact CB-CE1 3.95Å; H415-Y472 HydrophobicContact CB-CE2 4.43Å; H415-Y472 HydrophobicContact CB-CG 3.88Å; H415-Y472 AromaticContact CD2-CD2 3.87Å; H415-Y472 AromaticContact CD2-CG 3.82Å; H415-Y472 AromaticContact CG-CG 3.88Å | ||
| 416 | P | 84.1 | Confident | 83.1 | Confident | 89 Ų | 89 | 28.5 Ų | 28.5 | 58% | 0.578 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.9 | -177.8 | -27.1 | 35.6 | 0 | 0 | 0 | 115.8 | K497 | P416-K497 WeakPolarHBondContact O-CE 3.42Š|
| 417 | K | 93 | Very high | 83.4 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 12.7 | 178.6 | -51.9 | -61.1 | -179.4 | 177.6 | 0 | 114 | H415 D465 E468 V495 K497 V498 | H415-K417 WeakPolarHBondContact ND1-CB 3.39Å; H415-K417 PolarHBondContact ND1-N 3.46Å; H415-K417 PolarHBondContact O-N 3.4Å; K417-D465 VanDerWaalsContact CB-O 3.27Å; K417-D465 WeakPolarHBondContact CB-O 3.35Å; K417-D465 HydrophobicContact CD-CB 3.93Å; K417-D465 VanDerWaalsContact CE-OD1 3.27Å; K417-D465 WeakPolarHBondContact CE-OD1 3.23Å; K417-D465 WeakPolarHBondContact CG-O 3.46Å; K417-D465 IonicContact NZ-OD1 2.68Å; K417-D465 PolarHBondContact NZ-OD1 2.99Å; K417-D465 IonicContact NZ-OD2 2.64Å; K417-D465 PolarHBondContact NZ-OD2 3.08Å; K417-E468 WeakPolarHBondContact CE-OE2 3.27Å; K417-E468 HydrophobicContact CG-CB 4.1Å; K417-E468 HydrophobicContact CG-CG 4.27Å; K417-E468 WeakPolarHBondContact CG-OE2 3.35Å; K417-V495 HydrophobicContact CD-CG1 4.29Å; K417-K497 CarbonylContact O-C 3.51Å; K417-K497 VanDerWaalsContact O-CA 3.29Å; K417-K497 WeakPolarHBondContact O-CA 3.31Å; K417-V498 PolarHBondContact O-N 3.13Å |
| 418 | L | 91.9 | Very high | 83.1 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -116 | 141.2 | 171 | -64.2 | -171.6 | 0 | 0 | 0 | 108.8 | L413 H415 Q420 Y472 L473 V498 F501 | L413-L418 HydrophobicContact CB-CD1 4.29Å; H415-L418 HydrophobicContact CB-CB 4.26Å; H415-L418 HydrophobicContact CB-CD1 4.02Å; H415-L418 HydrophobicContact CB-CG 3.9Å; H415-L418 PolarHBondContact O-N 3.2Å; L418-Q420 PolarHBondContact O-N 3.09Å; L418-Y472 HydrophobicContact CD1-CD1 3.52Å; L418-Y472 HydrophobicContact CD1-CE1 3.69Å; L418-Y472 HydrophobicContact CG-CD1 4.44Å; L418-L473 HydrophobicContact CD1-CD2 3.6Å; L418-L473 HydrophobicContact CD1-CG 4.16Å; L418-L473 HydrophobicContact CD2-CD1 4.21Å; L418-L473 HydrophobicContact CD2-CD2 4.42Å; L418-L473 HydrophobicContact CD2-CG 4.2Å; L418-V498 HydrophobicContact CD2-CB 3.75Å; L418-V498 HydrophobicContact CD2-CG1 4.47Å; L418-V498 HydrophobicContact CD2-CG2 4.34Å; L418-F501 HydrophobicContact CB-CZ 4.05Å; L418-F501 HydrophobicContact CD1-CE1 4.41Å; L418-F501 HydrophobicContact CD1-CZ 4.11Å; L418-F501 HydrophobicContact CD2-CE1 4.26Å; L418-F501 HydrophobicContact CD2-CZ 3.97Å; L418-F501 HydrophobicContact CG-CZ 4.25Å |
| 419 | V | 91.4 | Very high | 83 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 116.9 | 174.1 | 175 | 0 | 0 | 0 | 0 | 108.5 | L421 F435 E436 M438 L489 K497 V498 | V419-L421 PolarHBondContact O-N 2.84Å; V419-F435 HydrophobicContact CG1-CB 4.08Å; V419-F435 HydrophobicContact CG1-CD1 3.99Å; V419-F435 HydrophobicContact CG1-CG 4.35Å; V419-E436 WeakPolarHBondContact CA-OE1 3.44Å; V419-E436 HydrophobicContact CG1-CG 3.87Å; V419-M438 HydrophobicContact CG2-CG 4.32Å; V419-L489 HydrophobicContact CG2-CB 4.27Å; V419-L489 HydrophobicContact CG2-CD1 4Å; V419-L489 HydrophobicContact CG2-CG 4.3Å; V419-K497 HydrophobicContact CG2-CB 3.61Å; V419-K497 HydrophobicContact CG2-CD 4.47Å; V419-V498 PolarHBondContact N-O 3.14Å |
| 420 | Q | 87.9 | Confident | 83.1 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 125 | -175.1 | -170.7 | 59.4 | 63.4 | 0 | 0 | 111.1 | V347 L413 S414 L418 F435 E436 | V347-Q420 HydrophobicContact CB-CB 4.2Å; V347-Q420 HydrophobicContact CB-CG 4.17Å; V347-Q420 HydrophobicContact CG1-CB 3.79Å; V347-Q420 HydrophobicContact CG1-CG 3.59Å; L413-Q420 PolarHBondContact O-NE2 2.95Å; S414-Q420 PolarHBondContact OG-OE1 3.14Å; L418-Q420 PolarHBondContact O-N 3.09Å; Q420-F435 WeakPolarHBondContact O-CA 3.12Å; Q420-E436 HydrophobicContact CB-CG 4.36Å; Q420-E436 PolarHBondContact N-OE1 3.35Å; Q420-E436 PolarHBondContact O-N 3.28Å |
| 421 | L | 87.4 | Confident | 83.5 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 126 | 164.1 | -178.2 | 67.8 | 0 | 0 | 0 | 108.5 | M410 M411 V419 G423 L433 V434 F435 | M410-L421 HydrophobicContact CB-CD2 3.7Å; M410-L421 HydrophobicContact CE-CD2 4.24Å; M411-L421 HydrophobicContact CG-CD2 3.79Å; M411-L421 HydrophobicContact SD-CB 4.28Å; M411-L421 HydrophobicContact SD-CD2 3.65Å; M411-L421 HydrophobicContact SD-CG 3.71Å; V419-L421 PolarHBondContact O-N 2.84Å; L421-G423 WeakPolarHBondContact CD1-O 3.3Å; L421-L433 HydrophobicContact CD1-CB 3.91Å; L421-L433 HydrophobicContact CD1-CD2 3.97Å; L421-L433 HydrophobicContact CD1-CG 4.47Å; L421-L433 HydrophobicContact CD2-CD2 4.43Å; L421-V434 WeakPolarHBondContact CD1-O 3.31Å; L421-F435 HydrophobicContact CB-CD1 4.05Å; L421-F435 HydrophobicContact CB-CE1 3.86Å; L421-F435 HydrophobicContact CD1-CD1 3.92Å; L421-F435 HydrophobicContact CD1-CD2 4.43Å; L421-F435 HydrophobicContact CD1-CE1 3.58Å; L421-F435 HydrophobicContact CD1-CE2 4.15Å; L421-F435 HydrophobicContact CD1-CG 4.33Å; L421-F435 HydrophobicContact CD1-CZ 3.7Å; L421-F435 HydrophobicContact CG-CE1 4.28Å |
| 422 | Y | 85 | Confident | 84.1 | Confident | 37 Ų | 37 | 40.6 Ų | 40.6 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -41.4 | 175.1 | -71.8 | -48.1 | 0 | 0 | 0 | 112 | V347 L351 V388 V434 F435 E436 | V347-Y422 HydrophobicContact CB-CE1 4.5Å; V347-Y422 HydrophobicContact CG1-CD1 4.01Å; V347-Y422 HydrophobicContact CG1-CE1 3.02Å; V347-Y422 VanDerWaalsContact CG1-CZ 3.48Å; V347-Y422 VanDerWaalsContact CG1-OH 3.28Å; V347-Y422 WeakPolarHBondContact CG1-OH 3.38Å; L351-Y422 HydrophobicContact CD2-CD1 3.68Å; L351-Y422 HydrophobicContact CD2-CE1 4.4Å; L351-Y422 HydrophobicContact CD2-CG 3.81Å; L351-Y422 HydrophobicContact CG-CG 4.49Å; L351-Y422 WeakPolarHBondContact CG-O 3.28Å; L351-Y422 PolarHBondContact N-O 2.88Å; V388-Y422 HydrophobicContact CG1-CD2 3.96Å; V388-Y422 HydrophobicContact CG1-CE2 3.89Å; Y422-V434 WeakPolarHBondContact CB-O 3.29Å; Y422-V434 HydrophobicContact CD2-CG1 4.26Å; Y422-V434 PolarHBondContact N-O 2.84Å; Y422-F435 VanDerWaalsContact CD2-C 3.42Å; Y422-E436 VanDerWaalsContact CE2-CA 3.46Å; Y422-E436 HydrophobicContact CE2-CB 4.03Å; Y422-E436 VanDerWaalsContact CE2-N 3.34Å |
| 423 | G | 87 | Confident | 84.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | -172.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | W356 L421 V434 | W356-G423 CarbonylContact O-C 3.06Å; W356-G423 WeakPolarHBondContact O-CA 3.49Å; L421-G423 WeakPolarHBondContact CD1-O 3.3Å; G423-V434 PolarHBondContact N-O 3.48Å; G423-V434 PolarHBondContact O-N 2.98Å |
| 424 | V | 87.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 156.2 | -179.9 | -42.4 | 0 | 0 | 0 | 0 | 110.2 | W356 V357 I358 F403 A407 L426 C432 L433 | W356-V424 HydrophobicContact CE3-CB 4.45Å; W356-V424 HydrophobicContact CE3-CG1 4.12Å; W356-V424 HydrophobicContact CE3-CG2 3.56Å; W356-V424 HydrophobicContact CZ3-CG1 4.27Å; W356-V424 HydrophobicContact CZ3-CG2 3.41Å; W356-V424 VanDerWaalsContact CZ3-CG2 3.41Å; W356-V424 PolarHBondContact O-N 3.49Å; V357-V424 CarbonylContact C-O 3.58Å; V357-V424 WeakPolarHBondContact CA-O 3.41Å; I358-V424 PolarHBondContact N-O 3.05Å; F403-V424 HydrophobicContact CE1-CB 4Å; F403-V424 HydrophobicContact CE1-CG1 4.14Å; F403-V424 HydrophobicContact CE1-CG2 4.38Å; F403-V424 HydrophobicContact CZ-CB 4.2Å; F403-V424 HydrophobicContact CZ-CG1 4.27Å; A407-V424 HydrophobicContact CB-CG1 3.63Å; V424-L426 HydrophobicContact CG2-CD1 4.3Å; V424-L426 HydrophobicContact CG2-CD2 3.89Å; V424-L426 HydrophobicContact CG2-CG 3.77Å; V424-C432 CarbonylContact C-O 3.57Å; V424-C432 VanDerWaalsContact CA-O 3.29Å; V424-C432 WeakPolarHBondContact CA-O 3.34Å; V424-L433 HydrophobicContact CB-CD2 4.31Å; V424-L433 HydrophobicContact CG1-CD2 3.56Å |
| 425 | C | 88.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113.5 | 168.5 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | I358 P360 L363 I431 C432 | I358-C425 PolarHBondContact O-SG 2.91Å; P360-C425 VanDerWaalsContact CG-SG 3.53Å; L363-C425 HydrophobicContact CD1-CB 4.17Å; C425-I431 WeakPolarHBondContact O-CA 3.36Å; C425-C432 WeakPolarHBondContact CB-SG 3.48Å; C425-C432 PolarHBondContact N-O 3.27Å; C425-C432 PolarHBondContact O-N 3.16Å; C425-C432 VanDerWaalsContact O-N 3.07Å |
| 426 | L | 83 | Confident | 85.8 | Confident | 39 Ų | 39 | 33.1 Ų | 33.1 | 20% | 0.204 | 19% | 0.186 | C | C | . | . | trans | -99.2 | -27.6 | -178.1 | -58.9 | 176.7 | 0 | 0 | 0 | 112.5 | V357 F403 I404 V424 Q428 | V357-L426 HydrophobicContact CG2-CD1 4.45Å; F403-L426 HydrophobicContact CD1-CD2 3.93Å; F403-L426 HydrophobicContact CE1-CD2 3.64Å; I404-L426 HydrophobicContact CD1-CD1 4.06Å; I404-L426 HydrophobicContact CG1-CD1 4.27Å; I404-L426 HydrophobicContact CG1-CD2 4.26Å; V424-L426 HydrophobicContact CG2-CD1 4.3Å; V424-L426 HydrophobicContact CG2-CD2 3.89Å; V424-L426 HydrophobicContact CG2-CG 3.77Å; L426-Q428 VanDerWaalsContact C-N 3.26Å; L426-Q428 PolarHBondContact O-N 2.92Å | ||
| 427 | E | 77.6 | Confident | 86.1 | Confident | 151 Ų | 151 | 30.6 Ų | 30.6 | 71% | 0.706 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -78.2 | -6.8 | -170.2 | -61.1 | -174.3 | -178.3 | 0 | 0 | 114.2 | P360 | P360-E427 HydrophobicContact CG-CB 4.02Š|
| 428 | Q | 71.7 | Confident | 86.2 | Confident | 88 Ų | 88 | 30 Ų | 30 | 41% | 0.411 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -121.5 | 131 | 176.8 | -176.2 | 173.1 | 41.5 | 0 | 0 | 110.5 | P360 L426 P430 I431 | P360-Q428 HydrophobicContact CB-CB 3.96Å; P360-Q428 HydrophobicContact CG-CB 3.79Å; L426-Q428 VanDerWaalsContact C-N 3.26Å; L426-Q428 PolarHBondContact O-N 2.92Å; Q428-P430 CarbonylContact O-C 3.54Å; Q428-P430 VanDerWaalsContact O-O 3.09Å; Q428-I431 WeakPolarHBondContact O-CA 3.35Å; Q428-I431 PolarHBondContact O-N 2.89Å |
| 429 | A | 73.4 | Confident | 86.1 | Confident | 96 Ų | 96 | 33.8 Ų | 33.8 | 79% | 0.793 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -88.5 | 132 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 430 | P | 78.2 | Confident | 86.1 | Confident | 68 Ų | 68 | 37.9 Ų | 37.9 | 44% | 0.442 | 20% | 0.2 | S | C | . | . | S | Bend | cis | -72.5 | 141.2 | -4.2 | 29 | -33.5 | 0 | 0 | 0 | 113 | T392 I393 Q428 | T392-P430 HydrophobicContact CG2-CG 3.97Å; I393-P430 WeakPolarHBondContact O-CB 3.41Å; Q428-P430 CarbonylContact O-C 3.54Å; Q428-P430 VanDerWaalsContact O-O 3.09Å |
| 431 | I | 86.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 148.6 | 173.7 | 65.7 | 179.9 | 0 | 0 | 0 | 110 | I393 F403 C425 Q428 | I393-I431 HydrophobicContact CB-CD1 4.44Å; I393-I431 HydrophobicContact CB-CG1 3.86Å; I393-I431 HydrophobicContact CG1-CG1 4.1Å; I393-I431 PolarHBondContact N-O 3.4Å; F403-I431 HydrophobicContact CB-CD1 4.12Å; F403-I431 HydrophobicContact CD1-CD1 3.69Å; F403-I431 HydrophobicContact CD2-CD1 3.82Å; F403-I431 HydrophobicContact CE1-CD1 3.98Å; F403-I431 HydrophobicContact CE2-CD1 4.09Å; F403-I431 HydrophobicContact CE2-CG1 4.38Å; F403-I431 HydrophobicContact CG-CD1 3.59Å; F403-I431 HydrophobicContact CZ-CD1 4.15Å; F403-I431 HydrophobicContact CZ-CG1 4.35Å; C425-I431 WeakPolarHBondContact O-CA 3.36Å; Q428-I431 WeakPolarHBondContact O-CA 3.35Å; Q428-I431 PolarHBondContact O-N 2.89Å |
| 432 | C | 88 | Confident | 86.7 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.7 | -177.6 | 71.6 | 0 | 0 | 0 | 0 | 114.8 | I390 K391 T392 V424 C425 | I390-C432 HydrophobicContact CG2-CB 3.77Å; I390-C432 VanDerWaalsContact CG2-SG 3.55Å; K391-C432 CarbonylContact O-C 3.49Å; K391-C432 WeakPolarHBondContact O-CA 3.49Å; K391-C432 VanDerWaalsContact O-CB 3.28Å; K391-C432 WeakPolarHBondContact O-CB 3.37Å; T392-C432 HydrophobicContact CG2-CB 4.08Å; V424-C432 CarbonylContact C-O 3.57Å; V424-C432 VanDerWaalsContact CA-O 3.29Å; V424-C432 WeakPolarHBondContact CA-O 3.34Å; C425-C432 WeakPolarHBondContact CB-SG 3.48Å; C425-C432 PolarHBondContact N-O 3.27Å; C425-C432 PolarHBondContact O-N 3.16Å; C425-C432 VanDerWaalsContact O-N 3.07Å |
| 433 | L | 88.3 | Confident | 87.3 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.1 | 171 | -62.9 | 169.2 | 0 | 0 | 0 | 108.6 | I390 K391 F403 A407 L421 V424 F435 | I390-L433 WeakPolarHBondContact CA-O 3.18Å; K391-L433 HydrophobicContact CB-CB 4.42Å; K391-L433 PolarHBondContact N-O 3.25Å; K391-L433 PolarHBondContact O-N 3.23Å; F403-L433 HydrophobicContact CE1-CD2 4.28Å; F403-L433 HydrophobicContact CE2-CD1 4.01Å; F403-L433 HydrophobicContact CE2-CD2 3.59Å; F403-L433 HydrophobicContact CE2-CG 3.59Å; F403-L433 HydrophobicContact CZ-CD2 3.34Å; F403-L433 HydrophobicContact CZ-CG 3.7Å; A407-L433 HydrophobicContact CB-CD2 4.25Å; L421-L433 HydrophobicContact CD1-CB 3.91Å; L421-L433 HydrophobicContact CD1-CD2 3.97Å; L421-L433 HydrophobicContact CD1-CG 4.47Å; L421-L433 HydrophobicContact CD2-CD2 4.43Å; V424-L433 HydrophobicContact CB-CD2 4.31Å; V424-L433 HydrophobicContact CG1-CD2 3.56Å; L433-F435 HydrophobicContact CB-CD2 4.1Å; L433-F435 HydrophobicContact CB-CE2 3.34Å; L433-F435 HydrophobicContact CB-CZ 3.86Å; L433-F435 HydrophobicContact CD1-CE2 4.01Å; L433-F435 HydrophobicContact CD1-CZ 3.91Å; L433-F435 HydrophobicContact CG-CE2 4.3Å; L433-F435 HydrophobicContact CG-CZ 4.46Å |
| 434 | V | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.4 | -179.8 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | I358 L363 V388 L421 Y422 G423 | I358-V434 HydrophobicContact CD1-CB 3.64Å; I358-V434 HydrophobicContact CD1-CG1 4.15Å; I358-V434 HydrophobicContact CD1-CG2 3.54Å; L363-V434 HydrophobicContact CD1-CG2 3.73Å; L363-V434 HydrophobicContact CD2-CG1 4.18Å; L363-V434 HydrophobicContact CD2-CG2 3.98Å; V388-V434 HydrophobicContact CB-CG1 3.76Å; V388-V434 HydrophobicContact CG1-CG1 3.96Å; V388-V434 HydrophobicContact CG2-CG1 3.95Å; L421-V434 WeakPolarHBondContact CD1-O 3.31Å; Y422-V434 WeakPolarHBondContact CB-O 3.29Å; Y422-V434 HydrophobicContact CD2-CG1 4.26Å; Y422-V434 PolarHBondContact N-O 2.84Å; G423-V434 PolarHBondContact N-O 3.48Å; G423-V434 PolarHBondContact O-N 2.98Å |
| 435 | F | 91.1 | Very high | 88.1 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 9% | 0.088 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 164.6 | -176.5 | -64.6 | -87.3 | 0 | 0 | 0 | 112 | V388 A389 K391 M410 V419 Q420 L421 Y422 L433 | V388-F435 WeakPolarHBondContact CA-O 3.39Å; A389-F435 HydrophobicContact CB-CB 4.36Å; A389-F435 PolarHBondContact N-O 3Å; A389-F435 PolarHBondContact O-N 2.88Å; K391-F435 HydrophobicContact CB-CD2 4.47Å; K391-F435 HydrophobicContact CB-CE2 4.14Å; K391-F435 HydrophobicContact CD-CE2 4.43Å; M410-F435 HydrophobicContact CE-CE1 3.51Å; M410-F435 HydrophobicContact CE-CZ 3.57Å; V419-F435 HydrophobicContact CG1-CB 4.08Å; V419-F435 HydrophobicContact CG1-CD1 3.99Å; V419-F435 HydrophobicContact CG1-CG 4.35Å; Q420-F435 WeakPolarHBondContact O-CA 3.12Å; L421-F435 HydrophobicContact CB-CD1 4.05Å; L421-F435 HydrophobicContact CB-CE1 3.86Å; L421-F435 HydrophobicContact CD1-CD1 3.92Å; L421-F435 HydrophobicContact CD1-CD2 4.43Å; L421-F435 HydrophobicContact CD1-CE1 3.58Å; L421-F435 HydrophobicContact CD1-CE2 4.15Å; L421-F435 HydrophobicContact CD1-CG 4.33Å; L421-F435 HydrophobicContact CD1-CZ 3.7Å; L421-F435 HydrophobicContact CG-CE1 4.28Å; Y422-F435 VanDerWaalsContact CD2-C 3.42Å; L433-F435 HydrophobicContact CB-CD2 4.1Å; L433-F435 HydrophobicContact CB-CE2 3.34Å; L433-F435 HydrophobicContact CB-CZ 3.86Å; L433-F435 HydrophobicContact CD1-CE2 4.01Å; L433-F435 HydrophobicContact CD1-CZ 3.91Å; L433-F435 HydrophobicContact CG-CE2 4.3Å; L433-F435 HydrophobicContact CG-CZ 4.46Å |
| 436 | E | 89.6 | Confident | 88.5 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 141.1 | 161.5 | 71.1 | 177.1 | 133.3 | 0 | 0 | 111.3 | V419 Q420 Y422 M438 K497 | V419-E436 WeakPolarHBondContact CA-OE1 3.44Å; V419-E436 HydrophobicContact CG1-CG 3.87Å; Q420-E436 HydrophobicContact CB-CG 4.36Å; Q420-E436 PolarHBondContact N-OE1 3.35Å; Q420-E436 PolarHBondContact O-N 3.28Å; Y422-E436 VanDerWaalsContact CE2-CA 3.46Å; Y422-E436 HydrophobicContact CE2-CB 4.03Å; Y422-E436 VanDerWaalsContact CE2-N 3.34Å; E436-M438 HydrophobicContact CG-SD 4.29Å; E436-K497 WeakPolarHBondContact OE1-CD 3.48Å; E436-K497 IonicContact OE1-NZ 2.9Å; E436-K497 PolarHBondContact OE1-NZ 3.26Å; E436-K497 IonicContact OE2-NZ 3.04Å; E436-K497 PolarHBondContact OE2-NZ 3.42Å |
| 437 | F | 92.3 | Very high | 89.2 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | trans | -86.1 | 134.2 | 177.8 | 179.8 | -99.3 | 0 | 0 | 0 | 110.9 | I369 L379 K387 A389 E439 | I369-F437 HydrophobicContact CD1-CD2 4.25Å; I369-F437 HydrophobicContact CD1-CE2 3.77Å; L379-F437 HydrophobicContact CB-CE2 4.34Å; L379-F437 HydrophobicContact CD1-CD2 3.7Å; L379-F437 HydrophobicContact CD1-CE1 4.49Å; L379-F437 HydrophobicContact CD1-CE2 3.64Å; L379-F437 HydrophobicContact CD1-CG 4.19Å; L379-F437 HydrophobicContact CD1-CZ 4.05Å; L379-F437 HydrophobicContact CG-CE2 4.47Å; K387-F437 HydrophobicContact CD-CB 4.3Å; K387-F437 HydrophobicContact CD-CD1 3.3Å; K387-F437 HydrophobicContact CD-CD2 4.5Å; K387-F437 HydrophobicContact CD-CE1 3.65Å; K387-F437 HydrophobicContact CD-CG 3.77Å; K387-F437 HydrophobicContact CD-CZ 4.4Å; K387-F437 HydrophobicContact CG-CB 3.95Å; K387-F437 HydrophobicContact CG-CD1 3.93Å; K387-F437 HydrophobicContact CG-CG 3.87Å; A389-F437 HydrophobicContact CB-CD2 4.36Å; F437-E439 HydrophobicContact CD1-CG 4.48Å; F437-E439 HydrophobicContact CE1-CG 4.3Å | ||
| 438 | M | 93.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.069 | 22% | 0.22 | C | C | . | . | trans | -112.7 | 113.8 | -178.1 | -61.2 | -66.8 | -74.1 | 0 | 0 | 110.2 | V419 E436 H440 G441 L489 G491 K497 | V419-M438 HydrophobicContact CG2-CG 4.32Å; E436-M438 HydrophobicContact CG-SD 4.29Å; M438-H440 VanDerWaalsContact C-N 3.29Å; M438-H440 PolarHBondContact O-N 3.19Å; M438-G441 PolarHBondContact O-N 3.4Å; M438-L489 HydrophobicContact CB-CB 3.71Å; M438-L489 HydrophobicContact CB-CD1 4Å; M438-L489 HydrophobicContact CB-CG 4.45Å; M438-L489 HydrophobicContact CE-CB 3.96Å; M438-L489 WeakPolarHBondContact CE-O 3.46Å; M438-L489 HydrophobicContact CG-CB 3.62Å; M438-L489 HydrophobicContact CG-CD1 3.7Å; M438-L489 HydrophobicContact CG-CG 4.31Å; M438-G491 VanDerWaalsContact CE-N 3.26Å; M438-K497 HydrophobicContact CE-CB 3.85Å; M438-K497 HydrophobicContact CE-CD 3.77Å; M438-K497 HydrophobicContact CE-CG 3.69Å; M438-K497 HydrophobicContact SD-CD 3.96Å | ||
| 439 | E | 90.3 | Very high | 91.3 | Very high | 84 Ų | 84 | 39.5 Ų | 39.5 | 39% | 0.393 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.9 | -162.4 | -66 | 80.3 | -176.9 | 0 | 0 | 115 | F437 E492 | F437-E439 HydrophobicContact CD1-CG 4.48Å; F437-E439 HydrophobicContact CE1-CG 4.3Å; E439-E492 PolarHBondContact OE2-N 3.12Å |
| 440 | H | 92.7 | Very high | 92.2 | Very high | 93 Ų | 93 | 38.5 Ų | 38.5 | 43% | 0.431 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 10.6 | -172.8 | -61.5 | -53.9 | 0 | 0 | 0 | 113.3 | M438 Y446 V490 G491 | M438-H440 VanDerWaalsContact C-N 3.29Å; M438-H440 PolarHBondContact O-N 3.19Å; H440-Y446 HydrophobicContact CB-CD2 3.88Å; H440-Y446 HydrophobicContact CB-CE2 4.11Å; H440-V490 HydrophobicContact CB-CB 3.75Å; H440-V490 HydrophobicContact CB-CG1 3.86Å; H440-V490 WeakPolarHBondContact CB-O 3.37Å; H440-V490 PolarHBondContact N-O 3.48Å; H440-G491 PolarHBondContact CD2-O 3.41Å |
| 441 | G | 93.3 | Very high | 92.9 | Very high | 35 Ų | 35 | 41 Ų | 41 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | trans | 66.7 | -152.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M438 L489 V490 | M438-G441 PolarHBondContact O-N 3.4Å; G441-L489 CarbonylContact O-C 3.53Å; G441-L489 WeakPolarHBondContact O-CA 3.34Å; G441-V490 PolarHBondContact O-N 3.14Å | ||
| 442 | C | 94.4 | Very high | 93.2 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -77 | 146.8 | -175.9 | 84.5 | 0 | 0 | 0 | 0 | 113 | S444 D445 Y446 R486 C488 L489 | C442-S444 VanDerWaalsContact C-N 3.27Å; C442-S444 PolarHBondContact O-N 3.4Å; C442-D445 PolarHBondContact O-N 2.84Å; C442-D445 VanDerWaalsContact SG-CG 3.53Å; C442-D445 PolarHBondContact SG-N 3.42Å; C442-D445 PolarHBondContact SG-OD2 3.3Å; C442-Y446 WeakPolarHBondContact O-CB 3.18Å; C442-Y446 PolarHBondContact O-N 3.1Å; C442-R486 WeakPolarHBondContact CB-O 3.34Å; C442-C488 CarbonylContact C-O 3.54Å; C442-C488 WeakPolarHBondContact CA-O 3.28Å; C442-L489 HydrophobicContact CB-CD2 4.06Å |
| 443 | L | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -35.5 | -177.9 | 174.3 | 63.1 | 0 | 0 | 0 | 111.6 | D445 Y446 L447 M462 A485 C488 V490 I496 V551 | L443-D445 PolarHBondContact O-N 3.02Å; L443-Y446 HydrophobicContact CD1-CD1 4.49Å; L443-Y446 PolarHBondContact O-N 3.06Å; L443-L447 HydrophobicContact CD1-CD1 3.93Å; L443-L447 HydrophobicContact CD1-CD2 4.27Å; L443-L447 HydrophobicContact CD1-CG 3.77Å; L443-L447 HydrophobicContact CG-CD1 3.82Å; L443-L447 HydrophobicContact CG-CG 4.18Å; L443-L447 WeakPolarHBondContact O-CB 3.27Å; L443-L447 WeakPolarHBondContact O-CD1 3.41Å; L443-L447 WeakPolarHBondContact O-CG 3.21Å; L443-L447 PolarHBondContact O-N 2.94Å; L443-M462 HydrophobicContact CD1-SD 3.89Å; L443-A485 WeakPolarHBondContact CB-O 3.35Å; L443-A485 HydrophobicContact CD2-CB 4.42Å; L443-A485 HydrophobicContact CG-CB 4.39Å; L443-A485 PolarHBondContact N-O 3.13Å; L443-C488 HydrophobicContact CB-CB 3.96Å; L443-C488 WeakPolarHBondContact CB-O 3.45Å; L443-C488 HydrophobicContact CD2-CB 4.03Å; L443-C488 PolarHBondContact N-O 2.96Å; L443-V490 HydrophobicContact CB-CG2 4Å; L443-V490 HydrophobicContact CD1-CG2 4.02Å; L443-I496 HydrophobicContact CD1-CD1 3.88Å; L443-I496 HydrophobicContact CD2-CG2 4.09Å; L443-V551 HydrophobicContact CD2-CG2 3.95Å |
| 444 | S | 95.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -48.7 | 177 | -158.1 | 0 | 0 | 0 | 0 | 112.2 | C442 R448 A485 | C442-S444 VanDerWaalsContact C-N 3.27Å; C442-S444 PolarHBondContact O-N 3.4Å; S444-R448 WeakPolarHBondContact O-CG 3.2Å; S444-R448 PolarHBondContact O-N 2.78Å; S444-R448 VanDerWaalsContact OG-CZ 3.26Å; S444-R448 PolarHBondContact OG-NH1 2.58Å; S444-R448 PolarHBondContact OG-NH2 3.42Å; S444-A485 PolarHBondContact N-O 3.45Å |
| 445 | D | 95.8 | Very high | 93.5 | Very high | 93 Ų | 93 | 51 Ų | 51 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -75.2 | -37.3 | -179.5 | -66.3 | -24.4 | 0 | 0 | 0 | 111.6 | C442 L443 L447 R448 S449 | C442-D445 PolarHBondContact O-N 2.84Å; C442-D445 VanDerWaalsContact SG-CG 3.53Å; C442-D445 PolarHBondContact SG-N 3.42Å; C442-D445 PolarHBondContact SG-OD2 3.3Å; L443-D445 PolarHBondContact O-N 3.02Å; D445-L447 PolarHBondContact O-N 2.87Å; D445-R448 PolarHBondContact O-N 3.29Å; D445-R448 IonicContact OD1-NH1 3.64Å; D445-R448 PolarHBondContact OD1-NH1 3.05Å; D445-S449 WeakPolarHBondContact O-CB 3.37Å; D445-S449 PolarHBondContact O-N 3.33Å; D445-S449 PolarHBondContact O-OG 3.01Å |
| 446 | Y | 96.6 | Very high | 93.4 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -49.6 | 173.3 | -176.1 | -98.9 | 0 | 0 | 0 | 111.6 | H440 C442 L443 R448 S449 Q450 F454 M462 V490 Q494 | H440-Y446 HydrophobicContact CB-CD2 3.88Å; H440-Y446 HydrophobicContact CB-CE2 4.11Å; C442-Y446 WeakPolarHBondContact O-CB 3.18Å; C442-Y446 PolarHBondContact O-N 3.1Å; L443-Y446 HydrophobicContact CD1-CD1 4.49Å; L443-Y446 PolarHBondContact O-N 3.06Å; Y446-R448 PolarHBondContact O-N 2.91Å; Y446-S449 PolarHBondContact O-N 2.76Å; Y446-S449 PolarHBondContact O-OG 2.87Å; Y446-Q450 PolarHBondContact O-N 3.46Å; Y446-F454 HydrophobicContact CD1-CZ 4.01Å; Y446-F454 AromaticContact CE1-CE1 3.79Å; Y446-F454 HydrophobicContact CE1-CE1 3.79Å; Y446-F454 AromaticContact CE1-CZ 3.68Å; Y446-F454 HydrophobicContact CE1-CZ 3.68Å; Y446-M462 HydrophobicContact CD1-CE 4.3Å; Y446-M462 HydrophobicContact CE1-CE 3.82Å; Y446-V490 HydrophobicContact CD1-CG1 4.32Å; Y446-V490 HydrophobicContact CD1-CG2 4.09Å; Y446-V490 HydrophobicContact CD2-CG1 4.25Å; Y446-V490 HydrophobicContact CD2-CG2 4.48Å; Y446-V490 HydrophobicContact CE1-CG1 4.33Å; Y446-V490 HydrophobicContact CE2-CG1 4.26Å; Y446-V490 HydrophobicContact CG-CB 4.37Å; Y446-V490 HydrophobicContact CG-CG1 4.28Å; Y446-V490 HydrophobicContact CG-CG2 3.88Å; Y446-Q494 PolarHBondContact OH-NE2 3.04Å |
| 447 | L | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 177.3 | -73 | 165.8 | 0 | 0 | 0 | 112.4 | L443 D445 R451 F454 L459 M462 V551 | L443-L447 HydrophobicContact CD1-CD1 3.93Å; L443-L447 HydrophobicContact CD1-CD2 4.27Å; L443-L447 HydrophobicContact CD1-CG 3.77Å; L443-L447 HydrophobicContact CG-CD1 3.82Å; L443-L447 HydrophobicContact CG-CG 4.18Å; L443-L447 WeakPolarHBondContact O-CB 3.27Å; L443-L447 WeakPolarHBondContact O-CD1 3.41Å; L443-L447 WeakPolarHBondContact O-CG 3.21Å; L443-L447 PolarHBondContact O-N 2.94Å; D445-L447 PolarHBondContact O-N 2.87Å; L447-R451 PolarHBondContact O-N 3.03Å; L447-F454 HydrophobicContact CD2-CD2 4.37Å; L447-F454 HydrophobicContact CD2-CE2 4Å; L447-F454 HydrophobicContact CD2-CZ 4.26Å; L447-L459 HydrophobicContact CD2-CD2 3.81Å; L447-M462 HydrophobicContact CD2-SD 4Å; L447-V551 HydrophobicContact CD1-CB 4.45Å; L447-V551 HydrophobicContact CD1-CG2 4.13Å |
| 448 | R | 96.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 178.4 | -71.1 | 175.5 | -167.7 | 130.9 | 5 | 112 | S444 D445 Y446 Q450 R451 G555 | S444-R448 WeakPolarHBondContact O-CG 3.2Å; S444-R448 PolarHBondContact O-N 2.78Å; S444-R448 VanDerWaalsContact OG-CZ 3.26Å; S444-R448 PolarHBondContact OG-NH1 2.58Å; S444-R448 PolarHBondContact OG-NH2 3.42Å; D445-R448 PolarHBondContact O-N 3.29Å; D445-R448 IonicContact OD1-NH1 3.64Å; D445-R448 PolarHBondContact OD1-NH1 3.05Å; Y446-R448 PolarHBondContact O-N 2.91Å; R448-Q450 VanDerWaalsContact C-N 3.25Å; R448-Q450 PolarHBondContact O-N 3.49Å; R448-R451 PolarHBondContact O-N 2.7Å; R448-G555 PolarHBondContact NE-O 2.94Å; R448-G555 PolarHBondContact NH2-O 2.98Å |
| 449 | S | 95.8 | Very high | 93.2 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.5 | -27.5 | -177.2 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | D445 Y446 | D445-S449 WeakPolarHBondContact O-CB 3.37Å; D445-S449 PolarHBondContact O-N 3.33Å; D445-S449 PolarHBondContact O-OG 3.01Å; Y446-S449 PolarHBondContact O-N 2.76Å; Y446-S449 PolarHBondContact O-OG 2.87Å |
| 450 | Q | 92.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 53.2 Ų | 53.2 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 20.2 | -178.2 | -58.4 | -56.7 | -66.2 | 0 | 0 | 112.5 | Y446 R448 G452 L453 F454 | Y446-Q450 PolarHBondContact O-N 3.46Å; R448-Q450 VanDerWaalsContact C-N 3.25Å; R448-Q450 PolarHBondContact O-N 3.49Å; Q450-G452 PolarHBondContact O-N 2.77Å; Q450-L453 HydrophobicContact CB-CD1 4.26Å; Q450-L453 VanDerWaalsContact O-CB 3.26Å; Q450-L453 WeakPolarHBondContact O-CB 3.37Å; Q450-L453 WeakPolarHBondContact O-CG 3.39Å; Q450-L453 PolarHBondContact O-N 3.37Å; Q450-F454 HydrophobicContact CB-CD2 4.5Å; Q450-F454 HydrophobicContact CB-CE1 4.36Å; Q450-F454 HydrophobicContact CB-CE2 3.53Å; Q450-F454 HydrophobicContact CB-CZ 3.46Å; Q450-F454 VanDerWaalsContact CB-CZ 3.46Å; Q450-F454 HydrophobicContact CG-CZ 4.2Å; Q450-F454 WeakPolarHBondContact O-CE2 3.34Å |
| 451 | R | 93.4 | Very high | 93.3 | Very high | 122 Ų | 122 | 50.2 Ų | 50.2 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.1 | -176.6 | -179.4 | 177.6 | -71.7 | 175.5 | -1.1 | 111.4 | L447 R448 L453 E554 | L447-R451 PolarHBondContact O-N 3.03Å; R448-R451 PolarHBondContact O-N 2.7Å; R451-L453 VanDerWaalsContact C-N 3.34Å; R451-E554 HydrophobicContact CB-CB 4.43Å; R451-E554 HydrophobicContact CG-CB 3.95Å; R451-E554 PolarHBondContact NE-O 2.57Å; R451-E554 PolarHBondContact NH2-O 2.82Å |
| 452 | G | 92.2 | Very high | 93.4 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -5.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q450 E554 | Q450-G452 PolarHBondContact O-N 2.77Å; G452-E554 WeakPolarHBondContact CA-OE1 3.4Å; G452-E554 PolarHBondContact N-OE1 3.47Å |
| 453 | L | 91.6 | Very high | 93.5 | Very high | 127 Ų | 127 | 47.6 Ų | 47.6 | 67% | 0.665 | 27% | 0.268 | S | S | * | . | trans | -99.8 | -10.1 | -178.4 | -55.5 | 178 | 0 | 0 | 0 | 113.4 | Q450 R451 | Q450-L453 HydrophobicContact CB-CD1 4.26Å; Q450-L453 VanDerWaalsContact O-CB 3.26Å; Q450-L453 WeakPolarHBondContact O-CB 3.37Å; Q450-L453 WeakPolarHBondContact O-CG 3.39Å; Q450-L453 PolarHBondContact O-N 3.37Å; R451-L453 VanDerWaalsContact C-N 3.34Å | ||
| 454 | F | 91.2 | Very high | 93.4 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | trans | -87 | 134 | -175 | -62.7 | -72.1 | 0 | 0 | 0 | 113 | Y446 L447 Q450 T458 L459 M462 E554 | Y446-F454 HydrophobicContact CD1-CZ 4.01Å; Y446-F454 AromaticContact CE1-CE1 3.79Å; Y446-F454 HydrophobicContact CE1-CE1 3.79Å; Y446-F454 AromaticContact CE1-CZ 3.68Å; Y446-F454 HydrophobicContact CE1-CZ 3.68Å; L447-F454 HydrophobicContact CD2-CD2 4.37Å; L447-F454 HydrophobicContact CD2-CE2 4Å; L447-F454 HydrophobicContact CD2-CZ 4.26Å; Q450-F454 HydrophobicContact CB-CD2 4.5Å; Q450-F454 HydrophobicContact CB-CE1 4.36Å; Q450-F454 HydrophobicContact CB-CE2 3.53Å; Q450-F454 HydrophobicContact CB-CZ 3.46Å; Q450-F454 VanDerWaalsContact CB-CZ 3.46Å; Q450-F454 HydrophobicContact CG-CZ 4.2Å; Q450-F454 WeakPolarHBondContact O-CE2 3.34Å; F454-T458 HydrophobicContact CD1-CG2 4.22Å; F454-L459 HydrophobicContact CB-CD1 4.12Å; F454-L459 HydrophobicContact CB-CD2 3.67Å; F454-L459 HydrophobicContact CB-CG 3.81Å; F454-L459 HydrophobicContact CD1-CD2 4.28Å; F454-L459 HydrophobicContact CD2-CD2 4.19Å; F454-L459 HydrophobicContact CG-CD2 3.8Å; F454-L459 HydrophobicContact CG-CG 4.46Å; F454-M462 HydrophobicContact CD1-CE 4.1Å; F454-M462 HydrophobicContact CE1-CE 3.64Å; F454-M462 HydrophobicContact CZ-CE 4.31Å; F454-E554 HydrophobicContact CD2-CG 4.44Å | ||
| 455 | A | 89.9 | Confident | 93.2 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | trans | -78.4 | 152 | 164 | 0 | 0 | 0 | 0 | 0 | 110.2 | E457 T458 L459 | A455-E457 WeakPolarHBondContact CB-OE2 3.37Å; A455-E457 PolarHBondContact O-N 3.08Å; A455-T458 WeakPolarHBondContact O-CB 3.36Å; A455-T458 PolarHBondContact O-N 3.49Å; A455-T458 VanDerWaalsContact O-N 3.12Å; A455-L459 PolarHBondContact O-N 3.12Å | ||
| 456 | A | 90 | Very high | 93.3 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -31.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L459 L460 | A456-L459 PolarHBondContact O-N 3.46Å; A456-L460 WeakPolarHBondContact O-CB 3.35Å; A456-L460 PolarHBondContact O-N 3.2Å |
| 457 | E | 87.3 | Confident | 93.4 | Very high | 121 Ų | 121 | 44.3 Ų | 44.3 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.3 | -40.5 | 177.3 | -59.1 | 72.1 | -157.2 | 0 | 0 | 111 | A455 L460 G461 | A455-E457 WeakPolarHBondContact CB-OE2 3.37Å; A455-E457 PolarHBondContact O-N 3.08Å; E457-L460 PolarHBondContact O-N 3.04Å; E457-G461 PolarHBondContact O-N 3.04Å |
| 458 | T | 88.1 | Confident | 93.2 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.4 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | F454 A455 L460 G461 M462 | F454-T458 HydrophobicContact CD1-CG2 4.22Å; A455-T458 WeakPolarHBondContact O-CB 3.36Å; A455-T458 PolarHBondContact O-N 3.49Å; A455-T458 VanDerWaalsContact O-N 3.12Å; T458-L460 VanDerWaalsContact C-N 3.33Å; T458-L460 PolarHBondContact O-N 3.4Å; T458-G461 PolarHBondContact O-N 3.11Å; T458-M462 HydrophobicContact CG2-CE 4.15Å; T458-M462 WeakPolarHBondContact O-CG 3.26Å; T458-M462 PolarHBondContact O-N 3.27Å |
| 459 | L | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.9 | -64.1 | 178.4 | 0 | 0 | 0 | 111.7 | L447 F454 A455 A456 G461 M462 C463 V551 F552 E554 L582 | L447-L459 HydrophobicContact CD2-CD2 3.81Å; F454-L459 HydrophobicContact CB-CD1 4.12Å; F454-L459 HydrophobicContact CB-CD2 3.67Å; F454-L459 HydrophobicContact CB-CG 3.81Å; F454-L459 HydrophobicContact CD1-CD2 4.28Å; F454-L459 HydrophobicContact CD2-CD2 4.19Å; F454-L459 HydrophobicContact CG-CD2 3.8Å; F454-L459 HydrophobicContact CG-CG 4.46Å; A455-L459 PolarHBondContact O-N 3.12Å; A456-L459 PolarHBondContact O-N 3.46Å; L459-G461 VanDerWaalsContact C-N 3.35Å; L459-M462 HydrophobicContact CD2-SD 4.17Å; L459-M462 WeakPolarHBondContact O-CB 3.43Å; L459-M462 PolarHBondContact O-N 2.83Å; L459-C463 PolarHBondContact O-N 2.9Å; L459-C463 VanDerWaalsContact O-N 3.16Å; L459-C463 PolarHBondContact O-SG 2.84Å; L459-V551 HydrophobicContact CB-CG1 3.89Å; L459-V551 HydrophobicContact CD2-CG1 3.89Å; L459-V551 HydrophobicContact CG-CG1 4.45Å; L459-V551 WeakPolarHBondContact O-CG1 3.49Å; L459-F552 HydrophobicContact CB-CD1 4.22Å; L459-F552 HydrophobicContact CB-CE1 4.03Å; L459-F552 HydrophobicContact CB-CZ 4.3Å; L459-F552 HydrophobicContact CD1-CD1 4.28Å; L459-E554 HydrophobicContact CD1-CG 4.41Å; L459-L582 HydrophobicContact CD1-CB 4.19Å; L459-L582 HydrophobicContact CD1-CD1 3.58Å |
| 460 | L | 94 | Very high | 93.1 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 174 | -174.9 | 58.5 | 0 | 0 | 0 | 112 | A456 E457 T458 M462 C463 L464 F552 V587 L612 I615 A616 | A456-L460 WeakPolarHBondContact O-CB 3.35Å; A456-L460 PolarHBondContact O-N 3.2Å; E457-L460 PolarHBondContact O-N 3.04Å; T458-L460 VanDerWaalsContact C-N 3.33Å; T458-L460 PolarHBondContact O-N 3.4Å; L460-M462 VanDerWaalsContact C-N 3.33Å; L460-M462 PolarHBondContact O-N 2.75Å; L460-C463 PolarHBondContact O-N 2.86Å; L460-L464 PolarHBondContact O-N 2.83Å; L460-F552 HydrophobicContact CB-CZ 4.05Å; L460-F552 HydrophobicContact CD1-CZ 4.28Å; L460-V587 HydrophobicContact CD1-CG2 4.27Å; L460-L612 HydrophobicContact CD1-CB 4.48Å; L460-L612 HydrophobicContact CD1-CD2 3.75Å; L460-I615 HydrophobicContact CD2-CB 4.33Å; L460-I615 HydrophobicContact CD2-CG2 3.79Å; L460-A616 VanDerWaalsContact CD2-CA 3.48Å; L460-A616 HydrophobicContact CD2-CB 3.63Å; L460-A616 HydrophobicContact CG-CB 4.22Å |
| 461 | G | 90.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59 | -40.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E457 T458 L459 L464 D465 | E457-G461 PolarHBondContact O-N 3.04Å; T458-G461 PolarHBondContact O-N 3.11Å; L459-G461 VanDerWaalsContact C-N 3.35Å; G461-L464 WeakPolarHBondContact O-CB 3.31Å; G461-L464 PolarHBondContact O-N 2.8Å; G461-D465 PolarHBondContact O-N 2.84Å |
| 462 | M | 95.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.1 | -65.9 | 173.3 | 176.1 | 0 | 0 | 112.1 | L443 Y446 L447 F454 T458 L459 L460 L464 D465 V466 I496 V551 | L443-M462 HydrophobicContact CD1-SD 3.89Å; Y446-M462 HydrophobicContact CD1-CE 4.3Å; Y446-M462 HydrophobicContact CE1-CE 3.82Å; L447-M462 HydrophobicContact CD2-SD 4Å; F454-M462 HydrophobicContact CD1-CE 4.1Å; F454-M462 HydrophobicContact CE1-CE 3.64Å; F454-M462 HydrophobicContact CZ-CE 4.31Å; T458-M462 HydrophobicContact CG2-CE 4.15Å; T458-M462 WeakPolarHBondContact O-CG 3.26Å; T458-M462 PolarHBondContact O-N 3.27Å; L459-M462 HydrophobicContact CD2-SD 4.17Å; L459-M462 WeakPolarHBondContact O-CB 3.43Å; L459-M462 PolarHBondContact O-N 2.83Å; L460-M462 VanDerWaalsContact C-N 3.33Å; L460-M462 PolarHBondContact O-N 2.75Å; M462-L464 VanDerWaalsContact C-N 3.34Å; M462-D465 PolarHBondContact O-N 3.29Å; M462-V466 WeakPolarHBondContact O-CG2 3.42Å; M462-V466 PolarHBondContact O-N 3.04Å; M462-I496 HydrophobicContact CB-CD1 4.49Å; M462-I496 HydrophobicContact CB-CG1 3.83Å; M462-I496 HydrophobicContact CG-CD1 4.05Å; M462-I496 HydrophobicContact CG-CG1 3.81Å; M462-V551 HydrophobicContact CB-CG1 4.22Å; M462-V551 HydrophobicContact SD-CG1 4.43Å |
| 463 | C | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 175.8 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | L459 L460 C467 M548 | L459-C463 PolarHBondContact O-N 2.9Å; L459-C463 VanDerWaalsContact O-N 3.16Å; L459-C463 PolarHBondContact O-SG 2.84Å; L460-C463 PolarHBondContact O-N 2.86Å; C463-C467 VanDerWaalsContact O-CB 3.27Å; C463-C467 WeakPolarHBondContact O-CB 3.34Å; C463-C467 PolarHBondContact O-N 3.27Å; C463-M548 HydrophobicContact CB-CG 4.32Å |
| 464 | L | 94.1 | Very high | 93.3 | Very high | 32 Ų | 32 | 25.9 Ų | 25.9 | 17% | 0.168 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 175.6 | -84.2 | 167 | 0 | 0 | 0 | 111.6 | L460 G461 M462 V466 C467 E468 L609 L612 A613 A616 | L460-L464 PolarHBondContact O-N 2.83Å; G461-L464 WeakPolarHBondContact O-CB 3.31Å; G461-L464 PolarHBondContact O-N 2.8Å; M462-L464 VanDerWaalsContact C-N 3.34Å; L464-V466 VanDerWaalsContact C-N 3.33Å; L464-V466 PolarHBondContact O-N 3.28Å; L464-C467 PolarHBondContact O-N 3.07Å; L464-C467 VanDerWaalsContact O-N 3.16Å; L464-E468 WeakPolarHBondContact O-CB 3.29Å; L464-E468 PolarHBondContact O-N 3.3Å; L464-L609 HydrophobicContact CD2-CD1 3.98Å; L464-L612 HydrophobicContact CD2-CB 3.53Å; L464-L612 HydrophobicContact CG-CB 4.1Å; L464-A613 HydrophobicContact CD2-CB 4.33Å; L464-A616 HydrophobicContact CD1-CB 3.87Å |
| 465 | D | 92.9 | Very high | 93.2 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.5 | -47.7 | 177 | -84.3 | 8 | 0 | 0 | 0 | 111.6 | K417 G461 M462 E468 G469 I496 | K417-D465 VanDerWaalsContact CB-O 3.27Å; K417-D465 WeakPolarHBondContact CB-O 3.35Å; K417-D465 HydrophobicContact CD-CB 3.93Å; K417-D465 VanDerWaalsContact CE-OD1 3.27Å; K417-D465 WeakPolarHBondContact CE-OD1 3.23Å; K417-D465 WeakPolarHBondContact CG-O 3.46Å; K417-D465 IonicContact NZ-OD1 2.68Å; K417-D465 PolarHBondContact NZ-OD1 2.99Å; K417-D465 IonicContact NZ-OD2 2.64Å; K417-D465 PolarHBondContact NZ-OD2 3.08Å; G461-D465 PolarHBondContact O-N 2.84Å; M462-D465 PolarHBondContact O-N 3.29Å; D465-E468 PolarHBondContact O-N 2.87Å; D465-G469 PolarHBondContact O-N 2.91Å; D465-I496 HydrophobicContact CB-CB 3.77Å; D465-I496 HydrophobicContact CB-CG1 4.31Å; D465-I496 PolarHBondContact OD2-N 3.01Å |
| 466 | V | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | M462 L464 E468 G469 M470 L483 C488 I496 V498 F544 L547 | M462-V466 WeakPolarHBondContact O-CG2 3.42Å; M462-V466 PolarHBondContact O-N 3.04Å; L464-V466 VanDerWaalsContact C-N 3.33Å; L464-V466 PolarHBondContact O-N 3.28Å; V466-E468 VanDerWaalsContact C-N 3.3Å; V466-E468 PolarHBondContact O-N 3.06Å; V466-G469 PolarHBondContact O-N 3.48Å; V466-M470 HydrophobicContact CG1-CG 4.3Å; V466-M470 WeakPolarHBondContact O-CG 3.46Å; V466-M470 PolarHBondContact O-N 3.34Å; V466-L483 HydrophobicContact CG1-CD1 4.1Å; V466-C488 HydrophobicContact CG2-CB 4.45Å; V466-I496 HydrophobicContact CG2-CB 4.34Å; V466-I496 HydrophobicContact CG2-CG2 3.53Å; V466-V498 HydrophobicContact CB-CG2 4.41Å; V466-V498 HydrophobicContact CG1-CG2 3.98Å; V466-F544 HydrophobicContact CB-CE2 4.22Å; V466-F544 HydrophobicContact CG1-CD2 3.94Å; V466-F544 HydrophobicContact CG1-CE2 3.93Å; V466-L547 HydrophobicContact CB-CD2 4.45Å; V466-L547 HydrophobicContact CG1-CD1 3.9Å; V466-L547 HydrophobicContact CG1-CD2 4.15Å; V466-L547 HydrophobicContact CG2-CD2 4.33Å |
| 467 | C | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -37 | -179.5 | -166.4 | 0 | 0 | 0 | 0 | 112.3 | C463 L464 M470 A471 F544 L609 L612 | C463-C467 VanDerWaalsContact O-CB 3.27Å; C463-C467 WeakPolarHBondContact O-CB 3.34Å; C463-C467 PolarHBondContact O-N 3.27Å; L464-C467 PolarHBondContact O-N 3.07Å; L464-C467 VanDerWaalsContact O-N 3.16Å; C467-M470 PolarHBondContact O-N 2.91Å; C467-A471 WeakPolarHBondContact O-CB 3.19Å; C467-A471 PolarHBondContact O-N 2.76Å; C467-F544 HydrophobicContact CB-CE1 4.38Å; C467-F544 HydrophobicContact CB-CE2 3.93Å; C467-F544 HydrophobicContact CB-CZ 3.6Å; C467-L609 HydrophobicContact CB-CD1 4.21Å; C467-L609 PolarHBondContact SG-N 3.01Å; C467-L609 VanDerWaalsContact SG-N 3.4Å; C467-L612 HydrophobicContact CB-CD1 4.1Å |
| 468 | E | 93.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 27.4 Ų | 27.4 | 29% | 0.285 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 176.5 | -168.7 | -171 | 176.7 | 0 | 0 | 110.7 | K417 L464 D465 V466 A471 Y472 L609 | K417-E468 WeakPolarHBondContact CE-OE2 3.27Å; K417-E468 HydrophobicContact CG-CB 4.1Å; K417-E468 HydrophobicContact CG-CG 4.27Å; K417-E468 WeakPolarHBondContact CG-OE2 3.35Å; L464-E468 WeakPolarHBondContact O-CB 3.29Å; L464-E468 PolarHBondContact O-N 3.3Å; D465-E468 PolarHBondContact O-N 2.87Å; V466-E468 VanDerWaalsContact C-N 3.3Å; V466-E468 PolarHBondContact O-N 3.06Å; E468-A471 PolarHBondContact O-N 3.29Å; E468-Y472 PolarHBondContact O-N 3.16Å; E468-L609 HydrophobicContact CB-CD1 4.02Å; E468-L609 HydrophobicContact CB-CD2 4.42Å; E468-L609 HydrophobicContact CG-CD2 4.38Å |
| 469 | G | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D465 V466 Y472 L473 | D465-G469 PolarHBondContact O-N 2.91Å; V466-G469 PolarHBondContact O-N 3.48Å; G469-Y472 WeakPolarHBondContact O-CB 3.46Å; G469-Y472 PolarHBondContact O-N 2.89Å; G469-L473 PolarHBondContact O-N 2.96Å |
| 470 | M | 97.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.9 | -30.8 | 178.8 | -68.2 | -57.3 | -54.3 | 0 | 0 | 113.4 | V466 C467 Y472 L473 E474 H480 L483 V498 D540 F605 | V466-M470 HydrophobicContact CG1-CG 4.3Å; V466-M470 WeakPolarHBondContact O-CG 3.46Å; V466-M470 PolarHBondContact O-N 3.34Å; C467-M470 PolarHBondContact O-N 2.91Å; M470-Y472 VanDerWaalsContact C-N 3.33Å; M470-L473 HydrophobicContact CE-CD1 4.21Å; M470-L473 PolarHBondContact O-N 3.35Å; M470-L473 HydrophobicContact SD-CD1 3.81Å; M470-E474 WeakPolarHBondContact O-CB 3.43Å; M470-E474 PolarHBondContact O-N 3.11Å; M470-H480 HydrophobicContact CE-CB 3.87Å; M470-H480 HydrophobicContact SD-CB 4.32Å; M470-L483 HydrophobicContact CE-CD2 4.08Å; M470-L483 HydrophobicContact CG-CD1 4.29Å; M470-L483 HydrophobicContact CG-CD2 3.8Å; M470-L483 HydrophobicContact SD-CD1 3.87Å; M470-L483 HydrophobicContact SD-CD2 3.87Å; M470-L483 HydrophobicContact SD-CG 4.38Å; M470-V498 HydrophobicContact SD-CG1 4.13Å; M470-D540 HydrophobicContact CE-CB 3.81Å; M470-F605 HydrophobicContact CB-CD1 3.49Å; M470-F605 VanDerWaalsContact CB-CD1 3.49Å; M470-F605 HydrophobicContact CB-CD2 4.03Å; M470-F605 HydrophobicContact CB-CE1 3.38Å; M470-F605 HydrophobicContact CB-CE2 3.93Å; M470-F605 HydrophobicContact CB-CG 3.82Å; M470-F605 HydrophobicContact CB-CZ 3.61Å; M470-F605 HydrophobicContact CE-CE2 3.86Å; M470-F605 HydrophobicContact CE-CZ 3.8Å; M470-F605 HydrophobicContact CG-CD1 4.46Å; M470-F605 HydrophobicContact CG-CE1 3.89Å; M470-F605 HydrophobicContact CG-CZ 3.97Å |
| 471 | A | 95.2 | Very high | 92.6 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C467 E468 E474 E475 F605 L609 | C467-A471 WeakPolarHBondContact O-CB 3.19Å; C467-A471 PolarHBondContact O-N 2.76Å; E468-A471 PolarHBondContact O-N 3.29Å; A471-E474 PolarHBondContact O-N 2.84Å; A471-E475 PolarHBondContact O-N 3.48Å; A471-F605 HydrophobicContact CB-CB 3.91Å; A471-L609 HydrophobicContact CB-CD2 4.47Å |
| 472 | Y | 92.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 24.9 Ų | 24.9 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 173.3 | 171.5 | -93.9 | 0 | 0 | 0 | 112.2 | L413 S414 H415 L418 E468 G469 M470 E475 A476 | L413-Y472 HydrophobicContact CB-CE1 4.22Å; L413-Y472 HydrophobicContact CD2-CE1 3.86Å; S414-Y472 PolarHBondContact N-OH 3.46Å; S414-Y472 VanDerWaalsContact N-OH 3.11Å; S414-Y472 PolarHBondContact O-OH 3.24Å; H415-Y472 HydrophobicContact CB-CD1 3.75Å; H415-Y472 HydrophobicContact CB-CD2 4.23Å; H415-Y472 HydrophobicContact CB-CE1 3.95Å; H415-Y472 HydrophobicContact CB-CE2 4.43Å; H415-Y472 HydrophobicContact CB-CG 3.88Å; H415-Y472 AromaticContact CD2-CD2 3.87Å; H415-Y472 AromaticContact CD2-CG 3.82Å; H415-Y472 AromaticContact CG-CG 3.88Å; L418-Y472 HydrophobicContact CD1-CD1 3.52Å; L418-Y472 HydrophobicContact CD1-CE1 3.69Å; L418-Y472 HydrophobicContact CG-CD1 4.44Å; E468-Y472 PolarHBondContact O-N 3.16Å; G469-Y472 WeakPolarHBondContact O-CB 3.46Å; G469-Y472 PolarHBondContact O-N 2.89Å; M470-Y472 VanDerWaalsContact C-N 3.33Å; Y472-E475 PolarHBondContact O-N 2.97Å; Y472-A476 WeakPolarHBondContact O-CB 3.34Å; Y472-A476 PolarHBondContact O-N 2.7Å |
| 473 | L | 91.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.5 | -65 | -178.9 | 0 | 0 | 0 | 112.4 | L413 L418 G469 M470 E475 A476 C477 V478 H480 F501 | L413-L473 HydrophobicContact CD1-CD2 3.76Å; L413-L473 HydrophobicContact CD2-CD2 4.21Å; L418-L473 HydrophobicContact CD1-CD2 3.6Å; L418-L473 HydrophobicContact CD1-CG 4.16Å; L418-L473 HydrophobicContact CD2-CD1 4.21Å; L418-L473 HydrophobicContact CD2-CD2 4.42Å; L418-L473 HydrophobicContact CD2-CG 4.2Å; G469-L473 PolarHBondContact O-N 2.96Å; M470-L473 HydrophobicContact CE-CD1 4.21Å; M470-L473 PolarHBondContact O-N 3.35Å; M470-L473 HydrophobicContact SD-CD1 3.81Å; L473-E475 VanDerWaalsContact C-N 3.34Å; L473-E475 PolarHBondContact O-N 3.14Å; L473-A476 CarbonylContact O-C 3.56Å; L473-A476 PolarHBondContact O-N 3.48Å; L473-C477 PolarHBondContact O-N 2.83Å; L473-V478 HydrophobicContact CB-CB 4.34Å; L473-V478 HydrophobicContact CD2-CB 4.2Å; L473-V478 HydrophobicContact CD2-CG1 3.99Å; L473-V478 PolarHBondContact O-N 3.23Å; L473-H480 HydrophobicContact CD1-CB 4.45Å; L473-F501 HydrophobicContact CD1-CE1 4Å; L473-F501 HydrophobicContact CD2-CE1 4.11Å |
| 474 | E | 93.6 | Very high | 92.6 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 19% | 0.192 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.7 | -175.7 | -179.2 | -116.6 | 0 | 0 | 111.1 | M470 A471 A476 C477 A604 F605 S606 | M470-E474 WeakPolarHBondContact O-CB 3.43Å; M470-E474 PolarHBondContact O-N 3.11Å; A471-E474 PolarHBondContact O-N 2.84Å; E474-A476 VanDerWaalsContact C-N 3.34Å; E474-A476 PolarHBondContact O-N 2.85Å; E474-C477 PolarHBondContact O-N 3.41Å; E474-A604 WeakPolarHBondContact OE1-CA 3.37Å; E474-F605 HydrophobicContact CB-CD2 4.18Å; E474-F605 PolarHBondContact OE1-N 3.1Å; E474-F605 VanDerWaalsContact OE1-N 3.14Å; E474-F605 PolarHBondContact OE2-N 3.43Å; E474-S606 PolarHBondContact OE2-N 3.12Å |
| 475 | E | 89.8 | Confident | 92.7 | Very high | 166 Ų | 166 | 23.2 Ų | 23.2 | 78% | 0.776 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -66.3 | -34.6 | 176.6 | -175.7 | 172.5 | -166 | 0 | 0 | 112.8 | A471 Y472 L473 C477 | A471-E475 PolarHBondContact O-N 3.48Å; Y472-E475 PolarHBondContact O-N 2.97Å; L473-E475 VanDerWaalsContact C-N 3.34Å; L473-E475 PolarHBondContact O-N 3.14Å; E475-C477 PolarHBondContact O-N 3.15Å |
| 476 | A | 85.5 | Confident | 92.8 | Very high | 32 Ų | 32 | 25.7 Ų | 25.7 | 26% | 0.264 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 4.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L413 Y472 L473 E474 V478 F506 | L413-A476 HydrophobicContact CD2-CB 4.15Å; Y472-A476 WeakPolarHBondContact O-CB 3.34Å; Y472-A476 PolarHBondContact O-N 2.7Å; L473-A476 CarbonylContact O-C 3.56Å; L473-A476 PolarHBondContact O-N 3.48Å; E474-A476 VanDerWaalsContact C-N 3.34Å; E474-A476 PolarHBondContact O-N 2.85Å; A476-V478 VanDerWaalsContact C-N 3.27Å; A476-V478 HydrophobicContact CB-CG2 4.1Å; A476-V478 PolarHBondContact O-N 3.47Å; A476-F506 VanDerWaalsContact O-CE2 3.28Å; A476-F506 WeakPolarHBondContact O-CE2 3.32Å |
| 477 | C | 87.2 | Confident | 92.6 | Very high | 48 Ų | 48 | 26.2 Ų | 26.2 | 32% | 0.324 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 39 | -174.2 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | L473 E474 E475 F506 V507 | L473-C477 PolarHBondContact O-N 2.83Å; E474-C477 PolarHBondContact O-N 3.41Å; E475-C477 PolarHBondContact O-N 3.15Å; C477-F506 HydrophobicContact CB-CD2 4.48Å; C477-F506 HydrophobicContact CB-CE2 4.08Å; C477-V507 PolarHBondContact O-N 3.15Å |
| 478 | V | 87.8 | Confident | 92.6 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.7 | -178.6 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | V409 L413 L473 A476 T504 F506 | V409-V478 HydrophobicContact CG1-CG2 4.42Å; L413-V478 HydrophobicContact CD1-CG1 4.22Å; L413-V478 HydrophobicContact CD2-CG2 4.1Å; L473-V478 HydrophobicContact CB-CB 4.34Å; L473-V478 HydrophobicContact CD2-CB 4.2Å; L473-V478 HydrophobicContact CD2-CG1 3.99Å; L473-V478 PolarHBondContact O-N 3.23Å; A476-V478 VanDerWaalsContact C-N 3.27Å; A476-V478 HydrophobicContact CB-CG2 4.1Å; A476-V478 PolarHBondContact O-N 3.47Å; V478-T504 HydrophobicContact CG1-CG2 3.03Å; V478-F506 HydrophobicContact CG2-CD2 4.08Å |
| 479 | I | 90.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.6 | 177.9 | -50.9 | 168.3 | 0 | 0 | 0 | 109.1 | R481 T504 R505 V507 D540 | I479-R481 HydrophobicContact CB-CG 4.27Å; I479-R481 HydrophobicContact CG2-CG 3.64Å; I479-T504 VanDerWaalsContact O-CA 3.3Å; I479-T504 WeakPolarHBondContact O-CA 3.45Å; I479-R505 PolarHBondContact N-O 3.02Å; I479-R505 PolarHBondContact O-N 2.78Å; I479-R505 VanDerWaalsContact O-N 3.12Å; I479-V507 HydrophobicContact CD1-CB 3.85Å; I479-V507 HydrophobicContact CD1-CG1 4.25Å; I479-V507 HydrophobicContact CD1-CG2 3.79Å; I479-V507 HydrophobicContact CG1-CB 4.46Å; I479-V507 HydrophobicContact CG1-CG2 4.44Å; I479-D540 WeakPolarHBondContact CG2-OD2 3.28Å |
| 480 | H | 91.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -75.4 | -43.2 | -177.8 | -172.7 | -35.8 | 0 | 0 | 0 | 113.1 | M470 L473 D482 V498 S499 D540 | M470-H480 HydrophobicContact CE-CB 3.87Å; M470-H480 HydrophobicContact SD-CB 4.32Å; L473-H480 HydrophobicContact CD1-CB 4.45Å; H480-D482 PolarHBondContact CE1-O 2.94Å; H480-D482 PolarHBondContact ND1-N 3.07Å; H480-D482 PolarHBondContact O-N 3.46Å; H480-V498 WeakPolarHBondContact CD2-CG1 3.46Å; H480-V498 VanDerWaalsContact NE2-CG1 3.26Å; H480-V498 WeakPolarHBondContact NE2-CG1 2.98Å; H480-S499 PolarHBondContact CE1-O 3.03Å; H480-S499 PolarHBondContact NE2-O 3.39Å; H480-D540 PolarHBondContact N-OD2 2.84Å | ||
| 481 | R | 90.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 6% | 0.06 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 70 | -13.2 | 175.6 | -56 | 175.6 | 43.4 | -151.9 | 11.5 | 117.1 | I479 M503 Y535 D540 | I479-R481 HydrophobicContact CB-CG 4.27Å; I479-R481 HydrophobicContact CG2-CG 3.64Å; R481-M503 HydrophobicContact CB-CB 4.37Å; R481-M503 WeakPolarHBondContact CD-O 3.45Å; R481-M503 PolarHBondContact NH1-O 2.94Å; R481-Y535 HydrophobicContact CB-CD1 3.8Å; R481-Y535 HydrophobicContact CB-CE1 3.98Å; R481-Y535 HydrophobicContact CG-CD1 3.63Å; R481-Y535 HydrophobicContact CG-CE1 4.27Å; R481-Y535 HydrophobicContact CG-CG 3.98Å; R481-D540 PolarHBondContact N-OD1 2.89Å |
| 482 | D | 90.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | trans | -141.6 | 41.9 | 178.2 | -167.8 | 16.7 | 0 | 0 | 0 | 112 | H480 A484 R486 N487 P521 | H480-D482 PolarHBondContact CE1-O 2.94Å; H480-D482 PolarHBondContact ND1-N 3.07Å; H480-D482 PolarHBondContact O-N 3.46Å; D482-A484 PolarHBondContact O-N 3.35Å; D482-R486 IonicContact OD1-CZ 3.33Å; D482-R486 IonicContact OD1-NH2 3.14Å; D482-R486 PolarHBondContact OD1-NH2 3.17Å; D482-N487 PolarHBondContact O-ND2 3.28Å; D482-N487 PolarHBondContact OD2-ND2 3.41Å; D482-P521 VanDerWaalsContact OD1-CG 3.28Å; D482-P521 WeakPolarHBondContact OD1-CG 3.46Å | ||
| 483 | L | 96 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -70.1 | 118 | 177.7 | -178.6 | 65.2 | 0 | 0 | 0 | 111 | V466 M470 V498 S543 F544 L547 F605 | V466-L483 HydrophobicContact CG1-CD1 4.1Å; M470-L483 HydrophobicContact CE-CD2 4.08Å; M470-L483 HydrophobicContact CG-CD1 4.29Å; M470-L483 HydrophobicContact CG-CD2 3.8Å; M470-L483 HydrophobicContact SD-CD1 3.87Å; M470-L483 HydrophobicContact SD-CD2 3.87Å; M470-L483 HydrophobicContact SD-CG 4.38Å; L483-V498 HydrophobicContact CD1-CG1 4.07Å; L483-S543 WeakPolarHBondContact O-CB 3.49Å; L483-F544 HydrophobicContact CD2-CB 3.71Å; L483-F544 HydrophobicContact CD2-CD2 4.26Å; L483-F544 HydrophobicContact CD2-CG 4.49Å; L483-L547 HydrophobicContact CD1-CD1 3.79Å; L483-L547 HydrophobicContact CG-CD1 3.92Å; L483-F605 HydrophobicContact CD2-CZ 4.42Å | ||
| 484 | A | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -159.2 | 163 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | D482 R486 N487 C488 W524 | D482-A484 PolarHBondContact O-N 3.35Å; A484-R486 HydrophobicContact CB-CG 3.93Å; A484-R486 PolarHBondContact O-N 2.93Å; A484-R486 VanDerWaalsContact O-N 3.11Å; A484-N487 CarbonylContact O-C 3.6Å; A484-N487 PolarHBondContact O-N 3.23Å; A484-C488 PolarHBondContact O-N 2.65Å; A484-W524 HydrophobicContact CB-CD2 4.25Å; A484-W524 HydrophobicContact CB-CG 4.17Å; A484-W524 HydrophobicContact CB-CZ2 4.47Å |
| 485 | A | 97.2 | Very high | 90 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -61 | -24.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L443 S444 N487 C488 E550 | L443-A485 WeakPolarHBondContact CB-O 3.35Å; L443-A485 HydrophobicContact CD2-CB 4.42Å; L443-A485 HydrophobicContact CG-CB 4.39Å; L443-A485 PolarHBondContact N-O 3.13Å; S444-A485 PolarHBondContact N-O 3.45Å; A485-N487 VanDerWaalsContact C-N 3.26Å; A485-N487 PolarHBondContact O-N 3.32Å; A485-C488 PolarHBondContact O-N 3.27Å; A485-E550 HydrophobicContact CB-CB 4.09Å; A485-E550 PolarHBondContact N-OE2 3.39Å |
| 486 | R | 94.1 | Very high | 90.2 | Very high | 78 Ų | 78 | 28.6 Ų | 28.6 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -68.5 | -24.1 | 172.9 | 61.6 | 171.6 | 177.6 | -73.7 | -9.8 | 113.5 | C442 D482 A484 W524 | C442-R486 WeakPolarHBondContact CB-O 3.34Å; D482-R486 IonicContact OD1-CZ 3.33Å; D482-R486 IonicContact OD1-NH2 3.14Å; D482-R486 PolarHBondContact OD1-NH2 3.17Å; A484-R486 HydrophobicContact CB-CG 3.93Å; A484-R486 PolarHBondContact O-N 2.93Å; A484-R486 VanDerWaalsContact O-N 3.11Å; R486-W524 VanDerWaalsContact NH1-CH2 3.28Å; R486-W524 VanDerWaalsContact NH1-CZ3 3.35Å |
| 487 | N | 94.2 | Very high | 90.6 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 6% | 0.059 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -105.2 | 15.1 | -178.6 | -66.2 | -12.1 | 0 | 0 | 0 | 111.5 | D482 A484 A485 S499 D500 | D482-N487 PolarHBondContact O-ND2 3.28Å; D482-N487 PolarHBondContact OD2-ND2 3.41Å; A484-N487 CarbonylContact O-C 3.6Å; A484-N487 PolarHBondContact O-N 3.23Å; A485-N487 VanDerWaalsContact C-N 3.26Å; A485-N487 PolarHBondContact O-N 3.32Å; N487-S499 VanDerWaalsContact C-OG 3.23Å; N487-S499 CarbonylContact O-C 3.53Å; N487-S499 WeakPolarHBondContact O-CA 3.23Å; N487-S499 WeakPolarHBondContact O-CB 3.46Å; N487-S499 PolarHBondContact O-N 2.94Å; N487-S499 PolarHBondContact O-OG 3.05Å; N487-D500 HydrophobicContact CB-CB 4.17Å |
| 488 | C | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.1 | 164.5 | -65.3 | 0 | 0 | 0 | 0 | 108.2 | C442 L443 V466 A484 A485 I496 K497 | C442-C488 CarbonylContact C-O 3.54Å; C442-C488 WeakPolarHBondContact CA-O 3.28Å; L443-C488 HydrophobicContact CB-CB 3.96Å; L443-C488 WeakPolarHBondContact CB-O 3.45Å; L443-C488 HydrophobicContact CD2-CB 4.03Å; L443-C488 PolarHBondContact N-O 2.96Å; V466-C488 HydrophobicContact CG2-CB 4.45Å; A484-C488 PolarHBondContact O-N 2.65Å; A485-C488 PolarHBondContact O-N 3.27Å; C488-I496 HydrophobicContact CB-CG2 3.81Å; C488-K497 CarbonylContact C-O 3.56Å; C488-K497 WeakPolarHBondContact CA-O 3.43Å |
| 489 | L | 96 | Very high | 91.1 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 21% | 0.209 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148.8 | 179.7 | -58.9 | -174.7 | 0 | 0 | 0 | 110.9 | V419 M438 G441 C442 I496 K497 | V419-L489 HydrophobicContact CG2-CB 4.27Å; V419-L489 HydrophobicContact CG2-CD1 4Å; V419-L489 HydrophobicContact CG2-CG 4.3Å; M438-L489 HydrophobicContact CB-CB 3.71Å; M438-L489 HydrophobicContact CB-CD1 4Å; M438-L489 HydrophobicContact CB-CG 4.45Å; M438-L489 HydrophobicContact CE-CB 3.96Å; M438-L489 WeakPolarHBondContact CE-O 3.46Å; M438-L489 HydrophobicContact CG-CB 3.62Å; M438-L489 HydrophobicContact CG-CD1 3.7Å; M438-L489 HydrophobicContact CG-CG 4.31Å; G441-L489 CarbonylContact O-C 3.53Å; G441-L489 WeakPolarHBondContact O-CA 3.34Å; C442-L489 HydrophobicContact CB-CD2 4.06Å; L489-I496 WeakPolarHBondContact O-CA 3.31Å; L489-K497 PolarHBondContact N-O 3.48Å; L489-K497 PolarHBondContact O-N 3.37Å |
| 490 | V | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118.1 | -178.8 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | H440 G441 L443 Y446 I496 | H440-V490 HydrophobicContact CB-CB 3.75Å; H440-V490 HydrophobicContact CB-CG1 3.86Å; H440-V490 WeakPolarHBondContact CB-O 3.37Å; H440-V490 PolarHBondContact N-O 3.48Å; G441-V490 PolarHBondContact O-N 3.14Å; L443-V490 HydrophobicContact CB-CG2 4Å; L443-V490 HydrophobicContact CD1-CG2 4.02Å; Y446-V490 HydrophobicContact CD1-CG1 4.32Å; Y446-V490 HydrophobicContact CD1-CG2 4.09Å; Y446-V490 HydrophobicContact CD2-CG1 4.25Å; Y446-V490 HydrophobicContact CD2-CG2 4.48Å; Y446-V490 HydrophobicContact CE1-CG1 4.33Å; Y446-V490 HydrophobicContact CE2-CG1 4.26Å; Y446-V490 HydrophobicContact CG-CB 4.37Å; Y446-V490 HydrophobicContact CG-CG1 4.28Å; Y446-V490 HydrophobicContact CG-CG2 3.88Å; V490-I496 HydrophobicContact CB-CD1 4.26Å; V490-I496 HydrophobicContact CG1-CD1 4.04Å; V490-I496 HydrophobicContact CG2-CD1 3.75Å |
| 491 | G | 88.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | trans | -99.6 | -175.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M438 H440 Q494 V495 | M438-G491 VanDerWaalsContact CE-N 3.26Å; H440-G491 PolarHBondContact CD2-O 3.41Å; G491-Q494 PolarHBondContact O-N 3.16Å; G491-Q494 VanDerWaalsContact O-N 3.16Å; G491-V495 PolarHBondContact N-O 3.28Å | ||
| 492 | E | 78.9 | Confident | 87.8 | Confident | 108 Ų | 108 | 28.5 Ų | 28.5 | 51% | 0.505 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -50.6 | 140 | 173.3 | -161.9 | 176.2 | -168.8 | 0 | 0 | 112.1 | E439 Q494 | E439-E492 PolarHBondContact OE2-N 3.12Å; E492-Q494 VanDerWaalsContact C-N 3.28Å; E492-Q494 PolarHBondContact O-N 3.44Å |
| 493 | N | 76.4 | Confident | 86.4 | Confident | 109 Ų | 109 | 29 Ų | 29 | 58% | 0.583 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | 61.7 | 26.2 | -175.7 | -54.5 | -63.8 | 0 | 0 | 0 | 115.4 | V495 | N493-V495 PolarHBondContact O-N 3.16Š|
| 494 | Q | 81.7 | Confident | 85 | Confident | 89 Ų | 89 | 29.4 Ų | 29.4 | 42% | 0.416 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | 63.1 | 24.7 | 175.9 | -51.6 | -179.3 | -0.6 | 0 | 0 | 114.4 | Y446 G491 E492 | Y446-Q494 PolarHBondContact OH-NE2 3.04Å; G491-Q494 PolarHBondContact O-N 3.16Å; G491-Q494 VanDerWaalsContact O-N 3.16Å; E492-Q494 VanDerWaalsContact C-N 3.28Å; E492-Q494 PolarHBondContact O-N 3.44Å |
| 495 | V | 85.4 | Confident | 83.5 | Confident | 35 Ų | 35 | 32.6 Ų | 32.6 | 21% | 0.212 | 16% | 0.161 | C | C | . | . | trans | -71.3 | 132.6 | 172 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | K417 G491 N493 K497 | K417-V495 HydrophobicContact CD-CG1 4.29Å; G491-V495 PolarHBondContact N-O 3.28Å; N493-V495 PolarHBondContact O-N 3.16Å; V495-K497 HydrophobicContact CG1-CG 4.38Å | ||
| 496 | I | 93.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.2 | 176.6 | -48 | -54.2 | 0 | 0 | 0 | 109.3 | L443 M462 D465 V466 C488 L489 V490 | L443-I496 HydrophobicContact CD1-CD1 3.88Å; L443-I496 HydrophobicContact CD2-CG2 4.09Å; M462-I496 HydrophobicContact CB-CD1 4.49Å; M462-I496 HydrophobicContact CB-CG1 3.83Å; M462-I496 HydrophobicContact CG-CD1 4.05Å; M462-I496 HydrophobicContact CG-CG1 3.81Å; D465-I496 HydrophobicContact CB-CB 3.77Å; D465-I496 HydrophobicContact CB-CG1 4.31Å; D465-I496 PolarHBondContact OD2-N 3.01Å; V466-I496 HydrophobicContact CG2-CB 4.34Å; V466-I496 HydrophobicContact CG2-CG2 3.53Å; C488-I496 HydrophobicContact CB-CG2 3.81Å; L489-I496 WeakPolarHBondContact O-CA 3.31Å; V490-I496 HydrophobicContact CB-CD1 4.26Å; V490-I496 HydrophobicContact CG1-CD1 4.04Å; V490-I496 HydrophobicContact CG2-CD1 3.75Å |
| 497 | K | 95.1 | Very high | 80.3 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137 | 171.6 | -57.9 | -171.4 | 173.4 | -165.9 | 0 | 110.6 | P416 K417 V419 E436 M438 C488 L489 V495 | P416-K497 WeakPolarHBondContact O-CE 3.42Å; K417-K497 CarbonylContact O-C 3.51Å; K417-K497 VanDerWaalsContact O-CA 3.29Å; K417-K497 WeakPolarHBondContact O-CA 3.31Å; V419-K497 HydrophobicContact CG2-CB 3.61Å; V419-K497 HydrophobicContact CG2-CD 4.47Å; E436-K497 WeakPolarHBondContact OE1-CD 3.48Å; E436-K497 IonicContact OE1-NZ 2.9Å; E436-K497 PolarHBondContact OE1-NZ 3.26Å; E436-K497 IonicContact OE2-NZ 3.04Å; E436-K497 PolarHBondContact OE2-NZ 3.42Å; M438-K497 HydrophobicContact CE-CB 3.85Å; M438-K497 HydrophobicContact CE-CD 3.77Å; M438-K497 HydrophobicContact CE-CG 3.69Å; M438-K497 HydrophobicContact SD-CD 3.96Å; C488-K497 CarbonylContact C-O 3.56Å; C488-K497 WeakPolarHBondContact CA-O 3.43Å; L489-K497 PolarHBondContact N-O 3.48Å; L489-K497 PolarHBondContact O-N 3.37Å; V495-K497 HydrophobicContact CG1-CG 4.38Å |
| 498 | V | 95.3 | Very high | 77.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 138 | 173.6 | -174 | 0 | 0 | 0 | 0 | 109 | K417 L418 V419 V466 M470 H480 L483 | K417-V498 PolarHBondContact O-N 3.13Å; L418-V498 HydrophobicContact CD2-CB 3.75Å; L418-V498 HydrophobicContact CD2-CG1 4.47Å; L418-V498 HydrophobicContact CD2-CG2 4.34Å; V419-V498 PolarHBondContact N-O 3.14Å; V466-V498 HydrophobicContact CB-CG2 4.41Å; V466-V498 HydrophobicContact CG1-CG2 3.98Å; M470-V498 HydrophobicContact SD-CG1 4.13Å; H480-V498 WeakPolarHBondContact CD2-CG1 3.46Å; H480-V498 VanDerWaalsContact NE2-CG1 3.26Å; H480-V498 WeakPolarHBondContact NE2-CG1 2.98Å; L483-V498 HydrophobicContact CD1-CG1 4.07Å |
| 499 | S | 90.6 | Very high | 76.2 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | trans | -140 | -177.3 | -171.4 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | H480 N487 | H480-S499 PolarHBondContact CE1-O 3.03Å; H480-S499 PolarHBondContact NE2-O 3.39Å; N487-S499 VanDerWaalsContact C-OG 3.23Å; N487-S499 CarbonylContact O-C 3.53Å; N487-S499 WeakPolarHBondContact O-CA 3.23Å; N487-S499 WeakPolarHBondContact O-CB 3.46Å; N487-S499 PolarHBondContact O-N 2.94Å; N487-S499 PolarHBondContact O-OG 3.05Å | ||
| 500 | D | 77 | Confident | 74.9 | Confident | 43 Ų | 43 | 47 Ų | 47 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | trans | 57.7 | 59.5 | 175.1 | -151.5 | 10.1 | 0 | 0 | 0 | 113.8 | K391 N487 G502 | K391-D500 IonicContact NZ-OD1 3.64Å; K391-D500 PolarHBondContact NZ-OD1 2.87Å; N487-D500 HydrophobicContact CB-CB 4.17Å; D500-G502 PolarHBondContact O-N 3.29Å; D500-G502 VanDerWaalsContact O-N 3.09Å | ||
| 501 | F | 66.1 | Low | 73.8 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | trans | -73 | 13.8 | 173.1 | -52.7 | -83.2 | 0 | 0 | 0 | 113.6 | M410 L413 L418 L473 M503 T504 | M410-F501 HydrophobicContact CE-CB 3.62Å; M410-F501 HydrophobicContact CE-CD2 3.51Å; M410-F501 HydrophobicContact CE-CG 3.98Å; M410-F501 HydrophobicContact CG-CB 3.74Å; M410-F501 HydrophobicContact CG-CD2 4.47Å; M410-F501 HydrophobicContact CG-CG 4.24Å; M410-F501 HydrophobicContact SD-CB 3.59Å; M410-F501 VanDerWaalsContact SD-CB 3.59Å; M410-F501 HydrophobicContact SD-CG 4.44Å; L413-F501 HydrophobicContact CD1-CE1 4.41Å; L418-F501 HydrophobicContact CB-CZ 4.05Å; L418-F501 HydrophobicContact CD1-CE1 4.41Å; L418-F501 HydrophobicContact CD1-CZ 4.11Å; L418-F501 HydrophobicContact CD2-CE1 4.26Å; L418-F501 HydrophobicContact CD2-CZ 3.97Å; L418-F501 HydrophobicContact CG-CZ 4.25Å; L473-F501 HydrophobicContact CD1-CE1 4Å; L473-F501 HydrophobicContact CD2-CE1 4.11Å; F501-M503 PolarHBondContact O-N 2.89Å; F501-T504 WeakPolarHBondContact CA-OG1 3.44Å; F501-T504 HydrophobicContact CB-CG2 4.46Å; F501-T504 WeakPolarHBondContact CB-OG1 3.38Å; F501-T504 HydrophobicContact CD1-CG2 4.31Å; F501-T504 WeakPolarHBondContact O-CB 3.48Å; F501-T504 PolarHBondContact O-N 2.84Å; F501-T504 PolarHBondContact O-OG1 3.12Å | ||
| 502 | G | 58.3 | Low | 73.2 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D500 | D500-G502 PolarHBondContact O-N 3.29Å; D500-G502 VanDerWaalsContact O-N 3.09Å |
| 503 | M | 61.5 | Low | 73.2 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | 3.5 | 170.7 | -69.6 | -69.3 | -75.2 | 0 | 0 | 111.4 | F374 R481 F501 T518 | F374-M503 HydrophobicContact CE1-SD 4.21Å; F374-M503 HydrophobicContact CE2-CG 4.19Å; F374-M503 HydrophobicContact CZ-CG 3.74Å; F374-M503 HydrophobicContact CZ-SD 3.61Å; R481-M503 HydrophobicContact CB-CB 4.37Å; R481-M503 WeakPolarHBondContact CD-O 3.45Å; R481-M503 PolarHBondContact NH1-O 2.94Å; F501-M503 PolarHBondContact O-N 2.89Å; M503-T518 HydrophobicContact CE-CG2 4.32Å |
| 504 | T | 66.8 | Low | 73.1 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | trans | -73 | 142.9 | -172.2 | -68.8 | 0 | 0 | 0 | 0 | 111.1 | V478 I479 F501 | V478-T504 HydrophobicContact CG1-CG2 3.03Å; I479-T504 VanDerWaalsContact O-CA 3.3Å; I479-T504 WeakPolarHBondContact O-CA 3.45Å; F501-T504 WeakPolarHBondContact CA-OG1 3.44Å; F501-T504 HydrophobicContact CB-CG2 4.46Å; F501-T504 WeakPolarHBondContact CB-OG1 3.38Å; F501-T504 HydrophobicContact CD1-CG2 4.31Å; F501-T504 WeakPolarHBondContact O-CB 3.48Å; F501-T504 PolarHBondContact O-N 2.84Å; F501-T504 PolarHBondContact O-OG1 3.12Å | ||
| 505 | R | 64.9 | Low | 72.6 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 25% | 0.253 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.2 | 177.7 | -68.5 | -68.9 | 170.4 | 150.2 | -3.6 | 110.8 | E406 I479 V507 | E406-R505 IonicContact OE1-CZ 3.24Å; E406-R505 VanDerWaalsContact OE1-CZ 3.24Å; E406-R505 IonicContact OE1-NE 3.23Å; E406-R505 PolarHBondContact OE1-NE 3.06Å; E406-R505 IonicContact OE1-NH2 2.72Å; E406-R505 PolarHBondContact OE1-NH2 3.28Å; I479-R505 PolarHBondContact N-O 3.02Å; I479-R505 PolarHBondContact O-N 2.78Å; I479-R505 VanDerWaalsContact O-N 3.12Å; R505-V507 HydrophobicContact CB-CG2 3.97Å |
| 506 | F | 59.8 | Low | 71.3 | Confident | 108 Ų | 108 | 54.8 Ų | 54.8 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 122.5 | 168 | 179.2 | -99 | 0 | 0 | 0 | 109.2 | V409 A476 C477 V478 L508 | V409-F506 HydrophobicContact CG1-CB 4.13Å; V409-F506 HydrophobicContact CG2-CB 4.17Å; A476-F506 VanDerWaalsContact O-CE2 3.28Å; A476-F506 WeakPolarHBondContact O-CE2 3.32Å; C477-F506 HydrophobicContact CB-CD2 4.48Å; C477-F506 HydrophobicContact CB-CE2 4.08Å; V478-F506 HydrophobicContact CG2-CD2 4.08Å; F506-L508 HydrophobicContact CE1-CD1 4.42Å; F506-L508 HydrophobicContact CE1-CD2 3.66Å; F506-L508 HydrophobicContact CE1-CG 3.72Å; F506-L508 HydrophobicContact CZ-CD2 3.52Å; F506-L508 HydrophobicContact CZ-CG 4.11Å |
| 507 | V | 63.4 | Low | 69.7 | Low | 13 Ų | 13 | 58.3 Ų | 58.3 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | trans | -141.7 | 104.2 | -170.5 | -174.9 | 0 | 0 | 0 | 0 | 110 | C477 I479 R505 D509 D510 Q511 | C477-V507 PolarHBondContact O-N 3.15Å; I479-V507 HydrophobicContact CD1-CB 3.85Å; I479-V507 HydrophobicContact CD1-CG1 4.25Å; I479-V507 HydrophobicContact CD1-CG2 3.79Å; I479-V507 HydrophobicContact CG1-CB 4.46Å; I479-V507 HydrophobicContact CG1-CG2 4.44Å; R505-V507 HydrophobicContact CB-CG2 3.97Å; V507-D509 VanDerWaalsContact C-N 3.32Å; V507-D509 VanDerWaalsContact CG1-OD1 3.25Å; V507-D509 WeakPolarHBondContact CG1-OD1 3.1Å; V507-D509 PolarHBondContact O-N 3.14Å; V507-D510 PolarHBondContact O-N 2.8Å; V507-Q511 WeakPolarHBondContact CG1-O 3.49Å | ||
| 508 | L | 40.8 | Very low | 68.2 | Low | 141 Ų | 141 | 58.8 Ų | 58.8 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.2 | -173.7 | -73.1 | 171 | 0 | 0 | 0 | 114.3 | F506 | F506-L508 HydrophobicContact CE1-CD1 4.42Å; F506-L508 HydrophobicContact CE1-CD2 3.66Å; F506-L508 HydrophobicContact CE1-CG 3.72Å; F506-L508 HydrophobicContact CZ-CD2 3.52Å; F506-L508 HydrophobicContact CZ-CG 4.11Å |
| 509 | D | 64 | Low | 67 | Low | 116 Ų | 116 | 66.8 Ų | 66.8 | 62% | 0.62 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 11.6 | -178.9 | 65.9 | -25 | 0 | 0 | 0 | 113.3 | V507 Q511 | V507-D509 VanDerWaalsContact C-N 3.32Å; V507-D509 VanDerWaalsContact CG1-OD1 3.25Å; V507-D509 WeakPolarHBondContact CG1-OD1 3.1Å; V507-D509 PolarHBondContact O-N 3.14Å; D509-Q511 PolarHBondContact O-N 2.8Å; D509-Q511 VanDerWaalsContact O-N 3.12Å |
| 510 | D | 68.9 | Low | 66.4 | Low | 53 Ų | 53 | 68.9 Ų | 68.9 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 53.9 | 27.6 | 178.9 | -167.9 | 37 | 0 | 0 | 0 | 114.1 | V507 S536 S537 | V507-D510 PolarHBondContact O-N 2.8Å; D510-S536 WeakPolarHBondContact O-CA 3.33Å; D510-S536 WeakPolarHBondContact O-CB 3.25Å; D510-S537 VanDerWaalsContact OD1-CB 3.25Å; D510-S537 WeakPolarHBondContact OD1-CB 3.27Å; D510-S537 PolarHBondContact OD1-N 3.22Å; D510-S537 PolarHBondContact OD1-OG 3.34Å; D510-S537 WeakPolarHBondContact OD2-CB 3.36Å; D510-S537 PolarHBondContact OD2-OG 2.79Å |
| 511 | Q | 72.7 | Confident | 67 | Low | 103 Ų | 103 | 68.3 Ų | 68.3 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | trans | -140.2 | 123 | 177.3 | -73.8 | -174.8 | 63.4 | 0 | 0 | 112.1 | V507 D509 | V507-Q511 WeakPolarHBondContact CG1-O 3.49Å; D509-Q511 PolarHBondContact O-N 2.8Å; D509-Q511 VanDerWaalsContact O-N 3.12Å | ||
| 512 | Y | 76.9 | Confident | 68.2 | Low | 69 Ų | 69 | 69 Ų | 69 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.5 | 176.1 | 176.4 | -99.9 | 0 | 0 | 0 | 110.9 | R534 Y535 | Y512-R534 CarbonylContact O-C 3.58Å; Y512-R534 WeakPolarHBondContact O-CA 3.38Å; Y512-Y535 HydrophobicContact CD1-CD2 4.12Å; Y512-Y535 PolarHBondContact N-O 3.16Å; Y512-Y535 PolarHBondContact O-N 3.15Å |
| 513 | T | 77.9 | Confident | 70 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 56% | 0.564 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 116 | 174.4 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | S533 | T513-S533 WeakPolarHBondContact CA-O 3.36Å |
| 514 | S | 74.7 | Confident | 71.7 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 8% | 0.077 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 157.4 | 178.2 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | T518 S533 | S514-T518 PolarHBondContact OG-OG1 2.8Å; S514-S533 PolarHBondContact N-O 2.73Å |
| 515 | S | 71.2 | Confident | 73 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 60% | 0.601 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 148.6 | 173 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | G517 T518 | S515-G517 PolarHBondContact O-N 3.43Å; S515-T518 PolarHBondContact O-N 2.78Å; S515-T518 PolarHBondContact O-OG1 2.83Å |
| 516 | T | 57.6 | Low | 74.6 | Confident | 149 Ų | 149 | 66.1 Ų | 66.1 | 91% | 0.914 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 127 | -177.6 | -26.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 517 | G | 59.5 | Low | 76.3 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 76% | 0.763 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | 1.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S515 K519 | S515-G517 PolarHBondContact O-N 3.43Å; G517-K519 PolarHBondContact O-N 2.82Å |
| 518 | T | 64.5 | Low | 77.8 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | trans | -60.3 | 129.5 | 169.7 | -44.3 | 0 | 0 | 0 | 0 | 110.3 | M503 S514 S515 F520 | M503-T518 HydrophobicContact CE-CG2 4.32Å; S514-T518 PolarHBondContact OG-OG1 2.8Å; S515-T518 PolarHBondContact O-N 2.78Å; S515-T518 PolarHBondContact O-OG1 2.83Å; T518-F520 WeakPolarHBondContact O-CD1 3.47Å | ||
| 519 | K | 70.7 | Confident | 80.3 | Confident | 168 Ų | 168 | 55.1 Ų | 55.1 | 73% | 0.73 | 31% | 0.312 | S | S | * | . | trans | -73.2 | 136.4 | 173.1 | -66.3 | -177.4 | -178.5 | 177 | 0 | 109.6 | G517 | G517-K519 PolarHBondContact O-N 2.82Š| ||
| 520 | F | 78.1 | Confident | 81.5 | Confident | 52 Ų | 52 | 51 Ų | 51 | 23% | 0.228 | 29% | 0.288 | C | S | . | . | trans | -143.3 | 159.2 | 179.5 | 62.7 | -96 | 0 | 0 | 0 | 110.6 | T518 V522 A525 V529 F530 Y535 | T518-F520 WeakPolarHBondContact O-CD1 3.47Å; F520-V522 HydrophobicContact CD2-CG2 4.23Å; F520-V522 HydrophobicContact CE2-CB 4.37Å; F520-V522 HydrophobicContact CE2-CG2 3.77Å; F520-V522 HydrophobicContact CZ-CG2 4.31Å; F520-V522 PolarHBondContact O-N 2.79Å; F520-A525 HydrophobicContact CD2-CB 3.81Å; F520-A525 HydrophobicContact CE2-CB 3.87Å; F520-V529 HydrophobicContact CD2-CG1 4.23Å; F520-V529 HydrophobicContact CE2-CG1 4.48Å; F520-V529 HydrophobicContact CG-CG1 4.49Å; F520-F530 HydrophobicContact CE2-CB 3.68Å; F520-F530 HydrophobicContact CZ-CB 3.63Å; F520-Y535 WeakPolarHBondContact CB-OH 3.48Å | ||
| 521 | P | 88.1 | Confident | 82.5 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | trans | -76.5 | 83.1 | -176.6 | 35.7 | -43.4 | 0 | 0 | 0 | 112.1 | D482 K523 W524 A525 | D482-P521 VanDerWaalsContact OD1-CG 3.28Å; D482-P521 WeakPolarHBondContact OD1-CG 3.46Å; P521-K523 PolarHBondContact O-N 3.48Å; P521-W524 HydrophobicContact CB-CE3 4.02Å; P521-W524 HydrophobicContact CG-CB 4.47Å; P521-W524 PolarHBondContact O-N 2.99Å; P521-A525 PolarHBondContact O-N 2.88Å | ||
| 522 | V | 92.7 | Very high | 83.2 | Confident | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -45 | -42.3 | -172.5 | 179.8 | 0 | 0 | 0 | 0 | 114.4 | F520 W524 A525 N564 V568 | F520-V522 HydrophobicContact CD2-CG2 4.23Å; F520-V522 HydrophobicContact CE2-CB 4.37Å; F520-V522 HydrophobicContact CE2-CG2 3.77Å; F520-V522 HydrophobicContact CZ-CG2 4.31Å; F520-V522 PolarHBondContact O-N 2.79Å; V522-W524 PolarHBondContact O-N 3.45Å; V522-A525 PolarHBondContact O-N 3.42Å; V522-N564 HydrophobicContact CB-CB 4Å; V522-N564 HydrophobicContact CG1-CB 3.91Å; V522-N564 HydrophobicContact CG2-CB 4.03Å; V522-V568 HydrophobicContact CG1-CG2 3.73Å |
| 523 | K | 95.9 | Very high | 83.8 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -68.9 | -15.1 | -176.8 | -69 | 175.4 | 168.2 | -148.2 | 0 | 115 | P521 P558 Y559 R562 V567 | P521-K523 PolarHBondContact O-N 3.48Å; K523-P558 HydrophobicContact CB-CB 4.43Å; K523-P558 VanDerWaalsContact CD-O 3.3Å; K523-P558 WeakPolarHBondContact CD-O 3.24Å; K523-P558 PolarHBondContact NZ-O 3.25Å; K523-P558 VanDerWaalsContact NZ-O 3.17Å; K523-Y559 HydrophobicContact CB-CD2 4.29Å; K523-Y559 HydrophobicContact CG-CD2 4.32Å; K523-Y559 PolarHBondContact NZ-O 3.17Å; K523-R562 WeakPolarHBondContact CE-O 3.36Å; K523-R562 PolarHBondContact NZ-O 3.1Å; K523-V567 HydrophobicContact CG-CG1 4.48Å; K523-V567 HydrophobicContact CG-CG2 4.31Å |
| 524 | W | 96.4 | Very high | 84.4 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -108.4 | -12 | 175.1 | -69.2 | -103 | 0 | 0 | 0 | 112.3 | A484 R486 P521 V522 W542 S543 V546 E550 P558 | A484-W524 HydrophobicContact CB-CD2 4.25Å; A484-W524 HydrophobicContact CB-CG 4.17Å; A484-W524 HydrophobicContact CB-CZ2 4.47Å; R486-W524 VanDerWaalsContact NH1-CH2 3.28Å; R486-W524 VanDerWaalsContact NH1-CZ3 3.35Å; P521-W524 HydrophobicContact CB-CE3 4.02Å; P521-W524 HydrophobicContact CG-CB 4.47Å; P521-W524 PolarHBondContact O-N 2.99Å; V522-W524 PolarHBondContact O-N 3.45Å; W524-W542 VanDerWaalsContact O-CD1 3.23Å; W524-S543 PolarHBondContact O-OG 2.97Å; W524-S543 VanDerWaalsContact O-OG 3.09Å; W524-V546 VanDerWaalsContact CD1-CG1 3.49Å; W524-V546 HydrophobicContact CD2-CG1 4.44Å; W524-V546 HydrophobicContact CG-CB 4.43Å; W524-V546 HydrophobicContact CG-CG1 4Å; W524-E550 WeakPolarHBondContact CZ2-OE1 3.25Å; W524-E550 PolarHBondContact NE1-OE2 2.89Å; W524-P558 HydrophobicContact CH2-CG 4.26Å; W524-P558 HydrophobicContact CZ2-CG 3.71Å |
| 525 | A | 95.1 | Very high | 85.3 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | trans | -74.8 | 143 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F520 P521 V522 V529 F530 W542 | F520-A525 HydrophobicContact CD2-CB 3.81Å; F520-A525 HydrophobicContact CE2-CB 3.87Å; P521-A525 PolarHBondContact O-N 2.88Å; V522-A525 PolarHBondContact O-N 3.42Å; A525-V529 HydrophobicContact CB-CB 4.15Å; A525-V529 HydrophobicContact CB-CG1 3.86Å; A525-F530 HydrophobicContact CB-CD1 4.37Å; A525-W542 PolarHBondContact O-NE1 2.93Å; A525-W542 VanDerWaalsContact O-NE1 3.15Å | ||
| 526 | S | 96.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -77.1 | 162.6 | 171.7 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | E528 V529 F530 S539 | S526-E528 VanDerWaalsContact C-N 3.31Å; S526-E528 VanDerWaalsContact CB-OE1 3.24Å; S526-E528 WeakPolarHBondContact CB-OE1 3.41Å; S526-E528 WeakPolarHBondContact CB-OE2 3.45Å; S526-E528 PolarHBondContact O-N 3.45Å; S526-E528 PolarHBondContact OG-OE1 2.87Å; S526-E528 PolarHBondContact OG-OE2 2.77Å; S526-V529 WeakPolarHBondContact O-CB 3.43Å; S526-V529 PolarHBondContact O-N 3.05Å; S526-V529 VanDerWaalsContact OG-CG2 3.29Å; S526-V529 WeakPolarHBondContact OG-CG2 3.38Å; S526-F530 WeakPolarHBondContact O-CD1 3.09Å; S526-F530 PolarHBondContact O-N 3.26Å; S526-F530 VanDerWaalsContact O-N 3.16Å; S526-S539 WeakPolarHBondContact OG-CB 3.46Å | ||
| 527 | P | 95.9 | Very high | 88.2 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.2 | -43.6 | -179.9 | -28.7 | 36 | 0 | 0 | 0 | 115.2 | V529 F530 S531 W542 I571 | P527-V529 VanDerWaalsContact C-N 3.31Å; P527-V529 PolarHBondContact O-N 3.21Å; P527-F530 VanDerWaalsContact CA-CE1 3.46Å; P527-F530 HydrophobicContact CB-CE1 4.38Å; P527-F530 HydrophobicContact CB-CE2 4.39Å; P527-F530 HydrophobicContact CB-CZ 3.97Å; P527-F530 HydrophobicContact CG-CE1 4.43Å; P527-F530 HydrophobicContact CG-CZ 4.27Å; P527-F530 WeakPolarHBondContact O-CD2 3.26Å; P527-S531 WeakPolarHBondContact O-CB 3.45Å; P527-S531 PolarHBondContact O-N 2.73Å; P527-S531 PolarHBondContact O-OG 3.2Å; P527-W542 HydrophobicContact CG-CH2 3.9Å; P527-W542 HydrophobicContact CG-CZ3 3.98Å; P527-I571 HydrophobicContact CG-CG2 3.91Å |
| 528 | E | 94.9 | Very high | 90 | Very high | 18 Ų | 18 | 40 Ų | 40 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.9 | -25.3 | 179.1 | 69 | -76.7 | 178 | 0 | 0 | 113.5 | S526 F532 S533 R534 P599 R602 | S526-E528 VanDerWaalsContact C-N 3.31Å; S526-E528 VanDerWaalsContact CB-OE1 3.24Å; S526-E528 WeakPolarHBondContact CB-OE1 3.41Å; S526-E528 WeakPolarHBondContact CB-OE2 3.45Å; S526-E528 PolarHBondContact O-N 3.45Å; S526-E528 PolarHBondContact OG-OE1 2.87Å; S526-E528 PolarHBondContact OG-OE2 2.77Å; E528-F532 HydrophobicContact CB-CD2 4.37Å; E528-F532 CarbonylContact O-C 3.42Å; E528-F532 WeakPolarHBondContact O-CA 3.3Å; E528-F532 WeakPolarHBondContact O-CB 3.45Å; E528-F532 PolarHBondContact O-N 3.03Å; E528-S533 PolarHBondContact O-N 3.49Å; E528-R534 HydrophobicContact CB-CB 4.47Å; E528-R534 HydrophobicContact CG-CB 4.46Å; E528-R534 PolarHBondContact O-N 3.31Å; E528-P599 HydrophobicContact CG-CG 4.11Å; E528-R602 IonicContact OE1-CZ 2.87Å; E528-R602 IonicContact OE1-NH1 2.76Å; E528-R602 PolarHBondContact OE1-NH1 3.45Å; E528-R602 IonicContact OE1-NH2 2.83Å; E528-R602 PolarHBondContact OE1-NH2 3.06Å; E528-R602 IonicContact OE2-CZ 3.89Å; E528-R602 IonicContact OE2-NH1 2.66Å; E528-R602 IonicContact OE2-NH2 2.77Å; E528-R602 PolarHBondContact OE2-NH2 3.49Å |
| 529 | V | 93.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73 | -51.5 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | F520 A525 S526 P527 S531 S533 R534 Y535 | F520-V529 HydrophobicContact CD2-CG1 4.23Å; F520-V529 HydrophobicContact CE2-CG1 4.48Å; F520-V529 HydrophobicContact CG-CG1 4.49Å; A525-V529 HydrophobicContact CB-CB 4.15Å; A525-V529 HydrophobicContact CB-CG1 3.86Å; S526-V529 WeakPolarHBondContact O-CB 3.43Å; S526-V529 PolarHBondContact O-N 3.05Å; S526-V529 VanDerWaalsContact OG-CG2 3.29Å; S526-V529 WeakPolarHBondContact OG-CG2 3.38Å; P527-V529 VanDerWaalsContact C-N 3.31Å; P527-V529 PolarHBondContact O-N 3.21Å; V529-S531 VanDerWaalsContact C-N 3.33Å; V529-S531 PolarHBondContact O-N 2.93Å; V529-S533 WeakPolarHBondContact O-CA 3.44Å; V529-S533 PolarHBondContact O-N 3.43Å; V529-R534 WeakPolarHBondContact CG2-O 3.17Å; V529-Y535 HydrophobicContact CG1-CD1 4.29Å; V529-Y535 HydrophobicContact CG1-CE1 3.6Å; V529-Y535 HydrophobicContact CG1-CE2 4.26Å; V529-Y535 HydrophobicContact CG2-CD1 3.89Å; V529-Y535 HydrophobicContact CG2-CE1 4.03Å; V529-Y535 HydrophobicContact CG2-CG 4.29Å |
| 530 | F | 89.6 | Confident | 92.8 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 13% | 0.127 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.9 | -23.5 | -177.8 | 59.8 | -116 | 0 | 0 | 0 | 113.8 | F520 A525 S526 P527 V568 I571 | F520-F530 HydrophobicContact CE2-CB 3.68Å; F520-F530 HydrophobicContact CZ-CB 3.63Å; A525-F530 HydrophobicContact CB-CD1 4.37Å; S526-F530 WeakPolarHBondContact O-CD1 3.09Å; S526-F530 PolarHBondContact O-N 3.26Å; S526-F530 VanDerWaalsContact O-N 3.16Å; P527-F530 VanDerWaalsContact CA-CE1 3.46Å; P527-F530 HydrophobicContact CB-CE1 4.38Å; P527-F530 HydrophobicContact CB-CE2 4.39Å; P527-F530 HydrophobicContact CB-CZ 3.97Å; P527-F530 HydrophobicContact CG-CE1 4.43Å; P527-F530 HydrophobicContact CG-CZ 4.27Å; P527-F530 WeakPolarHBondContact O-CD2 3.26Å; F530-V568 HydrophobicContact CB-CG2 4.34Å; F530-V568 HydrophobicContact CD1-CG2 4.31Å; F530-V568 HydrophobicContact CD2-CG1 3.81Å; F530-V568 HydrophobicContact CD2-CG2 4.11Å; F530-V568 HydrophobicContact CE2-CB 4.48Å; F530-V568 HydrophobicContact CE2-CG1 3.71Å; F530-V568 HydrophobicContact CE2-CG2 4.45Å; F530-V568 HydrophobicContact CG-CG2 4.03Å; F530-V568 HydrophobicContact CZ-CG1 4.31Å; F530-I571 HydrophobicContact CE1-CB 4.34Å; F530-I571 HydrophobicContact CE1-CD1 4.3Å; F530-I571 HydrophobicContact CE1-CG2 3.95Å; F530-I571 HydrophobicContact CZ-CB 4.23Å; F530-I571 HydrophobicContact CZ-CG2 3.88Å |
| 531 | S | 89.3 | Confident | 93.8 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 46% | 0.455 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -86.6 | -37.6 | 178.6 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | P527 V529 | P527-S531 WeakPolarHBondContact O-CB 3.45Å; P527-S531 PolarHBondContact O-N 2.73Å; P527-S531 PolarHBondContact O-OG 3.2Å; V529-S531 VanDerWaalsContact C-N 3.33Å; V529-S531 PolarHBondContact O-N 2.93Å |
| 532 | F | 89.2 | Confident | 94.3 | Very high | 134 Ų | 134 | 26.3 Ų | 26.3 | 59% | 0.588 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -132.4 | 1.9 | -168.6 | -48.9 | -64.5 | 0 | 0 | 0 | 113.9 | E528 R534 | E528-F532 HydrophobicContact CB-CD2 4.37Å; E528-F532 CarbonylContact O-C 3.42Å; E528-F532 WeakPolarHBondContact O-CA 3.3Å; E528-F532 WeakPolarHBondContact O-CB 3.45Å; E528-F532 PolarHBondContact O-N 3.03Å; F532-R534 HydrophobicContact CB-CB 4.46Å; F532-R534 HydrophobicContact CB-CG 3.81Å; F532-R534 PolarHBondContact O-N 3.43Å |
| 533 | S | 89.2 | Confident | 94.6 | Very high | 22 Ų | 22 | 25.8 Ų | 25.8 | 15% | 0.154 | 13% | 0.126 | C | C | . | . | trans | 54.2 | 31.4 | -174.3 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | T513 S514 E528 V529 Y535 | T513-S533 WeakPolarHBondContact CA-O 3.36Å; S514-S533 PolarHBondContact N-O 2.73Å; E528-S533 PolarHBondContact O-N 3.49Å; V529-S533 WeakPolarHBondContact O-CA 3.44Å; V529-S533 PolarHBondContact O-N 3.43Å; S533-Y535 VanDerWaalsContact O-CD2 3.3Å; S533-Y535 WeakPolarHBondContact O-CD2 3.43Å; S533-Y535 WeakPolarHBondContact O-CE2 3.39Å | ||
| 534 | R | 90.8 | Very high | 94.7 | Very high | 114 Ų | 114 | 24.5 Ų | 24.5 | 43% | 0.43 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 112.4 | -179.3 | -70.4 | 178.6 | 70.2 | -179.2 | 2.1 | 110.7 | Y512 E528 V529 F532 | Y512-R534 CarbonylContact O-C 3.58Å; Y512-R534 WeakPolarHBondContact O-CA 3.38Å; E528-R534 HydrophobicContact CB-CB 4.47Å; E528-R534 HydrophobicContact CG-CB 4.46Å; E528-R534 PolarHBondContact O-N 3.31Å; V529-R534 WeakPolarHBondContact CG2-O 3.17Å; F532-R534 HydrophobicContact CB-CB 4.46Å; F532-R534 HydrophobicContact CB-CG 3.81Å; F532-R534 PolarHBondContact O-N 3.43Å |
| 535 | Y | 91.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 146.6 | 177.9 | -62 | -94.3 | 0 | 0 | 0 | 110.7 | R481 Y512 F520 V529 S533 | R481-Y535 HydrophobicContact CB-CD1 3.8Å; R481-Y535 HydrophobicContact CB-CE1 3.98Å; R481-Y535 HydrophobicContact CG-CD1 3.63Å; R481-Y535 HydrophobicContact CG-CE1 4.27Å; R481-Y535 HydrophobicContact CG-CG 3.98Å; Y512-Y535 HydrophobicContact CD1-CD2 4.12Å; Y512-Y535 PolarHBondContact N-O 3.16Å; Y512-Y535 PolarHBondContact O-N 3.15Å; F520-Y535 WeakPolarHBondContact CB-OH 3.48Å; V529-Y535 HydrophobicContact CG1-CD1 4.29Å; V529-Y535 HydrophobicContact CG1-CE1 3.6Å; V529-Y535 HydrophobicContact CG1-CE2 4.26Å; V529-Y535 HydrophobicContact CG2-CD1 3.89Å; V529-Y535 HydrophobicContact CG2-CE1 4.03Å; V529-Y535 HydrophobicContact CG2-CG 4.29Å; S533-Y535 VanDerWaalsContact O-CD2 3.3Å; S533-Y535 WeakPolarHBondContact O-CD2 3.43Å; S533-Y535 WeakPolarHBondContact O-CE2 3.39Å |
| 536 | S | 94.4 | Very high | 95 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 8% | 0.084 | 11% | 0.113 | C | C | . | . | trans | -161 | 170.9 | 176.4 | 60.6 | 0 | 0 | 0 | 0 | 110 | D510 K538 S539 D540 | D510-S536 WeakPolarHBondContact O-CA 3.33Å; D510-S536 WeakPolarHBondContact O-CB 3.25Å; S536-K538 PolarHBondContact O-N 3.36Å; S536-K538 VanDerWaalsContact O-N 3.1Å; S536-K538 WeakPolarHBondContact OG-CB 3.48Å; S536-K538 PolarHBondContact OG-N 3.41Å; S536-S539 PolarHBondContact N-OG 3.22Å; S536-S539 WeakPolarHBondContact O-CB 3.17Å; S536-S539 PolarHBondContact O-N 2.88Å; S536-S539 PolarHBondContact O-OG 2.98Å; S536-S539 PolarHBondContact OG-N 3.48Å; S536-D540 PolarHBondContact O-N 3.37Å | ||
| 537 | S | 95.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -47.9 | -36.5 | 165.8 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | D510 S539 D540 V541 | D510-S537 VanDerWaalsContact OD1-CB 3.25Å; D510-S537 WeakPolarHBondContact OD1-CB 3.27Å; D510-S537 PolarHBondContact OD1-N 3.22Å; D510-S537 PolarHBondContact OD1-OG 3.34Å; D510-S537 WeakPolarHBondContact OD2-CB 3.36Å; D510-S537 PolarHBondContact OD2-OG 2.79Å; S537-S539 PolarHBondContact O-N 3.39Å; S537-D540 WeakPolarHBondContact O-CB 3.36Å; S537-D540 PolarHBondContact O-N 2.9Å; S537-V541 WeakPolarHBondContact O-CG2 3.16Å; S537-V541 PolarHBondContact O-N 2.93Å |
| 538 | K | 97.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 22.4 Ų | 22.4 | 19% | 0.187 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.1 | -28.4 | 178.8 | -55.2 | -56.1 | -176 | 173.5 | 0 | 113.8 | S536 W542 P599 R602 P603 | S536-K538 PolarHBondContact O-N 3.36Å; S536-K538 VanDerWaalsContact O-N 3.1Å; S536-K538 WeakPolarHBondContact OG-CB 3.48Å; S536-K538 PolarHBondContact OG-N 3.41Å; K538-W542 PolarHBondContact O-N 3.43Å; K538-P599 HydrophobicContact CB-CB 3.79Å; K538-P599 HydrophobicContact CG-CB 4.25Å; K538-P599 WeakPolarHBondContact CG-O 3.14Å; K538-R602 HydrophobicContact CD-CB 4.38Å; K538-R602 PolarHBondContact NZ-O 3.43Å; K538-R602 WeakPolarHBondContact O-CD 3.28Å; K538-R602 PolarHBondContact O-NH1 2.99Å; K538-P603 PolarHBondContact NZ-O 3.14Å |
| 539 | S | 97.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.6 | -36.2 | 170 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | S526 S536 S537 W542 S543 | S526-S539 WeakPolarHBondContact OG-CB 3.46Å; S536-S539 PolarHBondContact N-OG 3.22Å; S536-S539 WeakPolarHBondContact O-CB 3.17Å; S536-S539 PolarHBondContact O-N 2.88Å; S536-S539 PolarHBondContact O-OG 2.98Å; S536-S539 PolarHBondContact OG-N 3.48Å; S537-S539 PolarHBondContact O-N 3.39Å; S539-W542 WeakPolarHBondContact O-CB 3.29Å; S539-W542 PolarHBondContact O-N 3.23Å; S539-S543 PolarHBondContact O-N 3.48Å; S539-S543 VanDerWaalsContact O-N 3.16Å; S539-S543 PolarHBondContact O-OG 3.5Å |
| 540 | D | 97.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.6 | -34.4 | 173.3 | -75 | -24.2 | 0 | 0 | 0 | 112.1 | M470 I479 H480 R481 S536 S537 W542 S543 F544 F605 | M470-D540 HydrophobicContact CE-CB 3.81Å; I479-D540 WeakPolarHBondContact CG2-OD2 3.28Å; H480-D540 PolarHBondContact N-OD2 2.84Å; R481-D540 PolarHBondContact N-OD1 2.89Å; S536-D540 PolarHBondContact O-N 3.37Å; S537-D540 WeakPolarHBondContact O-CB 3.36Å; S537-D540 PolarHBondContact O-N 2.9Å; D540-W542 VanDerWaalsContact C-N 3.29Å; D540-W542 PolarHBondContact O-N 2.98Å; D540-S543 CarbonylContact O-C 3.45Å; D540-S543 WeakPolarHBondContact O-CB 3.28Å; D540-S543 PolarHBondContact O-N 3.22Å; D540-F544 WeakPolarHBondContact O-CB 3.2Å; D540-F544 PolarHBondContact O-N 3.32Å; D540-F605 HydrophobicContact CB-CE2 3.93Å; D540-F605 HydrophobicContact CB-CZ 4.07Å |
| 541 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 172.5 | 168 | 0 | 0 | 0 | 0 | 111.3 | S537 F544 G545 C594 R602 P603 F605 L608 | S537-V541 WeakPolarHBondContact O-CG2 3.16Å; S537-V541 PolarHBondContact O-N 2.93Å; V541-F544 WeakPolarHBondContact O-CB 3.43Å; V541-F544 PolarHBondContact O-N 3.15Å; V541-G545 PolarHBondContact O-N 3.47Å; V541-C594 HydrophobicContact CG1-CB 4.04Å; V541-C594 VanDerWaalsContact O-CB 3.31Å; V541-C594 WeakPolarHBondContact O-CB 3.47Å; V541-R602 HydrophobicContact CG1-CB 3.91Å; V541-P603 HydrophobicContact CG1-CG 4.47Å; V541-P603 WeakPolarHBondContact CG2-O 3.32Å; V541-F605 HydrophobicContact CG2-CD2 3.85Å; V541-F605 HydrophobicContact CG2-CE1 4.43Å; V541-F605 HydrophobicContact CG2-CE2 3.62Å; V541-F605 HydrophobicContact CG2-CG 4.36Å; V541-F605 HydrophobicContact CG2-CZ 3.94Å; V541-L608 HydrophobicContact CG1-CD1 4.01Å; V541-L608 HydrophobicContact CG2-CD1 4.38Å |
| 542 | W | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.7 | -49.7 | 174.2 | 178.4 | -74.7 | 0 | 0 | 0 | 111.3 | W524 A525 P527 K538 S539 D540 F544 G545 V546 I571 W595 | W524-W542 VanDerWaalsContact O-CD1 3.23Å; A525-W542 PolarHBondContact O-NE1 2.93Å; A525-W542 VanDerWaalsContact O-NE1 3.15Å; P527-W542 HydrophobicContact CG-CH2 3.9Å; P527-W542 HydrophobicContact CG-CZ3 3.98Å; K538-W542 PolarHBondContact O-N 3.43Å; S539-W542 WeakPolarHBondContact O-CB 3.29Å; S539-W542 PolarHBondContact O-N 3.23Å; D540-W542 VanDerWaalsContact C-N 3.29Å; D540-W542 PolarHBondContact O-N 2.98Å; W542-F544 VanDerWaalsContact C-N 3.26Å; W542-F544 PolarHBondContact O-N 3.3Å; W542-G545 WeakPolarHBondContact O-CA 3.3Å; W542-G545 PolarHBondContact O-N 2.86Å; W542-V546 PolarHBondContact O-N 3.08Å; W542-V546 VanDerWaalsContact O-N 3.15Å; W542-I571 HydrophobicContact CH2-CG2 3.73Å; W542-I571 HydrophobicContact CZ2-CD1 4.23Å; W542-I571 HydrophobicContact CZ2-CG1 4.5Å; W542-I571 HydrophobicContact CZ2-CG2 3.71Å; W542-W595 HydrophobicContact CD2-CB 4.5Å; W542-W595 AromaticContact CD2-CD1 3.76Å; W542-W595 AromaticContact CE2-CD1 3.86Å; W542-W595 VanDerWaalsContact CE3-CA 3.49Å; W542-W595 HydrophobicContact CE3-CB 4.09Å; W542-W595 HydrophobicContact CH2-CB 4.07Å; W542-W595 HydrophobicContact CZ2-CB 4.47Å; W542-W595 VanDerWaalsContact CZ3-C 3.48Å; W542-W595 HydrophobicContact CZ3-CB 3.87Å; W542-W595 VanDerWaalsContact CZ3-O 3.31Å; W542-W595 WeakPolarHBondContact CZ3-O 3.17Å; W542-W595 PolarHBondContact O-NE1 3.31Å |
| 543 | S | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 11.6 Ų | 11.6 | 6% | 0.063 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57 | -39.6 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | L483 W524 S539 D540 G545 V546 L547 | L483-S543 WeakPolarHBondContact O-CB 3.49Å; W524-S543 PolarHBondContact O-OG 2.97Å; W524-S543 VanDerWaalsContact O-OG 3.09Å; S539-S543 PolarHBondContact O-N 3.48Å; S539-S543 VanDerWaalsContact O-N 3.16Å; S539-S543 PolarHBondContact O-OG 3.5Å; D540-S543 CarbonylContact O-C 3.45Å; D540-S543 WeakPolarHBondContact O-CB 3.28Å; D540-S543 PolarHBondContact O-N 3.22Å; S543-G545 PolarHBondContact O-N 3.1Å; S543-V546 PolarHBondContact O-N 2.8Å; S543-V546 VanDerWaalsContact O-N 3.15Å; S543-L547 PolarHBondContact O-N 2.83Å |
| 544 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 174 | 178.2 | -109.3 | 0 | 0 | 0 | 112.1 | V466 C467 L483 D540 V541 W542 V546 L547 M548 F605 L608 L612 | V466-F544 HydrophobicContact CB-CE2 4.22Å; V466-F544 HydrophobicContact CG1-CD2 3.94Å; V466-F544 HydrophobicContact CG1-CE2 3.93Å; C467-F544 HydrophobicContact CB-CE1 4.38Å; C467-F544 HydrophobicContact CB-CE2 3.93Å; C467-F544 HydrophobicContact CB-CZ 3.6Å; L483-F544 HydrophobicContact CD2-CB 3.71Å; L483-F544 HydrophobicContact CD2-CD2 4.26Å; L483-F544 HydrophobicContact CD2-CG 4.49Å; D540-F544 WeakPolarHBondContact O-CB 3.2Å; D540-F544 PolarHBondContact O-N 3.32Å; V541-F544 WeakPolarHBondContact O-CB 3.43Å; V541-F544 PolarHBondContact O-N 3.15Å; W542-F544 VanDerWaalsContact C-N 3.26Å; W542-F544 PolarHBondContact O-N 3.3Å; F544-V546 VanDerWaalsContact C-N 3.3Å; F544-V546 PolarHBondContact O-N 2.63Å; F544-L547 HydrophobicContact CD2-CD2 4.49Å; F544-L547 WeakPolarHBondContact O-CB 3.3Å; F544-L547 PolarHBondContact O-N 3.28Å; F544-M548 HydrophobicContact CD1-CG 4.24Å; F544-M548 HydrophobicContact CD1-SD 3.98Å; F544-M548 HydrophobicContact CE1-CG 3.82Å; F544-M548 HydrophobicContact CE1-SD 3.39Å; F544-M548 WeakPolarHBondContact CE1-SD 3.42Å; F544-M548 HydrophobicContact CE2-CG 4.16Å; F544-M548 HydrophobicContact CZ-CG 3.76Å; F544-M548 HydrophobicContact CZ-SD 3.84Å; F544-M548 WeakPolarHBondContact O-CG 3.49Å; F544-M548 PolarHBondContact O-N 2.88Å; F544-F605 HydrophobicContact CB-CE1 3.67Å; F544-F605 HydrophobicContact CB-CZ 3.97Å; F544-F605 HydrophobicContact CD1-CE1 4.06Å; F544-F605 HydrophobicContact CD2-CE1 4.15Å; F544-F605 AromaticContact CG-CE1 3.7Å; F544-F605 HydrophobicContact CG-CE1 3.7Å; F544-F605 HydrophobicContact CG-CZ 4.48Å; F544-L608 HydrophobicContact CD1-CD1 3.92Å; F544-L608 HydrophobicContact CE1-CD1 4.17Å; F544-L612 HydrophobicContact CE1-CD1 4Å; F544-L612 HydrophobicContact CZ-CD1 3.75Å |
| 545 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -58.5 | -42.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V541 W542 S543 M548 W549 W595 | V541-G545 PolarHBondContact O-N 3.47Å; W542-G545 WeakPolarHBondContact O-CA 3.3Å; W542-G545 PolarHBondContact O-N 2.86Å; S543-G545 PolarHBondContact O-N 3.1Å; G545-M548 PolarHBondContact O-N 2.82Å; G545-W549 PolarHBondContact O-N 2.77Å; G545-W549 VanDerWaalsContact O-N 3.14Å; G545-W595 VanDerWaalsContact C-CZ2 3.43Å; G545-W595 WeakPolarHBondContact O-CZ2 3.49Å |
| 546 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | W524 W542 S543 F544 M548 W549 E550 P558 L577 W595 | W524-V546 VanDerWaalsContact CD1-CG1 3.49Å; W524-V546 HydrophobicContact CD2-CG1 4.44Å; W524-V546 HydrophobicContact CG-CB 4.43Å; W524-V546 HydrophobicContact CG-CG1 4Å; W542-V546 PolarHBondContact O-N 3.08Å; W542-V546 VanDerWaalsContact O-N 3.15Å; S543-V546 PolarHBondContact O-N 2.8Å; S543-V546 VanDerWaalsContact O-N 3.15Å; F544-V546 VanDerWaalsContact C-N 3.3Å; F544-V546 PolarHBondContact O-N 2.63Å; V546-M548 PolarHBondContact O-N 3.24Å; V546-W549 CarbonylContact O-C 3.57Å; V546-W549 WeakPolarHBondContact O-CA 3.33Å; V546-W549 VanDerWaalsContact O-CB 3.31Å; V546-W549 WeakPolarHBondContact O-CB 3.45Å; V546-W549 PolarHBondContact O-N 3.26Å; V546-E550 PolarHBondContact O-N 2.64Å; V546-P558 HydrophobicContact CG1-CB 3.93Å; V546-P558 HydrophobicContact CG1-CG 3.55Å; V546-L577 HydrophobicContact CG1-CD1 4.21Å; V546-L577 HydrophobicContact CG2-CD1 4.49Å; V546-W595 HydrophobicContact CG2-CZ2 4.46Å |
| 547 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 174.8 | 179.9 | 157.3 | 0 | 0 | 0 | 111.7 | V466 L483 S543 F544 W549 E550 V551 | V466-L547 HydrophobicContact CB-CD2 4.45Å; V466-L547 HydrophobicContact CG1-CD1 3.9Å; V466-L547 HydrophobicContact CG1-CD2 4.15Å; V466-L547 HydrophobicContact CG2-CD2 4.33Å; L483-L547 HydrophobicContact CD1-CD1 3.79Å; L483-L547 HydrophobicContact CG-CD1 3.92Å; S543-L547 PolarHBondContact O-N 2.83Å; F544-L547 HydrophobicContact CD2-CD2 4.49Å; F544-L547 WeakPolarHBondContact O-CB 3.3Å; F544-L547 PolarHBondContact O-N 3.28Å; L547-W549 PolarHBondContact O-N 2.8Å; L547-E550 WeakPolarHBondContact O-CB 3.28Å; L547-E550 PolarHBondContact O-N 3.23Å; L547-V551 HydrophobicContact CD2-CG2 3.94Å; L547-V551 WeakPolarHBondContact O-CG2 3.38Å; L547-V551 PolarHBondContact O-N 3.17Å |
| 548 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.6 | -41.9 | 174 | -71.3 | -179.2 | 71.1 | 0 | 0 | 110.4 | C463 F544 G545 V546 V551 F552 V587 I590 M591 L612 | C463-M548 HydrophobicContact CB-CG 4.32Å; F544-M548 HydrophobicContact CD1-CG 4.24Å; F544-M548 HydrophobicContact CD1-SD 3.98Å; F544-M548 HydrophobicContact CE1-CG 3.82Å; F544-M548 HydrophobicContact CE1-SD 3.39Å; F544-M548 WeakPolarHBondContact CE1-SD 3.42Å; F544-M548 HydrophobicContact CE2-CG 4.16Å; F544-M548 HydrophobicContact CZ-CG 3.76Å; F544-M548 HydrophobicContact CZ-SD 3.84Å; F544-M548 WeakPolarHBondContact O-CG 3.49Å; F544-M548 PolarHBondContact O-N 2.88Å; G545-M548 PolarHBondContact O-N 2.82Å; V546-M548 PolarHBondContact O-N 3.24Å; M548-V551 PolarHBondContact O-N 2.68Å; M548-F552 WeakPolarHBondContact O-CD2 3.35Å; M548-F552 PolarHBondContact O-N 3.09Å; M548-V587 HydrophobicContact CE-CG1 3.94Å; M548-I590 HydrophobicContact CE-CG2 4.14Å; M548-I590 HydrophobicContact SD-CG2 4.09Å; M548-M591 HydrophobicContact CB-CE 3.71Å; M548-M591 HydrophobicContact CB-CG 3.99Å; M548-M591 HydrophobicContact CE-CE 4.31Å; M548-M591 HydrophobicContact CE-CG 4.17Å; M548-M591 HydrophobicContact SD-CG 4.24Å; M548-L612 HydrophobicContact CE-CD2 3.57Å |
| 549 | W | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 2% | 0.019 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 176 | -176.6 | 97.5 | 0 | 0 | 0 | 112 | G545 V546 L547 V551 F552 S553 K556 P558 L577 Y578 P580 M591 W595 | G545-W549 PolarHBondContact O-N 2.77Å; G545-W549 VanDerWaalsContact O-N 3.14Å; V546-W549 CarbonylContact O-C 3.57Å; V546-W549 WeakPolarHBondContact O-CA 3.33Å; V546-W549 VanDerWaalsContact O-CB 3.31Å; V546-W549 WeakPolarHBondContact O-CB 3.45Å; V546-W549 PolarHBondContact O-N 3.26Å; L547-W549 PolarHBondContact O-N 2.8Å; W549-V551 VanDerWaalsContact C-N 3.34Å; W549-V551 PolarHBondContact O-N 2.81Å; W549-F552 PolarHBondContact O-N 3.3Å; W549-S553 WeakPolarHBondContact CZ3-OG 3.31Å; W549-S553 WeakPolarHBondContact O-CB 3.28Å; W549-S553 PolarHBondContact O-N 2.85Å; W549-S553 PolarHBondContact O-OG 3.01Å; W549-K556 HydrophobicContact CH2-CB 3.78Å; W549-K556 HydrophobicContact CZ3-CB 3.91Å; W549-P558 HydrophobicContact CE3-CB 4.5Å; W549-P558 HydrophobicContact CE3-CG 4.23Å; W549-P558 HydrophobicContact CZ3-CB 4.34Å; W549-P558 HydrophobicContact CZ3-CG 4.18Å; W549-L577 HydrophobicContact CB-CD1 4.07Å; W549-L577 HydrophobicContact CD2-CB 4.39Å; W549-L577 HydrophobicContact CD2-CD1 3.86Å; W549-L577 HydrophobicContact CD2-CD2 4.34Å; W549-L577 HydrophobicContact CD2-CG 4.42Å; W549-L577 HydrophobicContact CE3-CD1 4.22Å; W549-L577 HydrophobicContact CG-CB 4.09Å; W549-L577 HydrophobicContact CG-CD1 3.78Å; W549-L577 HydrophobicContact CG-CG 4.43Å; W549-L577 HydrophobicContact CZ2-CD2 4.2Å; W549-Y578 VanDerWaalsContact CD1-O 3.24Å; W549-Y578 HydrophobicContact CZ2-CD1 4.31Å; W549-Y578 AromaticContact CZ2-CE1 3.57Å; W549-Y578 HydrophobicContact CZ2-CE1 3.57Å; W549-Y578 HydrophobicContact CZ2-CE2 4.48Å; W549-Y578 AromaticContact CZ2-CZ 3.64Å; W549-Y578 PolarHBondContact NE1-O 3.26Å; W549-P580 HydrophobicContact CG-CG 4.13Å; W549-M591 HydrophobicContact CB-SD 4.47Å; W549-W595 HydrophobicContact CB-CH2 4.22Å; W549-W595 HydrophobicContact CB-CZ2 4.22Å |
| 550 | E | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 173.5 | -66.6 | -177.7 | 92.2 | 0 | 0 | 111.4 | A485 W524 V546 L547 S553 E554 G555 P558 | A485-E550 HydrophobicContact CB-CB 4.09Å; A485-E550 PolarHBondContact N-OE2 3.39Å; W524-E550 WeakPolarHBondContact CZ2-OE1 3.25Å; W524-E550 PolarHBondContact NE1-OE2 2.89Å; V546-E550 PolarHBondContact O-N 2.64Å; L547-E550 WeakPolarHBondContact O-CB 3.28Å; L547-E550 PolarHBondContact O-N 3.23Å; E550-S553 WeakPolarHBondContact CA-OG 3.46Å; E550-S553 CarbonylContact O-C 3.46Å; E550-S553 PolarHBondContact O-N 2.91Å; E550-S553 PolarHBondContact O-OG 3.43Å; E550-S553 VanDerWaalsContact O-OG 3.12Å; E550-E554 PolarHBondContact O-N 2.81Å; E550-E554 VanDerWaalsContact O-N 3.09Å; E550-G555 PolarHBondContact O-N 3.4Å; E550-P558 HydrophobicContact CG-CG 3.9Å |
| 551 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.1 | -52.8 | 179.1 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | L443 L447 L459 M462 L547 M548 W549 S553 E554 | L443-V551 HydrophobicContact CD2-CG2 3.95Å; L447-V551 HydrophobicContact CD1-CB 4.45Å; L447-V551 HydrophobicContact CD1-CG2 4.13Å; L459-V551 HydrophobicContact CB-CG1 3.89Å; L459-V551 HydrophobicContact CD2-CG1 3.89Å; L459-V551 HydrophobicContact CG-CG1 4.45Å; L459-V551 WeakPolarHBondContact O-CG1 3.49Å; M462-V551 HydrophobicContact CB-CG1 4.22Å; M462-V551 HydrophobicContact SD-CG1 4.43Å; L547-V551 HydrophobicContact CD2-CG2 3.94Å; L547-V551 WeakPolarHBondContact O-CG2 3.38Å; L547-V551 PolarHBondContact O-N 3.17Å; M548-V551 PolarHBondContact O-N 2.68Å; W549-V551 VanDerWaalsContact C-N 3.34Å; W549-V551 PolarHBondContact O-N 2.81Å; V551-S553 PolarHBondContact O-N 3.19Å; V551-E554 PolarHBondContact O-N 3.31Å |
| 552 | F | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.8 | -12.6 | -178.8 | -81.8 | -80 | 0 | 0 | 0 | 114.6 | L459 L460 M548 W549 P580 L582 A583 V587 M591 | L459-F552 HydrophobicContact CB-CD1 4.22Å; L459-F552 HydrophobicContact CB-CE1 4.03Å; L459-F552 HydrophobicContact CB-CZ 4.3Å; L459-F552 HydrophobicContact CD1-CD1 4.28Å; L460-F552 HydrophobicContact CB-CZ 4.05Å; L460-F552 HydrophobicContact CD1-CZ 4.28Å; M548-F552 WeakPolarHBondContact O-CD2 3.35Å; M548-F552 PolarHBondContact O-N 3.09Å; W549-F552 PolarHBondContact O-N 3.3Å; F552-P580 HydrophobicContact CB-CB 3.87Å; F552-P580 HydrophobicContact CB-CG 3.91Å; F552-P580 VanDerWaalsContact O-CB 3.29Å; F552-P580 WeakPolarHBondContact O-CB 3.39Å; F552-L582 HydrophobicContact CD1-CB 4.28Å; F552-A583 HydrophobicContact CB-CB 4.06Å; F552-A583 HydrophobicContact CD1-CB 3.9Å; F552-A583 HydrophobicContact CG-CB 3.97Å; F552-V587 HydrophobicContact CD2-CG1 3.87Å; F552-V587 HydrophobicContact CE1-CG1 4.28Å; F552-V587 HydrophobicContact CE2-CG1 3.45Å; F552-V587 VanDerWaalsContact CE2-CG1 3.45Å; F552-V587 HydrophobicContact CG-CG1 4.45Å; F552-V587 HydrophobicContact CZ-CG1 3.68Å; F552-V587 HydrophobicContact CZ-CG2 4.17Å; F552-M591 HydrophobicContact CB-CE 4.07Å; F552-M591 HydrophobicContact CD2-CE 3.51Å; F552-M591 HydrophobicContact CE2-CE 4.29Å; F552-M591 HydrophobicContact CG-CE 4.03Å |
| 553 | S | 97.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 7 | 170.2 | 65.9 | 0 | 0 | 0 | 0 | 113 | W549 E550 V551 G555 K556 | W549-S553 WeakPolarHBondContact CZ3-OG 3.31Å; W549-S553 WeakPolarHBondContact O-CB 3.28Å; W549-S553 PolarHBondContact O-N 2.85Å; W549-S553 PolarHBondContact O-OG 3.01Å; E550-S553 WeakPolarHBondContact CA-OG 3.46Å; E550-S553 CarbonylContact O-C 3.46Å; E550-S553 PolarHBondContact O-N 2.91Å; E550-S553 PolarHBondContact O-OG 3.43Å; E550-S553 VanDerWaalsContact O-OG 3.12Å; V551-S553 PolarHBondContact O-N 3.19Å; S553-G555 PolarHBondContact O-N 2.75Å; S553-K556 WeakPolarHBondContact O-CG 3.49Å |
| 554 | E | 97.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 50.3 | 176.9 | -54.3 | 177.7 | 90.4 | 0 | 0 | 111.8 | R451 G452 F454 L459 E550 V551 L582 | R451-E554 HydrophobicContact CB-CB 4.43Å; R451-E554 HydrophobicContact CG-CB 3.95Å; R451-E554 PolarHBondContact NE-O 2.57Å; R451-E554 PolarHBondContact NH2-O 2.82Å; G452-E554 WeakPolarHBondContact CA-OE1 3.4Å; G452-E554 PolarHBondContact N-OE1 3.47Å; F454-E554 HydrophobicContact CD2-CG 4.44Å; L459-E554 HydrophobicContact CD1-CG 4.41Å; E550-E554 PolarHBondContact O-N 2.81Å; E550-E554 VanDerWaalsContact O-N 3.09Å; V551-E554 PolarHBondContact O-N 3.31Å; E554-L582 HydrophobicContact CG-CD1 3.94Å |
| 555 | G | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 78.7 | 24.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R448 E550 S553 | R448-G555 PolarHBondContact NE-O 2.94Å; R448-G555 PolarHBondContact NH2-O 2.98Å; E550-G555 PolarHBondContact O-N 3.4Å; S553-G555 PolarHBondContact O-N 2.75Å |
| 556 | K | 96.1 | Very high | 96.1 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 153.6 | 169.5 | -74.8 | -170.3 | 179.3 | -160.4 | 0 | 110.9 | W549 S553 | W549-K556 HydrophobicContact CH2-CB 3.78Å; W549-K556 HydrophobicContact CZ3-CB 3.91Å; S553-K556 WeakPolarHBondContact O-CG 3.49Å |
| 557 | I | 94.6 | Very high | 96 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 42% | 0.415 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -79.6 | 126.9 | 175.7 | -59.5 | 173.6 | 0 | 0 | 0 | 107.9 | Y559 E560 | I557-Y559 PolarHBondContact O-N 2.7Å; I557-E560 HydrophobicContact CB-CB 4.03Å; I557-E560 HydrophobicContact CG2-CB 4.49Å; I557-E560 WeakPolarHBondContact O-CB 3.46Å; I557-E560 PolarHBondContact O-N 3.3Å |
| 558 | P | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 133.1 | 174 | -24.6 | 34.3 | 0 | 0 | 0 | 110.4 | K523 W524 V546 W549 E550 E560 L577 | K523-P558 HydrophobicContact CB-CB 4.43Å; K523-P558 VanDerWaalsContact CD-O 3.3Å; K523-P558 WeakPolarHBondContact CD-O 3.24Å; K523-P558 PolarHBondContact NZ-O 3.25Å; K523-P558 VanDerWaalsContact NZ-O 3.17Å; W524-P558 HydrophobicContact CH2-CG 4.26Å; W524-P558 HydrophobicContact CZ2-CG 3.71Å; V546-P558 HydrophobicContact CG1-CB 3.93Å; V546-P558 HydrophobicContact CG1-CG 3.55Å; W549-P558 HydrophobicContact CE3-CB 4.5Å; W549-P558 HydrophobicContact CE3-CG 4.23Å; W549-P558 HydrophobicContact CZ3-CB 4.34Å; W549-P558 HydrophobicContact CZ3-CG 4.18Å; E550-P558 HydrophobicContact CG-CG 3.9Å; P558-E560 VanDerWaalsContact C-N 3.26Å; P558-E560 PolarHBondContact O-N 3.2Å; P558-L577 HydrophobicContact CB-CD1 4.28Å; P558-L577 HydrophobicContact CB-CD2 4.45Å |
| 559 | Y | 95.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 6% | 0.059 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 43.4 | 179.8 | -41.6 | -83.4 | 0 | 0 | 0 | 112.8 | K523 I557 N561 R562 V567 I571 F575 L577 | K523-Y559 HydrophobicContact CB-CD2 4.29Å; K523-Y559 HydrophobicContact CG-CD2 4.32Å; K523-Y559 PolarHBondContact NZ-O 3.17Å; I557-Y559 PolarHBondContact O-N 2.7Å; Y559-N561 PolarHBondContact O-N 2.97Å; Y559-R562 PolarHBondContact O-N 2.96Å; Y559-V567 HydrophobicContact CD1-CG2 4.45Å; Y559-V567 HydrophobicContact CD2-CG1 3.83Å; Y559-V567 HydrophobicContact CD2-CG2 4.06Å; Y559-V567 HydrophobicContact CE2-CG1 3.97Å; Y559-V567 HydrophobicContact CG-CG1 4.21Å; Y559-V567 HydrophobicContact CG-CG2 3.78Å; Y559-I571 HydrophobicContact CE2-CD1 4.43Å; Y559-F575 HydrophobicContact CD1-CD1 4.43Å; Y559-F575 AromaticContact CD1-CE1 4Å; Y559-F575 HydrophobicContact CD1-CE1 4Å; Y559-F575 AromaticContact CE1-CD1 3.96Å; Y559-F575 HydrophobicContact CE1-CD1 3.96Å; Y559-F575 AromaticContact CE1-CE1 3.8Å; Y559-F575 HydrophobicContact CE1-CE1 3.8Å; Y559-L577 HydrophobicContact CD1-CD2 3.71Å; Y559-L577 HydrophobicContact CD1-CG 4.45Å; Y559-L577 HydrophobicContact CD2-CD2 4.15Å; Y559-L577 HydrophobicContact CE1-CD2 3.52Å; Y559-L577 HydrophobicContact CE1-CG 3.77Å; Y559-L577 HydrophobicContact CE2-CD1 4.2Å; Y559-L577 HydrophobicContact CE2-CD2 3.99Å; Y559-L577 HydrophobicContact CE2-CG 4.08Å; Y559-L577 HydrophobicContact CG-CD2 4.02Å |
| 560 | E | 89.1 | Confident | 95.5 | Very high | 101 Ų | 101 | 49.6 Ų | 49.6 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -29.9 | -169.6 | 64.1 | -168.2 | 169.9 | 0 | 0 | 115.1 | I557 P558 | I557-E560 HydrophobicContact CB-CB 4.03Å; I557-E560 HydrophobicContact CG2-CB 4.49Å; I557-E560 WeakPolarHBondContact O-CB 3.46Å; I557-E560 PolarHBondContact O-N 3.3Å; P558-E560 VanDerWaalsContact C-N 3.26Å; P558-E560 PolarHBondContact O-N 3.2Å |
| 561 | N | 91.3 | Very high | 95.4 | Very high | 142 Ų | 142 | 49.5 Ų | 49.5 | 76% | 0.759 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 16.8 | -178.8 | -57.6 | -42 | 0 | 0 | 0 | 114.2 | Y559 | Y559-N561 PolarHBondContact O-N 2.97Š|
| 562 | R | 93.8 | Very high | 95.2 | Very high | 101 Ų | 101 | 52.7 Ų | 52.7 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -122.7 | 136.8 | 179.1 | -59.5 | -67.8 | -171.8 | 121.4 | 13 | 110.3 | K523 Y559 E566 V567 D570 | K523-R562 WeakPolarHBondContact CE-O 3.36Å; K523-R562 PolarHBondContact NZ-O 3.1Å; Y559-R562 PolarHBondContact O-N 2.96Å; R562-E566 HydrophobicContact CB-CB 4.18Å; R562-V567 HydrophobicContact CB-CG2 3.63Å; R562-D570 IonicContact CZ-OD1 3.61Å; R562-D570 IonicContact CZ-OD2 3.76Å; R562-D570 IonicContact NE-OD2 3.45Å; R562-D570 PolarHBondContact NE-OD2 3.21Å; R562-D570 IonicContact NH1-OD1 3.36Å; R562-D570 PolarHBondContact NH1-OD1 3.2Å; R562-D570 IonicContact NH1-OD2 3.63Å; R562-D570 PolarHBondContact NH1-OD2 3.17Å; R562-D570 IonicContact NH2-OD1 2.68Å; R562-D570 IonicContact NH2-OD2 2.97Å; R562-D570 PolarHBondContact NH2-OD2 2.98Å |
| 563 | S | 95.3 | Very high | 95 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | trans | -67.5 | 161.6 | 167 | 67 | 0 | 0 | 0 | 0 | 111.1 | S565 E566 V567 | S563-S565 VanDerWaalsContact C-N 3.27Å; S563-S565 PolarHBondContact O-N 3.19Å; S563-S565 PolarHBondContact OG-OG 2.91Å; S563-S565 VanDerWaalsContact OG-OG 3.14Å; S563-E566 VanDerWaalsContact CB-OE2 3.3Å; S563-E566 WeakPolarHBondContact CB-OE2 3.48Å; S563-E566 PolarHBondContact N-OE2 2.97Å; S563-E566 PolarHBondContact O-N 3.22Å; S563-E566 VanDerWaalsContact OG-CD 3.25Å; S563-E566 VanDerWaalsContact OG-CG 3.24Å; S563-E566 WeakPolarHBondContact OG-CG 3.25Å; S563-E566 PolarHBondContact OG-N 3.46Å; S563-E566 PolarHBondContact OG-OE2 3.35Å; S563-V567 WeakPolarHBondContact O-CG2 3.43Å; S563-V567 PolarHBondContact O-N 2.9Å | ||
| 564 | N | 93.4 | Very high | 94.9 | Very high | 83 Ų | 83 | 59.4 Ų | 59.4 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | -179.9 | -75 | -2.1 | 0 | 0 | 0 | 112.9 | V522 V567 V568 | V522-N564 HydrophobicContact CB-CB 4Å; V522-N564 HydrophobicContact CG1-CB 3.91Å; V522-N564 HydrophobicContact CG2-CB 4.03Å; N564-V567 PolarHBondContact O-N 3.21Å; N564-V568 WeakPolarHBondContact O-CG2 3.43Å; N564-V568 PolarHBondContact O-N 3.04Å; N564-V568 VanDerWaalsContact O-N 3.1Å |
| 565 | S | 94.2 | Very high | 94.8 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 60% | 0.601 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.4 | -43 | 176.3 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | S563 V567 V568 E569 | S563-S565 VanDerWaalsContact C-N 3.27Å; S563-S565 PolarHBondContact O-N 3.19Å; S563-S565 PolarHBondContact OG-OG 2.91Å; S563-S565 VanDerWaalsContact OG-OG 3.14Å; S565-V567 VanDerWaalsContact C-N 3.31Å; S565-V567 PolarHBondContact O-N 2.83Å; S565-V568 PolarHBondContact O-N 3.46Å; S565-E569 PolarHBondContact O-N 3.15Å; S565-E569 VanDerWaalsContact O-N 3.08Å |
| 566 | E | 96.5 | Very high | 94.9 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 176.7 | -69.5 | 165.4 | 133.5 | 0 | 0 | 111.3 | R562 S563 E569 D570 | R562-E566 HydrophobicContact CB-CB 4.18Å; S563-E566 VanDerWaalsContact CB-OE2 3.3Å; S563-E566 WeakPolarHBondContact CB-OE2 3.48Å; S563-E566 PolarHBondContact N-OE2 2.97Å; S563-E566 PolarHBondContact O-N 3.22Å; S563-E566 VanDerWaalsContact OG-CD 3.25Å; S563-E566 VanDerWaalsContact OG-CG 3.24Å; S563-E566 WeakPolarHBondContact OG-CG 3.25Å; S563-E566 PolarHBondContact OG-N 3.46Å; S563-E566 PolarHBondContact OG-OE2 3.35Å; E566-E569 PolarHBondContact O-N 2.95Å; E566-D570 VanDerWaalsContact O-CB 3.28Å; E566-D570 WeakPolarHBondContact O-CB 3.47Å; E566-D570 VanDerWaalsContact O-CG 3.26Å; E566-D570 PolarHBondContact O-N 3.49Å |
| 567 | V | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | K523 Y559 R562 S563 N564 S565 E569 I571 | K523-V567 HydrophobicContact CG-CG1 4.48Å; K523-V567 HydrophobicContact CG-CG2 4.31Å; Y559-V567 HydrophobicContact CD1-CG2 4.45Å; Y559-V567 HydrophobicContact CD2-CG1 3.83Å; Y559-V567 HydrophobicContact CD2-CG2 4.06Å; Y559-V567 HydrophobicContact CE2-CG1 3.97Å; Y559-V567 HydrophobicContact CG-CG1 4.21Å; Y559-V567 HydrophobicContact CG-CG2 3.78Å; R562-V567 HydrophobicContact CB-CG2 3.63Å; S563-V567 WeakPolarHBondContact O-CG2 3.43Å; S563-V567 PolarHBondContact O-N 2.9Å; N564-V567 PolarHBondContact O-N 3.21Å; S565-V567 VanDerWaalsContact C-N 3.31Å; S565-V567 PolarHBondContact O-N 2.83Å; V567-E569 VanDerWaalsContact C-N 3.35Å; V567-I571 HydrophobicContact CG1-CD1 3.62Å; V567-I571 HydrophobicContact CG1-CG1 4.3Å; V567-I571 WeakPolarHBondContact O-CB 2.97Å; V567-I571 VanDerWaalsContact O-CG1 3.25Å; V567-I571 WeakPolarHBondContact O-CG1 3.19Å; V567-I571 PolarHBondContact O-N 2.91Å |
| 568 | V | 94.8 | Very high | 95.1 | Very high | 45 Ų | 45 | 63.3 Ų | 63.3 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.6 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | V522 F530 N564 S565 S572 | V522-V568 HydrophobicContact CG1-CG2 3.73Å; F530-V568 HydrophobicContact CB-CG2 4.34Å; F530-V568 HydrophobicContact CD1-CG2 4.31Å; F530-V568 HydrophobicContact CD2-CG1 3.81Å; F530-V568 HydrophobicContact CD2-CG2 4.11Å; F530-V568 HydrophobicContact CE2-CB 4.48Å; F530-V568 HydrophobicContact CE2-CG1 3.71Å; F530-V568 HydrophobicContact CE2-CG2 4.45Å; F530-V568 HydrophobicContact CG-CG2 4.03Å; F530-V568 HydrophobicContact CZ-CG1 4.31Å; N564-V568 WeakPolarHBondContact O-CG2 3.43Å; N564-V568 PolarHBondContact O-N 3.04Å; N564-V568 VanDerWaalsContact O-N 3.1Å; S565-V568 PolarHBondContact O-N 3.46Å; V568-S572 VanDerWaalsContact O-CB 3.26Å; V568-S572 WeakPolarHBondContact O-CB 3.43Å; V568-S572 PolarHBondContact O-N 2.73Å; V568-S572 PolarHBondContact O-OG 2.89Å |
| 569 | E | 95.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 67.3 Ų | 67.3 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.1 | -48.1 | 177.8 | -174.6 | 175.5 | -173.4 | 0 | 0 | 112.2 | S565 E566 V567 I571 S572 T573 | S565-E569 PolarHBondContact O-N 3.15Å; S565-E569 VanDerWaalsContact O-N 3.08Å; E566-E569 PolarHBondContact O-N 2.95Å; V567-E569 VanDerWaalsContact C-N 3.35Å; E569-I571 PolarHBondContact O-N 2.64Å; E569-S572 PolarHBondContact O-N 2.96Å; E569-T573 WeakPolarHBondContact O-CG2 3.37Å; E569-T573 PolarHBondContact O-N 3.16Å; E569-T573 PolarHBondContact O-OG1 2.92Å |
| 570 | D | 95.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.112 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56 | -51.4 | 176.5 | -79.3 | -15.8 | 0 | 0 | 0 | 110.1 | R562 E566 S572 T573 G574 F575 | R562-D570 IonicContact CZ-OD1 3.61Å; R562-D570 IonicContact CZ-OD2 3.76Å; R562-D570 IonicContact NE-OD2 3.45Å; R562-D570 PolarHBondContact NE-OD2 3.21Å; R562-D570 IonicContact NH1-OD1 3.36Å; R562-D570 PolarHBondContact NH1-OD1 3.2Å; R562-D570 IonicContact NH1-OD2 3.63Å; R562-D570 PolarHBondContact NH1-OD2 3.17Å; R562-D570 IonicContact NH2-OD1 2.68Å; R562-D570 IonicContact NH2-OD2 2.97Å; R562-D570 PolarHBondContact NH2-OD2 2.98Å; E566-D570 VanDerWaalsContact O-CB 3.28Å; E566-D570 WeakPolarHBondContact O-CB 3.47Å; E566-D570 VanDerWaalsContact O-CG 3.26Å; E566-D570 PolarHBondContact O-N 3.49Å; D570-S572 VanDerWaalsContact C-N 3.33Å; D570-S572 PolarHBondContact O-N 3.38Å; D570-T573 PolarHBondContact O-N 2.89Å; D570-T573 PolarHBondContact O-OG1 3.35Å; D570-G574 PolarHBondContact O-N 3.09Å; D570-F575 HydrophobicContact CB-CB 3.88Å; D570-F575 HydrophobicContact CB-CD1 3.99Å; D570-F575 HydrophobicContact CB-CG 4.16Å; D570-F575 WeakPolarHBondContact O-CB 3.4Å; D570-F575 PolarHBondContact O-N 3.23Å |
| 571 | I | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | -179.5 | -69.7 | 170.7 | 0 | 0 | 0 | 111 | P527 F530 W542 Y559 V567 E569 T573 G574 R576 | P527-I571 HydrophobicContact CG-CG2 3.91Å; F530-I571 HydrophobicContact CE1-CB 4.34Å; F530-I571 HydrophobicContact CE1-CD1 4.3Å; F530-I571 HydrophobicContact CE1-CG2 3.95Å; F530-I571 HydrophobicContact CZ-CB 4.23Å; F530-I571 HydrophobicContact CZ-CG2 3.88Å; W542-I571 HydrophobicContact CH2-CG2 3.73Å; W542-I571 HydrophobicContact CZ2-CD1 4.23Å; W542-I571 HydrophobicContact CZ2-CG1 4.5Å; W542-I571 HydrophobicContact CZ2-CG2 3.71Å; Y559-I571 HydrophobicContact CE2-CD1 4.43Å; V567-I571 HydrophobicContact CG1-CD1 3.62Å; V567-I571 HydrophobicContact CG1-CG1 4.3Å; V567-I571 WeakPolarHBondContact O-CB 2.97Å; V567-I571 VanDerWaalsContact O-CG1 3.25Å; V567-I571 WeakPolarHBondContact O-CG1 3.19Å; V567-I571 PolarHBondContact O-N 2.91Å; E569-I571 PolarHBondContact O-N 2.64Å; I571-T573 VanDerWaalsContact C-N 3.25Å; I571-T573 PolarHBondContact O-N 2.93Å; I571-G574 PolarHBondContact O-N 3.26Å; I571-R576 PolarHBondContact O-NH1 3.4Å |
| 572 | S | 94.2 | Very high | 95.7 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 47% | 0.469 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -27.6 | -179.8 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | V568 E569 D570 G574 | V568-S572 VanDerWaalsContact O-CB 3.26Å; V568-S572 WeakPolarHBondContact O-CB 3.43Å; V568-S572 PolarHBondContact O-N 2.73Å; V568-S572 PolarHBondContact O-OG 2.89Å; E569-S572 PolarHBondContact O-N 2.96Å; D570-S572 VanDerWaalsContact C-N 3.33Å; D570-S572 PolarHBondContact O-N 3.38Å; S572-G574 VanDerWaalsContact C-N 3.28Å |
| 573 | T | 95.2 | Very high | 95.8 | Very high | 111 Ų | 111 | 62.5 Ų | 62.5 | 68% | 0.681 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 2.7 | 173.8 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | E569 D570 I571 | E569-T573 WeakPolarHBondContact O-CG2 3.37Å; E569-T573 PolarHBondContact O-N 3.16Å; E569-T573 PolarHBondContact O-OG1 2.92Å; D570-T573 PolarHBondContact O-N 2.89Å; D570-T573 PolarHBondContact O-OG1 3.35Å; I571-T573 VanDerWaalsContact C-N 3.25Å; I571-T573 PolarHBondContact O-N 2.93Å |
| 574 | G | 94.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 6.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D570 I571 S572 | D570-G574 PolarHBondContact O-N 3.09Å; I571-G574 PolarHBondContact O-N 3.26Å; S572-G574 VanDerWaalsContact C-N 3.28Å |
| 575 | F | 96.2 | Very high | 96 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 41% | 0.408 | 33% | 0.328 | S | S | . | . | trans | -63.7 | 141.9 | 173.2 | -175.8 | -97.5 | 0 | 0 | 0 | 110.4 | Y559 D570 | Y559-F575 HydrophobicContact CD1-CD1 4.43Å; Y559-F575 AromaticContact CD1-CE1 4Å; Y559-F575 HydrophobicContact CD1-CE1 4Å; Y559-F575 AromaticContact CE1-CD1 3.96Å; Y559-F575 HydrophobicContact CE1-CD1 3.96Å; Y559-F575 AromaticContact CE1-CE1 3.8Å; Y559-F575 HydrophobicContact CE1-CE1 3.8Å; D570-F575 HydrophobicContact CB-CB 3.88Å; D570-F575 HydrophobicContact CB-CD1 3.99Å; D570-F575 HydrophobicContact CB-CG 4.16Å; D570-F575 WeakPolarHBondContact O-CB 3.4Å; D570-F575 PolarHBondContact O-N 3.23Å | ||
| 576 | R | 96.8 | Very high | 96 | Very high | 41 Ų | 41 | 64 Ų | 64 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | trans | -137.4 | 155.6 | 177.7 | -61.3 | -62.4 | -178.2 | -95 | 4.5 | 109.9 | I571 W595 E597 | I571-R576 PolarHBondContact O-NH1 3.4Å; R576-W595 HydrophobicContact CB-CE3 4.11Å; R576-W595 PolarHBondContact NE-O 3Å; R576-W595 PolarHBondContact NH2-O 2.96Å; R576-W595 VanDerWaalsContact NH2-O 3.15Å; R576-E597 IonicContact CZ-OE2 3.76Å; R576-E597 IonicContact NH2-OE2 2.78Å; R576-E597 PolarHBondContact NH2-OE2 3.27Å | ||
| 577 | L | 97.8 | Very high | 96 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 140.3 | 178 | -70.2 | 164.9 | 0 | 0 | 0 | 111.1 | V546 W549 P558 Y559 Y588 W595 | V546-L577 HydrophobicContact CG1-CD1 4.21Å; V546-L577 HydrophobicContact CG2-CD1 4.49Å; W549-L577 HydrophobicContact CB-CD1 4.07Å; W549-L577 HydrophobicContact CD2-CB 4.39Å; W549-L577 HydrophobicContact CD2-CD1 3.86Å; W549-L577 HydrophobicContact CD2-CD2 4.34Å; W549-L577 HydrophobicContact CD2-CG 4.42Å; W549-L577 HydrophobicContact CE3-CD1 4.22Å; W549-L577 HydrophobicContact CG-CB 4.09Å; W549-L577 HydrophobicContact CG-CD1 3.78Å; W549-L577 HydrophobicContact CG-CG 4.43Å; W549-L577 HydrophobicContact CZ2-CD2 4.2Å; P558-L577 HydrophobicContact CB-CD1 4.28Å; P558-L577 HydrophobicContact CB-CD2 4.45Å; Y559-L577 HydrophobicContact CD1-CD2 3.71Å; Y559-L577 HydrophobicContact CD1-CG 4.45Å; Y559-L577 HydrophobicContact CD2-CD2 4.15Å; Y559-L577 HydrophobicContact CE1-CD2 3.52Å; Y559-L577 HydrophobicContact CE1-CG 3.77Å; Y559-L577 HydrophobicContact CE2-CD1 4.2Å; Y559-L577 HydrophobicContact CE2-CD2 3.99Å; Y559-L577 HydrophobicContact CE2-CG 4.08Å; Y559-L577 HydrophobicContact CG-CD2 4.02Å; L577-Y588 WeakPolarHBondContact O-CE2 3.42Å; L577-Y588 PolarHBondContact O-OH 3.31Å; L577-W595 HydrophobicContact CB-CH2 3.73Å; L577-W595 HydrophobicContact CB-CZ2 4.35Å; L577-W595 HydrophobicContact CB-CZ3 4.14Å; L577-W595 HydrophobicContact CD1-CH2 4.18Å; L577-W595 HydrophobicContact CD1-CZ2 3.97Å; L577-W595 HydrophobicContact CG-CH2 4.49Å |
| 578 | Y | 97.6 | Very high | 96.2 | Very high | 114 Ų | 114 | 62.7 Ų | 62.7 | 45% | 0.447 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 159.1 | 179.8 | 69.6 | -95 | 0 | 0 | 0 | 111.9 | W549 P580 | W549-Y578 VanDerWaalsContact CD1-O 3.24Å; W549-Y578 HydrophobicContact CZ2-CD1 4.31Å; W549-Y578 AromaticContact CZ2-CE1 3.57Å; W549-Y578 HydrophobicContact CZ2-CE1 3.57Å; W549-Y578 HydrophobicContact CZ2-CE2 4.48Å; W549-Y578 AromaticContact CZ2-CZ 3.64Å; W549-Y578 PolarHBondContact NE1-O 3.26Å; Y578-P580 VanDerWaalsContact O-CD 3.24Å; Y578-P580 WeakPolarHBondContact O-CD 3.36Å |
| 579 | K | 98.3 | Very high | 96.3 | Very high | 84 Ų | 84 | 65 Ų | 65 | 37% | 0.365 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 117.3 | 175.5 | -173 | 177.2 | 85.9 | 65.5 | 0 | 112.1 | A583 Y588 | K579-A583 HydrophobicContact CG-CB 4.37Å; K579-A583 PolarHBondContact NZ-O 3Å; K579-Y588 VanDerWaalsContact CA-CE2 3.43Å; K579-Y588 HydrophobicContact CB-CD1 3.69Å; K579-Y588 HydrophobicContact CB-CD2 3.76Å; K579-Y588 HydrophobicContact CB-CE1 3.79Å; K579-Y588 HydrophobicContact CB-CE2 3.88Å; K579-Y588 HydrophobicContact CB-CG 3.66Å; K579-Y588 HydrophobicContact CD-CD1 4Å; K579-Y588 HydrophobicContact CD-CG 3.94Å; K579-Y588 HydrophobicContact CG-CD1 3.88Å; K579-Y588 HydrophobicContact CG-CD2 3.87Å; K579-Y588 HydrophobicContact CG-CE1 4.49Å; K579-Y588 HydrophobicContact CG-CG 3.52Å |
| 580 | P | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -60 | 153.4 | 173.5 | -22.6 | 34.2 | 0 | 0 | 0 | 112.5 | W549 F552 Y578 L582 A583 | W549-P580 HydrophobicContact CG-CG 4.13Å; F552-P580 HydrophobicContact CB-CB 3.87Å; F552-P580 HydrophobicContact CB-CG 3.91Å; F552-P580 VanDerWaalsContact O-CB 3.29Å; F552-P580 WeakPolarHBondContact O-CB 3.39Å; Y578-P580 VanDerWaalsContact O-CD 3.24Å; Y578-P580 WeakPolarHBondContact O-CD 3.36Å; P580-L582 VanDerWaalsContact C-N 3.32Å; P580-L582 PolarHBondContact O-N 3.45Å; P580-A583 HydrophobicContact CB-CB 4.14Å; P580-A583 HydrophobicContact CG-CB 4.3Å; P580-A583 PolarHBondContact O-N 2.99Å |
| 581 | R | 95.3 | Very high | 96.6 | Very high | 217 Ų | 217 | 58 Ų | 58 | 82% | 0.819 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -42.9 | -178.3 | -172.2 | -177 | 73.4 | 123 | 0.7 | 112 | A583 | R581-A583 VanDerWaalsContact C-N 3.31Š|
| 582 | L | 95.1 | Very high | 96.7 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.3 | -177.6 | -61.7 | 176.6 | 0 | 0 | 0 | 113.2 | L459 F552 E554 P580 | L459-L582 HydrophobicContact CD1-CB 4.19Å; L459-L582 HydrophobicContact CD1-CD1 3.58Å; F552-L582 HydrophobicContact CD1-CB 4.28Å; E554-L582 HydrophobicContact CG-CD1 3.94Å; P580-L582 VanDerWaalsContact C-N 3.32Å; P580-L582 PolarHBondContact O-N 3.45Å |
| 583 | A | 96.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -80.8 | 127.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F552 K579 P580 R581 V587 M591 | F552-A583 HydrophobicContact CB-CB 4.06Å; F552-A583 HydrophobicContact CD1-CB 3.9Å; F552-A583 HydrophobicContact CG-CB 3.97Å; K579-A583 HydrophobicContact CG-CB 4.37Å; K579-A583 PolarHBondContact NZ-O 3Å; P580-A583 HydrophobicContact CB-CB 4.14Å; P580-A583 HydrophobicContact CG-CB 4.3Å; P580-A583 PolarHBondContact O-N 2.99Å; R581-A583 VanDerWaalsContact C-N 3.31Å; A583-V587 HydrophobicContact CB-CG1 4.11Å; A583-M591 HydrophobicContact CB-CE 4.32Å |
| 584 | S | 95.4 | Very high | 97.1 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | trans | -66.3 | 162.9 | 168.4 | 79 | 0 | 0 | 0 | 0 | 110.9 | H586 V587 Y588 | S584-H586 VanDerWaalsContact C-N 3.26Å; S584-H586 PolarHBondContact O-N 3.37Å; S584-V587 PolarHBondContact O-N 2.86Å; S584-V587 WeakPolarHBondContact OG-CG2 3.25Å; S584-V587 PolarHBondContact OG-N 3.4Å; S584-Y588 PolarHBondContact O-N 2.68Å | ||
| 585 | T | 96 | Very high | 97.2 | Very high | 83 Ų | 83 | 53.9 Ų | 53.9 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 176.3 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | Y588 Q589 | T585-Y588 PolarHBondContact O-N 3.1Å; T585-Q589 VanDerWaalsContact O-CG 3.28Å; T585-Q589 WeakPolarHBondContact O-CG 3.3Å; T585-Q589 PolarHBondContact O-N 2.65Å |
| 586 | H | 95.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 53.9 Ų | 53.9 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 177.8 | -63.1 | 104.5 | 0 | 0 | 0 | 112.2 | S584 Y588 Q589 I590 I615 | S584-H586 VanDerWaalsContact C-N 3.26Å; S584-H586 PolarHBondContact O-N 3.37Å; H586-Y588 VanDerWaalsContact C-N 3.31Å; H586-Y588 PolarHBondContact O-N 2.58Å; H586-Q589 WeakPolarHBondContact O-CB 3.37Å; H586-Q589 PolarHBondContact O-N 3.31Å; H586-I590 PolarHBondContact O-N 2.93Å; H586-I590 VanDerWaalsContact O-N 3.11Å; H586-I615 HydrophobicContact CB-CD1 3.75Å; H586-I615 HydrophobicContact CB-CG1 4.16Å |
| 587 | V | 97.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 174.7 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | L460 M548 F552 A583 S584 Q589 I590 M591 I615 | L460-V587 HydrophobicContact CD1-CG2 4.27Å; M548-V587 HydrophobicContact CE-CG1 3.94Å; F552-V587 HydrophobicContact CD2-CG1 3.87Å; F552-V587 HydrophobicContact CE1-CG1 4.28Å; F552-V587 HydrophobicContact CE2-CG1 3.45Å; F552-V587 VanDerWaalsContact CE2-CG1 3.45Å; F552-V587 HydrophobicContact CG-CG1 4.45Å; F552-V587 HydrophobicContact CZ-CG1 3.68Å; F552-V587 HydrophobicContact CZ-CG2 4.17Å; A583-V587 HydrophobicContact CB-CG1 4.11Å; S584-V587 PolarHBondContact O-N 2.86Å; S584-V587 WeakPolarHBondContact OG-CG2 3.25Å; S584-V587 PolarHBondContact OG-N 3.4Å; V587-Q589 VanDerWaalsContact C-N 3.35Å; V587-Q589 PolarHBondContact O-N 3.36Å; V587-I590 WeakPolarHBondContact O-CB 3.44Å; V587-I590 PolarHBondContact O-N 3.29Å; V587-M591 HydrophobicContact CG1-CE 3.67Å; V587-M591 PolarHBondContact O-N 3.31Å; V587-M591 VanDerWaalsContact O-N 3.12Å; V587-I615 HydrophobicContact CG2-CD1 4.26Å; V587-I615 HydrophobicContact CG2-CG2 3.89Å |
| 588 | Y | 98.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 18% | 0.184 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.7 | -32.6 | 178.5 | -173.3 | -118.7 | 0 | 0 | 0 | 113.3 | L577 K579 S584 T585 H586 I590 M591 N592 W595 | L577-Y588 WeakPolarHBondContact O-CE2 3.42Å; L577-Y588 PolarHBondContact O-OH 3.31Å; K579-Y588 VanDerWaalsContact CA-CE2 3.43Å; K579-Y588 HydrophobicContact CB-CD1 3.69Å; K579-Y588 HydrophobicContact CB-CD2 3.76Å; K579-Y588 HydrophobicContact CB-CE1 3.79Å; K579-Y588 HydrophobicContact CB-CE2 3.88Å; K579-Y588 HydrophobicContact CB-CG 3.66Å; K579-Y588 HydrophobicContact CD-CD1 4Å; K579-Y588 HydrophobicContact CD-CG 3.94Å; K579-Y588 HydrophobicContact CG-CD1 3.88Å; K579-Y588 HydrophobicContact CG-CD2 3.87Å; K579-Y588 HydrophobicContact CG-CE1 4.49Å; K579-Y588 HydrophobicContact CG-CG 3.52Å; S584-Y588 PolarHBondContact O-N 2.68Å; T585-Y588 PolarHBondContact O-N 3.1Å; H586-Y588 VanDerWaalsContact C-N 3.31Å; H586-Y588 PolarHBondContact O-N 2.58Å; Y588-I590 VanDerWaalsContact C-N 3.29Å; Y588-I590 PolarHBondContact O-N 3.34Å; Y588-M591 HydrophobicContact CD2-CB 4.41Å; Y588-M591 HydrophobicContact CD2-SD 3.82Å; Y588-M591 WeakPolarHBondContact O-CB 3.49Å; Y588-M591 PolarHBondContact O-N 2.76Å; Y588-N592 VanDerWaalsContact CD1-ND2 3.3Å; Y588-N592 WeakPolarHBondContact CD1-ND2 3.41Å; Y588-N592 WeakPolarHBondContact CE1-ND2 3.24Å; Y588-N592 PolarHBondContact O-N 2.83Å; Y588-N592 PolarHBondContact O-ND2 3.06Å; Y588-W595 HydrophobicContact CE2-CZ3 4.13Å |
| 589 | Q | 98.1 | Very high | 97.2 | Very high | 94 Ų | 94 | 59 Ų | 59 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 171.3 | -76.7 | 170.1 | -5.4 | 0 | 0 | 111.3 | T585 H586 V587 N592 H593 | T585-Q589 VanDerWaalsContact O-CG 3.28Å; T585-Q589 WeakPolarHBondContact O-CG 3.3Å; T585-Q589 PolarHBondContact O-N 2.65Å; H586-Q589 WeakPolarHBondContact O-CB 3.37Å; H586-Q589 PolarHBondContact O-N 3.31Å; V587-Q589 VanDerWaalsContact C-N 3.35Å; V587-Q589 PolarHBondContact O-N 3.36Å; Q589-N592 PolarHBondContact O-N 3.28Å; Q589-H593 PolarHBondContact O-N 2.83Å; Q589-H593 PolarHBondContact O-ND1 3.4Å; Q589-H593 VanDerWaalsContact O-ND1 3.13Å |
| 590 | I | 98.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 173 | -67.5 | 178.4 | 0 | 0 | 0 | 110.8 | M548 H586 V587 Y588 N592 H593 C594 L608 Q611 L612 I615 | M548-I590 HydrophobicContact CE-CG2 4.14Å; M548-I590 HydrophobicContact SD-CG2 4.09Å; H586-I590 PolarHBondContact O-N 2.93Å; H586-I590 VanDerWaalsContact O-N 3.11Å; V587-I590 WeakPolarHBondContact O-CB 3.44Å; V587-I590 PolarHBondContact O-N 3.29Å; Y588-I590 VanDerWaalsContact C-N 3.29Å; Y588-I590 PolarHBondContact O-N 3.34Å; I590-N592 VanDerWaalsContact C-N 3.26Å; I590-N592 PolarHBondContact O-N 3.34Å; I590-H593 WeakPolarHBondContact O-CB 3.17Å; I590-H593 PolarHBondContact O-N 3.26Å; I590-C594 PolarHBondContact O-N 3.11Å; I590-C594 PolarHBondContact O-SG 2.91Å; I590-C594 VanDerWaalsContact O-SG 3.41Å; I590-L608 HydrophobicContact CG2-CD2 3.51Å; I590-Q611 HydrophobicContact CD1-CB 3.79Å; I590-L612 HydrophobicContact CD1-CD2 3.65Å; I590-L612 HydrophobicContact CD1-CG 4.09Å; I590-L612 HydrophobicContact CG2-CD2 4.37Å; I590-I615 HydrophobicContact CD1-CD1 3.35Å; I590-I615 HydrophobicContact CG1-CD1 4.27Å |
| 591 | M | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.9 | -43.2 | 175.5 | -62.7 | 168 | -177.1 | 0 | 0 | 111.7 | M548 W549 F552 A583 V587 Y588 H593 C594 W595 | M548-M591 HydrophobicContact CB-CE 3.71Å; M548-M591 HydrophobicContact CB-CG 3.99Å; M548-M591 HydrophobicContact CE-CE 4.31Å; M548-M591 HydrophobicContact CE-CG 4.17Å; M548-M591 HydrophobicContact SD-CG 4.24Å; W549-M591 HydrophobicContact CB-SD 4.47Å; F552-M591 HydrophobicContact CB-CE 4.07Å; F552-M591 HydrophobicContact CD2-CE 3.51Å; F552-M591 HydrophobicContact CE2-CE 4.29Å; F552-M591 HydrophobicContact CG-CE 4.03Å; A583-M591 HydrophobicContact CB-CE 4.32Å; V587-M591 HydrophobicContact CG1-CE 3.67Å; V587-M591 PolarHBondContact O-N 3.31Å; V587-M591 VanDerWaalsContact O-N 3.12Å; Y588-M591 HydrophobicContact CD2-CB 4.41Å; Y588-M591 HydrophobicContact CD2-SD 3.82Å; Y588-M591 WeakPolarHBondContact O-CB 3.49Å; Y588-M591 PolarHBondContact O-N 2.76Å; M591-H593 VanDerWaalsContact C-N 3.35Å; M591-H593 PolarHBondContact O-N 2.78Å; M591-C594 VanDerWaalsContact O-CB 3.31Å; M591-C594 WeakPolarHBondContact O-CB 3.15Å; M591-C594 PolarHBondContact O-N 2.68Å; M591-C594 VanDerWaalsContact O-N 3.16Å; M591-W595 HydrophobicContact CB-CE3 4.32Å; M591-W595 HydrophobicContact CB-CH2 3.72Å; M591-W595 HydrophobicContact CB-CZ2 4.12Å; M591-W595 HydrophobicContact CB-CZ3 3.84Å; M591-W595 HydrophobicContact CG-CH2 4.42Å; M591-W595 PolarHBondContact O-N 3.18Å; M591-W595 VanDerWaalsContact O-N 3.16Å; M591-W595 HydrophobicContact SD-CH2 4.41Å |
| 592 | N | 98.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.1 | -31 | 176.8 | -77.3 | -70.9 | 0 | 0 | 0 | 113.8 | Y588 Q589 I590 C594 W595 | Y588-N592 VanDerWaalsContact CD1-ND2 3.3Å; Y588-N592 WeakPolarHBondContact CD1-ND2 3.41Å; Y588-N592 WeakPolarHBondContact CE1-ND2 3.24Å; Y588-N592 PolarHBondContact O-N 2.83Å; Y588-N592 PolarHBondContact O-ND2 3.06Å; Q589-N592 PolarHBondContact O-N 3.28Å; I590-N592 VanDerWaalsContact C-N 3.26Å; I590-N592 PolarHBondContact O-N 3.34Å; N592-C594 VanDerWaalsContact C-N 3.33Å; N592-W595 PolarHBondContact O-N 2.86Å |
| 593 | H | 98.4 | Very high | 97.4 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 36% | 0.356 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 171.5 | -66.3 | 136.9 | 0 | 0 | 0 | 111.7 | Q589 I590 M591 W595 K596 P603 | Q589-H593 PolarHBondContact O-N 2.83Å; Q589-H593 PolarHBondContact O-ND1 3.4Å; Q589-H593 VanDerWaalsContact O-ND1 3.13Å; I590-H593 WeakPolarHBondContact O-CB 3.17Å; I590-H593 PolarHBondContact O-N 3.26Å; M591-H593 VanDerWaalsContact C-N 3.35Å; M591-H593 PolarHBondContact O-N 2.78Å; H593-W595 VanDerWaalsContact C-N 3.25Å; H593-W595 PolarHBondContact O-N 3.07Å; H593-K596 WeakPolarHBondContact O-CG 3.3Å; H593-P603 HydrophobicContact CB-CG 4.28Å; H593-P603 WeakPolarHBondContact O-CD 3.42Å |
| 594 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -31.3 | 172.4 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | V541 I590 M591 N592 R602 | V541-C594 HydrophobicContact CG1-CB 4.04Å; V541-C594 VanDerWaalsContact O-CB 3.31Å; V541-C594 WeakPolarHBondContact O-CB 3.47Å; I590-C594 PolarHBondContact O-N 3.11Å; I590-C594 PolarHBondContact O-SG 2.91Å; I590-C594 VanDerWaalsContact O-SG 3.41Å; M591-C594 VanDerWaalsContact O-CB 3.31Å; M591-C594 WeakPolarHBondContact O-CB 3.15Å; M591-C594 PolarHBondContact O-N 2.68Å; M591-C594 VanDerWaalsContact O-N 3.16Å; N592-C594 VanDerWaalsContact C-N 3.33Å; C594-R602 VanDerWaalsContact O-CD 3.26Å; C594-R602 WeakPolarHBondContact O-CD 3.46Å |
| 595 | W | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 25.4 | -177.4 | -51.3 | -42 | 0 | 0 | 0 | 115.2 | W542 G545 V546 W549 R576 L577 Y588 M591 N592 H593 | W542-W595 HydrophobicContact CD2-CB 4.5Å; W542-W595 AromaticContact CD2-CD1 3.76Å; W542-W595 AromaticContact CE2-CD1 3.86Å; W542-W595 VanDerWaalsContact CE3-CA 3.49Å; W542-W595 HydrophobicContact CE3-CB 4.09Å; W542-W595 HydrophobicContact CH2-CB 4.07Å; W542-W595 HydrophobicContact CZ2-CB 4.47Å; W542-W595 VanDerWaalsContact CZ3-C 3.48Å; W542-W595 HydrophobicContact CZ3-CB 3.87Å; W542-W595 VanDerWaalsContact CZ3-O 3.31Å; W542-W595 WeakPolarHBondContact CZ3-O 3.17Å; W542-W595 PolarHBondContact O-NE1 3.31Å; G545-W595 VanDerWaalsContact C-CZ2 3.43Å; G545-W595 WeakPolarHBondContact O-CZ2 3.49Å; V546-W595 HydrophobicContact CG2-CZ2 4.46Å; W549-W595 HydrophobicContact CB-CH2 4.22Å; W549-W595 HydrophobicContact CB-CZ2 4.22Å; R576-W595 HydrophobicContact CB-CE3 4.11Å; R576-W595 PolarHBondContact NE-O 3Å; R576-W595 PolarHBondContact NH2-O 2.96Å; R576-W595 VanDerWaalsContact NH2-O 3.15Å; L577-W595 HydrophobicContact CB-CH2 3.73Å; L577-W595 HydrophobicContact CB-CZ2 4.35Å; L577-W595 HydrophobicContact CB-CZ3 4.14Å; L577-W595 HydrophobicContact CD1-CH2 4.18Å; L577-W595 HydrophobicContact CD1-CZ2 3.97Å; L577-W595 HydrophobicContact CG-CH2 4.49Å; Y588-W595 HydrophobicContact CE2-CZ3 4.13Å; M591-W595 HydrophobicContact CB-CE3 4.32Å; M591-W595 HydrophobicContact CB-CH2 3.72Å; M591-W595 HydrophobicContact CB-CZ2 4.12Å; M591-W595 HydrophobicContact CB-CZ3 3.84Å; M591-W595 HydrophobicContact CG-CH2 4.42Å; M591-W595 PolarHBondContact O-N 3.18Å; M591-W595 VanDerWaalsContact O-N 3.16Å; M591-W595 HydrophobicContact SD-CH2 4.41Å; N592-W595 PolarHBondContact O-N 2.86Å; H593-W595 VanDerWaalsContact C-N 3.25Å; H593-W595 PolarHBondContact O-N 3.07Å |
| 596 | K | 98.2 | Very high | 97.5 | Very high | 93 Ų | 93 | 51.6 Ų | 51.6 | 40% | 0.404 | 25% | 0.253 | S | S | . | . | trans | -62.8 | 139.6 | 169.7 | -69.5 | -68.5 | -177.4 | 178.9 | 0 | 110.1 | H593 D601 R602 | H593-K596 WeakPolarHBondContact O-CG 3.3Å; K596-D601 HydrophobicContact CB-CB 3.83Å; K596-D601 HydrophobicContact CG-CB 4.1Å; K596-R602 HydrophobicContact CB-CG 4.01Å; K596-R602 PolarHBondContact O-NE 3.22Å; K596-R602 PolarHBondContact O-NH2 2.86Å | ||
| 597 | E | 95.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 52.3 Ų | 52.3 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -58.2 | -53.2 | -177 | -168.1 | 62.2 | -154.7 | 0 | 0 | 110.9 | R576 R602 | R576-E597 IonicContact CZ-OE2 3.76Å; R576-E597 IonicContact NH2-OE2 2.78Å; R576-E597 PolarHBondContact NH2-OE2 3.27Å; E597-R602 PolarHBondContact O-NH2 3.38Å |
| 598 | R | 96.7 | Very high | 97.5 | Very high | 142 Ų | 142 | 52.2 Ų | 52.2 | 54% | 0.536 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -76 | 126.3 | 177.9 | -64.7 | 176.5 | 66.6 | -171.3 | 0.5 | 110.6 | E600 D601 | R598-E600 VanDerWaalsContact C-N 3.26Å; R598-E600 HydrophobicContact CB-CG 4.21Å; R598-E600 IonicContact CZ-OE1 3.11Å; R598-E600 IonicContact NE-OE1 3.82Å; R598-E600 PolarHBondContact NE-OE1 2.72Å; R598-E600 IonicContact NH2-OE1 2.68Å; R598-E600 PolarHBondContact NH2-OE1 3.25Å; R598-E600 PolarHBondContact O-N 2.88Å; R598-D601 HydrophobicContact CB-CB 4.37Å; R598-D601 PolarHBondContact O-N 3.46Å; R598-D601 VanDerWaalsContact O-N 3.11Å |
| 599 | P | 96.8 | Very high | 97.2 | Very high | 35 Ų | 35 | 52.2 Ų | 52.2 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -54.4 | -39.1 | 178.4 | -28.2 | 35.7 | 0 | 0 | 0 | 114 | E528 K538 D601 R602 | E528-P599 HydrophobicContact CG-CG 4.11Å; K538-P599 HydrophobicContact CB-CB 3.79Å; K538-P599 HydrophobicContact CG-CB 4.25Å; K538-P599 WeakPolarHBondContact CG-O 3.14Å; P599-D601 PolarHBondContact O-N 3.23Å; P599-R602 WeakPolarHBondContact O-CB 3.29Å; P599-R602 PolarHBondContact O-N 3.01Å; P599-R602 VanDerWaalsContact O-N 3.1Å |
| 600 | E | 96.3 | Very high | 96.7 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -66 | -22.9 | -179.6 | 58.3 | -91.5 | -147.9 | 0 | 0 | 114.1 | R598 R602 | R598-E600 VanDerWaalsContact C-N 3.26Å; R598-E600 HydrophobicContact CB-CG 4.21Å; R598-E600 IonicContact CZ-OE1 3.11Å; R598-E600 IonicContact NE-OE1 3.82Å; R598-E600 PolarHBondContact NE-OE1 2.72Å; R598-E600 IonicContact NH2-OE1 2.68Å; R598-E600 PolarHBondContact NH2-OE1 3.25Å; R598-E600 PolarHBondContact O-N 2.88Å; E600-R602 VanDerWaalsContact C-N 3.28Å |
| 601 | D | 97.7 | Very high | 96.4 | Very high | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -82.5 | -10 | 176.7 | -68.6 | -26.5 | 0 | 0 | 0 | 112 | K596 R598 P599 | K596-D601 HydrophobicContact CB-CB 3.83Å; K596-D601 HydrophobicContact CG-CB 4.1Å; R598-D601 HydrophobicContact CB-CB 4.37Å; R598-D601 PolarHBondContact O-N 3.46Å; R598-D601 VanDerWaalsContact O-N 3.11Å; P599-D601 PolarHBondContact O-N 3.23Å |
| 602 | R | 98.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -81.3 | 135.9 | 178 | -56.2 | 175.1 | -163.6 | 152.3 | 11.7 | 109.9 | E528 K538 V541 C594 K596 E597 P599 E600 | E528-R602 IonicContact OE1-CZ 2.87Å; E528-R602 IonicContact OE1-NH1 2.76Å; E528-R602 PolarHBondContact OE1-NH1 3.45Å; E528-R602 IonicContact OE1-NH2 2.83Å; E528-R602 PolarHBondContact OE1-NH2 3.06Å; E528-R602 IonicContact OE2-CZ 3.89Å; E528-R602 IonicContact OE2-NH1 2.66Å; E528-R602 IonicContact OE2-NH2 2.77Å; E528-R602 PolarHBondContact OE2-NH2 3.49Å; K538-R602 HydrophobicContact CD-CB 4.38Å; K538-R602 PolarHBondContact NZ-O 3.43Å; K538-R602 WeakPolarHBondContact O-CD 3.28Å; K538-R602 PolarHBondContact O-NH1 2.99Å; V541-R602 HydrophobicContact CG1-CB 3.91Å; C594-R602 VanDerWaalsContact O-CD 3.26Å; C594-R602 WeakPolarHBondContact O-CD 3.46Å; K596-R602 HydrophobicContact CB-CG 4.01Å; K596-R602 PolarHBondContact O-NE 3.22Å; K596-R602 PolarHBondContact O-NH2 2.86Å; E597-R602 PolarHBondContact O-NH2 3.38Å; P599-R602 WeakPolarHBondContact O-CB 3.29Å; P599-R602 PolarHBondContact O-N 3.01Å; P599-R602 VanDerWaalsContact O-N 3.1Å; E600-R602 VanDerWaalsContact C-N 3.28Å |
| 603 | P | 98 | Very high | 95.1 | Very high | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 157 | 179.5 | 28.7 | -35.4 | 0 | 0 | 0 | 111.5 | K538 V541 H593 R607 L608 | K538-P603 PolarHBondContact NZ-O 3.14Å; V541-P603 HydrophobicContact CG1-CG 4.47Å; V541-P603 WeakPolarHBondContact CG2-O 3.32Å; H593-P603 HydrophobicContact CB-CG 4.28Å; H593-P603 WeakPolarHBondContact O-CD 3.42Å; P603-R607 HydrophobicContact CB-CB 4.42Å; P603-R607 HydrophobicContact CB-CG 4.35Å; P603-L608 HydrophobicContact CB-CD2 4.15Å; P603-L608 HydrophobicContact CB-CG 4.05Å; P603-L608 HydrophobicContact CG-CD1 4.1Å; P603-L608 HydrophobicContact CG-CD2 3.42Å; P603-L608 VanDerWaalsContact CG-CD2 3.42Å; P603-L608 HydrophobicContact CG-CG 3.67Å |
| 604 | A | 97.7 | Very high | 94.3 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 156.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E474 S606 R607 L608 | E474-A604 WeakPolarHBondContact OE1-CA 3.37Å; A604-S606 VanDerWaalsContact C-N 3.29Å; A604-S606 PolarHBondContact O-N 3.08Å; A604-R607 WeakPolarHBondContact O-CB 3.26Å; A604-R607 PolarHBondContact O-N 3.29Å; A604-L608 PolarHBondContact O-N 3.16Å |
| 605 | F | 98.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 178 | -82 | -73 | 0 | 0 | 0 | 112.2 | M470 A471 E474 L483 D540 V541 F544 R607 L608 L609 | M470-F605 HydrophobicContact CB-CD1 3.49Å; M470-F605 VanDerWaalsContact CB-CD1 3.49Å; M470-F605 HydrophobicContact CB-CD2 4.03Å; M470-F605 HydrophobicContact CB-CE1 3.38Å; M470-F605 HydrophobicContact CB-CE2 3.93Å; M470-F605 HydrophobicContact CB-CG 3.82Å; M470-F605 HydrophobicContact CB-CZ 3.61Å; M470-F605 HydrophobicContact CE-CE2 3.86Å; M470-F605 HydrophobicContact CE-CZ 3.8Å; M470-F605 HydrophobicContact CG-CD1 4.46Å; M470-F605 HydrophobicContact CG-CE1 3.89Å; M470-F605 HydrophobicContact CG-CZ 3.97Å; A471-F605 HydrophobicContact CB-CB 3.91Å; E474-F605 HydrophobicContact CB-CD2 4.18Å; E474-F605 PolarHBondContact OE1-N 3.1Å; E474-F605 VanDerWaalsContact OE1-N 3.14Å; E474-F605 PolarHBondContact OE2-N 3.43Å; L483-F605 HydrophobicContact CD2-CZ 4.42Å; D540-F605 HydrophobicContact CB-CE2 3.93Å; D540-F605 HydrophobicContact CB-CZ 4.07Å; V541-F605 HydrophobicContact CG2-CD2 3.85Å; V541-F605 HydrophobicContact CG2-CE1 4.43Å; V541-F605 HydrophobicContact CG2-CE2 3.62Å; V541-F605 HydrophobicContact CG2-CG 4.36Å; V541-F605 HydrophobicContact CG2-CZ 3.94Å; F544-F605 HydrophobicContact CB-CE1 3.67Å; F544-F605 HydrophobicContact CB-CZ 3.97Å; F544-F605 HydrophobicContact CD1-CE1 4.06Å; F544-F605 HydrophobicContact CD2-CE1 4.15Å; F544-F605 AromaticContact CG-CE1 3.7Å; F544-F605 HydrophobicContact CG-CE1 3.7Å; F544-F605 HydrophobicContact CG-CZ 4.48Å; F605-R607 PolarHBondContact O-N 2.95Å; F605-L608 HydrophobicContact CD1-CD1 4.16Å; F605-L608 HydrophobicContact CE1-CD1 4.5Å; F605-L608 WeakPolarHBondContact O-CB 3.4Å; F605-L608 PolarHBondContact O-N 2.77Å; F605-L608 VanDerWaalsContact O-N 3.13Å; F605-L609 WeakPolarHBondContact O-CB 3.44Å; F605-L609 PolarHBondContact O-N 2.77Å |
| 606 | S | 93.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 59.5 Ų | 59.5 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.5 | -38.2 | 173 | 57 | 0 | 0 | 0 | 0 | 113.3 | E474 A604 R610 | E474-S606 PolarHBondContact OE2-N 3.12Å; A604-S606 VanDerWaalsContact C-N 3.29Å; A604-S606 PolarHBondContact O-N 3.08Å; S606-R610 PolarHBondContact O-N 3.27Å |
| 607 | R | 96 | Very high | 90.7 | Very high | 132 Ų | 132 | 57.5 Ų | 57.5 | 50% | 0.498 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.4 | -42.3 | 176.1 | 178.6 | 175.2 | 178 | 172.6 | 0.7 | 111.5 | P603 A604 F605 L609 R610 Q611 | P603-R607 HydrophobicContact CB-CB 4.42Å; P603-R607 HydrophobicContact CB-CG 4.35Å; A604-R607 WeakPolarHBondContact O-CB 3.26Å; A604-R607 PolarHBondContact O-N 3.29Å; F605-R607 PolarHBondContact O-N 2.95Å; R607-L609 VanDerWaalsContact C-N 3.34Å; R607-R610 PolarHBondContact O-N 3.27Å; R607-Q611 WeakPolarHBondContact O-CG 3.25Å; R607-Q611 PolarHBondContact O-N 3.02Å |
| 608 | L | 97.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 176.8 | -73 | 172.3 | 0 | 0 | 0 | 111.4 | V541 F544 I590 P603 A604 F605 R610 Q611 L612 | V541-L608 HydrophobicContact CG1-CD1 4.01Å; V541-L608 HydrophobicContact CG2-CD1 4.38Å; F544-L608 HydrophobicContact CD1-CD1 3.92Å; F544-L608 HydrophobicContact CE1-CD1 4.17Å; I590-L608 HydrophobicContact CG2-CD2 3.51Å; P603-L608 HydrophobicContact CB-CD2 4.15Å; P603-L608 HydrophobicContact CB-CG 4.05Å; P603-L608 HydrophobicContact CG-CD1 4.1Å; P603-L608 HydrophobicContact CG-CD2 3.42Å; P603-L608 VanDerWaalsContact CG-CD2 3.42Å; P603-L608 HydrophobicContact CG-CG 3.67Å; A604-L608 PolarHBondContact O-N 3.16Å; F605-L608 HydrophobicContact CD1-CD1 4.16Å; F605-L608 HydrophobicContact CE1-CD1 4.5Å; F605-L608 WeakPolarHBondContact O-CB 3.4Å; F605-L608 PolarHBondContact O-N 2.77Å; F605-L608 VanDerWaalsContact O-N 3.13Å; L608-R610 VanDerWaalsContact C-N 3.34Å; L608-R610 PolarHBondContact O-N 2.66Å; L608-Q611 PolarHBondContact O-N 3.45Å; L608-Q611 VanDerWaalsContact O-N 3.14Å; L608-L612 WeakPolarHBondContact O-CB 3.33Å; L608-L612 WeakPolarHBondContact O-CG 3.2Å; L608-L612 PolarHBondContact O-N 2.77Å |
| 609 | L | 92.8 | Very high | 87.1 | Confident | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 179.2 | -177.9 | 61.4 | 0 | 0 | 0 | 111.1 | L464 C467 E468 A471 F605 R607 Q611 L612 A613 | L464-L609 HydrophobicContact CD2-CD1 3.98Å; C467-L609 HydrophobicContact CB-CD1 4.21Å; C467-L609 PolarHBondContact SG-N 3.01Å; C467-L609 VanDerWaalsContact SG-N 3.4Å; E468-L609 HydrophobicContact CB-CD1 4.02Å; E468-L609 HydrophobicContact CB-CD2 4.42Å; E468-L609 HydrophobicContact CG-CD2 4.38Å; A471-L609 HydrophobicContact CB-CD2 4.47Å; F605-L609 WeakPolarHBondContact O-CB 3.44Å; F605-L609 PolarHBondContact O-N 2.77Å; R607-L609 VanDerWaalsContact C-N 3.34Å; L609-Q611 PolarHBondContact O-N 3.01Å; L609-L612 PolarHBondContact O-N 2.89Å; L609-A613 WeakPolarHBondContact O-CB 3.4Å; L609-A613 PolarHBondContact O-N 3.25Å |
| 610 | R | 87.4 | Confident | 84.3 | Confident | 141 Ų | 141 | 60.4 Ų | 60.4 | 53% | 0.532 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.4 | 176.6 | 179.6 | 51.3 | 176.8 | -8.3 | 112.2 | S606 R607 L608 L612 A613 E614 | S606-R610 PolarHBondContact O-N 3.27Å; R607-R610 PolarHBondContact O-N 3.27Å; L608-R610 VanDerWaalsContact C-N 3.34Å; L608-R610 PolarHBondContact O-N 2.66Å; R610-L612 PolarHBondContact O-N 3.12Å; R610-A613 PolarHBondContact O-N 3.34Å; R610-E614 WeakPolarHBondContact CG-OE1 3.17Å; R610-E614 VanDerWaalsContact O-CG 3.29Å; R610-E614 WeakPolarHBondContact O-CG 3.44Å; R610-E614 PolarHBondContact O-N 3.43Å |
| 611 | Q | 91.2 | Very high | 83.7 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | -179.7 | -71.8 | -179.9 | -47.3 | 0 | 0 | 112.4 | I590 R607 L608 L609 E614 I615 | I590-Q611 HydrophobicContact CD1-CB 3.79Å; R607-Q611 WeakPolarHBondContact O-CG 3.25Å; R607-Q611 PolarHBondContact O-N 3.02Å; L608-Q611 PolarHBondContact O-N 3.45Å; L608-Q611 VanDerWaalsContact O-N 3.14Å; L609-Q611 PolarHBondContact O-N 3.01Å; Q611-E614 PolarHBondContact O-N 2.78Å; Q611-I615 WeakPolarHBondContact O-CG1 3.38Å; Q611-I615 PolarHBondContact O-N 3.05Å; Q611-I615 VanDerWaalsContact O-N 3.09Å |
| 612 | L | 88.4 | Confident | 83 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 176.6 | -69.4 | 171.2 | 0 | 0 | 0 | 111.5 | L460 L464 C467 F544 M548 I590 L608 L609 R610 I615 A616 | L460-L612 HydrophobicContact CD1-CB 4.48Å; L460-L612 HydrophobicContact CD1-CD2 3.75Å; L464-L612 HydrophobicContact CD2-CB 3.53Å; L464-L612 HydrophobicContact CG-CB 4.1Å; C467-L612 HydrophobicContact CB-CD1 4.1Å; F544-L612 HydrophobicContact CE1-CD1 4Å; F544-L612 HydrophobicContact CZ-CD1 3.75Å; M548-L612 HydrophobicContact CE-CD2 3.57Å; I590-L612 HydrophobicContact CD1-CD2 3.65Å; I590-L612 HydrophobicContact CD1-CG 4.09Å; I590-L612 HydrophobicContact CG2-CD2 4.37Å; L608-L612 WeakPolarHBondContact O-CB 3.33Å; L608-L612 WeakPolarHBondContact O-CG 3.2Å; L608-L612 PolarHBondContact O-N 2.77Å; L609-L612 PolarHBondContact O-N 2.89Å; R610-L612 PolarHBondContact O-N 3.12Å; L612-I615 PolarHBondContact O-N 3.35Å; L612-A616 PolarHBondContact O-N 3.33Å |
| 613 | A | 82.2 | Confident | 82.1 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | L464 L609 R610 I615 A616 E617 | L464-A613 HydrophobicContact CD2-CB 4.33Å; L609-A613 WeakPolarHBondContact O-CB 3.4Å; L609-A613 PolarHBondContact O-N 3.25Å; R610-A613 PolarHBondContact O-N 3.34Å; A613-I615 VanDerWaalsContact C-N 3.26Å; A613-I615 PolarHBondContact O-N 3.05Å; A613-A616 PolarHBondContact O-N 3.39Å; A613-A616 VanDerWaalsContact O-N 3.11Å; A613-E617 WeakPolarHBondContact O-CB 3.1Å; A613-E617 WeakPolarHBondContact O-CG 3.4Å; A613-E617 PolarHBondContact O-N 2.89Å |
| 614 | E | 81.7 | Confident | 81.2 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 48% | 0.477 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.5 | -37.5 | 174.8 | -73.1 | 168.7 | -172.6 | 0 | 0 | 112.5 | R610 Q611 E617 S618 | R610-E614 WeakPolarHBondContact CG-OE1 3.17Å; R610-E614 VanDerWaalsContact O-CG 3.29Å; R610-E614 WeakPolarHBondContact O-CG 3.44Å; R610-E614 PolarHBondContact O-N 3.43Å; Q611-E614 PolarHBondContact O-N 2.78Å; E614-E617 PolarHBondContact O-N 2.89Å; E614-S618 WeakPolarHBondContact O-CB 3.26Å; E614-S618 PolarHBondContact O-N 3.01Å; E614-S618 PolarHBondContact O-OG 3.2Å |
| 615 | I | 82.8 | Confident | 80.2 | Confident | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.138 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 175.4 | -67.7 | 172.2 | 0 | 0 | 0 | 111.6 | L460 H586 V587 I590 Q611 L612 A613 E617 S618 G619 | L460-I615 HydrophobicContact CD2-CB 4.33Å; L460-I615 HydrophobicContact CD2-CG2 3.79Å; H586-I615 HydrophobicContact CB-CD1 3.75Å; H586-I615 HydrophobicContact CB-CG1 4.16Å; V587-I615 HydrophobicContact CG2-CD1 4.26Å; V587-I615 HydrophobicContact CG2-CG2 3.89Å; I590-I615 HydrophobicContact CD1-CD1 3.35Å; I590-I615 HydrophobicContact CG1-CD1 4.27Å; Q611-I615 WeakPolarHBondContact O-CG1 3.38Å; Q611-I615 PolarHBondContact O-N 3.05Å; Q611-I615 VanDerWaalsContact O-N 3.09Å; L612-I615 PolarHBondContact O-N 3.35Å; A613-I615 VanDerWaalsContact C-N 3.26Å; A613-I615 PolarHBondContact O-N 3.05Å; I615-E617 PolarHBondContact O-N 2.81Å; I615-E617 VanDerWaalsContact O-N 3.14Å; I615-S618 WeakPolarHBondContact CA-OG 3.33Å; I615-S618 PolarHBondContact O-N 3.19Å; I615-S618 PolarHBondContact O-OG 3.32Å; I615-G619 PolarHBondContact O-N 3.12Å |
| 616 | A | 75.2 | Confident | 79 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -26.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L460 L464 L612 A613 | L460-A616 VanDerWaalsContact CD2-CA 3.48Å; L460-A616 HydrophobicContact CD2-CB 3.63Å; L460-A616 HydrophobicContact CG-CB 4.22Å; L464-A616 HydrophobicContact CD1-CB 3.87Å; L612-A616 PolarHBondContact O-N 3.33Å; A613-A616 PolarHBondContact O-N 3.39Å; A613-A616 VanDerWaalsContact O-N 3.11Å |
| 617 | E | 61.3 | Low | 77.9 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 24% | 0.238 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -85.5 | -38 | 179.1 | -72.2 | 173.2 | -176.3 | 0 | 0 | 113.8 | R268 A613 E614 I615 G619 | R268-E617 VanDerWaalsContact CA-CD 3.44Å; R268-E617 WeakPolarHBondContact CA-OE1 3.44Å; R268-E617 WeakPolarHBondContact CA-OE2 3.26Å; R268-E617 HydrophobicContact CB-CG 3.99Å; R268-E617 WeakPolarHBondContact CB-OE2 3.49Å; R268-E617 HydrophobicContact CG-CB 4.13Å; R268-E617 HydrophobicContact CG-CG 3.51Å; R268-E617 PolarHBondContact NH1-O 3.33Å; R268-E617 PolarHBondContact NH2-O 3.45Å; A613-E617 WeakPolarHBondContact O-CB 3.1Å; A613-E617 WeakPolarHBondContact O-CG 3.4Å; A613-E617 PolarHBondContact O-N 2.89Å; E614-E617 PolarHBondContact O-N 2.89Å; I615-E617 PolarHBondContact O-N 2.81Å; I615-E617 VanDerWaalsContact O-N 3.14Å; E617-G619 VanDerWaalsContact C-N 3.26Å; E617-G619 PolarHBondContact O-N 3.34Å |
| 618 | S | 65 | Low | 76.6 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 58% | 0.58 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -81.3 | 0.4 | 178.5 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | E614 I615 L620 | E614-S618 WeakPolarHBondContact O-CB 3.26Å; E614-S618 PolarHBondContact O-N 3.01Å; E614-S618 PolarHBondContact O-OG 3.2Å; I615-S618 WeakPolarHBondContact CA-OG 3.33Å; I615-S618 PolarHBondContact O-N 3.19Å; I615-S618 PolarHBondContact O-OG 3.32Å; S618-L620 PolarHBondContact O-N 3.46Å |
| 619 | G | 51.1 | Low | 74.8 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 57% | 0.567 | 38% | 0.384 | S | S | * | . | trans | -68.9 | 31.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I615 E617 | I615-G619 PolarHBondContact O-N 3.12Å; E617-G619 VanDerWaalsContact C-N 3.26Å; E617-G619 PolarHBondContact O-N 3.34Å | ||
| 620 | L | 39 | Very low | 73.2 | Confident | 191 Ų | 191 | 69.7 Ų | 69.7 | 100% | 1 | 40% | 0.396 | S | S | * | . | trans | -135.2 | 0 | 168.7 | -92.5 | 168.9 | 0 | 0 | 0 | 110.2 | S618 | S618-L620 PolarHBondContact O-N 3.46Š|
Retrieved 620 of 620 residues in 122.5 ms
(Link to these results)