| 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 | 49.5 | Very low | 84 | Confident | 239 Ų | 239 | 100.4 Ų | 100.4 | 100% | 1.177 | 47% | 0.469 | S | S | * | . | 0 | 106.4 | 0 | -153.2 | -176.1 | -146.2 | 0 | 0 | 108.3 | R3 | M1-R3 PolarHBondContact O-N 2.78Š| |||
| 2 | F | 52.8 | Low | 85 | Confident | 210 Ų | 210 | 100.7 Ų | 100.7 | 92% | 0.921 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 125.1 | -179.6 | -71.2 | -85.1 | 0 | 0 | 0 | 110 | T4 | F2-T4 PolarHBondContact O-N 2.63Š|
| 3 | R | 72.8 | Confident | 85.9 | Confident | 182 Ų | 182 | 92.9 Ų | 92.9 | 69% | 0.687 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 125.8 | 175.7 | -82 | 179.2 | 167.2 | 177 | -1.5 | 109.2 | M1 R11 | M1-R3 PolarHBondContact O-N 2.78Å; R3-R11 VanDerWaalsContact CZ-CZ 3.4Å |
| 4 | T | 87.3 | Confident | 86.5 | Confident | 90 Ų | 90 | 88.1 Ų | 88.1 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 147.2 | 174.1 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | F2 R6 S7 G8 | F2-T4 PolarHBondContact O-N 2.63Å; T4-R6 VanDerWaalsContact C-N 3.3Å; T4-R6 PolarHBondContact O-N 2.95Å; T4-S7 PolarHBondContact N-OG 3.42Å; T4-S7 WeakPolarHBondContact O-CB 2.97Å; T4-S7 PolarHBondContact O-N 3.38Å; T4-S7 PolarHBondContact O-OG 3.46Å; T4-S7 WeakPolarHBondContact OG1-CB 3.23Å; T4-S7 PolarHBondContact OG1-N 3.36Å; T4-G8 PolarHBondContact O-N 3.31Å |
| 5 | K | 92.6 | Very high | 87 | Confident | 119 Ų | 119 | 93.8 Ų | 93.8 | 52% | 0.517 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -51.9 | -46.6 | 177.6 | -178.5 | 165.7 | 166.4 | -131.2 | 0 | 112.3 | S7 G8 L9 E70 E74 | K5-S7 PolarHBondContact O-N 3.05Å; K5-G8 WeakPolarHBondContact O-CA 3.09Å; K5-G8 PolarHBondContact O-N 3.01Å; K5-L9 PolarHBondContact O-N 3.35Å; K5-E70 WeakPolarHBondContact CD-OE1 3.4Å; K5-E70 VanDerWaalsContact CE-OE1 3.23Å; K5-E70 WeakPolarHBondContact CE-OE1 3.45Å; K5-E70 WeakPolarHBondContact CG-OE1 3.47Å; K5-E70 IonicContact NZ-OE1 2.78Å; K5-E70 PolarHBondContact NZ-OE1 3.18Å; K5-E74 WeakPolarHBondContact CE-OE1 3.44Å; K5-E74 IonicContact NZ-OE1 2.63Å; K5-E74 PolarHBondContact NZ-OE1 2.69Å |
| 6 | R | 94.1 | Very high | 87.5 | Confident | 100 Ų | 100 | 90.3 Ų | 90.3 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -50.4 | -48.9 | 170.6 | -178.3 | -178.8 | -76.1 | 107.1 | -3.6 | 113.3 | T4 G8 L9 V10 L73 | T4-R6 VanDerWaalsContact C-N 3.3Å; T4-R6 PolarHBondContact O-N 2.95Å; R6-G8 PolarHBondContact O-N 3.03Å; R6-L9 PolarHBondContact O-N 3.14Å; R6-V10 HydrophobicContact CG-CG2 4.4Å; R6-V10 WeakPolarHBondContact O-CG2 3.38Å; R6-V10 PolarHBondContact O-N 3Å; R6-L73 HydrophobicContact CG-CD1 4.07Å |
| 7 | S | 92.8 | Very high | 87.9 | Confident | 35 Ų | 35 | 89 Ų | 89 | 25% | 0.245 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63 | -28.8 | 179.5 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | T4 K5 R11 | T4-S7 PolarHBondContact N-OG 3.42Å; T4-S7 WeakPolarHBondContact O-CB 2.97Å; T4-S7 PolarHBondContact O-N 3.38Å; T4-S7 PolarHBondContact O-OG 3.46Å; T4-S7 WeakPolarHBondContact OG1-CB 3.23Å; T4-S7 PolarHBondContact OG1-N 3.36Å; K5-S7 PolarHBondContact O-N 3.05Å; S7-R11 WeakPolarHBondContact O-CB 3.43Å; S7-R11 PolarHBondContact O-N 3.34Å; S7-R11 PolarHBondContact O-NH1 2.75Å |
| 8 | G | 95.2 | Very high | 88.1 | Confident | 24 Ų | 24 | 84.7 Ų | 84.7 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.8 | -50.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T4 K5 R6 R11 R12 | T4-G8 PolarHBondContact O-N 3.31Å; K5-G8 WeakPolarHBondContact O-CA 3.09Å; K5-G8 PolarHBondContact O-N 3.01Å; R6-G8 PolarHBondContact O-N 3.03Å; G8-R11 PolarHBondContact O-N 3.3Å; G8-R12 PolarHBondContact O-N 2.99Å |
| 9 | L | 96.6 | Very high | 87.9 | Confident | 15 Ų | 15 | 85.8 Ų | 85.8 | 8% | 0.079 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | -180 | -65.9 | 172.5 | 0 | 0 | 0 | 112.2 | K5 R6 R11 R12 L13 E70 L73 E74 L77 | K5-L9 PolarHBondContact O-N 3.35Å; R6-L9 PolarHBondContact O-N 3.14Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.32Å; L9-R12 PolarHBondContact O-N 3.09Å; L9-R12 VanDerWaalsContact O-N 3.16Å; L9-L13 PolarHBondContact O-N 2.97Å; L9-E70 HydrophobicContact CD1-CG 3.74Å; L9-L73 HydrophobicContact CB-CB 4.34Å; L9-L73 HydrophobicContact CD1-CB 3.95Å; L9-E74 HydrophobicContact CD1-CG 3.79Å; L9-E74 HydrophobicContact CD2-CG 4.09Å; L9-L77 HydrophobicContact CD2-CD2 3.56Å |
| 10 | V | 96 | Very high | 87.3 | Confident | 7 Ų | 7 | 84.1 Ų | 84.1 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | R6 W14 L65 L73 | R6-V10 HydrophobicContact CG-CG2 4.4Å; R6-V10 WeakPolarHBondContact O-CG2 3.38Å; R6-V10 PolarHBondContact O-N 3Å; V10-W14 PolarHBondContact O-N 3.17Å; V10-L65 HydrophobicContact CG1-CB 4.17Å; V10-L65 HydrophobicContact CG1-CD1 4.1Å; V10-L65 HydrophobicContact CG2-CB 4.06Å; V10-L73 HydrophobicContact CG2-CD1 4.31Å |
| 11 | R | 94.3 | Very high | 85.8 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 31% | 0.313 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 178.1 | -170.1 | -173.2 | -59 | 94.2 | 6.8 | 112 | R3 S7 G8 L9 R15 | R3-R11 VanDerWaalsContact CZ-CZ 3.4Å; S7-R11 WeakPolarHBondContact O-CB 3.43Å; S7-R11 PolarHBondContact O-N 3.34Å; S7-R11 PolarHBondContact O-NH1 2.75Å; G8-R11 PolarHBondContact O-N 3.3Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.32Å; R11-R15 WeakPolarHBondContact O-CG 3.41Å; R11-R15 PolarHBondContact O-N 3.27Å; R11-R15 VanDerWaalsContact O-N 3.17Å |
| 12 | R | 96.1 | Very high | 85.8 | Confident | 104 Ų | 104 | 80.2 Ų | 80.2 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 175.7 | -75.7 | 179 | 63.3 | -172.1 | -2.5 | 111 | G8 L9 W14 R15 S16 L77 E81 | G8-R12 PolarHBondContact O-N 2.99Å; L9-R12 PolarHBondContact O-N 3.09Å; L9-R12 VanDerWaalsContact O-N 3.16Å; R12-W14 VanDerWaalsContact C-N 3.35Å; R12-W14 PolarHBondContact O-N 2.82Å; R12-R15 WeakPolarHBondContact O-CB 3.48Å; R12-R15 PolarHBondContact O-N 3.24Å; R12-R15 VanDerWaalsContact O-N 3.09Å; R12-S16 PolarHBondContact O-N 2.88Å; R12-S16 VanDerWaalsContact O-N 3.12Å; R12-S16 PolarHBondContact O-OG 3.01Å; R12-L77 HydrophobicContact CB-CD1 3.79Å; R12-L77 HydrophobicContact CB-CD2 4.08Å; R12-E81 IonicContact CZ-OE1 3.87Å; R12-E81 IonicContact CZ-OE2 3.63Å; R12-E81 IonicContact NE-OE1 3.44Å; R12-E81 PolarHBondContact NE-OE1 3.16Å; R12-E81 IonicContact NH2-OE1 2.75Å; R12-E81 PolarHBondContact NH2-OE1 3.32Å; R12-E81 IonicContact NH2-OE2 3.03Å; R12-E81 PolarHBondContact NH2-OE2 2.94Å |
| 13 | L | 96.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -52.3 | -52.1 | 174.3 | -79.7 | 168.5 | 0 | 0 | 0 | 111.4 | L9 R15 S16 R17 L65 L73 L76 L77 V80 F116 | L9-L13 PolarHBondContact O-N 2.97Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 3.34Å; L13-S16 CarbonylContact O-C 3.45Å; L13-S16 WeakPolarHBondContact O-CA 3.22Å; L13-S16 PolarHBondContact O-N 3.27Å; L13-R17 PolarHBondContact O-N 2.96Å; L13-L65 HydrophobicContact CB-CD1 4.06Å; L13-L65 HydrophobicContact CD1-CD1 4.11Å; L13-L65 HydrophobicContact CD1-CD2 3.99Å; L13-L73 HydrophobicContact CD1-CD2 3.73Å; L13-L76 HydrophobicContact CD1-CD2 4.09Å; L13-L76 HydrophobicContact CD1-CG 4.44Å; L13-L76 HydrophobicContact CD2-CB 4.38Å; L13-L76 HydrophobicContact CD2-CD2 4.13Å; L13-L76 HydrophobicContact CD2-CG 3.77Å; L13-L77 HydrophobicContact CD2-CB 3.91Å; L13-L77 HydrophobicContact CD2-CD1 3.85Å; L13-L77 HydrophobicContact CG-CB 4.16Å; L13-L77 HydrophobicContact CG-CD1 3.88Å; L13-V80 HydrophobicContact CD2-CG2 4.42Å; L13-F116 HydrophobicContact CB-CE1 4.3Å; L13-F116 HydrophobicContact CB-CZ 4.18Å; L13-F116 HydrophobicContact CD2-CE1 4.31Å; L13-F116 HydrophobicContact CD2-CZ 4.13Å; L13-F116 WeakPolarHBondContact O-CE1 3.49Å |
| 14 | W | 94.4 | Very high | 83.5 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.5 | -34.5 | 179.7 | -174.2 | -97.6 | 0 | 0 | 0 | 113.8 | V10 R12 S16 R17 K58 T61 H62 V115 | V10-W14 PolarHBondContact O-N 3.17Å; R12-W14 VanDerWaalsContact C-N 3.35Å; R12-W14 PolarHBondContact O-N 2.82Å; W14-S16 VanDerWaalsContact C-N 3.26Å; W14-S16 PolarHBondContact O-N 3.42Å; W14-R17 WeakPolarHBondContact O-CB 3.49Å; W14-R17 WeakPolarHBondContact O-CD 3.4Å; W14-R17 VanDerWaalsContact O-CG 3.3Å; W14-R17 WeakPolarHBondContact O-CG 3.24Å; W14-R17 PolarHBondContact O-N 3.45Å; W14-R17 PolarHBondContact O-NH1 3.02Å; W14-K58 HydrophobicContact CD2-CG 4.16Å; W14-K58 HydrophobicContact CE3-CG 4.34Å; W14-K58 HydrophobicContact CH2-CB 3.37Å; W14-K58 HydrophobicContact CH2-CD 4.31Å; W14-K58 HydrophobicContact CH2-CG 3.62Å; W14-K58 HydrophobicContact CZ2-CB 3.52Å; W14-K58 HydrophobicContact CZ2-CD 3.59Å; W14-K58 HydrophobicContact CZ2-CG 3.38Å; W14-K58 HydrophobicContact CZ3-CB 4.07Å; W14-K58 HydrophobicContact CZ3-CG 4.09Å; W14-T61 HydrophobicContact CE3-CG2 4.05Å; W14-T61 HydrophobicContact CZ3-CG2 3.93Å; W14-H62 AromaticContact CD2-NE2 3.75Å; W14-H62 AromaticContact CE3-CD2 3.98Å; W14-H62 AromaticContact CG-NE2 3.64Å; W14-V115 HydrophobicContact CZ3-CG1 4.26Å |
| 15 | R | 94.3 | Very high | 80.9 | Confident | 173 Ų | 173 | 73.9 Ų | 73.9 | 65% | 0.653 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.8 | -24.7 | 174.4 | -73.3 | -171.4 | -65 | -173.1 | 5.5 | 112.9 | R11 R12 L13 R17 | R11-R15 WeakPolarHBondContact O-CG 3.41Å; R11-R15 PolarHBondContact O-N 3.27Å; R11-R15 VanDerWaalsContact O-N 3.17Å; R12-R15 WeakPolarHBondContact O-CB 3.48Å; R12-R15 PolarHBondContact O-N 3.24Å; R12-R15 VanDerWaalsContact O-N 3.09Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 3.34Å; R15-R17 VanDerWaalsContact C-N 3.33Å |
| 16 | S | 95 | Very high | 78.4 | Confident | 38 Ų | 38 | 73 Ų | 73 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 13 | 177.3 | -50.4 | 0 | 0 | 0 | 0 | 113.5 | R12 L13 W14 V80 | R12-S16 PolarHBondContact O-N 2.88Å; R12-S16 VanDerWaalsContact O-N 3.12Å; R12-S16 PolarHBondContact O-OG 3.01Å; L13-S16 CarbonylContact O-C 3.45Å; L13-S16 WeakPolarHBondContact O-CA 3.22Å; L13-S16 PolarHBondContact O-N 3.27Å; W14-S16 VanDerWaalsContact C-N 3.26Å; W14-S16 PolarHBondContact O-N 3.42Å; S16-V80 WeakPolarHBondContact O-CG1 3.47Å |
| 17 | R | 94.6 | Very high | 75.4 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -61.8 | 154.2 | 173.6 | 76.9 | -173.5 | -171.1 | -67.4 | -6.5 | 111.2 | L13 W14 R15 D23 V115 | L13-R17 PolarHBondContact O-N 2.96Å; W14-R17 WeakPolarHBondContact O-CB 3.49Å; W14-R17 WeakPolarHBondContact O-CD 3.4Å; W14-R17 VanDerWaalsContact O-CG 3.3Å; W14-R17 WeakPolarHBondContact O-CG 3.24Å; W14-R17 PolarHBondContact O-N 3.45Å; W14-R17 PolarHBondContact O-NH1 3.02Å; R15-R17 VanDerWaalsContact C-N 3.33Å; R17-D23 IonicContact NH2-OD2 3.24Å; R17-D23 PolarHBondContact NH2-OD2 3.3Å; R17-V115 CarbonylContact C-O 3.53Å; R17-V115 WeakPolarHBondContact CA-O 3.46Å; R17-V115 HydrophobicContact CB-CG1 3.92Å; R17-V115 WeakPolarHBondContact CB-O 3.47Å |
| 18 | A | 91.7 | Very high | 72.5 | Confident | 11 Ų | 11 | 85.6 Ų | 85.6 | 9% | 0.091 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -64 | 140.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V115 P119 | A18-V115 PolarHBondContact N-O 3.11Å; A18-P119 HydrophobicContact CB-CG 3.8Å |
| 19 | P | 84.5 | Confident | 69.3 | Low | 107 Ų | 107 | 87.8 Ų | 87.8 | 70% | 0.695 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 137.8 | 178.3 | 27.7 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 20 | V | 75.1 | Confident | 66 | Low | 50 Ų | 50 | 94.2 Ų | 94.2 | 30% | 0.303 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 142.4 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | G22 D23 P119 | V20-G22 PolarHBondContact O-N 2.97Å; V20-D23 PolarHBondContact O-N 2.9Å; V20-P119 HydrophobicContact CG2-CB 4.4Å; V20-P119 HydrophobicContact CG2-CG 4.48Å |
| 21 | E | 55.6 | Low | 62.9 | Low | 172 Ų | 172 | 103.5 Ų | 103.5 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 112.2 | 177.3 | -69.8 | -158.2 | 157.6 | 0 | 0 | 110.5 | ||
| 22 | G | 48.8 | Very low | 59.7 | Low | 70 Ų | 70 | 102.9 Ų | 102.9 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.2 | -9.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V20 G24 | V20-G22 PolarHBondContact O-N 2.97Å; G22-G24 PolarHBondContact O-N 3.42Å |
| 23 | D | 41.7 | Very low | 56.9 | Low | 84 Ų | 84 | 104.3 Ų | 104.3 | 45% | 0.449 | 61% | 0.611 | S | S | . | * | trans | -74.2 | 46.5 | 174.2 | -90 | -2.4 | 0 | 0 | 0 | 112.6 | R17 V20 E25 | R17-D23 IonicContact NH2-OD2 3.24Å; R17-D23 PolarHBondContact NH2-OD2 3.3Å; V20-D23 PolarHBondContact O-N 2.9Å; D23-E25 VanDerWaalsContact C-N 3.27Å; D23-E25 PolarHBondContact O-N 3.25Å | ||
| 24 | G | 36.2 | Very low | 53.8 | Low | 77 Ų | 77 | 109.5 Ų | 109.5 | 79% | 0.794 | 65% | 0.647 | S | S | * | * | trans | -77.5 | 76.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G22 A26 | G22-G24 PolarHBondContact O-N 3.42Å; G24-A26 PolarHBondContact O-N 3.44Å | ||
| 25 | E | 33.9 | Very low | 50.7 | Low | 189 Ų | 189 | 111.9 Ų | 111.9 | 88% | 0.883 | 68% | 0.68 | S | S | * | * | trans | -72.8 | 112.7 | 169.4 | -152.7 | 170.1 | -161.9 | 0 | 0 | 108.3 | D23 D27 | D23-E25 VanDerWaalsContact C-N 3.27Å; D23-E25 PolarHBondContact O-N 3.25Å; E25-D27 PolarHBondContact O-N 2.88Å | ||
| 26 | A | 39.3 | Very low | 47.6 | Very low | 101 Ų | 101 | 107.1 Ų | 107.1 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | trans | -66.8 | 113 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G24 | G24-A26 PolarHBondContact O-N 3.44Š| ||
| 27 | D | 30.6 | Very low | 44.6 | Very low | 158 Ų | 158 | 108.4 Ų | 108.4 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | trans | -121.1 | 131 | 165 | -155.1 | 8.2 | 0 | 0 | 0 | 111.9 | E25 G29 | E25-D27 PolarHBondContact O-N 2.88Å; D27-G29 PolarHBondContact O-N 3.46Å | ||
| 28 | R | 32.4 | Very low | 41.6 | Very low | 241 Ų | 241 | 111.1 Ų | 111.1 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -77.9 | 111.9 | 179.3 | -88.5 | 176.5 | 160.7 | -168.3 | -4 | 108.4 | ||||
| 29 | G | 27.5 | Very low | 39.1 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 55.2 | 101.7 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | D27 | D27-G29 PolarHBondContact O-N 3.46Š| ||
| 30 | T | 28.6 | Very low | 36.6 | Very low | 150 Ų | 150 | 115.2 Ų | 115.2 | 92% | 0.92 | 75% | 0.748 | S | S | * | * | -156.1 | 137.6 | 121.8 | -23.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 31 | H | 30.6 | Very low | 34.6 | Very low | 203 Ų | 203 | 123.1 Ų | 123.1 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | trans | -57.5 | 133.5 | -176.5 | -83.4 | -82.7 | 0 | 0 | 0 | 113.8 | ||||
| 32 | G | 25.9 | Very low | 33.4 | Very low | 70 Ų | 70 | 119.3 Ų | 119.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 173.2 | 108.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S34 | G32-S34 PolarHBondContact O-N 3.03Š| ||
| 33 | S | 38.5 | Very low | 32.5 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -55.2 | 117.6 | -173 | -170.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 34 | S | 31 | Very low | 32.1 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -154.1 | 107.5 | 154 | 66 | 0 | 0 | 0 | 0 | 109.7 | G32 G36 | G32-S34 PolarHBondContact O-N 3.03Å; S34-G36 PolarHBondContact O-N 3.41Å; S34-G36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | G | 29.4 | Very low | 32 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -65.5 | 106.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | C37 | G35-C37 PolarHBondContact O-N 2.95Š| ||
| 36 | G | 28.8 | Very low | 32.1 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -64.6 | 125.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S34 C38 | S34-G36 PolarHBondContact O-N 3.41Å; S34-G36 VanDerWaalsContact O-N 3.12Å; G36-C38 PolarHBondContact O-N 3.3Å; G36-C38 VanDerWaalsContact O-N 3.14Å | ||
| 37 | C | 32.6 | Very low | 32.4 | Very low | 65 Ų | 65 | 129.5 Ų | 129.5 | 44% | 0.439 | 80% | 0.799 | S | S | . | * | trans | -73.3 | 102.7 | 172.9 | -71.8 | 0 | 0 | 0 | 0 | 109.1 | G35 M39 | G35-C37 PolarHBondContact O-N 2.95Å; C37-M39 PolarHBondContact O-N 3.47Å | ||
| 38 | C | 31.6 | Very low | 32.8 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -71.3 | 109.3 | 171.8 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | G36 | G36-C38 PolarHBondContact O-N 3.3Å; G36-C38 VanDerWaalsContact O-N 3.14Å | ||
| 39 | M | 38.3 | Very low | 33.4 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 142.6 | 166 | -67.3 | -67 | -79.6 | 0 | 0 | 109.3 | C37 | C37-M39 PolarHBondContact O-N 3.47Š|
| 40 | G | 32.6 | Very low | 34.7 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 152 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 41 | K | 33.3 | Very low | 36.1 | Very low | 216 Ų | 216 | 121.2 Ų | 121.2 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 136.2 | 171.7 | -72.1 | 177.4 | 172.4 | 177.1 | 0 | 111.2 | ||
| 42 | A | 29.8 | Very low | 37.4 | Very low | 93 Ų | 93 | 113.6 Ų | 113.6 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -167.9 | 146.3 | 138 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 43 | A | 29.9 | Very low | 39.8 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | trans | 70.6 | 106.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | V45 | A43-V45 PolarHBondContact O-N 3.44Š| ||
| 44 | K | 32.6 | Very low | 41.8 | Very low | 219 Ų | 219 | 109.5 Ų | 109.5 | 95% | 0.952 | 70% | 0.7 | S | S | * | * | trans | -65.3 | 113.2 | 166 | -87 | -177.8 | 173.5 | 178.2 | 0 | 110 | ||||
| 45 | V | 35.9 | Very low | 44.4 | Very low | 132 Ų | 132 | 107.1 Ų | 107.1 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | trans | -108.8 | 140.2 | 161.8 | 180 | 0 | 0 | 0 | 0 | 108.6 | A43 K47 | A43-V45 PolarHBondContact O-N 3.44Å; V45-K47 PolarHBondContact O-N 3.34Å | ||
| 46 | A | 34.6 | Very low | 47.1 | Very low | 94 Ų | 94 | 108 Ų | 108 | 78% | 0.777 | 67% | 0.671 | S | S | * | * | trans | -60.6 | 128.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S48 | A46-S48 PolarHBondContact O-N 2.96Š| ||
| 47 | K | 45.6 | Very low | 49.9 | Very low | 198 Ų | 198 | 106.5 Ų | 106.5 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | -77.5 | 106.9 | 171.1 | -81.2 | -178 | 169.9 | -175.5 | 0 | 110.1 | V45 | V45-K47 PolarHBondContact O-N 3.34Š| ||
| 48 | S | 39.4 | Very low | 52.7 | Low | 107 Ų | 107 | 108 Ų | 108 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -157 | 12.3 | 158.9 | 63.3 | 0 | 0 | 0 | 0 | 117.2 | A46 | A46-S48 PolarHBondContact O-N 2.96Š|
| 49 | N | 44.2 | Very low | 55.5 | Low | 152 Ų | 152 | 105 Ų | 105 | 81% | 0.813 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -140.7 | 7.3 | 177.9 | -108.2 | -0.1 | 0 | 0 | 0 | 116 | ||
| 50 | D | 55.9 | Low | 58 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -91.4 | -24.6 | -158.7 | -160 | 36.5 | 0 | 0 | 0 | 115.3 | G52 S53 E54 | D50-G52 PolarHBondContact O-N 3.22Å; D50-S53 PolarHBondContact O-OG 3.07Å; D50-E54 PolarHBondContact O-N 3.5Å |
| 51 | A | 57 | Low | 60.8 | Low | 83 Ų | 83 | 96.5 Ų | 96.5 | 69% | 0.686 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73 | -30.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A55 | A51-A55 PolarHBondContact O-N 3.36Å |
| 52 | G | 59.5 | Low | 63.7 | Low | 42 Ų | 42 | 88.6 Ų | 88.6 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | D50 E54 A55 E56 | D50-G52 PolarHBondContact O-N 3.22Å; G52-E54 PolarHBondContact O-N 3.47Å; G52-A55 PolarHBondContact O-N 2.79Å; G52-E56 WeakPolarHBondContact O-CG 3.43Å; G52-E56 PolarHBondContact O-N 3.4Å; G52-E56 VanDerWaalsContact O-N 3.17Å |
| 53 | S | 75.8 | Confident | 66.6 | Low | 52 Ų | 52 | 86.7 Ų | 86.7 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 178.2 | 44 | 0 | 0 | 0 | 0 | 112.5 | D50 L57 | D50-S53 PolarHBondContact O-OG 3.07Å; S53-L57 WeakPolarHBondContact O-CB 3.36Å; S53-L57 PolarHBondContact O-N 3.5Å |
| 54 | E | 81.2 | Confident | 69.6 | Low | 65 Ų | 65 | 82.9 Ų | 82.9 | 30% | 0.304 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -43.1 | 178.4 | -164.6 | -169.2 | 169.5 | 0 | 0 | 112.4 | D50 G52 E56 L57 K58 | D50-E54 PolarHBondContact O-N 3.5Å; G52-E54 PolarHBondContact O-N 3.47Å; E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.5Å; E54-L57 PolarHBondContact O-N 2.84Å; E54-K58 WeakPolarHBondContact O-CB 3.43Å; E54-K58 PolarHBondContact O-N 3.41Å |
| 55 | A | 84.9 | Confident | 72.5 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 50% | 0.504 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A51 G52 K58 A59 | A51-A55 PolarHBondContact O-N 3.36Å; G52-A55 PolarHBondContact O-N 2.79Å; A55-K58 WeakPolarHBondContact O-CB 3.49Å; A55-K58 PolarHBondContact O-N 3.06Å; A55-A59 WeakPolarHBondContact O-CB 3.31Å; A55-A59 PolarHBondContact O-N 2.95Å |
| 56 | E | 86.2 | Confident | 75.1 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 44% | 0.439 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 174.9 | -67.9 | 179.6 | -168.6 | 0 | 0 | 112.1 | G52 E54 K58 A59 L60 V101 G102 | G52-E56 WeakPolarHBondContact O-CG 3.43Å; G52-E56 PolarHBondContact O-N 3.4Å; G52-E56 VanDerWaalsContact O-N 3.17Å; E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.5Å; E56-K58 VanDerWaalsContact C-N 3.28Å; E56-K58 PolarHBondContact O-N 3.24Å; E56-A59 PolarHBondContact O-N 3.04Å; E56-L60 WeakPolarHBondContact O-CB 3.5Å; E56-L60 PolarHBondContact O-N 2.79Å; E56-V101 HydrophobicContact CB-CG1 3.64Å; E56-V101 WeakPolarHBondContact OE2-CG1 3.44Å; E56-G102 PolarHBondContact OE2-N 3.45Å; E56-G102 VanDerWaalsContact OE2-N 3.15Å |
| 57 | L | 87.4 | Confident | 77.8 | Confident | 42 Ų | 42 | 76 Ų | 76 | 22% | 0.22 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 175.3 | -176.9 | 66.5 | 0 | 0 | 0 | 111.3 | S53 E54 T61 V101 Y106 L111 V115 | S53-L57 WeakPolarHBondContact O-CB 3.36Å; S53-L57 PolarHBondContact O-N 3.5Å; E54-L57 PolarHBondContact O-N 2.84Å; L57-T61 VanDerWaalsContact O-CB 3.31Å; L57-T61 WeakPolarHBondContact O-CB 3.44Å; L57-T61 PolarHBondContact O-N 3.04Å; L57-T61 PolarHBondContact O-OG1 3.02Å; L57-V101 HydrophobicContact CD1-CG2 4.45Å; L57-Y106 HydrophobicContact CD1-CE2 4.38Å; L57-L111 HydrophobicContact CD1-CD1 3.48Å; L57-L111 VanDerWaalsContact CD1-CD1 3.48Å; L57-V115 HydrophobicContact CD1-CG2 4.4Å; L57-V115 HydrophobicContact CD2-CG2 4.49Å; L57-V115 HydrophobicContact CG-CG2 4.39Å |
| 58 | K | 90.4 | Very high | 80 | Confident | 95 Ų | 95 | 67 Ų | 67 | 41% | 0.413 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 173.6 | -179.4 | 175 | -175.9 | -179.6 | 0 | 111.9 | W14 E54 A55 E56 L60 T61 H62 | W14-K58 HydrophobicContact CD2-CG 4.16Å; W14-K58 HydrophobicContact CE3-CG 4.34Å; W14-K58 HydrophobicContact CH2-CB 3.37Å; W14-K58 HydrophobicContact CH2-CD 4.31Å; W14-K58 HydrophobicContact CH2-CG 3.62Å; W14-K58 HydrophobicContact CZ2-CB 3.52Å; W14-K58 HydrophobicContact CZ2-CD 3.59Å; W14-K58 HydrophobicContact CZ2-CG 3.38Å; W14-K58 HydrophobicContact CZ3-CB 4.07Å; W14-K58 HydrophobicContact CZ3-CG 4.09Å; E54-K58 WeakPolarHBondContact O-CB 3.43Å; E54-K58 PolarHBondContact O-N 3.41Å; A55-K58 WeakPolarHBondContact O-CB 3.49Å; A55-K58 PolarHBondContact O-N 3.06Å; E56-K58 VanDerWaalsContact C-N 3.28Å; E56-K58 PolarHBondContact O-N 3.24Å; K58-L60 VanDerWaalsContact C-N 3.31Å; K58-L60 PolarHBondContact O-N 2.87Å; K58-T61 PolarHBondContact O-N 3.39Å; K58-H62 WeakPolarHBondContact O-CB 3.41Å; K58-H62 PolarHBondContact O-CD2 3.06Å; K58-H62 PolarHBondContact O-N 3.47Å |
| 59 | A | 91.2 | Very high | 82.6 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A55 E56 H62 S63 | A55-A59 WeakPolarHBondContact O-CB 3.31Å; A55-A59 PolarHBondContact O-N 2.95Å; E56-A59 PolarHBondContact O-N 3.04Å; A59-H62 PolarHBondContact O-N 2.96Å; A59-S63 WeakPolarHBondContact O-CB 3.42Å; A59-S63 PolarHBondContact O-N 2.94Å |
| 60 | L | 90.7 | Very high | 85.1 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 13% | 0.131 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 177.4 | -174.6 | 65.6 | 0 | 0 | 0 | 111.8 | E56 K58 H62 S63 V64 A99 V101 Y106 L111 | E56-L60 WeakPolarHBondContact O-CB 3.5Å; E56-L60 PolarHBondContact O-N 2.79Å; K58-L60 VanDerWaalsContact C-N 3.31Å; K58-L60 PolarHBondContact O-N 2.87Å; L60-H62 VanDerWaalsContact C-N 3.31Å; L60-H62 PolarHBondContact O-N 3.31Å; L60-S63 WeakPolarHBondContact O-CB 3.35Å; L60-S63 PolarHBondContact O-N 3.33Å; L60-S63 VanDerWaalsContact O-N 3.11Å; L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.12Å; L60-A99 HydrophobicContact CD1-CB 3.75Å; L60-A99 HydrophobicContact CD2-CB 3.62Å; L60-A99 HydrophobicContact CG-CB 3.89Å; L60-V101 HydrophobicContact CB-CG2 3.96Å; L60-V101 HydrophobicContact CD2-CG2 3.27Å; L60-V101 HydrophobicContact CG-CG2 4.23Å; L60-Y106 HydrophobicContact CD2-CD2 4.18Å; L60-L111 HydrophobicContact CD2-CD1 4.18Å; L60-L111 HydrophobicContact CD2-CD2 4.09Å; L60-L111 HydrophobicContact CG-CD2 4.07Å |
| 61 | T | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | W14 L57 K58 S63 V64 L65 V115 | W14-T61 HydrophobicContact CE3-CG2 4.05Å; W14-T61 HydrophobicContact CZ3-CG2 3.93Å; L57-T61 VanDerWaalsContact O-CB 3.31Å; L57-T61 WeakPolarHBondContact O-CB 3.44Å; L57-T61 PolarHBondContact O-N 3.04Å; L57-T61 PolarHBondContact O-OG1 3.02Å; K58-T61 PolarHBondContact O-N 3.39Å; T61-S63 VanDerWaalsContact C-N 3.34Å; T61-S63 PolarHBondContact O-N 3.21Å; T61-V64 PolarHBondContact O-N 3.09Å; T61-L65 HydrophobicContact CG2-CD1 4Å; T61-L65 HydrophobicContact CG2-CG 4.21Å; T61-L65 WeakPolarHBondContact O-CB 3.24Å; T61-L65 VanDerWaalsContact O-CG 3.28Å; T61-L65 WeakPolarHBondContact O-CG 3.3Å; T61-L65 PolarHBondContact O-N 3.38Å; T61-V115 HydrophobicContact CG2-CG1 4.14Å; T61-V115 HydrophobicContact CG2-CG2 4.22Å; T61-V115 WeakPolarHBondContact OG1-CG2 3.23Å |
| 62 | H | 93.4 | Very high | 88.8 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 176.6 | -87.8 | -106.4 | 0 | 0 | 0 | 112.6 | W14 K58 A59 L60 K66 | W14-H62 AromaticContact CD2-NE2 3.75Å; W14-H62 AromaticContact CE3-CD2 3.98Å; W14-H62 AromaticContact CG-NE2 3.64Å; K58-H62 WeakPolarHBondContact O-CB 3.41Å; K58-H62 PolarHBondContact O-CD2 3.06Å; K58-H62 PolarHBondContact O-N 3.47Å; A59-H62 PolarHBondContact O-N 2.96Å; L60-H62 VanDerWaalsContact C-N 3.31Å; L60-H62 PolarHBondContact O-N 3.31Å; H62-K66 WeakPolarHBondContact O-CB 3.35Å; H62-K66 WeakPolarHBondContact O-CG 3.42Å; H62-K66 PolarHBondContact O-N 3.17Å |
| 63 | S | 91.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 64.3 Ų | 64.3 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 175.5 | -176 | 0 | 0 | 0 | 0 | 111.5 | A59 L60 T61 K66 K67 | A59-S63 WeakPolarHBondContact O-CB 3.42Å; A59-S63 PolarHBondContact O-N 2.94Å; L60-S63 WeakPolarHBondContact O-CB 3.35Å; L60-S63 PolarHBondContact O-N 3.33Å; L60-S63 VanDerWaalsContact O-N 3.11Å; T61-S63 VanDerWaalsContact C-N 3.34Å; T61-S63 PolarHBondContact O-N 3.21Å; S63-K66 PolarHBondContact O-N 3.33Å; S63-K67 WeakPolarHBondContact O-CG 3.5Å |
| 64 | V | 91.7 | Very high | 91.6 | Very high | 11 Ų | 11 | 65.1 Ų | 65.1 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -52.2 | 176.4 | 165.3 | 0 | 0 | 0 | 0 | 111.3 | L60 T61 K66 K67 I68 A99 L108 L111 | L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.12Å; T61-V64 PolarHBondContact O-N 3.09Å; V64-K66 PolarHBondContact O-N 2.85Å; V64-K67 WeakPolarHBondContact O-CB 3.09Å; V64-K67 PolarHBondContact O-N 3.19Å; V64-I68 HydrophobicContact CG1-CD1 4.42Å; V64-I68 PolarHBondContact O-N 2.76Å; V64-A99 HydrophobicContact CG2-CB 4.11Å; V64-L108 HydrophobicContact CB-CD1 4.47Å; V64-L108 HydrophobicContact CG1-CD1 3.21Å; V64-L108 HydrophobicContact CG2-CD1 4.47Å; V64-L111 HydrophobicContact CB-CD2 4.22Å; V64-L111 HydrophobicContact CG1-CD2 4.47Å; V64-L111 HydrophobicContact CG2-CD2 3.76Å |
| 65 | L | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -33.2 | -178.5 | -67.4 | -179.7 | 0 | 0 | 0 | 112.2 | V10 L13 T61 K67 I68 L73 L76 L112 | V10-L65 HydrophobicContact CG1-CB 4.17Å; V10-L65 HydrophobicContact CG1-CD1 4.1Å; V10-L65 HydrophobicContact CG2-CB 4.06Å; L13-L65 HydrophobicContact CB-CD1 4.06Å; L13-L65 HydrophobicContact CD1-CD1 4.11Å; L13-L65 HydrophobicContact CD1-CD2 3.99Å; T61-L65 HydrophobicContact CG2-CD1 4Å; T61-L65 HydrophobicContact CG2-CG 4.21Å; T61-L65 WeakPolarHBondContact O-CB 3.24Å; T61-L65 VanDerWaalsContact O-CG 3.28Å; T61-L65 WeakPolarHBondContact O-CG 3.3Å; T61-L65 PolarHBondContact O-N 3.38Å; L65-K67 PolarHBondContact O-N 3.02Å; L65-I68 HydrophobicContact CD2-CD1 4.09Å; L65-I68 PolarHBondContact O-N 3.35Å; L65-L73 HydrophobicContact CB-CD2 4.21Å; L65-L73 HydrophobicContact CD2-CD2 3.98Å; L65-L76 HydrophobicContact CD2-CD2 3.78Å; L65-L112 HydrophobicContact CD2-CD2 4.27Å |
| 66 | K | 91.3 | Very high | 92.9 | Very high | 139 Ų | 139 | 60.9 Ų | 60.9 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.5 | -25.5 | 175.6 | -77.6 | 173.6 | -178.6 | -179.5 | 0 | 113.5 | H62 S63 V64 | H62-K66 WeakPolarHBondContact O-CB 3.35Å; H62-K66 WeakPolarHBondContact O-CG 3.42Å; H62-K66 PolarHBondContact O-N 3.17Å; S63-K66 PolarHBondContact O-N 3.33Å; V64-K66 PolarHBondContact O-N 2.85Å |
| 67 | K | 90 | Very high | 93.4 | Very high | 162 Ų | 162 | 56.7 Ų | 56.7 | 70% | 0.704 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -85 | -16.5 | 178.6 | -65.7 | 175.7 | -177.6 | -178.3 | 0 | 113.2 | S63 V64 L65 | S63-K67 WeakPolarHBondContact O-CG 3.5Å; V64-K67 WeakPolarHBondContact O-CB 3.09Å; V64-K67 PolarHBondContact O-N 3.19Å; L65-K67 PolarHBondContact O-N 3.02Å |
| 68 | I | 92.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -76.5 | 141.7 | 179 | -61.4 | 175.6 | 0 | 0 | 0 | 110.2 | V64 L65 Q72 L73 L93 | V64-I68 HydrophobicContact CG1-CD1 4.42Å; V64-I68 PolarHBondContact O-N 2.76Å; L65-I68 HydrophobicContact CD2-CD1 4.09Å; L65-I68 PolarHBondContact O-N 3.35Å; I68-Q72 HydrophobicContact CG2-CB 3.43Å; I68-Q72 VanDerWaalsContact CG2-CB 3.43Å; I68-L73 HydrophobicContact CB-CD2 3.89Å; I68-L73 HydrophobicContact CB-CG 4.04Å; I68-L73 HydrophobicContact CD1-CD2 4.43Å; I68-L73 HydrophobicContact CG2-CD2 4.01Å; I68-L73 HydrophobicContact CG2-CG 3.92Å; I68-L93 HydrophobicContact CD1-CD1 3.79Å; I68-L93 HydrophobicContact CG1-CD1 4.21Å; I68-L93 HydrophobicContact CG1-CD2 4.47Å; I68-L93 HydrophobicContact CG2-CD2 4.32Å |
| 69 | K | 94.2 | Very high | 94.1 | Very high | 152 Ų | 152 | 55 Ų | 55 | 66% | 0.661 | 27% | 0.268 | S | S | * | . | trans | -62.8 | 148.3 | 177.4 | -63.4 | 179.8 | 179.5 | 177.4 | 0 | 110.5 | K71 Q72 L73 | K69-K71 PolarHBondContact O-N 3.46Å; K69-Q72 HydrophobicContact CB-CB 4.39Å; K69-Q72 HydrophobicContact CB-CG 4.36Å; K69-Q72 WeakPolarHBondContact O-CA 3.43Å; K69-Q72 WeakPolarHBondContact O-CB 3.43Å; K69-Q72 PolarHBondContact O-N 3.42Å; K69-L73 PolarHBondContact O-N 3.32Å | ||
| 70 | E | 95.6 | Very high | 94.3 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.2 | -44.4 | -173.9 | -167.1 | 172.4 | 112.6 | 0 | 0 | 113.2 | K5 L9 Q72 L73 E74 | K5-E70 WeakPolarHBondContact CD-OE1 3.4Å; K5-E70 VanDerWaalsContact CE-OE1 3.23Å; K5-E70 WeakPolarHBondContact CE-OE1 3.45Å; K5-E70 WeakPolarHBondContact CG-OE1 3.47Å; K5-E70 IonicContact NZ-OE1 2.78Å; K5-E70 PolarHBondContact NZ-OE1 3.18Å; L9-E70 HydrophobicContact CD1-CG 3.74Å; E70-Q72 VanDerWaalsContact C-N 3.26Å; E70-Q72 PolarHBondContact O-N 3.38Å; E70-L73 WeakPolarHBondContact O-CB 3.22Å; E70-L73 PolarHBondContact O-N 3.1Å; E70-L73 VanDerWaalsContact O-N 3.09Å; E70-E74 PolarHBondContact O-N 3.37Å |
| 71 | K | 95.8 | Very high | 94.5 | Very high | 170 Ų | 170 | 54.9 Ų | 54.9 | 74% | 0.739 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.4 | -37.2 | 174.4 | -66.4 | -172.5 | 176 | -174.6 | 0 | 112.8 | K69 E74 V75 | K69-K71 PolarHBondContact O-N 3.46Å; K71-E74 PolarHBondContact O-N 2.96Å; K71-V75 WeakPolarHBondContact O-CG2 3.48Å; K71-V75 PolarHBondContact O-N 3Å; K71-V75 VanDerWaalsContact O-N 3.14Å |
| 72 | Q | 96.2 | Very high | 94.4 | Very high | 51 Ų | 51 | 55.9 Ų | 55.9 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.6 | -32.6 | 177.7 | -74.2 | 178.9 | -45.2 | 0 | 0 | 111.9 | I68 K69 E70 V75 L76 L91 L92 | I68-Q72 HydrophobicContact CG2-CB 3.43Å; I68-Q72 VanDerWaalsContact CG2-CB 3.43Å; K69-Q72 HydrophobicContact CB-CB 4.39Å; K69-Q72 HydrophobicContact CB-CG 4.36Å; K69-Q72 WeakPolarHBondContact O-CA 3.43Å; K69-Q72 WeakPolarHBondContact O-CB 3.43Å; K69-Q72 PolarHBondContact O-N 3.42Å; E70-Q72 VanDerWaalsContact C-N 3.26Å; E70-Q72 PolarHBondContact O-N 3.38Å; Q72-V75 PolarHBondContact O-N 2.9Å; Q72-L76 WeakPolarHBondContact O-CB 3.46Å; Q72-L76 PolarHBondContact O-N 3.39Å; Q72-L91 HydrophobicContact CB-CD1 3.71Å; Q72-L91 HydrophobicContact CG-CD1 4.09Å; Q72-L92 PolarHBondContact NE2-O 3.06Å |
| 73 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 171.7 | -71.9 | 172.9 | 0 | 0 | 0 | 112 | R6 L9 V10 L13 L65 I68 K69 E70 L76 L77 | R6-L73 HydrophobicContact CG-CD1 4.07Å; L9-L73 HydrophobicContact CB-CB 4.34Å; L9-L73 HydrophobicContact CD1-CB 3.95Å; V10-L73 HydrophobicContact CG2-CD1 4.31Å; L13-L73 HydrophobicContact CD1-CD2 3.73Å; L65-L73 HydrophobicContact CB-CD2 4.21Å; L65-L73 HydrophobicContact CD2-CD2 3.98Å; I68-L73 HydrophobicContact CB-CD2 3.89Å; I68-L73 HydrophobicContact CB-CG 4.04Å; I68-L73 HydrophobicContact CD1-CD2 4.43Å; I68-L73 HydrophobicContact CG2-CD2 4.01Å; I68-L73 HydrophobicContact CG2-CG 3.92Å; K69-L73 PolarHBondContact O-N 3.32Å; E70-L73 WeakPolarHBondContact O-CB 3.22Å; E70-L73 PolarHBondContact O-N 3.1Å; E70-L73 VanDerWaalsContact O-N 3.09Å; L73-L76 PolarHBondContact O-N 2.87Å; L73-L77 VanDerWaalsContact O-CB 3.24Å; L73-L77 WeakPolarHBondContact O-CB 3.48Å; L73-L77 PolarHBondContact O-N 3.42Å |
| 74 | E | 96.8 | Very high | 93.9 | Very high | 70 Ų | 70 | 59.1 Ų | 59.1 | 33% | 0.327 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 174.4 | -68.7 | 170.1 | 166.1 | 0 | 0 | 111.3 | K5 L9 E70 K71 L77 Q78 | K5-E74 WeakPolarHBondContact CE-OE1 3.44Å; K5-E74 IonicContact NZ-OE1 2.63Å; K5-E74 PolarHBondContact NZ-OE1 2.69Å; L9-E74 HydrophobicContact CD1-CG 3.79Å; L9-E74 HydrophobicContact CD2-CG 4.09Å; E70-E74 PolarHBondContact O-N 3.37Å; K71-E74 PolarHBondContact O-N 2.96Å; E74-L77 PolarHBondContact O-N 2.84Å; E74-Q78 WeakPolarHBondContact O-CB 3.37Å; E74-Q78 PolarHBondContact O-N 3.15Å |
| 75 | V | 96.4 | Very high | 93.6 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 21% | 0.212 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 174.5 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | K71 Q72 L77 Q78 A79 P89 | K71-V75 WeakPolarHBondContact O-CG2 3.48Å; K71-V75 PolarHBondContact O-N 3Å; K71-V75 VanDerWaalsContact O-N 3.14Å; Q72-V75 PolarHBondContact O-N 2.9Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 2.75Å; V75-Q78 PolarHBondContact O-N 3.28Å; V75-A79 WeakPolarHBondContact O-CB 3.28Å; V75-A79 PolarHBondContact O-N 2.9Å; V75-P89 HydrophobicContact CG1-CG 3.75Å; V75-P89 HydrophobicContact CG2-CG 4.25Å |
| 76 | L | 97.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 177.2 | 179.8 | 57.3 | 0 | 0 | 0 | 111.2 | L13 L65 Q72 L73 A79 V80 L91 L112 F116 P148 | L13-L76 HydrophobicContact CD1-CD2 4.09Å; L13-L76 HydrophobicContact CD1-CG 4.44Å; L13-L76 HydrophobicContact CD2-CB 4.38Å; L13-L76 HydrophobicContact CD2-CD2 4.13Å; L13-L76 HydrophobicContact CD2-CG 3.77Å; L65-L76 HydrophobicContact CD2-CD2 3.78Å; Q72-L76 WeakPolarHBondContact O-CB 3.46Å; Q72-L76 PolarHBondContact O-N 3.39Å; L73-L76 PolarHBondContact O-N 2.87Å; L76-A79 PolarHBondContact O-N 3.45Å; L76-V80 HydrophobicContact CD1-CG2 3.93Å; L76-V80 HydrophobicContact CG-CG2 4.4Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.49Å; L76-V80 PolarHBondContact O-N 3.27Å; L76-L91 HydrophobicContact CB-CD2 3.88Å; L76-L91 HydrophobicContact CD1-CD2 3.82Å; L76-L91 HydrophobicContact CD2-CD2 4.15Å; L76-L91 HydrophobicContact CG-CD2 4.14Å; L76-L112 HydrophobicContact CD2-CD2 4.34Å; L76-F116 HydrophobicContact CD1-CD2 4.5Å; L76-F116 HydrophobicContact CD1-CE2 4.44Å; L76-F116 HydrophobicContact CD2-CE2 4.11Å; L76-P148 HydrophobicContact CD1-CG 4.23Å |
| 77 | L | 97.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | -179.7 | -178.4 | 63.8 | 0 | 0 | 0 | 111.5 | L9 R12 L13 L73 E74 V75 A79 V80 E81 | L9-L77 HydrophobicContact CD2-CD2 3.56Å; R12-L77 HydrophobicContact CB-CD1 3.79Å; R12-L77 HydrophobicContact CB-CD2 4.08Å; L13-L77 HydrophobicContact CD2-CB 3.91Å; L13-L77 HydrophobicContact CD2-CD1 3.85Å; L13-L77 HydrophobicContact CG-CB 4.16Å; L13-L77 HydrophobicContact CG-CD1 3.88Å; L73-L77 VanDerWaalsContact O-CB 3.24Å; L73-L77 WeakPolarHBondContact O-CB 3.48Å; L73-L77 PolarHBondContact O-N 3.42Å; E74-L77 PolarHBondContact O-N 2.84Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 2.75Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 2.95Å; L77-V80 PolarHBondContact O-N 2.91Å; L77-E81 HydrophobicContact CD1-CG 3.85Å; L77-E81 WeakPolarHBondContact CD1-OE1 3.2Å; L77-E81 HydrophobicContact CG-CG 4.32Å; L77-E81 WeakPolarHBondContact O-CB 3.15Å; L77-E81 WeakPolarHBondContact O-CG 3.14Å; L77-E81 PolarHBondContact O-N 3.42Å |
| 78 | Q | 95.6 | Very high | 93.2 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 174.3 | -176.2 | -174.6 | 4.6 | 0 | 0 | 111.2 | E74 V75 S82 | E74-Q78 WeakPolarHBondContact O-CB 3.37Å; E74-Q78 PolarHBondContact O-N 3.15Å; V75-Q78 PolarHBondContact O-N 3.28Å; Q78-S82 VanDerWaalsContact O-CB 3.24Å; Q78-S82 WeakPolarHBondContact O-CB 3.45Å; Q78-S82 PolarHBondContact O-N 3.42Å; Q78-S82 PolarHBondContact O-OG 3.48Å |
| 79 | A | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -51.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V75 L76 L77 S82 S88 H149 | V75-A79 WeakPolarHBondContact O-CB 3.28Å; V75-A79 PolarHBondContact O-N 2.9Å; L76-A79 PolarHBondContact O-N 3.45Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 2.95Å; A79-S82 PolarHBondContact O-N 3.34Å; A79-S82 PolarHBondContact O-OG 3.39Å; A79-S88 WeakPolarHBondContact CB-OG 3.47Å; A79-H149 PolarHBondContact O-CD2 2.97Å; A79-H149 PolarHBondContact O-NE2 2.86Å |
| 80 | V | 96 | Very high | 93.4 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -45.2 | -177.3 | 175 | 0 | 0 | 0 | 0 | 111.9 | L13 S16 L76 L77 S82 K83 F116 P148 | L13-V80 HydrophobicContact CD2-CG2 4.42Å; S16-V80 WeakPolarHBondContact O-CG1 3.47Å; L76-V80 HydrophobicContact CD1-CG2 3.93Å; L76-V80 HydrophobicContact CG-CG2 4.4Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.49Å; L76-V80 PolarHBondContact O-N 3.27Å; L77-V80 PolarHBondContact O-N 2.91Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.36Å; V80-K83 PolarHBondContact O-N 2.73Å; V80-F116 HydrophobicContact CB-CD1 4.45Å; V80-F116 HydrophobicContact CG1-CB 4.32Å; V80-F116 HydrophobicContact CG1-CD1 3.71Å; V80-F116 HydrophobicContact CG1-CE1 4.4Å; V80-F116 HydrophobicContact CG1-CG 4.22Å; V80-F116 HydrophobicContact CG2-CB 3.93Å; V80-F116 HydrophobicContact CG2-CD1 3.86Å; V80-F116 HydrophobicContact CG2-CD2 4.07Å; V80-F116 HydrophobicContact CG2-CE1 4.43Å; V80-F116 HydrophobicContact CG2-CG 3.67Å; V80-P148 HydrophobicContact CG2-CG 4.46Å |
| 81 | E | 94.1 | Very high | 93.4 | Very high | 81 Ų | 81 | 48 Ų | 48 | 38% | 0.379 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.3 | -30.1 | -179.5 | -72.8 | -179.4 | 160.7 | 0 | 0 | 112.2 | R12 L77 K83 | R12-E81 IonicContact CZ-OE1 3.87Å; R12-E81 IonicContact CZ-OE2 3.63Å; R12-E81 IonicContact NE-OE1 3.44Å; R12-E81 PolarHBondContact NE-OE1 3.16Å; R12-E81 IonicContact NH2-OE1 2.75Å; R12-E81 PolarHBondContact NH2-OE1 3.32Å; R12-E81 IonicContact NH2-OE2 3.03Å; R12-E81 PolarHBondContact NH2-OE2 2.94Å; L77-E81 HydrophobicContact CD1-CG 3.85Å; L77-E81 WeakPolarHBondContact CD1-OE1 3.2Å; L77-E81 HydrophobicContact CG-CG 4.32Å; L77-E81 WeakPolarHBondContact O-CB 3.15Å; L77-E81 WeakPolarHBondContact O-CG 3.14Å; L77-E81 PolarHBondContact O-N 3.42Å; E81-K83 PolarHBondContact O-N 3.11Å |
| 82 | S | 91.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.5 | -20.6 | 175.6 | 77.6 | 0 | 0 | 0 | 0 | 113.5 | Q78 A79 V80 G84 G85 | Q78-S82 VanDerWaalsContact O-CB 3.24Å; Q78-S82 WeakPolarHBondContact O-CB 3.45Å; Q78-S82 PolarHBondContact O-N 3.42Å; Q78-S82 PolarHBondContact O-OG 3.48Å; A79-S82 PolarHBondContact O-N 3.34Å; A79-S82 PolarHBondContact O-OG 3.39Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.36Å; S82-G84 PolarHBondContact O-N 3.06Å; S82-G84 VanDerWaalsContact O-N 3.1Å; S82-G84 PolarHBondContact OG-N 3.02Å; S82-G85 PolarHBondContact O-N 3.28Å |
| 83 | K | 89.2 | Confident | 93.1 | Very high | 160 Ų | 160 | 40.5 Ų | 40.5 | 70% | 0.696 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 32.1 | -174.1 | -59.3 | -178.7 | -179.4 | 179.4 | 0 | 113.3 | V80 E81 | V80-K83 PolarHBondContact O-N 2.73Å; E81-K83 PolarHBondContact O-N 3.11Å |
| 84 | G | 85.3 | Confident | 92.7 | Very high | 12 Ų | 12 | 44 Ų | 44 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 9.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | S82 H149 R287 | S82-G84 PolarHBondContact O-N 3.06Å; S82-G84 VanDerWaalsContact O-N 3.1Å; S82-G84 PolarHBondContact OG-N 3.02Å; G84-H149 PolarHBondContact N-CE1 3.09Å; G84-H149 PolarHBondContact N-ND1 2.86Å; G84-R287 PolarHBondContact O-NH2 2.79Å |
| 85 | G | 85.1 | Confident | 91.9 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -77.8 | -27.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S82 L242 Y271 | S82-G85 PolarHBondContact O-N 3.28Å; G85-L242 WeakPolarHBondContact O-CD1 3.34Å; G85-Y271 VanDerWaalsContact N-CE2 3.34Å |
| 86 | A | 86.9 | Confident | 90.6 | Very high | 24 Ų | 24 | 49 Ų | 49 | 20% | 0.198 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -112.4 | 142.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S88 | A86-S88 PolarHBondContact O-N 3.03Š|
| 87 | R | 87.1 | Confident | 89.1 | Confident | 168 Ų | 168 | 51.5 Ų | 51.5 | 63% | 0.634 | 26% | 0.264 | S | S | * | . | trans | -65.9 | 131.2 | 168.1 | -70.1 | -169.3 | 175.7 | -149.7 | -1.5 | 108.1 | D237 | R87-D237 IonicContact NH2-OD2 3.41Å; R87-D237 PolarHBondContact NH2-OD2 2.72Å | ||
| 88 | S | 91.9 | Very high | 87.7 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | trans | -125.6 | 146.1 | 177.6 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | A79 A86 N147 H150 | A79-S88 WeakPolarHBondContact CB-OG 3.47Å; A86-S88 PolarHBondContact O-N 3.03Å; S88-N147 PolarHBondContact OG-ND2 3.11Å; S88-H150 PolarHBondContact O-CE1 3.22Å; S88-H150 PolarHBondContact O-NE2 3.49Å | ||
| 89 | P | 94.6 | Very high | 86.6 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | trans | -71.2 | 168.7 | -177.2 | 29.2 | -34.3 | 0 | 0 | 0 | 111.8 | V75 L91 N147 H150 | V75-P89 HydrophobicContact CG1-CG 3.75Å; V75-P89 HydrophobicContact CG2-CG 4.25Å; P89-L91 PolarHBondContact O-N 3.11Å; P89-N147 PolarHBondContact O-ND2 3.45Å; P89-H150 PolarHBondContact O-CE1 3.36Å | ||
| 90 | C | 95.4 | Very high | 85.4 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | trans | -65.6 | 134.7 | 174.3 | -74.4 | 0 | 0 | 0 | 0 | 111.1 | L92 E134 C145 H150 | C90-L92 HydrophobicContact CB-CD2 4.01Å; C90-L92 HydrophobicContact CB-CG 4.16Å; C90-L92 PolarHBondContact O-N 3.03Å; C90-E134 PolarHBondContact SG-N 2.84Å; C90-C145 HydrophobicContact CB-CB 4.31Å; C90-H150 PolarHBondContact N-CE1 3.31Å; C90-H150 PolarHBondContact SG-CE1 2.82Å; C90-H150 PolarHBondContact SG-ND1 3.36Å | ||
| 91 | L | 95.5 | Very high | 83.8 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | trans | -94.5 | 82.7 | 171.5 | 178.4 | 64.1 | 0 | 0 | 0 | 108.8 | Q72 L76 P89 L93 C145 C146 N147 | Q72-L91 HydrophobicContact CB-CD1 3.71Å; Q72-L91 HydrophobicContact CG-CD1 4.09Å; L76-L91 HydrophobicContact CB-CD2 3.88Å; L76-L91 HydrophobicContact CD1-CD2 3.82Å; L76-L91 HydrophobicContact CD2-CD2 4.15Å; L76-L91 HydrophobicContact CG-CD2 4.14Å; P89-L91 PolarHBondContact O-N 3.11Å; L91-L93 HydrophobicContact CD1-CD1 4.47Å; L91-L93 HydrophobicContact CD1-CD2 4.24Å; L91-L93 HydrophobicContact CD1-CG 4.35Å; L91-L93 HydrophobicContact CD2-CD1 4.06Å; L91-L93 HydrophobicContact CG-CD1 3.99Å; L91-L93 HydrophobicContact CG-CD2 4.47Å; L91-L93 HydrophobicContact CG-CG 4.03Å; L91-L93 PolarHBondContact O-N 3.39Å; L91-C145 PolarHBondContact N-SG 3.14Å; L91-C145 VanDerWaalsContact N-SG 3.45Å; L91-C145 CarbonylContact O-C 3.54Å; L91-C145 WeakPolarHBondContact O-CA 3.32Å; L91-C146 HydrophobicContact CB-CB 4.49Å; L91-C146 HydrophobicContact CD2-CB 3.98Å; L91-C146 HydrophobicContact CG-CB 4.19Å; L91-C146 PolarHBondContact O-N 3.14Å; L91-N147 HydrophobicContact CB-CB 4.14Å | ||
| 92 | L | 94.4 | Very high | 82.5 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 115.7 | -178.6 | -59.1 | -178.8 | 0 | 0 | 0 | 110.9 | Q72 C90 L143 V144 C145 | Q72-L92 PolarHBondContact NE2-O 3.06Å; C90-L92 HydrophobicContact CB-CD2 4.01Å; C90-L92 HydrophobicContact CB-CG 4.16Å; C90-L92 PolarHBondContact O-N 3.03Å; L92-L143 HydrophobicContact CB-CB 4.41Å; L92-L143 HydrophobicContact CB-CD1 4.45Å; L92-V144 WeakPolarHBondContact CA-O 3.28Å; L92-C145 HydrophobicContact CD2-CB 4.02Å |
| 93 | L | 92.3 | Very high | 81.2 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.5 | 179.1 | -59.5 | 176.9 | 0 | 0 | 0 | 110.7 | I68 L91 S95 L108 L112 L143 V144 C146 | I68-L93 HydrophobicContact CD1-CD1 3.79Å; I68-L93 HydrophobicContact CG1-CD1 4.21Å; I68-L93 HydrophobicContact CG1-CD2 4.47Å; I68-L93 HydrophobicContact CG2-CD2 4.32Å; L91-L93 HydrophobicContact CD1-CD1 4.47Å; L91-L93 HydrophobicContact CD1-CD2 4.24Å; L91-L93 HydrophobicContact CD1-CG 4.35Å; L91-L93 HydrophobicContact CD2-CD1 4.06Å; L91-L93 HydrophobicContact CG-CD1 3.99Å; L91-L93 HydrophobicContact CG-CD2 4.47Å; L91-L93 HydrophobicContact CG-CG 4.03Å; L91-L93 PolarHBondContact O-N 3.39Å; L93-S95 PolarHBondContact O-N 3.41Å; L93-L108 HydrophobicContact CB-CD2 3.57Å; L93-L108 HydrophobicContact CD1-CD2 3.66Å; L93-L108 HydrophobicContact CD1-CG 4.27Å; L93-L108 HydrophobicContact CG-CD2 4.23Å; L93-L112 HydrophobicContact CD1-CD1 4.42Å; L93-L143 WeakPolarHBondContact O-CA 3.43Å; L93-V144 PolarHBondContact N-O 3.49Å; L93-V144 PolarHBondContact O-N 2.98Å; L93-C146 HydrophobicContact CD1-CB 3.84Å; L93-C146 HydrophobicContact CG-CB 4.35Å |
| 94 | P | 89.4 | Confident | 80.2 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 47% | 0.474 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 129.6 | 179.5 | -24.3 | 34.8 | 0 | 0 | 0 | 113 | K96 V97 D142 | P94-K96 VanDerWaalsContact C-N 3.32Å; P94-K96 PolarHBondContact O-N 3.27Å; P94-V97 HydrophobicContact CB-CG2 4.27Å; P94-D142 VanDerWaalsContact CA-O 3.31Å; P94-D142 WeakPolarHBondContact CA-O 3.3Å |
| 95 | S | 79.3 | Confident | 79.8 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.9 | -174.2 | -59.2 | 0 | 0 | 0 | 0 | 114.3 | L93 V97 D142 V144 | L93-S95 PolarHBondContact O-N 3.41Å; S95-V97 VanDerWaalsContact C-N 3.29Å; S95-V97 PolarHBondContact O-N 3.41Å; S95-D142 PolarHBondContact N-O 3.14Å; S95-D142 PolarHBondContact OG-O 3.48Å; S95-V144 PolarHBondContact OG-N 3.07Å |
| 96 | K | 69.1 | Low | 79.6 | Confident | 176 Ų | 176 | 68.3 Ų | 68.3 | 77% | 0.765 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 13.9 | -171.2 | -59.2 | -178.2 | -177.1 | 174.6 | 0 | 114.8 | P94 D98 | P94-K96 VanDerWaalsContact C-N 3.32Å; P94-K96 PolarHBondContact O-N 3.27Å; K96-D98 PolarHBondContact O-N 3.26Å |
| 97 | V | 66.1 | Low | 79.7 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | trans | -94.1 | 86.6 | 179 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | P94 S95 | P94-V97 HydrophobicContact CB-CG2 4.27Å; S95-V97 VanDerWaalsContact C-N 3.29Å; S95-V97 PolarHBondContact O-N 3.41Å | ||
| 98 | D | 67.4 | Low | 79.8 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 138 | 170.8 | -70.9 | -31.8 | 0 | 0 | 0 | 110.9 | K96 | K96-D98 PolarHBondContact O-N 3.26Å |
| 99 | A | 71.7 | Confident | 79.8 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.8 | -175 | 0 | 0 | 0 | 0 | 0 | 108.3 | L60 V64 Y106 L111 | L60-A99 HydrophobicContact CD1-CB 3.75Å; L60-A99 HydrophobicContact CD2-CB 3.62Å; L60-A99 HydrophobicContact CG-CB 3.89Å; V64-A99 HydrophobicContact CG2-CB 4.11Å; A99-Y106 PolarHBondContact N-O 3.25Å; A99-Y106 PolarHBondContact O-N 3.4Å; A99-L111 HydrophobicContact CB-CD2 4.12Å |
| 100 | K | 70.9 | Confident | 79.7 | Confident | 162 Ų | 162 | 59.5 Ų | 59.5 | 70% | 0.704 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.3 | -173.9 | -63.1 | -175.4 | 178.9 | -176.2 | 0 | 112.1 | Q104 | K100-Q104 WeakPolarHBondContact CA-O 3.44Å |
| 101 | V | 61.6 | Low | 79.5 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118 | 168.3 | 174.8 | 0 | 0 | 0 | 0 | 107.3 | E56 L57 L60 Q103 Q104 Y106 | E56-V101 HydrophobicContact CB-CG1 3.64Å; E56-V101 WeakPolarHBondContact OE2-CG1 3.44Å; L57-V101 HydrophobicContact CD1-CG2 4.45Å; L60-V101 HydrophobicContact CB-CG2 3.96Å; L60-V101 HydrophobicContact CD2-CG2 3.27Å; L60-V101 HydrophobicContact CG-CG2 4.23Å; V101-Q103 PolarHBondContact O-N 3.3Å; V101-Q103 VanDerWaalsContact O-N 3.16Å; V101-Q104 PolarHBondContact N-O 2.83Å; V101-Q104 WeakPolarHBondContact O-CA 3.47Å; V101-Q104 PolarHBondContact O-N 3.35Å; V101-Q104 VanDerWaalsContact O-O 3.12Å; V101-Y106 HydrophobicContact CB-CE2 3.92Å; V101-Y106 HydrophobicContact CG2-CD2 4.11Å; V101-Y106 HydrophobicContact CG2-CE2 3.72Å |
| 102 | G | 66.6 | Low | 79.5 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | -120.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E56 | E56-G102 PolarHBondContact OE2-N 3.45Å; E56-G102 VanDerWaalsContact OE2-N 3.15Å |
| 103 | Q | 65.8 | Low | 79.5 | Confident | 201 Ų | 201 | 56.1 Ų | 56.1 | 94% | 0.939 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -6.9 | 176.1 | -65.2 | -62.3 | -35.2 | 0 | 0 | 114.1 | V101 | V101-Q103 PolarHBondContact O-N 3.3Å; V101-Q103 VanDerWaalsContact O-N 3.16Å |
| 104 | Q | 68.5 | Low | 79.5 | Confident | 94 Ų | 94 | 57 Ų | 57 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.5 | -174.7 | -163.7 | 166.5 | 11.2 | 0 | 0 | 111.2 | K100 V101 Y106 | K100-Q104 WeakPolarHBondContact CA-O 3.44Å; V101-Q104 PolarHBondContact N-O 2.83Å; V101-Q104 WeakPolarHBondContact O-CA 3.47Å; V101-Q104 PolarHBondContact O-N 3.35Å; V101-Q104 VanDerWaalsContact O-O 3.12Å; Q104-Y106 VanDerWaalsContact CD-CE1 3.46Å; Q104-Y106 VanDerWaalsContact CD-CZ 3.43Å; Q104-Y106 HydrophobicContact CG-CD1 4.44Å; Q104-Y106 HydrophobicContact CG-CE1 3.77Å; Q104-Y106 HydrophobicContact CG-CE2 4.32Å; Q104-Y106 PolarHBondContact OE1-OH 3.39Å |
| 105 | S | 76.6 | Confident | 79.8 | Confident | 80 Ų | 80 | 53.9 Ų | 53.9 | 56% | 0.559 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.9 | 168.4 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 106 | Y | 81.3 | Confident | 80.6 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.8 | 170.6 | -57.4 | -68.8 | 0 | 0 | 0 | 109.1 | L57 L60 A99 V101 Q104 L111 K114 | L57-Y106 HydrophobicContact CD1-CE2 4.38Å; L60-Y106 HydrophobicContact CD2-CD2 4.18Å; A99-Y106 PolarHBondContact N-O 3.25Å; A99-Y106 PolarHBondContact O-N 3.4Å; V101-Y106 HydrophobicContact CB-CE2 3.92Å; V101-Y106 HydrophobicContact CG2-CD2 4.11Å; V101-Y106 HydrophobicContact CG2-CE2 3.72Å; Q104-Y106 VanDerWaalsContact CD-CE1 3.46Å; Q104-Y106 VanDerWaalsContact CD-CZ 3.43Å; Q104-Y106 HydrophobicContact CG-CD1 4.44Å; Q104-Y106 HydrophobicContact CG-CE1 3.77Å; Q104-Y106 HydrophobicContact CG-CE2 4.32Å; Q104-Y106 PolarHBondContact OE1-OH 3.39Å; Y106-L111 HydrophobicContact CD2-CD1 4.38Å; Y106-K114 HydrophobicContact CD1-CD 4.01Å; Y106-K114 HydrophobicContact CE1-CD 3.65Å |
| 107 | S | 87.9 | Confident | 81.8 | Confident | 45 Ų | 45 | 46.3 Ų | 46.3 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 151.9 | 159.7 | 67.9 | 0 | 0 | 0 | 0 | 109.3 | M110 L111 | S107-M110 WeakPolarHBondContact O-CB 3.35Å; S107-M110 PolarHBondContact O-N 3.47Å; S107-M110 WeakPolarHBondContact OG-CB 3.39Å; S107-M110 VanDerWaalsContact OG-CG 3.28Å; S107-M110 WeakPolarHBondContact OG-CG 3.38Å; S107-L111 PolarHBondContact O-N 2.91Å |
| 108 | L | 89.2 | Confident | 83.2 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.9 | -45.6 | 179.9 | 177.2 | 62.2 | 0 | 0 | 0 | 113.9 | V64 L93 L112 | V64-L108 HydrophobicContact CB-CD1 4.47Å; V64-L108 HydrophobicContact CG1-CD1 3.21Å; V64-L108 HydrophobicContact CG2-CD1 4.47Å; L93-L108 HydrophobicContact CB-CD2 3.57Å; L93-L108 HydrophobicContact CD1-CD2 3.66Å; L93-L108 HydrophobicContact CD1-CG 4.27Å; L93-L108 HydrophobicContact CG-CD2 4.23Å; L108-L112 HydrophobicContact CD1-CD1 4.04Å; L108-L112 HydrophobicContact CD1-CG 4.43Å; L108-L112 HydrophobicContact CG-CD1 4.28Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 3.39Å |
| 109 | P | 92.1 | Very high | 84.4 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 174.5 | -18.4 | 28.8 | 0 | 0 | 0 | 112.8 | L111 L112 Y113 V144 | P109-L111 VanDerWaalsContact C-N 3.33Å; P109-L111 PolarHBondContact O-N 3.4Å; P109-L112 PolarHBondContact O-N 2.75Å; P109-L112 VanDerWaalsContact O-N 3.14Å; P109-Y113 HydrophobicContact CB-CD2 4.35Å; P109-Y113 HydrophobicContact CB-CE1 4.37Å; P109-Y113 HydrophobicContact CB-CE2 3.58Å; P109-Y113 VanDerWaalsContact O-CD1 3.31Å; P109-Y113 WeakPolarHBondContact O-CD1 3.48Å; P109-Y113 WeakPolarHBondContact O-CD2 3.33Å; P109-Y113 PolarHBondContact O-N 3.09Å; P109-V144 HydrophobicContact CG-CB 4.34Å; P109-V144 HydrophobicContact CG-CG1 3.65Å; P109-V144 HydrophobicContact CG-CG2 3.69Å |
| 110 | M | 91.4 | Very high | 85.3 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | -178.8 | -79.7 | -63.9 | -56.5 | 0 | 0 | 112.3 | S107 L112 Y113 K114 L121 L127 | S107-M110 WeakPolarHBondContact O-CB 3.35Å; S107-M110 PolarHBondContact O-N 3.47Å; S107-M110 WeakPolarHBondContact OG-CB 3.39Å; S107-M110 VanDerWaalsContact OG-CG 3.28Å; S107-M110 WeakPolarHBondContact OG-CG 3.38Å; M110-L112 VanDerWaalsContact C-N 3.35Å; M110-L112 PolarHBondContact O-N 2.87Å; M110-Y113 PolarHBondContact O-N 3.43Å; M110-K114 WeakPolarHBondContact O-CB 3.04Å; M110-K114 WeakPolarHBondContact O-CG 3.4Å; M110-K114 PolarHBondContact O-N 3.39Å; M110-L121 HydrophobicContact CE-CD2 3.5Å; M110-L121 HydrophobicContact CE-CG 3.79Å; M110-L121 HydrophobicContact SD-CD2 3.93Å; M110-L127 HydrophobicContact SD-CD1 4.31Å |
| 111 | L | 92.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 175.8 | 178.3 | 63.6 | 0 | 0 | 0 | 111.3 | L57 L60 V64 A99 Y106 S107 P109 K114 V115 | L57-L111 HydrophobicContact CD1-CD1 3.48Å; L57-L111 VanDerWaalsContact CD1-CD1 3.48Å; L60-L111 HydrophobicContact CD2-CD1 4.18Å; L60-L111 HydrophobicContact CD2-CD2 4.09Å; L60-L111 HydrophobicContact CG-CD2 4.07Å; V64-L111 HydrophobicContact CB-CD2 4.22Å; V64-L111 HydrophobicContact CG1-CD2 4.47Å; V64-L111 HydrophobicContact CG2-CD2 3.76Å; A99-L111 HydrophobicContact CB-CD2 4.12Å; Y106-L111 HydrophobicContact CD2-CD1 4.38Å; S107-L111 PolarHBondContact O-N 2.91Å; P109-L111 VanDerWaalsContact C-N 3.33Å; P109-L111 PolarHBondContact O-N 3.4Å; L111-K114 PolarHBondContact O-N 3.24Å; L111-V115 HydrophobicContact CD1-CG2 4.14Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 VanDerWaalsContact O-CG2 3.23Å; L111-V115 WeakPolarHBondContact O-CG2 3.5Å; L111-V115 PolarHBondContact O-N 3.46Å |
| 112 | L | 94.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -35.9 | -177.3 | -61.9 | 169.9 | 0 | 0 | 0 | 111.8 | L65 L76 L93 L108 P109 M110 F116 C146 | L65-L112 HydrophobicContact CD2-CD2 4.27Å; L76-L112 HydrophobicContact CD2-CD2 4.34Å; L93-L112 HydrophobicContact CD1-CD1 4.42Å; L108-L112 HydrophobicContact CD1-CD1 4.04Å; L108-L112 HydrophobicContact CD1-CG 4.43Å; L108-L112 HydrophobicContact CG-CD1 4.28Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 3.39Å; P109-L112 PolarHBondContact O-N 2.75Å; P109-L112 VanDerWaalsContact O-N 3.14Å; M110-L112 VanDerWaalsContact C-N 3.35Å; M110-L112 PolarHBondContact O-N 2.87Å; L112-F116 HydrophobicContact CB-CD2 4.24Å; L112-F116 HydrophobicContact CB-CE2 4.48Å; L112-F116 HydrophobicContact CD2-CD2 4.27Å; L112-F116 HydrophobicContact CD2-CE2 3.66Å; L112-F116 WeakPolarHBondContact O-CB 3.39Å; L112-F116 VanDerWaalsContact O-CD2 3.22Å; L112-F116 WeakPolarHBondContact O-CD2 3.31Å; L112-F116 PolarHBondContact O-N 3.49Å; L112-C146 HydrophobicContact CD1-CB 3.61Å |
| 113 | Y | 94.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66 | -42.9 | 175.1 | -55.4 | -22.6 | 0 | 0 | 0 | 111.7 | P109 M110 R117 W118 L127 C145 P148 M151 | P109-Y113 HydrophobicContact CB-CD2 4.35Å; P109-Y113 HydrophobicContact CB-CE1 4.37Å; P109-Y113 HydrophobicContact CB-CE2 3.58Å; P109-Y113 VanDerWaalsContact O-CD1 3.31Å; P109-Y113 WeakPolarHBondContact O-CD1 3.48Å; P109-Y113 WeakPolarHBondContact O-CD2 3.33Å; P109-Y113 PolarHBondContact O-N 3.09Å; M110-Y113 PolarHBondContact O-N 3.43Å; Y113-R117 PolarHBondContact O-N 3.45Å; Y113-W118 PolarHBondContact O-N 2.97Å; Y113-L127 HydrophobicContact CD2-CD1 3.41Å; Y113-L127 VanDerWaalsContact CD2-CD1 3.41Å; Y113-L127 HydrophobicContact CE2-CD1 3.94Å; Y113-L127 HydrophobicContact CG-CD1 4.29Å; Y113-C145 PolarHBondContact OH-O 3.37Å; Y113-C145 VanDerWaalsContact OH-O 3.11Å; Y113-P148 HydrophobicContact CD1-CB 4.02Å; Y113-P148 HydrophobicContact CD1-CG 4.33Å; Y113-M151 HydrophobicContact CD1-CG 4.48Å; Y113-M151 HydrophobicContact CD2-CG 4.36Å; Y113-M151 HydrophobicContact CE1-CG 3.84Å; Y113-M151 HydrophobicContact CE2-CG 3.69Å; Y113-M151 HydrophobicContact CE2-SD 4.47Å; Y113-M151 WeakPolarHBondContact OH-CG 3.46Å |
| 114 | K | 93.2 | Very high | 89.7 | Confident | 24 Ų | 24 | 43.7 Ų | 43.7 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.9 | -50.9 | 174.9 | -83.8 | 178.9 | 154.2 | -75.1 | 0 | 112.3 | Y106 M110 L111 W118 P119 L121 | Y106-K114 HydrophobicContact CD1-CD 4.01Å; Y106-K114 HydrophobicContact CE1-CD 3.65Å; M110-K114 WeakPolarHBondContact O-CB 3.04Å; M110-K114 WeakPolarHBondContact O-CG 3.4Å; M110-K114 PolarHBondContact O-N 3.39Å; L111-K114 PolarHBondContact O-N 3.24Å; K114-W118 WeakPolarHBondContact CA-O 3.39Å; K114-W118 CarbonylContact O-C 3.54Å; K114-P119 PolarHBondContact NZ-O 3.34Å; K114-P119 VanDerWaalsContact NZ-O 3.16Å; K114-P119 WeakPolarHBondContact O-CA 3.22Å; K114-L121 WeakPolarHBondContact CE-O 3.44Å; K114-L121 HydrophobicContact CG-CB 4.06Å; K114-L121 HydrophobicContact CG-CD2 4.31Å; K114-L121 PolarHBondContact NZ-O 2.81Å |
| 115 | V | 94.7 | Very high | 90.9 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.2 | -42.3 | -174.8 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | W14 R17 A18 L57 T61 L111 | W14-V115 HydrophobicContact CZ3-CG1 4.26Å; R17-V115 CarbonylContact C-O 3.53Å; R17-V115 WeakPolarHBondContact CA-O 3.46Å; R17-V115 HydrophobicContact CB-CG1 3.92Å; R17-V115 WeakPolarHBondContact CB-O 3.47Å; A18-V115 PolarHBondContact N-O 3.11Å; L57-V115 HydrophobicContact CD1-CG2 4.4Å; L57-V115 HydrophobicContact CD2-CG2 4.49Å; L57-V115 HydrophobicContact CG-CG2 4.39Å; T61-V115 HydrophobicContact CG2-CG1 4.14Å; T61-V115 HydrophobicContact CG2-CG2 4.22Å; T61-V115 WeakPolarHBondContact OG1-CG2 3.23Å; L111-V115 HydrophobicContact CD1-CG2 4.14Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 VanDerWaalsContact O-CG2 3.23Å; L111-V115 WeakPolarHBondContact O-CG2 3.5Å; L111-V115 PolarHBondContact O-N 3.46Å |
| 116 | F | 96.1 | Very high | 91.7 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -99 | -13.4 | -169.7 | -63.3 | -59.2 | 0 | 0 | 0 | 114.9 | L13 L76 V80 L112 P148 | L13-F116 HydrophobicContact CB-CE1 4.3Å; L13-F116 HydrophobicContact CB-CZ 4.18Å; L13-F116 HydrophobicContact CD2-CE1 4.31Å; L13-F116 HydrophobicContact CD2-CZ 4.13Å; L13-F116 WeakPolarHBondContact O-CE1 3.49Å; L76-F116 HydrophobicContact CD1-CD2 4.5Å; L76-F116 HydrophobicContact CD1-CE2 4.44Å; L76-F116 HydrophobicContact CD2-CE2 4.11Å; V80-F116 HydrophobicContact CB-CD1 4.45Å; V80-F116 HydrophobicContact CG1-CB 4.32Å; V80-F116 HydrophobicContact CG1-CD1 3.71Å; V80-F116 HydrophobicContact CG1-CE1 4.4Å; V80-F116 HydrophobicContact CG1-CG 4.22Å; V80-F116 HydrophobicContact CG2-CB 3.93Å; V80-F116 HydrophobicContact CG2-CD1 3.86Å; V80-F116 HydrophobicContact CG2-CD2 4.07Å; V80-F116 HydrophobicContact CG2-CE1 4.43Å; V80-F116 HydrophobicContact CG2-CG 3.67Å; L112-F116 HydrophobicContact CB-CD2 4.24Å; L112-F116 HydrophobicContact CB-CE2 4.48Å; L112-F116 HydrophobicContact CD2-CD2 4.27Å; L112-F116 HydrophobicContact CD2-CE2 3.66Å; L112-F116 WeakPolarHBondContact O-CB 3.39Å; L112-F116 VanDerWaalsContact O-CD2 3.22Å; L112-F116 WeakPolarHBondContact O-CD2 3.31Å; L112-F116 PolarHBondContact O-N 3.49Å; F116-P148 HydrophobicContact CB-CB 4.28Å; F116-P148 HydrophobicContact CB-CG 3.95Å; F116-P148 HydrophobicContact CD2-CG 4.04Å; F116-P148 HydrophobicContact CG-CG 4.41Å |
| 117 | R | 95.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 15% | 0.151 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -49.9 | -177.6 | -63.3 | -165.8 | 71.2 | -176.4 | 0.7 | 114.8 | Y113 P148 M151 Y285 | Y113-R117 PolarHBondContact O-N 3.45Å; R117-P148 VanDerWaalsContact CD-C 3.5Å; R117-P148 WeakPolarHBondContact CD-O 3.49Å; R117-P148 HydrophobicContact CG-CB 3.73Å; R117-P148 PolarHBondContact NH1-O 3.21Å; R117-M151 PolarHBondContact NH1-O 3.19Å; R117-Y285 PolarHBondContact NH1-OH 3.06Å; R117-Y285 PolarHBondContact NH2-OH 3.16Å |
| 118 | W | 94.8 | Very high | 92.7 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | trans | -136.2 | 83.3 | -166.8 | -55.5 | -59.9 | 0 | 0 | 0 | 111.9 | Y113 K114 D120 L121 L127 M151 R153 G315 | Y113-W118 PolarHBondContact O-N 2.97Å; K114-W118 WeakPolarHBondContact CA-O 3.39Å; K114-W118 CarbonylContact O-C 3.54Å; W118-D120 PolarHBondContact O-N 3.42Å; W118-D120 VanDerWaalsContact O-N 3.16Å; W118-L121 HydrophobicContact CB-CB 3.92Å; W118-L121 WeakPolarHBondContact O-CB 3.42Å; W118-L121 PolarHBondContact O-N 2.85Å; W118-L127 HydrophobicContact CE3-CD2 3.69Å; W118-L127 HydrophobicContact CH2-CD2 4.05Å; W118-L127 HydrophobicContact CZ3-CD2 3.37Å; W118-M151 HydrophobicContact CH2-CB 4.2Å; W118-M151 HydrophobicContact CZ3-CB 4.17Å; W118-R153 HydrophobicContact CD2-CG 3.72Å; W118-R153 HydrophobicContact CE3-CG 4.09Å; W118-R153 HydrophobicContact CG-CG 4.13Å; W118-R153 HydrophobicContact CH2-CG 4.29Å; W118-R153 HydrophobicContact CZ2-CB 4.47Å; W118-R153 HydrophobicContact CZ2-CG 3.94Å; W118-R153 HydrophobicContact CZ3-CG 4.37Å; W118-G315 WeakPolarHBondContact CZ2-O 3.42Å | ||
| 119 | P | 92.9 | Very high | 93 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 29% | 0.292 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -35 | -179.4 | -26.9 | 36.2 | 0 | 0 | 0 | 113.2 | A18 V20 K114 L121 | A18-P119 HydrophobicContact CB-CG 3.8Å; V20-P119 HydrophobicContact CG2-CB 4.4Å; V20-P119 HydrophobicContact CG2-CG 4.48Å; K114-P119 PolarHBondContact NZ-O 3.34Å; K114-P119 VanDerWaalsContact NZ-O 3.16Å; K114-P119 WeakPolarHBondContact O-CA 3.22Å; P119-L121 VanDerWaalsContact C-N 3.34Å; P119-L121 PolarHBondContact O-N 2.85Å |
| 120 | D | 91.3 | Very high | 93.2 | Very high | 92 Ų | 92 | 41.9 Ų | 41.9 | 49% | 0.492 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7.4 | -178.6 | 68.7 | -46.7 | 0 | 0 | 0 | 114.8 | W118 R122 R153 | W118-D120 PolarHBondContact O-N 3.42Å; W118-D120 VanDerWaalsContact O-N 3.16Å; D120-R122 WeakPolarHBondContact O-CG 3.24Å; D120-R122 PolarHBondContact O-N 2.9Å; D120-R153 IonicContact OD1-NH1 3.28Å; D120-R153 PolarHBondContact OD1-NH1 3.12Å; D120-R153 IonicContact OD2-CZ 2.69Å; D120-R153 IonicContact OD2-NH1 2.81Å; D120-R153 PolarHBondContact OD2-NH1 3.49Å; D120-R153 IonicContact OD2-NH2 3.63Å |
| 121 | L | 91.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -54.9 | 132.7 | -180 | 178.6 | 68 | 0 | 0 | 0 | 111.1 | M110 K114 W118 P119 E126 L127 | M110-L121 HydrophobicContact CE-CD2 3.5Å; M110-L121 HydrophobicContact CE-CG 3.79Å; M110-L121 HydrophobicContact SD-CD2 3.93Å; K114-L121 WeakPolarHBondContact CE-O 3.44Å; K114-L121 HydrophobicContact CG-CB 4.06Å; K114-L121 HydrophobicContact CG-CD2 4.31Å; K114-L121 PolarHBondContact NZ-O 2.81Å; W118-L121 HydrophobicContact CB-CB 3.92Å; W118-L121 WeakPolarHBondContact O-CB 3.42Å; W118-L121 PolarHBondContact O-N 2.85Å; P119-L121 VanDerWaalsContact C-N 3.34Å; P119-L121 PolarHBondContact O-N 2.85Å; L121-E126 HydrophobicContact CD1-CB 3.92Å; L121-L127 HydrophobicContact CD1-CD1 4.3Å; L121-L127 HydrophobicContact CD1-CD2 3.83Å; L121-L127 HydrophobicContact CD1-CG 3.9Å; L121-L127 HydrophobicContact CD2-CD1 3.77Å; L121-L127 HydrophobicContact CD2-CD2 4.37Å; L121-L127 HydrophobicContact CD2-CG 4.29Å | ||
| 122 | R | 88.8 | Confident | 93.2 | Very high | 184 Ų | 184 | 45.4 Ų | 45.4 | 69% | 0.694 | 24% | 0.235 | S | C | * | . | trans | -110.3 | -46 | -176.6 | -54 | -177.6 | -179.3 | -177 | -0.5 | 111.7 | D120 E126 | D120-R122 WeakPolarHBondContact O-CG 3.24Å; D120-R122 PolarHBondContact O-N 2.9Å; R122-E126 WeakPolarHBondContact CA-OE1 3.35Å; R122-E126 VanDerWaalsContact CB-OE1 3.31Å; R122-E126 WeakPolarHBondContact CB-OE1 3.41Å; R122-E126 PolarHBondContact N-OE1 2.69Å | ||
| 123 | H | 88.1 | Confident | 93.2 | Very high | 120 Ų | 120 | 45.6 Ų | 45.6 | 56% | 0.556 | 24% | 0.237 | S | C | * | . | trans | -132.5 | 152.9 | -171.8 | -56.8 | -64.7 | 0 | 0 | 0 | 112.1 | S125 E126 | H123-S125 WeakPolarHBondContact CB-OG 3.43Å; H123-S125 PolarHBondContact O-N 3.44Å; H123-E126 PolarHBondContact N-OE1 2.83Å; H123-E126 WeakPolarHBondContact O-CB 3.43Å; H123-E126 PolarHBondContact O-N 3.15Å | ||
| 124 | S | 89.6 | Confident | 93.1 | Very high | 90 Ų | 90 | 51 Ų | 51 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -66.8 | -22.3 | 175.5 | 52.2 | 0 | 0 | 0 | 0 | 113 | E126 L127 | S124-E126 PolarHBondContact O-N 2.79Å; S124-L127 WeakPolarHBondContact O-CB 3.21Å; S124-L127 PolarHBondContact O-N 2.93Å; S124-L127 VanDerWaalsContact O-N 3.08Å |
| 125 | S | 92 | Very high | 93 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 63% | 0.629 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -64.9 | -20 | 176 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | H123 L127 | H123-S125 WeakPolarHBondContact CB-OG 3.43Å; H123-S125 PolarHBondContact O-N 3.44Å; S125-L127 PolarHBondContact O-N 2.99Å |
| 126 | E | 94.2 | Very high | 92.9 | Very high | 24 Ų | 24 | 54 Ų | 54 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -77 | -5 | 174.6 | -59.9 | 176.4 | -109 | 0 | 0 | 112.4 | L121 R122 H123 S124 R153 L154 | L121-E126 HydrophobicContact CD1-CB 3.92Å; R122-E126 WeakPolarHBondContact CA-OE1 3.35Å; R122-E126 VanDerWaalsContact CB-OE1 3.31Å; R122-E126 WeakPolarHBondContact CB-OE1 3.41Å; R122-E126 PolarHBondContact N-OE1 2.69Å; H123-E126 PolarHBondContact N-OE1 2.83Å; H123-E126 WeakPolarHBondContact O-CB 3.43Å; H123-E126 PolarHBondContact O-N 3.15Å; S124-E126 PolarHBondContact O-N 2.79Å; E126-R153 CarbonylContact O-C 3.6Å; E126-R153 VanDerWaalsContact O-CA 3.29Å; E126-R153 WeakPolarHBondContact O-CA 3.49Å; E126-R153 IonicContact OE2-CZ 2.64Å; E126-R153 IonicContact OE2-NE 3.44Å; E126-R153 IonicContact OE2-NH2 2.7Å; E126-R153 PolarHBondContact OE2-NH2 3.48Å; E126-L154 PolarHBondContact O-N 3.14Å |
| 127 | L | 95.5 | Very high | 92.4 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141.3 | -172.9 | -60.6 | -178.8 | 0 | 0 | 0 | 112.2 | M110 Y113 W118 L121 S124 S125 M151 S152 R153 | M110-L127 HydrophobicContact SD-CD1 4.31Å; Y113-L127 HydrophobicContact CD2-CD1 3.41Å; Y113-L127 VanDerWaalsContact CD2-CD1 3.41Å; Y113-L127 HydrophobicContact CE2-CD1 3.94Å; Y113-L127 HydrophobicContact CG-CD1 4.29Å; W118-L127 HydrophobicContact CE3-CD2 3.69Å; W118-L127 HydrophobicContact CH2-CD2 4.05Å; W118-L127 HydrophobicContact CZ3-CD2 3.37Å; L121-L127 HydrophobicContact CD1-CD1 4.3Å; L121-L127 HydrophobicContact CD1-CD2 3.83Å; L121-L127 HydrophobicContact CD1-CG 3.9Å; L121-L127 HydrophobicContact CD2-CD1 3.77Å; L121-L127 HydrophobicContact CD2-CD2 4.37Å; L121-L127 HydrophobicContact CD2-CG 4.29Å; S124-L127 WeakPolarHBondContact O-CB 3.21Å; S124-L127 PolarHBondContact O-N 2.93Å; S124-L127 VanDerWaalsContact O-N 3.08Å; S125-L127 PolarHBondContact O-N 2.99Å; L127-M151 HydrophobicContact CB-CE 3.6Å; L127-M151 HydrophobicContact CD1-CE 4.31Å; L127-S152 WeakPolarHBondContact CA-O 3.48Å; L127-R153 HydrophobicContact CD2-CG 3.75Å |
| 128 | K | 94.9 | Very high | 92 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 10% | 0.096 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.7 | 168.3 | 175.9 | 177.8 | -172.1 | -61.4 | 0 | 110.1 | M151 S152 L154 E278 W283 | K128-M151 VanDerWaalsContact C-CE 3.49Å; K128-M151 CarbonylContact O-C 3.59Å; K128-M151 WeakPolarHBondContact O-CA 3.28Å; K128-S152 PolarHBondContact N-O 3.43Å; K128-S152 PolarHBondContact O-N 2.57Å; K128-S152 PolarHBondContact O-OG 3.35Å; K128-L154 HydrophobicContact CB-CD1 4.46Å; K128-L154 HydrophobicContact CB-CD2 3.57Å; K128-L154 HydrophobicContact CB-CG 3.91Å; K128-L154 HydrophobicContact CD-CD2 4.03Å; K128-L154 HydrophobicContact CG-CD2 4.37Å; K128-E278 WeakPolarHBondContact CE-OE2 3.31Å; K128-E278 IonicContact NZ-OE1 3.37Å; K128-E278 PolarHBondContact NZ-OE1 2.73Å; K128-E278 IonicContact NZ-OE2 3.15Å; K128-E278 PolarHBondContact NZ-OE2 3Å; K128-W283 HydrophobicContact CD-CD2 3.99Å; K128-W283 HydrophobicContact CD-CE3 3.64Å; K128-W283 HydrophobicContact CD-CH2 3.79Å; K128-W283 HydrophobicContact CD-CZ2 4.12Å; K128-W283 HydrophobicContact CD-CZ3 3.54Å |
| 129 | R | 95.9 | Very high | 91.4 | Very high | 61 Ų | 61 | 69.6 Ų | 69.6 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.8 | 170.3 | -168.4 | 171.3 | -64.5 | -116.9 | 2.5 | 109.6 | C133 S135 Y136 M151 | R129-C133 HydrophobicContact CG-CB 3.81Å; R129-C133 PolarHBondContact NH1-SG 2.89Å; R129-S135 VanDerWaalsContact NH1-CB 3.33Å; R129-Y136 HydrophobicContact CB-CD2 4.26Å; R129-Y136 HydrophobicContact CG-CD2 4.34Å; R129-Y136 VanDerWaalsContact O-CD2 3.31Å; R129-Y136 WeakPolarHBondContact O-CD2 3.37Å; R129-Y136 WeakPolarHBondContact O-CE2 3.44Å; R129-M151 HydrophobicContact CB-CE 4.2Å; R129-M151 HydrophobicContact CB-SD 3.84Å; R129-M151 HydrophobicContact CG-SD 3.99Å |
| 130 | L | 95.6 | Very high | 91 | Very high | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | trans | -81.4 | 148.9 | 178 | -63.8 | 173.7 | 0 | 0 | 0 | 110.6 | C132 C133 H150 Y285 | L130-C132 PolarHBondContact O-N 3.41Å; L130-C133 WeakPolarHBondContact O-CB 3.41Å; L130-C133 PolarHBondContact O-N 2.71Å; L130-H150 PolarHBondContact N-O 2.88Å; L130-Y285 HydrophobicContact CD1-CD1 3.81Å; L130-Y285 HydrophobicContact CD1-CE1 3.46Å; L130-Y285 VanDerWaalsContact CD1-CE1 3.46Å; L130-Y285 HydrophobicContact CD1-CE2 4.35Å; L130-Y285 HydrophobicContact CD1-CG 4.4Å; L130-Y285 HydrophobicContact CD2-CD1 3.93Å; L130-Y285 HydrophobicContact CD2-CD2 4.17Å; L130-Y285 HydrophobicContact CD2-CE1 4.38Å; L130-Y285 HydrophobicContact CD2-CG 3.82Å | ||
| 131 | S | 92.5 | Very high | 90.5 | Very high | 41 Ų | 41 | 71.5 Ų | 71.5 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.2 | -180 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | C133 T276 | S131-C133 PolarHBondContact O-N 2.9Å; S131-T276 WeakPolarHBondContact OG-CG2 3.29Å |
| 132 | C | 91.1 | Very high | 90.4 | Very high | 53 Ų | 53 | 76.3 Ų | 76.3 | 36% | 0.358 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.4 | 173.7 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | L130 | L130-C132 PolarHBondContact O-N 3.41Š|
| 133 | C | 94.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -81.4 | 127.5 | 175.4 | -170 | 0 | 0 | 0 | 0 | 110.2 | R129 L130 S131 S135 Y136 H150 | R129-C133 HydrophobicContact CG-CB 3.81Å; R129-C133 PolarHBondContact NH1-SG 2.89Å; L130-C133 WeakPolarHBondContact O-CB 3.41Å; L130-C133 PolarHBondContact O-N 2.71Å; S131-C133 PolarHBondContact O-N 2.9Å; C133-S135 PolarHBondContact O-N 2.87Å; C133-S135 VanDerWaalsContact O-N 3.09Å; C133-Y136 WeakPolarHBondContact O-CB 3.15Å; C133-Y136 PolarHBondContact O-N 2.87Å; C133-H150 HydrophobicContact CB-CB 3.93Å |
| 134 | E | 93 | Very high | 90.6 | Very high | 122 Ų | 122 | 66.1 Ų | 66.1 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.3 | 177.9 | -64.8 | 171.5 | -167.1 | 0 | 0 | 113.6 | C90 K138 | C90-E134 PolarHBondContact SG-N 2.84Å; E134-K138 WeakPolarHBondContact O-CD 3.27Å; E134-K138 WeakPolarHBondContact O-CE 3.37Å; E134-K138 PolarHBondContact O-NZ 3.47Å |
| 135 | S | 90.7 | Very high | 90.9 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.6 | 174.4 | -41.3 | 0 | 0 | 0 | 0 | 113.5 | R129 C133 G137 K138 | R129-S135 VanDerWaalsContact NH1-CB 3.33Å; C133-S135 PolarHBondContact O-N 2.87Å; C133-S135 VanDerWaalsContact O-N 3.09Å; S135-G137 PolarHBondContact O-N 2.91Å; S135-K138 PolarHBondContact O-N 3.27Å; S135-K138 VanDerWaalsContact O-N 3.14Å |
| 136 | Y | 91.8 | Very high | 91 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 29% | 0.286 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 130.6 | 174.8 | 178.8 | -90.4 | 0 | 0 | 0 | 110.1 | R129 C133 K138 E278 | R129-Y136 HydrophobicContact CB-CD2 4.26Å; R129-Y136 HydrophobicContact CG-CD2 4.34Å; R129-Y136 VanDerWaalsContact O-CD2 3.31Å; R129-Y136 WeakPolarHBondContact O-CD2 3.37Å; R129-Y136 WeakPolarHBondContact O-CE2 3.44Å; C133-Y136 WeakPolarHBondContact O-CB 3.15Å; C133-Y136 PolarHBondContact O-N 2.87Å; Y136-K138 PolarHBondContact O-N 2.82Å; Y136-K138 VanDerWaalsContact O-N 3.14Å; Y136-E278 PolarHBondContact OH-OE2 3.17Å |
| 137 | G | 86.5 | Confident | 91.1 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 81% | 0.814 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 4.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S135 | S135-G137 PolarHBondContact O-N 2.91Š|
| 138 | K | 87.8 | Confident | 91.2 | Very high | 146 Ų | 146 | 55.6 Ų | 55.6 | 64% | 0.635 | 31% | 0.307 | S | S | * | . | trans | -115.8 | 135.3 | -178.8 | -60.7 | 179.2 | -167.6 | 158.8 | 0 | 110.8 | E134 S135 Y136 | E134-K138 WeakPolarHBondContact O-CD 3.27Å; E134-K138 WeakPolarHBondContact O-CE 3.37Å; E134-K138 PolarHBondContact O-NZ 3.47Å; S135-K138 PolarHBondContact O-N 3.27Å; S135-K138 VanDerWaalsContact O-N 3.14Å; Y136-K138 PolarHBondContact O-N 2.82Å; Y136-K138 VanDerWaalsContact O-N 3.14Å | ||
| 139 | I | 80.7 | Confident | 91.2 | Very high | 171 Ų | 171 | 55.6 Ų | 55.6 | 88% | 0.877 | 31% | 0.307 | S | S | * | . | trans | -100.5 | 118.1 | 171.5 | -57.2 | 175.3 | 0 | 0 | 0 | 107.4 | ||||
| 140 | N | 84.4 | Confident | 91.2 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | trans | -119.4 | 115.8 | 169.7 | -175.6 | -36.8 | 0 | 0 | 0 | 108.1 | D142 L143 | N140-D142 VanDerWaalsContact C-N 3.28Å; N140-D142 PolarHBondContact O-N 2.92Å; N140-D142 PolarHBondContact OD1-N 3.43Å; N140-L143 WeakPolarHBondContact CB-O 3.4Å; N140-L143 PolarHBondContact OD1-N 3.3Å | ||
| 141 | P | 81.9 | Confident | 91.3 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 63% | 0.63 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -70.2 | -24.6 | -175.9 | 27.7 | -33.9 | 0 | 0 | 0 | 113 | ||
| 142 | D | 87.9 | Confident | 91.5 | Very high | 101 Ų | 101 | 51.6 Ų | 51.6 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -96.1 | -38 | -172.5 | -64.1 | -40.3 | 0 | 0 | 0 | 112.9 | P94 S95 N140 | P94-D142 VanDerWaalsContact CA-O 3.31Å; P94-D142 WeakPolarHBondContact CA-O 3.3Å; S95-D142 PolarHBondContact N-O 3.14Å; S95-D142 PolarHBondContact OG-O 3.48Å; N140-D142 VanDerWaalsContact C-N 3.28Å; N140-D142 PolarHBondContact O-N 2.92Å; N140-D142 PolarHBondContact OD1-N 3.43Å |
| 143 | L | 90.9 | Very high | 91.8 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.8 | -175.6 | -64.5 | 176.7 | 0 | 0 | 0 | 111.9 | L92 L93 N140 | L92-L143 HydrophobicContact CB-CB 4.41Å; L92-L143 HydrophobicContact CB-CD1 4.45Å; L93-L143 WeakPolarHBondContact O-CA 3.43Å; N140-L143 WeakPolarHBondContact CB-O 3.4Å; N140-L143 PolarHBondContact OD1-N 3.3Å |
| 144 | V | 91.7 | Very high | 91.8 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.5 | 175.3 | 62.3 | 0 | 0 | 0 | 0 | 110.2 | L92 L93 S95 P109 C146 | L92-V144 WeakPolarHBondContact CA-O 3.28Å; L93-V144 PolarHBondContact N-O 3.49Å; L93-V144 PolarHBondContact O-N 2.98Å; S95-V144 PolarHBondContact OG-N 3.07Å; P109-V144 HydrophobicContact CG-CB 4.34Å; P109-V144 HydrophobicContact CG-CG1 3.65Å; P109-V144 HydrophobicContact CG-CG2 3.69Å; V144-C146 PolarHBondContact O-N 3.04Å |
| 145 | C | 94.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126.9 | 168.5 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | C90 L91 L92 Y113 N147 H150 | C90-C145 HydrophobicContact CB-CB 4.31Å; L91-C145 PolarHBondContact N-SG 3.14Å; L91-C145 VanDerWaalsContact N-SG 3.45Å; L91-C145 CarbonylContact O-C 3.54Å; L91-C145 WeakPolarHBondContact O-CA 3.32Å; L92-C145 HydrophobicContact CD2-CB 4.02Å; Y113-C145 PolarHBondContact OH-O 3.37Å; Y113-C145 VanDerWaalsContact OH-O 3.11Å; C145-N147 PolarHBondContact SG-N 3.01Å; C145-H150 PolarHBondContact SG-ND1 2.76Å; C145-H150 VanDerWaalsContact SG-ND1 3.36Å |
| 146 | C | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -112.3 | 11.5 | 179.2 | -69.1 | 0 | 0 | 0 | 0 | 113.1 | L91 L93 L112 V144 P148 | L91-C146 HydrophobicContact CB-CB 4.49Å; L91-C146 HydrophobicContact CD2-CB 3.98Å; L91-C146 HydrophobicContact CG-CB 4.19Å; L91-C146 PolarHBondContact O-N 3.14Å; L93-C146 HydrophobicContact CD1-CB 3.84Å; L93-C146 HydrophobicContact CG-CB 4.35Å; L112-C146 HydrophobicContact CD1-CB 3.61Å; V144-C146 PolarHBondContact O-N 3.04Å; C146-P148 WeakPolarHBondContact O-CD 3.35Å | ||
| 147 | N | 96.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -70.5 | 115.5 | 177.3 | -177.2 | -23.3 | 0 | 0 | 0 | 109.1 | S88 P89 L91 C145 H149 H150 | S88-N147 PolarHBondContact OG-ND2 3.11Å; P89-N147 PolarHBondContact O-ND2 3.45Å; L91-N147 HydrophobicContact CB-CB 4.14Å; C145-N147 PolarHBondContact SG-N 3.01Å; N147-H149 PolarHBondContact O-N 2.89Å; N147-H149 VanDerWaalsContact O-N 3.15Å; N147-H149 PolarHBondContact OD1-N 2.79Å; N147-H150 HydrophobicContact CB-CB 4.27Å; N147-H150 PolarHBondContact ND2-NE2 2.83Å; N147-H150 WeakPolarHBondContact O-CB 3.31Å; N147-H150 PolarHBondContact O-N 2.89Å | ||
| 148 | P | 96.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -61.6 | -26.3 | -176.6 | -22.6 | 34.6 | 0 | 0 | 0 | 114 | L76 V80 Y113 F116 R117 C146 H150 | L76-P148 HydrophobicContact CD1-CG 4.23Å; V80-P148 HydrophobicContact CG2-CG 4.46Å; Y113-P148 HydrophobicContact CD1-CB 4.02Å; Y113-P148 HydrophobicContact CD1-CG 4.33Å; F116-P148 HydrophobicContact CB-CB 4.28Å; F116-P148 HydrophobicContact CB-CG 3.95Å; F116-P148 HydrophobicContact CD2-CG 4.04Å; F116-P148 HydrophobicContact CG-CG 4.41Å; R117-P148 VanDerWaalsContact CD-C 3.5Å; R117-P148 WeakPolarHBondContact CD-O 3.49Å; R117-P148 HydrophobicContact CG-CB 3.73Å; R117-P148 PolarHBondContact NH1-O 3.21Å; C146-P148 WeakPolarHBondContact O-CD 3.35Å; P148-H150 VanDerWaalsContact C-N 3.29Å; P148-H150 PolarHBondContact O-N 2.64Å |
| 149 | H | 95.5 | Very high | 87 | Confident | 22 Ų | 22 | 58 Ų | 58 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -85.1 | 2.8 | 179.6 | -69.4 | -73.9 | 0 | 0 | 0 | 114.1 | A79 G84 N147 | A79-H149 PolarHBondContact O-CD2 2.97Å; A79-H149 PolarHBondContact O-NE2 2.86Å; G84-H149 PolarHBondContact N-CE1 3.09Å; G84-H149 PolarHBondContact N-ND1 2.86Å; N147-H149 PolarHBondContact O-N 2.89Å; N147-H149 VanDerWaalsContact O-N 3.15Å; N147-H149 PolarHBondContact OD1-N 2.79Å |
| 150 | H | 96.6 | Very high | 85.5 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -94.9 | 3.4 | 170.3 | -71.9 | -175.5 | 0 | 0 | 0 | 113.3 | S88 P89 C90 L130 C133 C145 N147 P148 | S88-H150 PolarHBondContact O-CE1 3.22Å; S88-H150 PolarHBondContact O-NE2 3.49Å; P89-H150 PolarHBondContact O-CE1 3.36Å; C90-H150 PolarHBondContact N-CE1 3.31Å; C90-H150 PolarHBondContact SG-CE1 2.82Å; C90-H150 PolarHBondContact SG-ND1 3.36Å; L130-H150 PolarHBondContact N-O 2.88Å; C133-H150 HydrophobicContact CB-CB 3.93Å; C145-H150 PolarHBondContact SG-ND1 2.76Å; C145-H150 VanDerWaalsContact SG-ND1 3.36Å; N147-H150 HydrophobicContact CB-CB 4.27Å; N147-H150 PolarHBondContact ND2-NE2 2.83Å; N147-H150 WeakPolarHBondContact O-CB 3.31Å; N147-H150 PolarHBondContact O-N 2.89Å; P148-H150 VanDerWaalsContact C-N 3.29Å; P148-H150 PolarHBondContact O-N 2.64Å |
| 151 | M | 96.4 | Very high | 83.6 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.069 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 157.9 | 173.9 | -57.9 | -59.5 | -64.7 | 0 | 0 | 110 | Y113 R117 W118 L127 K128 R129 | Y113-M151 HydrophobicContact CD1-CG 4.48Å; Y113-M151 HydrophobicContact CD2-CG 4.36Å; Y113-M151 HydrophobicContact CE1-CG 3.84Å; Y113-M151 HydrophobicContact CE2-CG 3.69Å; Y113-M151 HydrophobicContact CE2-SD 4.47Å; Y113-M151 WeakPolarHBondContact OH-CG 3.46Å; R117-M151 PolarHBondContact NH1-O 3.19Å; W118-M151 HydrophobicContact CH2-CB 4.2Å; W118-M151 HydrophobicContact CZ3-CB 4.17Å; L127-M151 HydrophobicContact CB-CE 3.6Å; L127-M151 HydrophobicContact CD1-CE 4.31Å; K128-M151 VanDerWaalsContact C-CE 3.49Å; K128-M151 CarbonylContact O-C 3.59Å; K128-M151 WeakPolarHBondContact O-CA 3.28Å; R129-M151 HydrophobicContact CB-CE 4.2Å; R129-M151 HydrophobicContact CB-SD 3.84Å; R129-M151 HydrophobicContact CG-SD 3.99Å |
| 152 | S | 97.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.6 | 165.1 | 57 | 0 | 0 | 0 | 0 | 109 | L127 K128 G315 S317 | L127-S152 WeakPolarHBondContact CA-O 3.48Å; K128-S152 PolarHBondContact N-O 3.43Å; K128-S152 PolarHBondContact O-N 2.57Å; K128-S152 PolarHBondContact O-OG 3.35Å; S152-G315 WeakPolarHBondContact CA-O 3.5Å; S152-G315 WeakPolarHBondContact CB-O 3.48Å; S152-S317 WeakPolarHBondContact CB-OG 2.87Å; S152-S317 VanDerWaalsContact OG-CB 3.32Å; S152-S317 WeakPolarHBondContact OG-CB 3.49Å; S152-S317 PolarHBondContact OG-OG 2.67Å |
| 153 | R | 97 | Very high | 79.6 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 150 | 163.5 | -76.3 | -175.4 | 80.1 | 177.9 | 5.2 | 110.2 | W118 D120 E126 L127 G315 F316 S317 | W118-R153 HydrophobicContact CD2-CG 3.72Å; W118-R153 HydrophobicContact CE3-CG 4.09Å; W118-R153 HydrophobicContact CG-CG 4.13Å; W118-R153 HydrophobicContact CH2-CG 4.29Å; W118-R153 HydrophobicContact CZ2-CB 4.47Å; W118-R153 HydrophobicContact CZ2-CG 3.94Å; W118-R153 HydrophobicContact CZ3-CG 4.37Å; D120-R153 IonicContact OD1-NH1 3.28Å; D120-R153 PolarHBondContact OD1-NH1 3.12Å; D120-R153 IonicContact OD2-CZ 2.69Å; D120-R153 IonicContact OD2-NH1 2.81Å; D120-R153 PolarHBondContact OD2-NH1 3.49Å; D120-R153 IonicContact OD2-NH2 3.63Å; E126-R153 CarbonylContact O-C 3.6Å; E126-R153 VanDerWaalsContact O-CA 3.29Å; E126-R153 WeakPolarHBondContact O-CA 3.49Å; E126-R153 IonicContact OE2-CZ 2.64Å; E126-R153 IonicContact OE2-NE 3.44Å; E126-R153 IonicContact OE2-NH2 2.7Å; E126-R153 PolarHBondContact OE2-NH2 3.48Å; L127-R153 HydrophobicContact CD2-CG 3.75Å; R153-G315 PolarHBondContact N-O 3.13Å; R153-F316 HydrophobicContact CB-CD1 3.51Å; R153-F316 HydrophobicContact CB-CD2 4.03Å; R153-F316 HydrophobicContact CB-CE1 3.5Å; R153-F316 HydrophobicContact CB-CE2 4.01Å; R153-F316 HydrophobicContact CB-CG 3.79Å; R153-F316 HydrophobicContact CB-CZ 3.76Å; R153-F316 HydrophobicContact CG-CE1 4.37Å; R153-F316 HydrophobicContact CG-CE2 4.5Å; R153-F316 HydrophobicContact CG-CZ 4.24Å; R153-F316 CarbonylContact O-C 3.56Å; R153-F316 WeakPolarHBondContact O-CA 3.42Å; R153-S317 PolarHBondContact O-N 2.71Å |
| 154 | L | 95.6 | Very high | 77.6 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131.4 | 171.5 | -73.7 | 171.1 | 0 | 0 | 0 | 108.8 | E126 K128 E156 W283 F316 | E126-L154 PolarHBondContact O-N 3.14Å; K128-L154 HydrophobicContact CB-CD1 4.46Å; K128-L154 HydrophobicContact CB-CD2 3.57Å; K128-L154 HydrophobicContact CB-CG 3.91Å; K128-L154 HydrophobicContact CD-CD2 4.03Å; K128-L154 HydrophobicContact CG-CD2 4.37Å; L154-E156 PolarHBondContact O-N 3.39Å; L154-W283 HydrophobicContact CD2-CH2 3.81Å; L154-W283 HydrophobicContact CD2-CZ3 3.59Å; L154-F316 WeakPolarHBondContact O-CD1 3.3Å |
| 155 | C | 92.7 | Very high | 75.4 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 17% | 0.169 | 34% | 0.34 | C | S | . | . | trans | -70.7 | 113.5 | 168.7 | -165.3 | 0 | 0 | 0 | 0 | 107.7 | L157 S317 I318 | C155-L157 PolarHBondContact O-N 2.57Å; C155-S317 WeakPolarHBondContact CB-O 3.38Å; C155-S317 PolarHBondContact N-O 3.46Å; C155-I318 HydrophobicContact CB-CB 3.93Å; C155-I318 HydrophobicContact CB-CD1 4.4Å; C155-I318 HydrophobicContact CB-CG1 4.24Å | ||
| 156 | E | 80.2 | Confident | 72.9 | Confident | 154 Ų | 154 | 72.4 Ų | 72.4 | 72% | 0.72 | 38% | 0.378 | S | S | * | . | trans | -67.8 | 121.9 | 169 | -64.8 | -176.4 | 177.3 | 0 | 0 | 107.5 | L154 E158 | L154-E156 PolarHBondContact O-N 3.39Å; E156-E158 PolarHBondContact O-N 3.32Å; E156-E158 VanDerWaalsContact O-N 3.13Å | ||
| 157 | L | 73.4 | Confident | 70.1 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | trans | -70.2 | 105.4 | 165.8 | -67.9 | 169.8 | 0 | 0 | 0 | 105.1 | C155 S159 L299 H310 I318 | C155-L157 PolarHBondContact O-N 2.57Å; L157-S159 PolarHBondContact O-N 2.7Å; L157-S159 VanDerWaalsContact O-N 3.08Å; L157-L299 HydrophobicContact CD2-CD2 4.31Å; L157-H310 VanDerWaalsContact CD2-CE1 3.46Å; L157-H310 WeakPolarHBondContact CD2-CE1 3.44Å; L157-H310 WeakPolarHBondContact CD2-ND1 3.41Å; L157-I318 HydrophobicContact CD2-CD1 3.97Å | ||
| 158 | E | 58.6 | Low | 67.3 | Low | 180 Ų | 180 | 87.2 Ų | 87.2 | 84% | 0.841 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 121.9 | 173.5 | -78 | 179.8 | 171.5 | 0 | 0 | 107.6 | E156 | E156-E158 PolarHBondContact O-N 3.32Å; E156-E158 VanDerWaalsContact O-N 3.13Å |
| 159 | S | 44.1 | Very low | 64.6 | Low | 107 Ų | 107 | 96 Ų | 96 | 75% | 0.748 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 130.6 | 169.5 | -55.4 | 0 | 0 | 0 | 0 | 107.1 | L157 | L157-S159 PolarHBondContact O-N 2.7Å; L157-S159 VanDerWaalsContact O-N 3.08Å |
| 160 | P | 49.5 | Very low | 62.1 | Low | 99 Ų | 99 | 101 Ų | 101 | 64% | 0.643 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 137.1 | -179.8 | 19.9 | -31.1 | 0 | 0 | 0 | 108.2 | ||
| 161 | P | 43 | Very low | 59.5 | Low | 89 Ų | 89 | 111.6 Ų | 111.6 | 58% | 0.578 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 138.4 | -178.6 | 24.3 | -33.5 | 0 | 0 | 0 | 107.7 | ||
| 162 | P | 38.5 | Very low | 57 | Low | 57 Ų | 57 | 119 Ų | 119 | 37% | 0.37 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 149.5 | -173.8 | 20.8 | -32.8 | 0 | 0 | 0 | 110.4 | Y164 S165 | P162-Y164 HydrophobicContact CB-CD1 4.02Å; P162-Y164 HydrophobicContact CB-CE1 3.43Å; P162-Y164 VanDerWaalsContact CB-CE1 3.43Å; P162-Y164 HydrophobicContact CB-CE2 4.25Å; P162-Y164 HydrophobicContact CG-CD1 4.45Å; P162-Y164 HydrophobicContact CG-CD2 4.41Å; P162-Y164 HydrophobicContact CG-CE1 3.7Å; P162-Y164 HydrophobicContact CG-CE2 3.63Å; P162-Y164 WeakPolarHBondContact CG-OH 3.44Å; P162-Y164 PolarHBondContact O-N 3.29Å; P162-S165 PolarHBondContact O-N 3.15Å; P162-S165 PolarHBondContact O-OG 3.31Å |
| 163 | P | 48 | Very low | 53.8 | Low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -57.1 | -8.3 | -159.9 | 15.7 | -29.6 | 0 | 0 | 0 | 116.5 | ||
| 164 | Y | 49.4 | Very low | 51 | Low | 189 Ų | 189 | 131.3 Ų | 131.3 | 74% | 0.741 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -84.7 | -2 | 173.8 | 50.4 | -99.7 | 0 | 0 | 0 | 115.1 | P162 R166 | P162-Y164 HydrophobicContact CB-CD1 4.02Å; P162-Y164 HydrophobicContact CB-CE1 3.43Å; P162-Y164 VanDerWaalsContact CB-CE1 3.43Å; P162-Y164 HydrophobicContact CB-CE2 4.25Å; P162-Y164 HydrophobicContact CG-CD1 4.45Å; P162-Y164 HydrophobicContact CG-CD2 4.41Å; P162-Y164 HydrophobicContact CG-CE1 3.7Å; P162-Y164 HydrophobicContact CG-CE2 3.63Å; P162-Y164 WeakPolarHBondContact CG-OH 3.44Å; P162-Y164 PolarHBondContact O-N 3.29Å; Y164-R166 PolarHBondContact O-N 3.1Å |
| 165 | S | 45.1 | Very low | 48.3 | Very low | 67 Ų | 67 | 134.6 Ų | 134.6 | 47% | 0.469 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -81.4 | 7.7 | 172.6 | -53.4 | 0 | 0 | 0 | 0 | 114.2 | P162 Y167 | P162-S165 PolarHBondContact O-N 3.15Å; P162-S165 PolarHBondContact O-OG 3.31Å; S165-Y167 PolarHBondContact O-N 3.17Å; S165-Y167 VanDerWaalsContact O-N 3.12Å |
| 166 | R | 42.1 | Very low | 45.5 | Very low | 216 Ų | 216 | 140.9 Ų | 140.9 | 82% | 0.815 | 72% | 0.721 | S | S | * | * | trans | -69.1 | 108.3 | 163.7 | -70 | -156.9 | -169.7 | 172.8 | 7.1 | 108.4 | Y164 | Y164-R166 PolarHBondContact O-N 3.1Š| ||
| 167 | Y | 36.6 | Very low | 43.4 | Very low | 210 Ų | 210 | 138.8 Ų | 138.8 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -48.4 | 133 | 156.6 | -91.5 | -95.2 | 0 | 0 | 0 | 108.6 | S165 M169 | S165-Y167 PolarHBondContact O-N 3.17Å; S165-Y167 VanDerWaalsContact O-N 3.12Å; Y167-M169 PolarHBondContact O-N 2.95Å | ||
| 168 | P | 38 | Very low | 42 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | trans | -58 | 117.1 | 179.5 | -21.6 | 31.3 | 0 | 0 | 0 | 109.8 | D170 | P168-D170 HydrophobicContact CB-CB 4.34Å; P168-D170 PolarHBondContact O-N 3.17Å | ||
| 169 | M | 40.2 | Very low | 40.9 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 91% | 0.911 | 74% | 0.739 | S | S | * | * | trans | -75.5 | 65.5 | 162.9 | -78.1 | -74.9 | -72.8 | 0 | 0 | 108.1 | Y167 | Y167-M169 PolarHBondContact O-N 2.95Š| ||
| 170 | D | 41.3 | Very low | 40.4 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | trans | -116.3 | 55.5 | 176.3 | -74.4 | -32.6 | 0 | 0 | 0 | 110.3 | P168 | P168-D170 HydrophobicContact CB-CB 4.34Å; P168-D170 PolarHBondContact O-N 3.17Å | ||
| 171 | Y | 43.6 | Very low | 39.5 | Very low | 230 Ų | 230 | 138 Ų | 138 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -150.9 | 55.5 | 163.2 | -89.6 | -73.2 | 0 | 0 | 0 | 111.4 | ||
| 172 | L | 42.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | trans | -150.9 | 70.2 | 149.1 | -75.1 | -173.9 | 0 | 0 | 0 | 107.9 | P174 | L172-P174 WeakPolarHBondContact O-CD 3.46Š| ||
| 173 | K | 31 | Very low | 39 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 117.5 | 159.3 | -170.7 | 174.6 | -175.1 | 179.1 | 0 | 106.5 | ||
| 174 | P | 37.7 | Very low | 38.1 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 135.4 | 165.2 | 1.7 | 14.1 | 0 | 0 | 0 | 107.4 | L172 D176 | L172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-D176 PolarHBondContact O-N 3.39Å |
| 175 | P | 38.4 | Very low | 37.3 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 123.5 | 166 | 28 | -28.8 | 0 | 0 | 0 | 108.6 | ||
| 176 | D | 34.1 | Very low | 36.6 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 133.5 | 165.6 | -63.4 | -56.1 | 0 | 0 | 0 | 110.1 | P174 | P174-D176 PolarHBondContact O-N 3.39Š|
| 177 | S | 37.2 | Very low | 36.2 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -131.6 | 130.2 | 158.8 | 59.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 178 | P | 43.4 | Very low | 35.8 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -91.1 | 142.1 | -179.3 | 36.4 | -32.2 | 0 | 0 | 0 | 112.2 | ||||
| 179 | D | 34.4 | Very low | 35.5 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | 113.9 | 131.2 | 127 | -144.6 | 33.3 | 0 | 0 | 0 | 120.9 | |||||
| 180 | S | 34.8 | Very low | 35 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 57.5 | 120.7 | 154.6 | -63.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 181 | G | 31 | Very low | 34.5 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | 163.2 | -169.3 | 43.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 182 | P | 41.1 | Very low | 33.8 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | -119.2 | 171.3 | -111.3 | 40.9 | -33.8 | 0 | 0 | 0 | 118.5 | |||||
| 183 | S | 28.5 | Very low | 33.2 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 69.1 | 139.5 | 155.6 | -154.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 184 | S | 30.5 | Very low | 33.2 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | -170.5 | 150.7 | 51.4 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 185 | S | 31.7 | Very low | 33 | Very low | 102 Ų | 102 | 121 Ų | 121 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 39.7 | 128.5 | 144.9 | -1.7 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 186 | E | 30.9 | Very low | 32.9 | Very low | 178 Ų | 178 | 122.6 Ų | 122.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | 80.4 | 122.3 | 119.7 | -72 | -168.8 | 148.5 | 0 | 0 | 124.4 | |||||
| 187 | T | 34.2 | Very low | 32.8 | Very low | 138 Ų | 138 | 118 Ų | 118 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | 30.4 | 136.6 | 140.8 | 32.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 188 | G | 28.4 | Very low | 32.5 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 160.6 | 87.6 | 150 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 189 | G | 29.9 | Very low | 32.2 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -69 | 142.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 190 | T | 30.1 | Very low | 32.2 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -113.3 | 110 | 167.3 | 36.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 191 | T | 30.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 120 Ų | 120 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -69.6 | 123.5 | 170.5 | -50.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 192 | Y | 29.3 | Very low | 32.7 | Very low | 215 Ų | 215 | 124.6 Ų | 124.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -115.7 | 100.9 | 155.4 | -72.1 | -77.5 | 0 | 0 | 0 | 108 | ||||
| 193 | S | 29.9 | Very low | 32.4 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 129 | 170.2 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 194 | A | 31.5 | Very low | 33.1 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -110 | 148.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 195 | P | 33.2 | Very low | 33.2 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -81.6 | 150 | -147.2 | 31.3 | -35.7 | 0 | 0 | 0 | 114.9 | ||||
| 196 | V | 37.2 | Very low | 33.7 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 95% | 0.945 | 80% | 0.803 | S | S | * | * | trans | -71 | 136 | 168.3 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 197 | G | 30.3 | Very low | 34 | Very low | 61 Ų | 61 | 127.5 Ų | 127.5 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | trans | 155.6 | 121.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 198 | L | 31.5 | Very low | 34.6 | Very low | 179 Ų | 179 | 125.1 Ų | 125.1 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | cis | -148.1 | 145 | 17.4 | -80.2 | 154.9 | 0 | 0 | 0 | 108.4 | ||||
| 199 | S | 37.9 | Very low | 35.5 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 154 | 169.4 | -163 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 200 | D | 34.2 | Very low | 36.8 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | 82.8 | 102.7 | 149.6 | -113.7 | -20.3 | 0 | 0 | 0 | 119.6 | ||||
| 201 | S | 32.4 | Very low | 39.4 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -151.6 | 78.4 | 145.5 | -62.4 | 0 | 0 | 0 | 0 | 108.2 | A203 | S201-A203 PolarHBondContact O-N 3.27Š| ||
| 202 | L | 44.3 | Very low | 42.3 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -59 | 95.1 | 150.4 | -73.4 | 170.3 | 0 | 0 | 0 | 107.8 | ||||
| 203 | A | 33.2 | Very low | 45.4 | Very low | 81 Ų | 81 | 114.8 Ų | 114.8 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | trans | -127.9 | 107 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | S201 Q205 | S201-A203 PolarHBondContact O-N 3.27Å; A203-Q205 PolarHBondContact O-N 3.03Å | ||
| 204 | L | 43.8 | Very low | 48.5 | Very low | 173 Ų | 173 | 109.5 Ų | 109.5 | 91% | 0.906 | 68% | 0.675 | S | S | * | * | trans | -16 | 115.3 | 155.8 | -80.2 | 141.4 | 0 | 0 | 0 | 113.6 | ||||
| 205 | Q | 32.6 | Very low | 51.6 | Low | 164 Ų | 164 | 106 Ų | 106 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | trans | -136.8 | 80.2 | 151 | -155.8 | 165.7 | 12.8 | 0 | 0 | 109.3 | A203 S207 | A203-Q205 PolarHBondContact O-N 3.03Å; Q205-S207 PolarHBondContact O-N 2.86Å | ||
| 206 | E | 41.9 | Very low | 54.7 | Low | 192 Ų | 192 | 99.8 Ų | 99.8 | 90% | 0.897 | 60% | 0.604 | S | S | * | * | trans | -62.6 | 94.3 | 141.9 | -73.1 | -164.4 | 156.1 | 0 | 0 | 107.1 | ||||
| 207 | S | 38 | Very low | 57.6 | Low | 68 Ų | 68 | 92.5 Ų | 92.5 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | trans | -118.6 | 107.2 | 158.5 | 58.6 | 0 | 0 | 0 | 0 | 107.3 | Q205 E209 | Q205-S207 PolarHBondContact O-N 2.86Å; S207-E209 PolarHBondContact O-N 2.89Å | ||
| 208 | G | 46.5 | Very low | 60.9 | Low | 88 Ų | 88 | 89.6 Ų | 89.6 | 91% | 0.907 | 53% | 0.53 | S | S | * | . | trans | -67.7 | 60.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 209 | E | 48.2 | Very low | 64.1 | Low | 157 Ų | 157 | 83.8 Ų | 83.8 | 73% | 0.734 | 50% | 0.496 | S | S | * | . | trans | -76.3 | 135.3 | 158.8 | -74.7 | -158.6 | 153.1 | 0 | 0 | 108.9 | S207 A211 | S207-E209 PolarHBondContact O-N 2.89Å; E209-A211 PolarHBondContact O-N 2.92Å | ||
| 210 | P | 56.6 | Low | 66.9 | Low | 84 Ų | 84 | 78.5 Ų | 78.5 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | trans | -55.7 | 118.9 | 171.4 | -17.5 | 27.5 | 0 | 0 | 0 | 108.9 | H212 Q232 | P210-H212 PolarHBondContact O-N 3.17Å; P210-Q232 HydrophobicContact CB-CG 4.23Å; P210-Q232 PolarHBondContact O-NE2 2.98Å | ||
| 211 | A | 83.6 | Confident | 69.9 | Low | 89 Ų | 89 | 75.6 Ų | 75.6 | 74% | 0.736 | 44% | 0.441 | S | S | * | . | trans | -58.6 | 115.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | E209 | E209-A211 PolarHBondContact O-N 2.92Š| ||
| 212 | H | 91.6 | Very high | 73 | Confident | 58 Ų | 58 | 77.8 Ų | 77.8 | 27% | 0.269 | 44% | 0.436 | S | S | . | . | trans | -60.6 | 140.5 | 171.7 | 59.1 | -85.4 | 0 | 0 | 0 | 108.7 | P210 V215 V231 Q232 N376 | P210-H212 PolarHBondContact O-N 3.17Å; H212-V215 VanDerWaalsContact CD2-CG2 3.41Å; H212-V215 WeakPolarHBondContact CD2-CG2 3.34Å; H212-V215 WeakPolarHBondContact NE2-CG2 3.21Å; H212-V231 CarbonylContact C-O 3.52Å; H212-V231 WeakPolarHBondContact CA-O 3.28Å; H212-V231 VanDerWaalsContact CB-O 3.27Å; H212-V231 WeakPolarHBondContact CB-O 3.42Å; H212-Q232 HydrophobicContact CB-CG 4.19Å; H212-N376 PolarHBondContact CD2-ND2 2.98Å; H212-N376 PolarHBondContact NE2-ND2 2.91Å; H212-N376 PolarHBondContact O-ND2 2.95Å | ||
| 213 | W | 94.4 | Very high | 75.4 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 3% | 0.034 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -93.3 | -18.3 | -177.3 | 62.5 | -93 | 0 | 0 | 0 | 112.6 | V231 E233 L275 R277 V282 F375 N376 | W213-V231 HydrophobicContact CZ2-CB 4.32Å; W213-V231 HydrophobicContact CZ2-CG1 3.74Å; W213-V231 PolarHBondContact N-O 2.96Å; W213-V231 PolarHBondContact NE1-O 2.99Å; W213-E233 PolarHBondContact NE1-O 2.83Å; W213-L275 HydrophobicContact CH2-CD2 3.47Å; W213-L275 VanDerWaalsContact CH2-CD2 3.47Å; W213-L275 HydrophobicContact CH2-CG 3.78Å; W213-L275 HydrophobicContact CZ2-CD2 4.28Å; W213-L275 HydrophobicContact CZ3-CD2 4.13Å; W213-R277 HydrophobicContact CD2-CB 4.06Å; W213-R277 HydrophobicContact CD2-CG 4.45Å; W213-R277 HydrophobicContact CE3-CB 4.08Å; W213-R277 HydrophobicContact CE3-CG 4.38Å; W213-R277 HydrophobicContact CH2-CB 4.02Å; W213-R277 HydrophobicContact CZ2-CB 4.04Å; W213-R277 HydrophobicContact CZ3-CB 4.04Å; W213-V282 HydrophobicContact CE3-CG2 4.48Å; W213-V282 HydrophobicContact CH2-CG1 3.94Å; W213-V282 HydrophobicContact CZ3-CG1 3.77Å; W213-V282 HydrophobicContact CZ3-CG2 3.85Å; W213-F375 HydrophobicContact CE3-CD1 4.15Å; W213-F375 HydrophobicContact CE3-CE1 4.39Å; W213-F375 AromaticContact CZ3-CD1 4Å; W213-F375 HydrophobicContact CZ3-CD1 4Å; W213-F375 AromaticContact CZ3-CE1 3.77Å; W213-F375 HydrophobicContact CZ3-CE1 3.77Å; W213-N376 PolarHBondContact O-N 2.71Å; W213-N376 VanDerWaalsContact O-N 3.16Å |
| 214 | C | 95.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 165.6 | 167.9 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | V231 V373 I374 F375 | C214-V231 PolarHBondContact O-N 3.35Å; C214-V231 WeakPolarHBondContact SG-CG2 3.29Å; C214-V373 HydrophobicContact CB-CG1 4.13Å; C214-I374 CarbonylContact C-O 3.56Å; C214-I374 WeakPolarHBondContact CA-O 3.44Å; C214-I374 VanDerWaalsContact CB-O 3.27Å; C214-I374 WeakPolarHBondContact CB-O 3.49Å; C214-F375 HydrophobicContact CB-CD1 3.6Å; C214-F375 HydrophobicContact CB-CE1 3.97Å |
| 215 | V | 96.8 | Very high | 81 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.5 | 171.5 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | H212 L228 Y229 I374 | H212-V215 VanDerWaalsContact CD2-CG2 3.41Å; H212-V215 WeakPolarHBondContact CD2-CG2 3.34Å; H212-V215 WeakPolarHBondContact NE2-CG2 3.21Å; V215-L228 HydrophobicContact CG1-CB 3.63Å; V215-L228 HydrophobicContact CG1-CD1 4.13Å; V215-L228 HydrophobicContact CG1-CD2 4.02Å; V215-L228 HydrophobicContact CG1-CG 4.12Å; V215-Y229 WeakPolarHBondContact CA-O 3.3Å; V215-I374 PolarHBondContact N-O 3.45Å; V215-I374 PolarHBondContact O-N 2.96Å |
| 216 | V | 98.3 | Very high | 84 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.7 | 178.5 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | Y229 V231 L236 I238 F248 L371 E372 V373 | V216-Y229 PolarHBondContact N-O 2.84Å; V216-Y229 PolarHBondContact O-N 2.92Å; V216-V231 HydrophobicContact CG2-CG2 4.09Å; V216-L236 HydrophobicContact CG2-CD2 4.1Å; V216-I238 HydrophobicContact CG1-CD1 4.09Å; V216-I238 HydrophobicContact CG2-CD1 4.35Å; V216-F248 HydrophobicContact CB-CD1 4.33Å; V216-F248 HydrophobicContact CB-CE1 4.33Å; V216-F248 HydrophobicContact CG1-CD1 4.06Å; V216-F248 HydrophobicContact CG1-CE1 3.98Å; V216-L371 HydrophobicContact CG1-CB 4.49Å; V216-L371 HydrophobicContact CG1-CD2 3.97Å; V216-E372 WeakPolarHBondContact CA-O 3.16Å; V216-V373 HydrophobicContact CG1-CG2 4.38Å; V216-V373 HydrophobicContact CG2-CG1 4.33Å; V216-V373 HydrophobicContact CG2-CG2 4.33Å |
| 217 | A | 98.2 | Very high | 86.5 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L228 L371 E372 | A217-L228 HydrophobicContact CB-CD2 3.6Å; A217-L371 VanDerWaalsContact O-CA 3.3Å; A217-L371 WeakPolarHBondContact O-CA 3.3Å; A217-E372 HydrophobicContact CB-CB 4.3Å; A217-E372 PolarHBondContact N-O 3.41Å; A217-E372 PolarHBondContact O-N 2.8Å |
| 218 | Y | 98.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.9 | 173.2 | 176.7 | -114.5 | 0 | 0 | 0 | 110.9 | E220 V225 L250 L253 R266 C369 W370 L371 | Y218-E220 HydrophobicContact CE1-CG 3.74Å; Y218-E220 WeakPolarHBondContact CE1-OE1 3.3Å; Y218-E220 PolarHBondContact OH-OE1 3.3Å; Y218-V225 HydrophobicContact CD1-CB 3.74Å; Y218-V225 HydrophobicContact CD1-CG1 4.02Å; Y218-V225 HydrophobicContact CE1-CB 4.03Å; Y218-V225 HydrophobicContact CE1-CG1 4.11Å; Y218-V225 PolarHBondContact O-N 3.39Å; Y218-L250 HydrophobicContact CD1-CD2 4.24Å; Y218-L250 HydrophobicContact CD2-CD1 4.02Å; Y218-L250 HydrophobicContact CD2-CD2 3.89Å; Y218-L250 HydrophobicContact CE2-CD1 3.98Å; Y218-L250 HydrophobicContact CE2-CD2 4.47Å; Y218-L250 HydrophobicContact CG-CD2 3.75Å; Y218-L253 HydrophobicContact CD1-CD1 3.5Å; Y218-L253 HydrophobicContact CE1-CD1 4.28Å; Y218-L253 HydrophobicContact CG-CD1 4.11Å; Y218-R266 VanDerWaalsContact CE1-NH1 3.32Å; Y218-R266 PolarHBondContact OH-NH1 3.39Å; Y218-R266 VanDerWaalsContact OH-NH1 3.15Å; Y218-C369 HydrophobicContact CE2-CB 4.03Å; Y218-C369 PolarHBondContact OH-SG 2.89Å; Y218-W370 WeakPolarHBondContact CD2-O 3.24Å; Y218-L371 HydrophobicContact CD2-CD2 3.78Å; Y218-L371 HydrophobicContact CG-CD2 4.38Å |
| 219 | W | 98.5 | Very high | 91.7 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.4 | -174.5 | -62.1 | 87.9 | 0 | 0 | 0 | 110.9 | T223 R224 C369 W370 | W219-T223 WeakPolarHBondContact CA-O 3.5Å; W219-R224 HydrophobicContact CD2-CB 4.08Å; W219-R224 HydrophobicContact CD2-CG 4.44Å; W219-R224 HydrophobicContact CE3-CB 3.76Å; W219-R224 VanDerWaalsContact CE3-N 3.27Å; W219-R224 HydrophobicContact CH2-CB 3.87Å; W219-R224 HydrophobicContact CH2-CG 4.48Å; W219-R224 HydrophobicContact CZ2-CB 4.18Å; W219-R224 HydrophobicContact CZ2-CG 4.34Å; W219-R224 HydrophobicContact CZ3-CB 3.65Å; W219-C369 WeakPolarHBondContact O-CA 3.44Å; W219-W370 HydrophobicContact CB-CD2 3.67Å; W219-W370 HydrophobicContact CB-CE3 4.35Å; W219-W370 HydrophobicContact CB-CG 4.04Å; W219-W370 HydrophobicContact CB-CH2 4.21Å; W219-W370 HydrophobicContact CB-CZ2 3.51Å; W219-W370 VanDerWaalsContact CB-NE1 3.29Å; W219-W370 AromaticContact CD1-CE3 3.93Å; W219-W370 AromaticContact CD1-CH2 3.59Å; W219-W370 AromaticContact CD1-CZ2 3.81Å; W219-W370 AromaticContact CD1-CZ3 3.68Å; W219-W370 AromaticContact CD2-CH2 3.84Å; W219-W370 HydrophobicContact CD2-CH2 3.84Å; W219-W370 AromaticContact CD2-CZ2 3.65Å; W219-W370 HydrophobicContact CD2-CZ2 3.65Å; W219-W370 AromaticContact CE2-CH2 3.95Å; W219-W370 HydrophobicContact CE3-CZ2 4.07Å; W219-W370 HydrophobicContact CG-CD2 4.07Å; W219-W370 AromaticContact CG-CE2 3.62Å; W219-W370 HydrophobicContact CG-CE3 4.29Å; W219-W370 AromaticContact CG-CH2 3.65Å; W219-W370 HydrophobicContact CG-CH2 3.65Å; W219-W370 AromaticContact CG-CZ2 3.39Å; W219-W370 HydrophobicContact CG-CZ2 3.39Å; W219-W370 HydrophobicContact CG-CZ3 4.12Å; W219-W370 PolarHBondContact N-O 3.37Å; W219-W370 AromaticContact NE1-CH2 3.75Å; W219-W370 AromaticContact NE1-CZ3 3.99Å; W219-W370 PolarHBondContact O-N 3.46Å |
| 220 | E | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 108.8 | 168.8 | -68 | 176.9 | 179.7 | 0 | 0 | 108.1 | Y218 K222 T223 V225 S255 N257 V262 R266 P368 | Y218-E220 HydrophobicContact CE1-CG 3.74Å; Y218-E220 WeakPolarHBondContact CE1-OE1 3.3Å; Y218-E220 PolarHBondContact OH-OE1 3.3Å; E220-K222 PolarHBondContact O-N 3.45Å; E220-T223 PolarHBondContact N-O 2.91Å; E220-T223 PolarHBondContact O-N 3.44Å; E220-V225 HydrophobicContact CB-CG2 3.97Å; E220-V225 HydrophobicContact CG-CG2 3.82Å; E220-S255 WeakPolarHBondContact OE1-CB 3.5Å; E220-S255 PolarHBondContact OE1-OG 3.41Å; E220-S255 WeakPolarHBondContact OE2-CB 3.33Å; E220-S255 PolarHBondContact OE2-OG 2.95Å; E220-N257 WeakPolarHBondContact OE2-CB 3.07Å; E220-V262 HydrophobicContact CB-CG1 4.06Å; E220-V262 HydrophobicContact CG-CG1 3.8Å; E220-R266 VanDerWaalsContact OE1-CD 3.28Å; E220-R266 WeakPolarHBondContact OE1-CD 3.41Å; E220-R266 IonicContact OE1-CZ 2.73Å; E220-R266 IonicContact OE1-NE 3.76Å; E220-R266 IonicContact OE1-NH1 3.56Å; E220-R266 PolarHBondContact OE1-NH1 3.45Å; E220-P368 VanDerWaalsContact CA-O 3.26Å; E220-P368 WeakPolarHBondContact CA-O 3.07Å |
| 221 | E | 96.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -111.5 | -171 | -58.3 | 168.9 | 154.2 | 0 | 0 | 110.9 | N257 V262 S365 C367 P368 W370 | E221-N257 PolarHBondContact OE2-ND2 3.28Å; E221-V262 HydrophobicContact CG-CG2 4.07Å; E221-S365 CarbonylContact C-O 3.6Å; E221-S365 VanDerWaalsContact CA-O 3.25Å; E221-S365 WeakPolarHBondContact CA-O 3.17Å; E221-S365 WeakPolarHBondContact O-CA 3.01Å; E221-C367 VanDerWaalsContact CA-O 3.28Å; E221-C367 WeakPolarHBondContact CA-O 3.41Å; E221-C367 PolarHBondContact N-O 3.17Å; E221-P368 PolarHBondContact N-O 3.42Å; E221-W370 PolarHBondContact O-NE1 3.5Å |
| 222 | K | 96.2 | Very high | 96.4 | Very high | 163 Ų | 163 | 56.5 Ų | 56.5 | 71% | 0.709 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4.5 | 179.7 | -69.3 | 174.3 | -177.8 | -176.3 | 0 | 113.6 | E220 | E220-K222 PolarHBondContact O-N 3.45Š|
| 223 | T | 96.5 | Very high | 96.5 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 53% | 0.534 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.4 | -169.1 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | W219 E220 | W219-T223 WeakPolarHBondContact CA-O 3.5Å; E220-T223 PolarHBondContact N-O 2.91Å; E220-T223 PolarHBondContact O-N 3.44Å |
| 224 | R | 96.9 | Very high | 96.5 | Very high | 131 Ų | 131 | 63.3 Ų | 63.3 | 49% | 0.494 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131.2 | 172.7 | -172.7 | 172.8 | 62.3 | 92.2 | -3.8 | 109.4 | W219 G226 | W219-R224 HydrophobicContact CD2-CB 4.08Å; W219-R224 HydrophobicContact CD2-CG 4.44Å; W219-R224 HydrophobicContact CE3-CB 3.76Å; W219-R224 VanDerWaalsContact CE3-N 3.27Å; W219-R224 HydrophobicContact CH2-CB 3.87Å; W219-R224 HydrophobicContact CH2-CG 4.48Å; W219-R224 HydrophobicContact CZ2-CB 4.18Å; W219-R224 HydrophobicContact CZ2-CG 4.34Å; W219-R224 HydrophobicContact CZ3-CB 3.65Å; R224-G226 PolarHBondContact NH1-O 2.88Å |
| 225 | V | 97.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 64.9 Ų | 64.9 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | trans | -118.8 | 121.8 | -177.6 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | Y218 E220 L253 C254 | Y218-V225 HydrophobicContact CD1-CB 3.74Å; Y218-V225 HydrophobicContact CD1-CG1 4.02Å; Y218-V225 HydrophobicContact CE1-CB 4.03Å; Y218-V225 HydrophobicContact CE1-CG1 4.11Å; Y218-V225 PolarHBondContact O-N 3.39Å; E220-V225 HydrophobicContact CB-CG2 3.97Å; E220-V225 HydrophobicContact CG-CG2 3.82Å; V225-L253 HydrophobicContact CG1-CB 4.01Å; V225-L253 HydrophobicContact CG1-CD1 4.45Å; V225-C254 WeakPolarHBondContact CG1-O 3.22Å | ||
| 226 | G | 95.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 64.6 Ų | 64.6 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 80.8 | -175.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R224 | R224-G226 PolarHBondContact NH1-O 2.88Š|
| 227 | R | 94.7 | Very high | 96.3 | Very high | 221 Ų | 221 | 64.8 Ų | 64.8 | 83% | 0.834 | 32% | 0.318 | S | S | * | . | trans | -84.8 | 164.3 | 177.3 | -63.3 | -178.4 | -178.3 | 179.8 | -0.1 | 110.8 | ||||
| 228 | L | 96 | Very high | 96.3 | Very high | 94 Ų | 94 | 64.7 Ų | 64.7 | 49% | 0.492 | 32% | 0.317 | S | S | . | . | trans | -65.1 | 137.3 | 166.9 | -66.7 | 178.1 | 0 | 0 | 0 | 109.6 | V215 A217 | V215-L228 HydrophobicContact CG1-CB 3.63Å; V215-L228 HydrophobicContact CG1-CD1 4.13Å; V215-L228 HydrophobicContact CG1-CD2 4.02Å; V215-L228 HydrophobicContact CG1-CG 4.12Å; A217-L228 HydrophobicContact CB-CD2 3.6Å | ||
| 229 | Y | 96.6 | Very high | 96.3 | Very high | 76 Ų | 76 | 65.1 Ų | 65.1 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 108.1 | 178.8 | -168.3 | -74.2 | 0 | 0 | 0 | 109.6 | V215 V216 V231 L236 F248 | V215-Y229 WeakPolarHBondContact CA-O 3.3Å; V216-Y229 PolarHBondContact N-O 2.84Å; V216-Y229 PolarHBondContact O-N 2.92Å; Y229-V231 HydrophobicContact CD1-CG2 3.99Å; Y229-V231 HydrophobicContact CE1-CG2 4.34Å; Y229-L236 HydrophobicContact CD1-CD1 4.39Å; Y229-L236 HydrophobicContact CD1-CD2 3.98Å; Y229-L236 HydrophobicContact CE1-CD1 3.61Å; Y229-L236 HydrophobicContact CE1-CD2 3.99Å; Y229-L236 HydrophobicContact CE1-CG 4.47Å; Y229-F248 HydrophobicContact CD1-CB 4.48Å; Y229-F248 HydrophobicContact CD2-CB 3.87Å; Y229-F248 HydrophobicContact CD2-CD1 4.24Å; Y229-F248 AromaticContact CD2-CD2 3.65Å; Y229-F248 HydrophobicContact CD2-CD2 3.65Å; Y229-F248 HydrophobicContact CD2-CE2 4.21Å; Y229-F248 AromaticContact CD2-CG 3.67Å; Y229-F248 HydrophobicContact CD2-CG 3.67Å; Y229-F248 HydrophobicContact CE2-CB 3.95Å; Y229-F248 HydrophobicContact CE2-CD2 4.25Å; Y229-F248 HydrophobicContact CE2-CG 4.23Å; Y229-F248 HydrophobicContact CG-CB 4.15Å; Y229-F248 HydrophobicContact CG-CD1 4.04Å; Y229-F248 HydrophobicContact CG-CD2 4.27Å; Y229-F248 HydrophobicContact CG-CE1 4.5Å; Y229-F248 AromaticContact CG-CG 3.92Å; Y229-F248 HydrophobicContact CG-CG 3.92Å |
| 230 | S | 96.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 66 Ų | 66 | 46% | 0.462 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.6 | 178.3 | -56 | 0 | 0 | 0 | 0 | 111.1 | ||
| 231 | V | 96.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115 | -173.7 | -164.1 | 0 | 0 | 0 | 0 | 111.1 | H212 W213 C214 V216 Y229 L236 | H212-V231 CarbonylContact C-O 3.52Å; H212-V231 WeakPolarHBondContact CA-O 3.28Å; H212-V231 VanDerWaalsContact CB-O 3.27Å; H212-V231 WeakPolarHBondContact CB-O 3.42Å; W213-V231 HydrophobicContact CZ2-CB 4.32Å; W213-V231 HydrophobicContact CZ2-CG1 3.74Å; W213-V231 PolarHBondContact N-O 2.96Å; W213-V231 PolarHBondContact NE1-O 2.99Å; C214-V231 PolarHBondContact O-N 3.35Å; C214-V231 WeakPolarHBondContact SG-CG2 3.29Å; V216-V231 HydrophobicContact CG2-CG2 4.09Å; Y229-V231 HydrophobicContact CD1-CG2 3.99Å; Y229-V231 HydrophobicContact CE1-CG2 4.34Å; V231-L236 HydrophobicContact CG1-CB 3.92Å; V231-L236 HydrophobicContact CG1-CD2 4.34Å; V231-L236 HydrophobicContact CG2-CD2 3.59Å |
| 232 | Q | 94.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | trans | -99.1 | -46.4 | 175.8 | -67.8 | 174.6 | -10.3 | 0 | 0 | 111.6 | P210 H212 | P210-Q232 HydrophobicContact CB-CG 4.23Å; P210-Q232 PolarHBondContact O-NE2 2.98Å; H212-Q232 HydrophobicContact CB-CG 4.19Å | ||
| 233 | E | 94.3 | Very high | 94.5 | Very high | 134 Ų | 134 | 65.3 Ų | 65.3 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -61.1 | 146.6 | 178.9 | -67.1 | -58.5 | 145.4 | 0 | 0 | 112.3 | W213 S235 | W213-E233 PolarHBondContact NE1-O 2.83Å; E233-S235 PolarHBondContact O-N 2.84Å |
| 234 | P | 93.9 | Very high | 93.6 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -65.4 | -11.8 | -177.5 | 28 | -35.9 | 0 | 0 | 0 | 113.5 | T276 R277 | P234-T276 CarbonylContact O-C 3.42Å; P234-T276 WeakPolarHBondContact O-CA 3.5Å; P234-R277 PolarHBondContact O-N 2.85Å |
| 235 | S | 95.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.3 | 177.3 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | E233 Q274 L275 T276 | E233-S235 PolarHBondContact O-N 2.84Å; S235-Q274 WeakPolarHBondContact OG-CG 3.18Å; S235-L275 CarbonylContact C-O 3.59Å; S235-L275 VanDerWaalsContact CA-O 3.24Å; S235-L275 WeakPolarHBondContact CA-O 3.48Å; S235-L275 PolarHBondContact OG-O 3.03Å; S235-T276 PolarHBondContact OG-OG1 2.87Å |
| 236 | L | 96.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 125.8 | 176.5 | 174.7 | 65.6 | 0 | 0 | 0 | 110.1 | V216 Y229 V231 I238 F248 Q274 L275 | V216-L236 HydrophobicContact CG2-CD2 4.1Å; Y229-L236 HydrophobicContact CD1-CD1 4.39Å; Y229-L236 HydrophobicContact CD1-CD2 3.98Å; Y229-L236 HydrophobicContact CE1-CD1 3.61Å; Y229-L236 HydrophobicContact CE1-CD2 3.99Å; Y229-L236 HydrophobicContact CE1-CG 4.47Å; V231-L236 HydrophobicContact CG1-CB 3.92Å; V231-L236 HydrophobicContact CG1-CD2 4.34Å; V231-L236 HydrophobicContact CG2-CD2 3.59Å; L236-I238 HydrophobicContact CD2-CD1 3.98Å; L236-I238 HydrophobicContact CD2-CG1 3.75Å; L236-I238 HydrophobicContact CG-CD1 4.5Å; L236-I238 HydrophobicContact CG-CG1 3.85Å; L236-F248 HydrophobicContact CD1-CB 4.3Å; L236-F248 HydrophobicContact CD2-CB 4.41Å; L236-Q274 CarbonylContact O-C 3.45Å; L236-Q274 WeakPolarHBondContact O-CA 3.4Å; L236-L275 PolarHBondContact N-O 2.91Å; L236-L275 PolarHBondContact O-N 3.39Å |
| 237 | D | 96.4 | Very high | 92 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.027 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129.8 | 165.9 | -67 | -40.3 | 0 | 0 | 0 | 109.4 | R87 F239 G247 F248 Q274 R287 | R87-D237 IonicContact NH2-OD2 3.41Å; R87-D237 PolarHBondContact NH2-OD2 2.72Å; D237-F239 HydrophobicContact CB-CD1 4.09Å; D237-F239 HydrophobicContact CB-CE1 4.35Å; D237-G247 CarbonylContact O-C 3.59Å; D237-G247 WeakPolarHBondContact O-CA 3.33Å; D237-F248 PolarHBondContact O-N 2.85Å; D237-Q274 WeakPolarHBondContact OD1-CB 3.47Å; D237-Q274 WeakPolarHBondContact OD1-CG 3.47Å; D237-Q274 PolarHBondContact OD1-NE2 3.02Å; D237-R287 IonicContact OD1-NH1 2.82Å; D237-R287 PolarHBondContact OD1-NH1 3.27Å; D237-R287 IonicContact OD2-NH1 2.81Å; D237-R287 PolarHBondContact OD2-NH1 3.41Å; D237-R287 VanDerWaalsContact OD2-NH1 3.15Å |
| 238 | I | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 115.7 | 176.2 | -50.8 | 172.1 | 0 | 0 | 0 | 107.9 | V216 L236 F248 L250 G272 I273 L371 | V216-I238 HydrophobicContact CG1-CD1 4.09Å; V216-I238 HydrophobicContact CG2-CD1 4.35Å; L236-I238 HydrophobicContact CD2-CD1 3.98Å; L236-I238 HydrophobicContact CD2-CG1 3.75Å; L236-I238 HydrophobicContact CG-CD1 4.5Å; L236-I238 HydrophobicContact CG-CG1 3.85Å; I238-F248 WeakPolarHBondContact CA-O 3.46Å; I238-F248 HydrophobicContact CG1-CB 4.18Å; I238-F248 HydrophobicContact CG2-CB 4.26Å; I238-F248 HydrophobicContact CG2-CD1 4.16Å; I238-F248 HydrophobicContact CG2-CG 4.43Å; I238-L250 HydrophobicContact CG2-CD1 3.97Å; I238-L250 HydrophobicContact CG2-CD2 4.09Å; I238-L250 HydrophobicContact CG2-CG 3.99Å; I238-G272 CarbonylContact O-C 3.52Å; I238-G272 VanDerWaalsContact O-CA 3.3Å; I238-G272 WeakPolarHBondContact O-CA 3.31Å; I238-I273 HydrophobicContact CB-CG1 3.98Å; I238-I273 HydrophobicContact CD1-CD1 4.21Å; I238-I273 HydrophobicContact CD1-CG1 4.32Å; I238-I273 HydrophobicContact CG1-CG1 4.47Å; I238-I273 PolarHBondContact N-O 2.9Å; I238-I273 PolarHBondContact O-N 2.96Å; I238-L371 HydrophobicContact CD1-CD1 3.88Å; I238-L371 HydrophobicContact CG2-CD1 4.03Å; I238-L371 HydrophobicContact CG2-CD2 4.39Å |
| 239 | F | 97.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 165.2 | -165.9 | 58.5 | -89.9 | 0 | 0 | 0 | 112.3 | D237 L242 F248 C249 L250 | D237-F239 HydrophobicContact CB-CD1 4.09Å; D237-F239 HydrophobicContact CB-CE1 4.35Å; F239-L242 HydrophobicContact CB-CB 4.13Å; F239-L242 HydrophobicContact CD1-CB 4.13Å; F239-L242 HydrophobicContact CD1-CD2 3.79Å; F239-L242 HydrophobicContact CD2-CB 3.26Å; F239-L242 HydrophobicContact CD2-CD2 4.47Å; F239-L242 HydrophobicContact CD2-CG 4.48Å; F239-L242 HydrophobicContact CE1-CB 4.38Å; F239-L242 HydrophobicContact CE1-CD2 4.05Å; F239-L242 HydrophobicContact CE2-CB 3.56Å; F239-L242 HydrophobicContact CG-CB 3.58Å; F239-L242 HydrophobicContact CG-CD2 4Å; F239-L242 HydrophobicContact CG-CG 4.43Å; F239-L242 HydrophobicContact CZ-CB 4.11Å; F239-L242 HydrophobicContact CZ-CD2 4.49Å; F239-F248 PolarHBondContact N-O 2.83Å; F239-F248 VanDerWaalsContact N-O 3.09Å; F239-C249 HydrophobicContact CD2-CB 4.33Å; F239-C249 HydrophobicContact CE2-CB 3.67Å; F239-C249 HydrophobicContact CZ-CB 3.87Å; F239-C249 CarbonylContact O-C 3.55Å; F239-C249 WeakPolarHBondContact O-CA 3.44Å; F239-L250 PolarHBondContact O-N 2.92Å |
| 240 | Y | 96 | Very high | 92.2 | Very high | 75 Ų | 75 | 52 Ų | 52 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -100.4 | -44.2 | 172.1 | -175.7 | -88.9 | 0 | 0 | 0 | 112 | R266 G270 | Y240-R266 HydrophobicContact CD2-CB 4.11Å; Y240-R266 WeakPolarHBondContact CD2-O 3.39Å; Y240-R266 HydrophobicContact CE2-CB 3.7Å; Y240-R266 HydrophobicContact CE2-CG 4.47Å; Y240-R266 VanDerWaalsContact CG-O 3.25Å; Y240-G270 PolarHBondContact N-O 2.84Å |
| 241 | D | 89.9 | Confident | 92.1 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | trans | -137.5 | 118.3 | 176.1 | 179.1 | 14.4 | 0 | 0 | 0 | 108.5 | G270 Y271 | D241-G270 PolarHBondContact N-O 2.89Å; D241-G270 CarbonylContact O-C 3.55Å; D241-Y271 VanDerWaalsContact O-CD1 3.28Å; D241-Y271 WeakPolarHBondContact O-CD1 3.4Å | ||
| 242 | L | 88.3 | Confident | 91.9 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | trans | -145.4 | 108.1 | 177.6 | -170.3 | 61.9 | 0 | 0 | 0 | 108.8 | G85 F239 Q244 G245 Y271 | G85-L242 WeakPolarHBondContact O-CD1 3.34Å; F239-L242 HydrophobicContact CB-CB 4.13Å; F239-L242 HydrophobicContact CD1-CB 4.13Å; F239-L242 HydrophobicContact CD1-CD2 3.79Å; F239-L242 HydrophobicContact CD2-CB 3.26Å; F239-L242 HydrophobicContact CD2-CD2 4.47Å; F239-L242 HydrophobicContact CD2-CG 4.48Å; F239-L242 HydrophobicContact CE1-CB 4.38Å; F239-L242 HydrophobicContact CE1-CD2 4.05Å; F239-L242 HydrophobicContact CE2-CB 3.56Å; F239-L242 HydrophobicContact CG-CB 3.58Å; F239-L242 HydrophobicContact CG-CD2 4Å; F239-L242 HydrophobicContact CG-CG 4.43Å; F239-L242 HydrophobicContact CZ-CB 4.11Å; F239-L242 HydrophobicContact CZ-CD2 4.49Å; L242-Q244 PolarHBondContact O-N 2.79Å; L242-G245 PolarHBondContact O-N 2.9Å; L242-Y271 HydrophobicContact CD1-CD1 3.53Å; L242-Y271 HydrophobicContact CD1-CE1 4.06Å; L242-Y271 HydrophobicContact CD1-CG 3.96Å | ||
| 243 | P | 77.1 | Confident | 91.9 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.4 | -167.9 | -29.8 | 34.8 | 0 | 0 | 0 | 116.3 | ||
| 244 | Q | 79.3 | Confident | 91.7 | Very high | 153 Ų | 153 | 53.9 Ų | 53.9 | 72% | 0.715 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.8 | 31 | 177.4 | -61.8 | 178.9 | 2.1 | 0 | 0 | 110.8 | L242 | L242-Q244 PolarHBondContact O-N 2.79Š|
| 245 | G | 77.7 | Confident | 91.4 | Very high | 29 Ų | 29 | 52 Ų | 52 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | trans | -74.2 | 133.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L242 | L242-G245 PolarHBondContact O-N 2.9Š| ||
| 246 | N | 85.5 | Confident | 91.1 | Very high | 143 Ų | 143 | 58 Ų | 58 | 77% | 0.765 | 33% | 0.329 | S | S | * | . | trans | -113.2 | 135.8 | 160.6 | -173.1 | 11.5 | 0 | 0 | 0 | 108 | ||||
| 247 | G | 93.5 | Very high | 90.7 | Very high | 20 Ų | 20 | 59 Ų | 59 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.1 | -149.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D237 C249 | D237-G247 CarbonylContact O-C 3.59Å; D237-G247 WeakPolarHBondContact O-CA 3.33Å; G247-C249 PolarHBondContact O-N 2.82Å |
| 248 | F | 96.8 | Very high | 90.4 | Very high | 12 Ų | 12 | 67.9 Ų | 67.9 | 5% | 0.053 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 95.9 | -173.3 | -170 | -167.9 | 0 | 0 | 0 | 111.4 | V216 Y229 L236 D237 I238 F239 L250 L253 | V216-F248 HydrophobicContact CB-CD1 4.33Å; V216-F248 HydrophobicContact CB-CE1 4.33Å; V216-F248 HydrophobicContact CG1-CD1 4.06Å; V216-F248 HydrophobicContact CG1-CE1 3.98Å; Y229-F248 HydrophobicContact CD1-CB 4.48Å; Y229-F248 HydrophobicContact CD2-CB 3.87Å; Y229-F248 HydrophobicContact CD2-CD1 4.24Å; Y229-F248 AromaticContact CD2-CD2 3.65Å; Y229-F248 HydrophobicContact CD2-CD2 3.65Å; Y229-F248 HydrophobicContact CD2-CE2 4.21Å; Y229-F248 AromaticContact CD2-CG 3.67Å; Y229-F248 HydrophobicContact CD2-CG 3.67Å; Y229-F248 HydrophobicContact CE2-CB 3.95Å; Y229-F248 HydrophobicContact CE2-CD2 4.25Å; Y229-F248 HydrophobicContact CE2-CG 4.23Å; Y229-F248 HydrophobicContact CG-CB 4.15Å; Y229-F248 HydrophobicContact CG-CD1 4.04Å; Y229-F248 HydrophobicContact CG-CD2 4.27Å; Y229-F248 HydrophobicContact CG-CE1 4.5Å; Y229-F248 AromaticContact CG-CG 3.92Å; Y229-F248 HydrophobicContact CG-CG 3.92Å; L236-F248 HydrophobicContact CD1-CB 4.3Å; L236-F248 HydrophobicContact CD2-CB 4.41Å; D237-F248 PolarHBondContact O-N 2.85Å; I238-F248 WeakPolarHBondContact CA-O 3.46Å; I238-F248 HydrophobicContact CG1-CB 4.18Å; I238-F248 HydrophobicContact CG2-CB 4.26Å; I238-F248 HydrophobicContact CG2-CD1 4.16Å; I238-F248 HydrophobicContact CG2-CG 4.43Å; F239-F248 PolarHBondContact N-O 2.83Å; F239-F248 VanDerWaalsContact N-O 3.09Å; F248-L250 HydrophobicContact CD1-CD2 4.21Å; F248-L250 HydrophobicContact CD2-CD2 4.31Å; F248-L250 HydrophobicContact CE1-CD2 4.01Å; F248-L250 HydrophobicContact CE2-CD2 4.12Å; F248-L250 HydrophobicContact CG-CD2 4.36Å; F248-L250 HydrophobicContact CZ-CD2 3.96Å; F248-L250 PolarHBondContact O-N 2.81Å; F248-L253 HydrophobicContact CE2-CD1 3.91Å; F248-L253 HydrophobicContact CE2-CD2 4.18Å; F248-L253 HydrophobicContact CE2-CG 4.36Å; F248-L253 HydrophobicContact CZ-CD1 4.01Å |
| 249 | C | 96.4 | Very high | 90.4 | Very high | 19 Ų | 19 | 69.4 Ų | 69.4 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 102.7 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | F239 G247 G251 Q252 | F239-C249 HydrophobicContact CD2-CB 4.33Å; F239-C249 HydrophobicContact CE2-CB 3.67Å; F239-C249 HydrophobicContact CZ-CB 3.87Å; F239-C249 CarbonylContact O-C 3.55Å; F239-C249 WeakPolarHBondContact O-CA 3.44Å; G247-C249 PolarHBondContact O-N 2.82Å; C249-G251 PolarHBondContact O-N 3.3Å; C249-Q252 HydrophobicContact CB-CB 4.49Å; C249-Q252 HydrophobicContact CB-CG 4.19Å; C249-Q252 PolarHBondContact O-N 3.5Å |
| 250 | L | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -67.6 | -24.2 | 177.8 | -54.9 | 179.5 | 0 | 0 | 0 | 112.5 | Y218 I238 F239 F248 Q252 L253 R266 I269 F351 L371 | Y218-L250 HydrophobicContact CD1-CD2 4.24Å; Y218-L250 HydrophobicContact CD2-CD1 4.02Å; Y218-L250 HydrophobicContact CD2-CD2 3.89Å; Y218-L250 HydrophobicContact CE2-CD1 3.98Å; Y218-L250 HydrophobicContact CE2-CD2 4.47Å; Y218-L250 HydrophobicContact CG-CD2 3.75Å; I238-L250 HydrophobicContact CG2-CD1 3.97Å; I238-L250 HydrophobicContact CG2-CD2 4.09Å; I238-L250 HydrophobicContact CG2-CG 3.99Å; F239-L250 PolarHBondContact O-N 2.92Å; F248-L250 HydrophobicContact CD1-CD2 4.21Å; F248-L250 HydrophobicContact CD2-CD2 4.31Å; F248-L250 HydrophobicContact CE1-CD2 4.01Å; F248-L250 HydrophobicContact CE2-CD2 4.12Å; F248-L250 HydrophobicContact CG-CD2 4.36Å; F248-L250 HydrophobicContact CZ-CD2 3.96Å; F248-L250 PolarHBondContact O-N 2.81Å; L250-Q252 PolarHBondContact O-N 3.16Å; L250-L253 HydrophobicContact CD2-CD1 3.92Å; L250-L253 WeakPolarHBondContact O-CB 3.43Å; L250-L253 PolarHBondContact O-N 2.87Å; L250-R266 PolarHBondContact O-NH2 3.08Å; L250-I269 HydrophobicContact CD1-CD1 3.84Å; L250-I269 HydrophobicContact CD1-CG2 4.44Å; L250-F351 HydrophobicContact CD1-CE2 3.89Å; L250-F351 HydrophobicContact CD1-CZ 4.1Å; L250-L371 HydrophobicContact CD2-CD2 4.46Å |
| 251 | G | 93.8 | Very high | 90.3 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -67 | -23.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C249 | C249-G251 PolarHBondContact O-N 3.3Š|
| 252 | Q | 93.6 | Very high | 90.7 | Very high | 161 Ų | 161 | 70.1 Ų | 70.1 | 75% | 0.752 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -86.6 | -9.4 | 177.2 | -70.1 | 173.7 | -12.7 | 0 | 0 | 113.2 | C249 L250 | C249-Q252 HydrophobicContact CB-CB 4.49Å; C249-Q252 HydrophobicContact CB-CG 4.19Å; C249-Q252 PolarHBondContact O-N 3.5Å; L250-Q252 PolarHBondContact O-N 3.16Å |
| 253 | L | 93.9 | Very high | 91 | Very high | 32 Ų | 32 | 74.5 Ų | 74.5 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -75.6 | 129.9 | 178.2 | -60.5 | 179.7 | 0 | 0 | 0 | 110.4 | Y218 V225 F248 L250 S255 R266 | Y218-L253 HydrophobicContact CD1-CD1 3.5Å; Y218-L253 HydrophobicContact CE1-CD1 4.28Å; Y218-L253 HydrophobicContact CG-CD1 4.11Å; V225-L253 HydrophobicContact CG1-CB 4.01Å; V225-L253 HydrophobicContact CG1-CD1 4.45Å; F248-L253 HydrophobicContact CE2-CD1 3.91Å; F248-L253 HydrophobicContact CE2-CD2 4.18Å; F248-L253 HydrophobicContact CE2-CG 4.36Å; F248-L253 HydrophobicContact CZ-CD1 4.01Å; L250-L253 HydrophobicContact CD2-CD1 3.92Å; L250-L253 WeakPolarHBondContact O-CB 3.43Å; L250-L253 PolarHBondContact O-N 2.87Å; L253-S255 PolarHBondContact O-N 3.23Å; L253-R266 PolarHBondContact O-NH2 3.22Å |
| 254 | C | 89.2 | Confident | 91.9 | Very high | 114 Ų | 114 | 74.9 Ų | 74.9 | 77% | 0.77 | 40% | 0.403 | S | S | * | . | trans | -67.6 | 117.2 | 171.5 | -65.4 | 0 | 0 | 0 | 0 | 109.1 | V225 | V225-C254 WeakPolarHBondContact CG1-O 3.22Š| ||
| 255 | S | 88.3 | Confident | 92.8 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | trans | -107.3 | 119.6 | 174.2 | 169.2 | 0 | 0 | 0 | 0 | 108.9 | E220 L253 N257 | E220-S255 WeakPolarHBondContact OE1-CB 3.5Å; E220-S255 PolarHBondContact OE1-OG 3.41Å; E220-S255 WeakPolarHBondContact OE2-CB 3.33Å; E220-S255 PolarHBondContact OE2-OG 2.95Å; L253-S255 PolarHBondContact O-N 3.23Å; S255-N257 PolarHBondContact OG-N 3.23Å | ||
| 256 | D | 89.3 | Confident | 93.7 | Very high | 157 Ų | 157 | 67 Ų | 67 | 84% | 0.84 | 36% | 0.358 | S | S | * | . | trans | -85.2 | -0.4 | 170.3 | -62.2 | -39.6 | 0 | 0 | 0 | 111.9 | K258 | D256-K258 PolarHBondContact O-N 3.41Š| ||
| 257 | N | 86.9 | Confident | 94.1 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 17% | 0.171 | 35% | 0.347 | C | S | . | . | trans | -77.5 | 113.5 | -175.9 | -163.6 | -34.2 | 0 | 0 | 0 | 110.8 | E220 E221 S255 S259 V262 | E220-N257 WeakPolarHBondContact OE2-CB 3.07Å; E221-N257 PolarHBondContact OE2-ND2 3.28Å; S255-N257 PolarHBondContact OG-N 3.23Å; N257-S259 VanDerWaalsContact C-N 3.27Å; N257-S259 PolarHBondContact O-N 3.28Å; N257-S259 WeakPolarHBondContact OD1-CB 3.32Å; N257-S259 PolarHBondContact OD1-N 3.05Å; N257-V262 HydrophobicContact CB-CG1 4.37Å | ||
| 258 | K | 91.8 | Very high | 94.3 | Very high | 190 Ų | 190 | 66.2 Ų | 66.2 | 83% | 0.826 | 35% | 0.354 | S | S | * | . | trans | -82.5 | 0.5 | 180 | -60.7 | -178.6 | -178.2 | 177.2 | 0 | 113.6 | D256 Q260 | D256-K258 PolarHBondContact O-N 3.41Å; K258-Q260 PolarHBondContact O-N 3.24Å | ||
| 259 | S | 96.3 | Very high | 94.4 | Very high | 32 Ų | 32 | 65.7 Ų | 65.7 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | trans | -63.5 | 118.2 | 178.9 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | N257 L261 V262 Q263 | N257-S259 VanDerWaalsContact C-N 3.27Å; N257-S259 PolarHBondContact O-N 3.28Å; N257-S259 WeakPolarHBondContact OD1-CB 3.32Å; N257-S259 PolarHBondContact OD1-N 3.05Å; S259-L261 PolarHBondContact O-N 3.22Å; S259-V262 WeakPolarHBondContact O-CB 3.43Å; S259-V262 PolarHBondContact O-N 2.88Å; S259-V262 VanDerWaalsContact O-N 3.11Å; S259-Q263 PolarHBondContact O-N 3.47Å; S259-Q263 VanDerWaalsContact O-N 3.11Å | ||
| 260 | Q | 96.4 | Very high | 94.3 | Very high | 152 Ų | 152 | 65.8 Ų | 65.8 | 71% | 0.71 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.1 | -34.5 | 176.1 | -67.9 | -178.4 | -12.1 | 0 | 0 | 111.6 | K258 Q263 M264 | K258-Q260 PolarHBondContact O-N 3.24Å; Q260-Q263 PolarHBondContact O-N 2.94Å; Q260-M264 WeakPolarHBondContact O-CB 3.47Å; Q260-M264 VanDerWaalsContact O-CG 3.29Å; Q260-M264 WeakPolarHBondContact O-CG 3.36Å; Q260-M264 PolarHBondContact O-N 3.08Å |
| 261 | L | 96.4 | Very high | 94.3 | Very high | 47 Ų | 47 | 69 Ų | 69 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 178.3 | -178.3 | 62 | 0 | 0 | 0 | 112 | S259 M264 V265 R361 P368 | S259-L261 PolarHBondContact O-N 3.22Å; L261-M264 HydrophobicContact CB-CE 4.48Å; L261-M264 HydrophobicContact CD1-CE 3.99Å; L261-M264 PolarHBondContact O-N 3.11Å; L261-V265 HydrophobicContact CD1-CG2 4.33Å; L261-V265 WeakPolarHBondContact O-CG2 3.39Å; L261-V265 PolarHBondContact O-N 3.29Å; L261-R361 VanDerWaalsContact CD2-NH2 3.27Å; L261-P368 HydrophobicContact CD1-CG 4.47Å; L261-P368 HydrophobicContact CD2-CG 3.63Å; L261-P368 HydrophobicContact CG-CB 4.23Å; L261-P368 HydrophobicContact CG-CG 3.63Å |
| 262 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 175.1 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | E220 E221 N257 S259 M264 V265 R266 P368 | E220-V262 HydrophobicContact CB-CG1 4.06Å; E220-V262 HydrophobicContact CG-CG1 3.8Å; E221-V262 HydrophobicContact CG-CG2 4.07Å; N257-V262 HydrophobicContact CB-CG1 4.37Å; S259-V262 WeakPolarHBondContact O-CB 3.43Å; S259-V262 PolarHBondContact O-N 2.88Å; S259-V262 VanDerWaalsContact O-N 3.11Å; V262-M264 VanDerWaalsContact C-N 3.32Å; V262-M264 PolarHBondContact O-N 2.96Å; V262-V265 PolarHBondContact O-N 3.42Å; V262-V265 VanDerWaalsContact O-N 3.08Å; V262-R266 HydrophobicContact CG1-CG 4.24Å; V262-R266 WeakPolarHBondContact O-CB 3.46Å; V262-R266 WeakPolarHBondContact O-CG 3.27Å; V262-R266 PolarHBondContact O-N 3.34Å; V262-P368 HydrophobicContact CB-CB 4.47Å; V262-P368 HydrophobicContact CG2-CB 3.88Å |
| 263 | Q | 95.3 | Very high | 94.7 | Very high | 107 Ų | 107 | 59.9 Ų | 59.9 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 178 | -65.8 | 176.2 | -2.6 | 0 | 0 | 112.3 | S259 Q260 V265 R266 A267 | S259-Q263 PolarHBondContact O-N 3.47Å; S259-Q263 VanDerWaalsContact O-N 3.11Å; Q260-Q263 PolarHBondContact O-N 2.94Å; Q263-V265 PolarHBondContact O-N 3.47Å; Q263-R266 PolarHBondContact O-N 3.11Å; Q263-A267 PolarHBondContact O-N 2.82Å; Q263-A267 VanDerWaalsContact O-N 3.14Å |
| 264 | M | 96.4 | Very high | 94.8 | Very high | 106 Ų | 106 | 58.8 Ų | 58.8 | 52% | 0.522 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 174.8 | -77 | -167 | -67 | 0 | 0 | 113 | Q260 L261 V262 K268 | Q260-M264 WeakPolarHBondContact O-CB 3.47Å; Q260-M264 VanDerWaalsContact O-CG 3.29Å; Q260-M264 WeakPolarHBondContact O-CG 3.36Å; Q260-M264 PolarHBondContact O-N 3.08Å; L261-M264 HydrophobicContact CB-CE 4.48Å; L261-M264 HydrophobicContact CD1-CE 3.99Å; L261-M264 PolarHBondContact O-N 3.11Å; V262-M264 VanDerWaalsContact C-N 3.32Å; V262-M264 PolarHBondContact O-N 2.96Å; M264-K268 WeakPolarHBondContact O-CG 3.38Å; M264-K268 PolarHBondContact O-N 3.23Å |
| 265 | V | 97.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.4 | -41.6 | 178.9 | 171 | 0 | 0 | 0 | 0 | 111 | L261 V262 Q263 A267 K268 I269 F351 V352 K353 P368 C369 | L261-V265 HydrophobicContact CD1-CG2 4.33Å; L261-V265 WeakPolarHBondContact O-CG2 3.39Å; L261-V265 PolarHBondContact O-N 3.29Å; V262-V265 PolarHBondContact O-N 3.42Å; V262-V265 VanDerWaalsContact O-N 3.08Å; Q263-V265 PolarHBondContact O-N 3.47Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 3.14Å; V265-K268 CarbonylContact O-C 3.43Å; V265-K268 WeakPolarHBondContact O-CA 3.48Å; V265-K268 WeakPolarHBondContact O-CB 3.38Å; V265-K268 PolarHBondContact O-N 2.85Å; V265-I269 PolarHBondContact O-N 3.07Å; V265-F351 HydrophobicContact CG1-CB 4.28Å; V265-V352 HydrophobicContact CG1-CB 4.08Å; V265-V352 HydrophobicContact CG1-CG2 3.99Å; V265-V352 HydrophobicContact CG2-CB 4.35Å; V265-K353 HydrophobicContact CG2-CG 4.16Å; V265-P368 HydrophobicContact CB-CB 4.04Å; V265-P368 HydrophobicContact CG1-CB 4.41Å; V265-P368 HydrophobicContact CG2-CB 3.94Å; V265-P368 HydrophobicContact CG2-CG 3.99Å; V265-C369 HydrophobicContact CG1-CB 3.73Å |
| 266 | R | 96.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 6% | 0.057 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -50.7 | -52.5 | 173.6 | -76.4 | 177.2 | 68.6 | 73 | 4 | 111.4 | Y218 E220 Y240 L250 L253 V262 Q263 K268 I269 C369 | Y218-R266 VanDerWaalsContact CE1-NH1 3.32Å; Y218-R266 PolarHBondContact OH-NH1 3.39Å; Y218-R266 VanDerWaalsContact OH-NH1 3.15Å; E220-R266 VanDerWaalsContact OE1-CD 3.28Å; E220-R266 WeakPolarHBondContact OE1-CD 3.41Å; E220-R266 IonicContact OE1-CZ 2.73Å; E220-R266 IonicContact OE1-NE 3.76Å; E220-R266 IonicContact OE1-NH1 3.56Å; E220-R266 PolarHBondContact OE1-NH1 3.45Å; Y240-R266 HydrophobicContact CD2-CB 4.11Å; Y240-R266 WeakPolarHBondContact CD2-O 3.39Å; Y240-R266 HydrophobicContact CE2-CB 3.7Å; Y240-R266 HydrophobicContact CE2-CG 4.47Å; Y240-R266 VanDerWaalsContact CG-O 3.25Å; L250-R266 PolarHBondContact O-NH2 3.08Å; L253-R266 PolarHBondContact O-NH2 3.22Å; V262-R266 HydrophobicContact CG1-CG 4.24Å; V262-R266 WeakPolarHBondContact O-CB 3.46Å; V262-R266 WeakPolarHBondContact O-CG 3.27Å; V262-R266 PolarHBondContact O-N 3.34Å; Q263-R266 PolarHBondContact O-N 3.11Å; R266-K268 PolarHBondContact O-N 3.23Å; R266-K268 VanDerWaalsContact O-N 3.17Å; R266-I269 WeakPolarHBondContact O-CB 3.16Å; R266-I269 PolarHBondContact O-N 3.4Å; R266-I269 VanDerWaalsContact O-N 3.1Å; R266-C369 VanDerWaalsContact CG-SG 3.6Å |
| 267 | A | 94.6 | Very high | 96 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -25.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q263 V265 | Q263-A267 PolarHBondContact O-N 2.82Å; Q263-A267 VanDerWaalsContact O-N 3.14Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 3.14Å |
| 268 | K | 97.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 48 Ų | 48 | 35% | 0.352 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -85.7 | -12.3 | 178.6 | -75.5 | -178.6 | 176.8 | -178.1 | 0 | 114.2 | M264 V265 R266 G270 S288 Y290 V352 | M264-K268 WeakPolarHBondContact O-CG 3.38Å; M264-K268 PolarHBondContact O-N 3.23Å; V265-K268 CarbonylContact O-C 3.43Å; V265-K268 WeakPolarHBondContact O-CA 3.48Å; V265-K268 WeakPolarHBondContact O-CB 3.38Å; V265-K268 PolarHBondContact O-N 2.85Å; R266-K268 PolarHBondContact O-N 3.23Å; R266-K268 VanDerWaalsContact O-N 3.17Å; K268-G270 VanDerWaalsContact C-N 3.27Å; K268-G270 PolarHBondContact O-N 3.32Å; K268-S288 PolarHBondContact O-OG 2.97Å; K268-Y290 HydrophobicContact CB-CD2 3.71Å; K268-Y290 HydrophobicContact CB-CE2 3.61Å; K268-Y290 HydrophobicContact CB-CG 4.45Å; K268-Y290 HydrophobicContact CD-CD2 4.42Å; K268-Y290 HydrophobicContact CD-CE1 4.09Å; K268-Y290 HydrophobicContact CD-CE2 3.91Å; K268-Y290 HydrophobicContact CG-CD2 4.13Å; K268-Y290 HydrophobicContact CG-CE2 3.53Å; K268-Y290 WeakPolarHBondContact O-CD2 3.32Å; K268-V352 HydrophobicContact CB-CG2 3.76Å; K268-V352 HydrophobicContact CD-CG1 4.27Å |
| 269 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 177 | -64.6 | 174.5 | 0 | 0 | 0 | 109.7 | L250 V265 R266 Y271 G272 S288 F351 C369 | L250-I269 HydrophobicContact CD1-CD1 3.84Å; L250-I269 HydrophobicContact CD1-CG2 4.44Å; V265-I269 PolarHBondContact O-N 3.07Å; R266-I269 WeakPolarHBondContact O-CB 3.16Å; R266-I269 PolarHBondContact O-N 3.4Å; R266-I269 VanDerWaalsContact O-N 3.1Å; I269-Y271 PolarHBondContact O-N 3.01Å; I269-G272 WeakPolarHBondContact O-CA 3.49Å; I269-G272 PolarHBondContact O-N 2.97Å; I269-S288 VanDerWaalsContact O-CB 3.3Å; I269-S288 WeakPolarHBondContact O-CB 3.38Å; I269-S288 PolarHBondContact O-OG 3.42Å; I269-F351 HydrophobicContact CD1-CB 4.46Å; I269-F351 HydrophobicContact CD1-CD2 3.81Å; I269-F351 HydrophobicContact CD1-CE2 4.1Å; I269-F351 HydrophobicContact CD1-CG 4.06Å; I269-F351 HydrophobicContact CG1-CB 3.93Å; I269-F351 HydrophobicContact CG1-CD1 4.06Å; I269-F351 HydrophobicContact CG1-CD2 4.07Å; I269-F351 HydrophobicContact CG1-CG 3.77Å; I269-F351 HydrophobicContact CG2-CD1 4.06Å; I269-F351 HydrophobicContact CG2-CE1 3.87Å; I269-F351 HydrophobicContact CG2-CZ 4.2Å; I269-C369 HydrophobicContact CD1-CB 4.3Å |
| 270 | G | 95.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -128.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y240 D241 K268 G272 | Y240-G270 PolarHBondContact N-O 2.84Å; D241-G270 PolarHBondContact N-O 2.89Å; D241-G270 CarbonylContact O-C 3.55Å; K268-G270 VanDerWaalsContact C-N 3.27Å; K268-G270 PolarHBondContact O-N 3.32Å; G270-G272 PolarHBondContact O-N 3.23Å; G270-G272 VanDerWaalsContact O-N 3.11Å |
| 271 | Y | 96.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 40 Ų | 40 | 26% | 0.259 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -8.1 | 175.7 | -56 | -22.9 | 0 | 0 | 0 | 114 | G85 D241 L242 I269 I273 | G85-Y271 VanDerWaalsContact N-CE2 3.34Å; D241-Y271 VanDerWaalsContact O-CD1 3.28Å; D241-Y271 WeakPolarHBondContact O-CD1 3.4Å; L242-Y271 HydrophobicContact CD1-CD1 3.53Å; L242-Y271 HydrophobicContact CD1-CE1 4.06Å; L242-Y271 HydrophobicContact CD1-CG 3.96Å; I269-Y271 PolarHBondContact O-N 3.01Å; Y271-I273 PolarHBondContact O-N 2.89Å |
| 272 | G | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | 60.9 | -127 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | I238 I269 G270 R287 S288 | I238-G272 CarbonylContact O-C 3.52Å; I238-G272 VanDerWaalsContact O-CA 3.3Å; I238-G272 WeakPolarHBondContact O-CA 3.31Å; I269-G272 WeakPolarHBondContact O-CA 3.49Å; I269-G272 PolarHBondContact O-N 2.97Å; G270-G272 PolarHBondContact O-N 3.23Å; G270-G272 VanDerWaalsContact O-N 3.11Å; G272-R287 CarbonylContact O-C 3.48Å; G272-R287 WeakPolarHBondContact O-CA 3Å; G272-R287 WeakPolarHBondContact O-CB 3.32Å; G272-R287 PolarHBondContact O-N 2.73Å; G272-S288 PolarHBondContact O-N 2.83Å | ||
| 273 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159.7 | -176 | 63.7 | 172.8 | 0 | 0 | 0 | 111.5 | I238 Y271 V284 Y285 I292 I349 F351 L371 | I238-I273 HydrophobicContact CB-CG1 3.98Å; I238-I273 HydrophobicContact CD1-CD1 4.21Å; I238-I273 HydrophobicContact CD1-CG1 4.32Å; I238-I273 HydrophobicContact CG1-CG1 4.47Å; I238-I273 PolarHBondContact N-O 2.9Å; I238-I273 PolarHBondContact O-N 2.96Å; Y271-I273 PolarHBondContact O-N 2.89Å; I273-V284 HydrophobicContact CB-CG1 4.18Å; I273-V284 HydrophobicContact CD1-CG1 4.1Å; I273-V284 HydrophobicContact CG2-CG1 4.24Å; I273-Y285 CarbonylContact C-O 3.35Å; I273-Y285 VanDerWaalsContact CA-O 3.29Å; I273-Y285 WeakPolarHBondContact CA-O 3.36Å; I273-I292 HydrophobicContact CG2-CD1 3.57Å; I273-I292 HydrophobicContact CG2-CG2 4.06Å; I273-I349 HydrophobicContact CD1-CD1 3.84Å; I273-I349 HydrophobicContact CD1-CG2 4.47Å; I273-F351 HydrophobicContact CG2-CE1 4.13Å; I273-L371 HydrophobicContact CD1-CD1 3.84Å |
| 274 | Q | 97 | Very high | 96.5 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.9 | 164.4 | 179.3 | 173.4 | 82.9 | 0 | 0 | 108.9 | S235 L236 D237 V284 Y285 | S235-Q274 WeakPolarHBondContact OG-CG 3.18Å; L236-Q274 CarbonylContact O-C 3.45Å; L236-Q274 WeakPolarHBondContact O-CA 3.4Å; D237-Q274 WeakPolarHBondContact OD1-CB 3.47Å; D237-Q274 WeakPolarHBondContact OD1-CG 3.47Å; D237-Q274 PolarHBondContact OD1-NE2 3.02Å; Q274-V284 WeakPolarHBondContact O-CA 3.4Å; Q274-Y285 HydrophobicContact CB-CD1 4.32Å; Q274-Y285 PolarHBondContact N-O 3.04Å; Q274-Y285 PolarHBondContact O-N 3.47Å |
| 275 | L | 97.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.3 | 172.5 | -169.3 | 73.3 | 0 | 0 | 0 | 108.3 | W213 S235 L236 V282 W283 V284 V373 | W213-L275 HydrophobicContact CH2-CD2 3.47Å; W213-L275 VanDerWaalsContact CH2-CD2 3.47Å; W213-L275 HydrophobicContact CH2-CG 3.78Å; W213-L275 HydrophobicContact CZ2-CD2 4.28Å; W213-L275 HydrophobicContact CZ3-CD2 4.13Å; S235-L275 CarbonylContact C-O 3.59Å; S235-L275 VanDerWaalsContact CA-O 3.24Å; S235-L275 WeakPolarHBondContact CA-O 3.48Å; S235-L275 PolarHBondContact OG-O 3.03Å; L236-L275 PolarHBondContact N-O 2.91Å; L236-L275 PolarHBondContact O-N 3.39Å; L275-V282 HydrophobicContact CD1-CG1 3.5Å; L275-V282 HydrophobicContact CD2-CG1 4.42Å; L275-V282 HydrophobicContact CG-CG1 3.82Å; L275-W283 WeakPolarHBondContact CA-O 3.35Å; L275-V284 HydrophobicContact CD1-CG2 3.59Å; L275-V373 HydrophobicContact CD2-CG1 3.94Å |
| 276 | T | 97.4 | Very high | 96.6 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.6 | 179.4 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | S131 P234 S235 E278 V282 W283 | S131-T276 WeakPolarHBondContact OG-CG2 3.29Å; P234-T276 CarbonylContact O-C 3.42Å; P234-T276 WeakPolarHBondContact O-CA 3.5Å; S235-T276 PolarHBondContact OG-OG1 2.87Å; T276-E278 HydrophobicContact CG2-CG 3.72Å; T276-V282 CarbonylContact O-C 3.55Å; T276-V282 WeakPolarHBondContact O-CA 3.36Å; T276-W283 PolarHBondContact N-O 3.35Å; T276-W283 PolarHBondContact O-N 3.47Å |
| 277 | R | 96.2 | Very high | 96.5 | Very high | 86 Ų | 86 | 30.6 Ų | 30.6 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.9 | 168.3 | -177.3 | 178.6 | 174.7 | -167 | -0.9 | 108.9 | W213 P234 | W213-R277 HydrophobicContact CD2-CB 4.06Å; W213-R277 HydrophobicContact CD2-CG 4.45Å; W213-R277 HydrophobicContact CE3-CB 4.08Å; W213-R277 HydrophobicContact CE3-CG 4.38Å; W213-R277 HydrophobicContact CH2-CB 4.02Å; W213-R277 HydrophobicContact CZ2-CB 4.04Å; W213-R277 HydrophobicContact CZ3-CB 4.04Å; P234-R277 PolarHBondContact O-N 2.85Å |
| 278 | E | 95 | Very high | 96.6 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 167.5 | 177.5 | -60.7 | -172.1 | -167.1 | 0 | 0 | 109.7 | K128 Y136 T276 D280 G281 W283 | K128-E278 WeakPolarHBondContact CE-OE2 3.31Å; K128-E278 IonicContact NZ-OE1 3.37Å; K128-E278 PolarHBondContact NZ-OE1 2.73Å; K128-E278 IonicContact NZ-OE2 3.15Å; K128-E278 PolarHBondContact NZ-OE2 3Å; Y136-E278 PolarHBondContact OH-OE2 3.17Å; T276-E278 HydrophobicContact CG2-CG 3.72Å; E278-D280 PolarHBondContact O-N 3.48Å; E278-G281 CarbonylContact C-O 3.5Å; E278-G281 WeakPolarHBondContact CA-O 3.42Å; E278-G281 PolarHBondContact N-O 2.93Å; E278-G281 PolarHBondContact O-N 2.92Å; E278-G281 VanDerWaalsContact O-O 3.07Å; E278-W283 VanDerWaalsContact CD-CD1 3.47Å |
| 279 | P | 93.2 | Very high | 96.5 | Very high | 133 Ų | 133 | 27.7 Ų | 27.7 | 86% | 0.864 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.6 | -178.3 | -27.2 | 36.4 | 0 | 0 | 0 | 114 | ||
| 280 | D | 93.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 31 Ų | 31 | 38% | 0.38 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -18.3 | -178.1 | 73.3 | -39.8 | 0 | 0 | 0 | 113 | E278 W283 K319 | E278-D280 PolarHBondContact O-N 3.48Å; D280-W283 PolarHBondContact OD1-NE1 3.07Å; D280-W283 PolarHBondContact OD2-NE1 3.48Å; D280-K319 VanDerWaalsContact C-CE 3.43Å; D280-K319 WeakPolarHBondContact O-CE 3.28Å; D280-K319 PolarHBondContact O-NZ 2.81Å; D280-K319 WeakPolarHBondContact OD2-CD 3.34Å; D280-K319 VanDerWaalsContact OD2-CE 3.31Å; D280-K319 WeakPolarHBondContact OD2-CE 3.26Å; D280-K319 IonicContact OD2-NZ 2.71Å; D280-K319 PolarHBondContact OD2-NZ 3Å |
| 281 | G | 95.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -162.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E278 F321 | E278-G281 CarbonylContact C-O 3.5Å; E278-G281 WeakPolarHBondContact CA-O 3.42Å; E278-G281 PolarHBondContact N-O 2.93Å; E278-G281 PolarHBondContact O-N 2.92Å; E278-G281 VanDerWaalsContact O-O 3.07Å; G281-F321 CarbonylContact C-O 3.46Å; G281-F321 WeakPolarHBondContact CA-O 3.43Å |
| 282 | V | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.6 | 178.6 | -169.7 | 0 | 0 | 0 | 0 | 110 | W213 L275 T276 K319 A320 F321 Y323 F375 | W213-V282 HydrophobicContact CE3-CG2 4.48Å; W213-V282 HydrophobicContact CH2-CG1 3.94Å; W213-V282 HydrophobicContact CZ3-CG1 3.77Å; W213-V282 HydrophobicContact CZ3-CG2 3.85Å; L275-V282 HydrophobicContact CD1-CG1 3.5Å; L275-V282 HydrophobicContact CD2-CG1 4.42Å; L275-V282 HydrophobicContact CG-CG1 3.82Å; T276-V282 CarbonylContact O-C 3.55Å; T276-V282 WeakPolarHBondContact O-CA 3.36Å; V282-K319 CarbonylContact O-C 3.59Å; V282-A320 PolarHBondContact O-N 3.01Å; V282-F321 HydrophobicContact CB-CB 3.86Å; V282-F321 HydrophobicContact CG2-CB 4.12Å; V282-F321 HydrophobicContact CG2-CD1 4.18Å; V282-F321 PolarHBondContact N-O 3.44Å; V282-F321 PolarHBondContact O-N 3.14Å; V282-F321 VanDerWaalsContact O-N 3.1Å; V282-Y323 HydrophobicContact CG2-CE2 3.89Å; V282-F375 HydrophobicContact CB-CE1 4.13Å; V282-F375 HydrophobicContact CB-CZ 4.24Å; V282-F375 HydrophobicContact CG1-CE1 3.96Å; V282-F375 HydrophobicContact CG1-CZ 4.22Å; V282-F375 HydrophobicContact CG2-CD1 4.11Å; V282-F375 HydrophobicContact CG2-CE1 3.74Å; V282-F375 HydrophobicContact CG2-CZ 4.21Å |
| 283 | W | 97.9 | Very high | 96.7 | Very high | 34 Ų | 34 | 28.6 Ų | 28.6 | 13% | 0.129 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 142.8 | -179.1 | -71.1 | 81.5 | 0 | 0 | 0 | 111.4 | K128 L154 L275 T276 E278 D280 I318 K319 | K128-W283 HydrophobicContact CD-CD2 3.99Å; K128-W283 HydrophobicContact CD-CE3 3.64Å; K128-W283 HydrophobicContact CD-CH2 3.79Å; K128-W283 HydrophobicContact CD-CZ2 4.12Å; K128-W283 HydrophobicContact CD-CZ3 3.54Å; L154-W283 HydrophobicContact CD2-CH2 3.81Å; L154-W283 HydrophobicContact CD2-CZ3 3.59Å; L275-W283 WeakPolarHBondContact CA-O 3.35Å; T276-W283 PolarHBondContact N-O 3.35Å; T276-W283 PolarHBondContact O-N 3.47Å; E278-W283 VanDerWaalsContact CD-CD1 3.47Å; D280-W283 PolarHBondContact OD1-NE1 3.07Å; D280-W283 PolarHBondContact OD2-NE1 3.48Å; W283-I318 WeakPolarHBondContact CA-O 3.36Å; W283-K319 HydrophobicContact CD2-CB 3.93Å; W283-K319 HydrophobicContact CD2-CG 4.35Å; W283-K319 HydrophobicContact CE3-CB 4.07Å; W283-K319 VanDerWaalsContact CE3-N 3.33Å; W283-K319 HydrophobicContact CH2-CB 3.88Å; W283-K319 HydrophobicContact CZ2-CB 3.73Å; W283-K319 HydrophobicContact CZ2-CD 4.27Å; W283-K319 HydrophobicContact CZ2-CG 4.12Å; W283-K319 HydrophobicContact CZ3-CB 4.04Å |
| 284 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.3 | 171.4 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | I273 Q274 L275 I292 I294 S317 I318 A320 I349 | I273-V284 HydrophobicContact CB-CG1 4.18Å; I273-V284 HydrophobicContact CD1-CG1 4.1Å; I273-V284 HydrophobicContact CG2-CG1 4.24Å; Q274-V284 WeakPolarHBondContact O-CA 3.4Å; L275-V284 HydrophobicContact CD1-CG2 3.59Å; V284-I292 HydrophobicContact CG1-CD1 3.68Å; V284-I294 HydrophobicContact CB-CD1 3.91Å; V284-I294 HydrophobicContact CG1-CD1 3.8Å; V284-I294 HydrophobicContact CG2-CD1 4.14Å; V284-S317 WeakPolarHBondContact O-CA 3.47Å; V284-I318 HydrophobicContact CB-CG2 4.3Å; V284-I318 PolarHBondContact N-O 3.37Å; V284-I318 PolarHBondContact O-N 2.73Å; V284-A320 HydrophobicContact CB-CB 4.36Å; V284-A320 HydrophobicContact CG2-CB 3.63Å; V284-I349 HydrophobicContact CG1-CD1 4.42Å; V284-I349 HydrophobicContact CG2-CD1 3.92Å |
| 285 | Y | 98 | Very high | 96.5 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 6% | 0.059 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.7 | 173.6 | 171.1 | -132.7 | 0 | 0 | 0 | 110.3 | R117 L130 I273 Q274 R287 S317 | R117-Y285 PolarHBondContact NH1-OH 3.06Å; R117-Y285 PolarHBondContact NH2-OH 3.16Å; L130-Y285 HydrophobicContact CD1-CD1 3.81Å; L130-Y285 HydrophobicContact CD1-CE1 3.46Å; L130-Y285 VanDerWaalsContact CD1-CE1 3.46Å; L130-Y285 HydrophobicContact CD1-CE2 4.35Å; L130-Y285 HydrophobicContact CD1-CG 4.4Å; L130-Y285 HydrophobicContact CD2-CD1 3.93Å; L130-Y285 HydrophobicContact CD2-CD2 4.17Å; L130-Y285 HydrophobicContact CD2-CE1 4.38Å; L130-Y285 HydrophobicContact CD2-CG 3.82Å; I273-Y285 CarbonylContact C-O 3.35Å; I273-Y285 VanDerWaalsContact CA-O 3.29Å; I273-Y285 WeakPolarHBondContact CA-O 3.36Å; Q274-Y285 HydrophobicContact CB-CD1 4.32Å; Q274-Y285 PolarHBondContact N-O 3.04Å; Q274-Y285 PolarHBondContact O-N 3.47Å; Y285-R287 HydrophobicContact CD1-CG 3.56Å; Y285-R287 HydrophobicContact CE1-CG 3.45Å; Y285-R287 VanDerWaalsContact CE1-CG 3.45Å; Y285-R287 HydrophobicContact CG-CG 4.4Å; Y285-R287 PolarHBondContact O-N 2.84Å; Y285-S317 WeakPolarHBondContact CB-OG 3.16Å; Y285-S317 WeakPolarHBondContact CD2-OG 3.44Å |
| 286 | N | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 110.6 | 179 | -173.6 | 3.1 | 0 | 0 | 0 | 111.3 | S288 Y290 I292 V312 F313 G315 F316 | N286-S288 VanDerWaalsContact OD1-CB 3.24Å; N286-S288 WeakPolarHBondContact OD1-CB 3.5Å; N286-S288 PolarHBondContact OD1-N 2.8Å; N286-Y290 PolarHBondContact ND2-O 2.74Å; N286-I292 HydrophobicContact CB-CD1 3.97Å; N286-I292 HydrophobicContact CB-CG1 4.3Å; N286-V312 HydrophobicContact CB-CG1 4.17Å; N286-V312 PolarHBondContact ND2-O 3.15Å; N286-F313 PolarHBondContact ND2-O 2.84Å; N286-G315 WeakPolarHBondContact O-CA 3.08Å; N286-G315 PolarHBondContact O-N 3.09Å; N286-F316 PolarHBondContact N-O 3.16Å |
| 287 | R | 96.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 12% | 0.121 | 17% | 0.165 | C | C | . | . | trans | -97.5 | -11.3 | 177.1 | -62.9 | 175.1 | 65.5 | -172.8 | -3.8 | 112.7 | G84 D237 G272 Y285 | G84-R287 PolarHBondContact O-NH2 2.79Å; D237-R287 IonicContact OD1-NH1 2.82Å; D237-R287 PolarHBondContact OD1-NH1 3.27Å; D237-R287 IonicContact OD2-NH1 2.81Å; D237-R287 PolarHBondContact OD2-NH1 3.41Å; D237-R287 VanDerWaalsContact OD2-NH1 3.15Å; G272-R287 CarbonylContact O-C 3.48Å; G272-R287 WeakPolarHBondContact O-CA 3Å; G272-R287 WeakPolarHBondContact O-CB 3.32Å; G272-R287 PolarHBondContact O-N 2.73Å; Y285-R287 HydrophobicContact CD1-CG 3.56Å; Y285-R287 HydrophobicContact CE1-CG 3.45Å; Y285-R287 VanDerWaalsContact CE1-CG 3.45Å; Y285-R287 HydrophobicContact CG-CG 4.4Å; Y285-R287 PolarHBondContact O-N 2.84Å | ||
| 288 | S | 95.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -67.3 | 160 | 178 | -173 | 0 | 0 | 0 | 0 | 111.4 | K268 I269 G272 N286 Y290 P314 | K268-S288 PolarHBondContact O-OG 2.97Å; I269-S288 VanDerWaalsContact O-CB 3.3Å; I269-S288 WeakPolarHBondContact O-CB 3.38Å; I269-S288 PolarHBondContact O-OG 3.42Å; G272-S288 PolarHBondContact O-N 2.83Å; N286-S288 VanDerWaalsContact OD1-CB 3.24Å; N286-S288 WeakPolarHBondContact OD1-CB 3.5Å; N286-S288 PolarHBondContact OD1-N 2.8Å; S288-Y290 PolarHBondContact OG-N 2.63Å; S288-P314 WeakPolarHBondContact O-CB 3.3Å; S288-P314 WeakPolarHBondContact O-CG 3.3Å |
| 289 | C | 95.3 | Very high | 95.1 | Very high | 79 Ų | 79 | 27.5 Ų | 27.5 | 53% | 0.534 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -79.8 | -3.3 | 167.8 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | P314 | C289-P314 WeakPolarHBondContact O-CG 3.34Š|
| 290 | Y | 97.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 21.8 Ų | 21.8 | 27% | 0.271 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -119.8 | 155 | 179.7 | -62.6 | -83.2 | 0 | 0 | 0 | 112.1 | K268 N286 S288 V352 | K268-Y290 HydrophobicContact CB-CD2 3.71Å; K268-Y290 HydrophobicContact CB-CE2 3.61Å; K268-Y290 HydrophobicContact CB-CG 4.45Å; K268-Y290 HydrophobicContact CD-CD2 4.42Å; K268-Y290 HydrophobicContact CD-CE1 4.09Å; K268-Y290 HydrophobicContact CD-CE2 3.91Å; K268-Y290 HydrophobicContact CG-CD2 4.13Å; K268-Y290 HydrophobicContact CG-CE2 3.53Å; K268-Y290 WeakPolarHBondContact O-CD2 3.32Å; N286-Y290 PolarHBondContact ND2-O 2.74Å; S288-Y290 PolarHBondContact OG-N 2.63Å; Y290-V352 HydrophobicContact CG-CG2 4.26Å |
| 291 | P | 97.9 | Very high | 93.5 | Very high | 28 Ų | 28 | 23 Ų | 23 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | trans | -62.1 | 148.6 | 173.2 | -21.1 | 32.9 | 0 | 0 | 0 | 112.4 | F293 K311 V312 F313 V352 | P291-F293 HydrophobicContact CB-CE2 4.23Å; P291-F293 HydrophobicContact CB-CZ 4.3Å; P291-K311 HydrophobicContact CB-CD 4.46Å; P291-K311 HydrophobicContact CB-CG 4.01Å; P291-V312 WeakPolarHBondContact CA-O 3.36Å; P291-F313 HydrophobicContact CG-CD1 4.09Å; P291-F313 HydrophobicContact CG-CE1 4.34Å; P291-V352 WeakPolarHBondContact O-CA 3.46Å; P291-V352 PolarHBondContact O-N 3.08Å | ||
| 292 | I | 98.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 162.1 | 164.6 | 65 | -179.8 | 0 | 0 | 0 | 109 | I273 V284 N286 I294 V312 I349 S350 F351 | I273-I292 HydrophobicContact CG2-CD1 3.57Å; I273-I292 HydrophobicContact CG2-CG2 4.06Å; V284-I292 HydrophobicContact CG1-CD1 3.68Å; N286-I292 HydrophobicContact CB-CD1 3.97Å; N286-I292 HydrophobicContact CB-CG1 4.3Å; I292-I294 HydrophobicContact CD1-CD1 3.91Å; I292-I294 HydrophobicContact CD1-CG1 4.35Å; I292-I294 HydrophobicContact CG1-CD1 4.4Å; I292-I294 HydrophobicContact CG1-CG1 4.39Å; I292-V312 HydrophobicContact CD1-CB 4.24Å; I292-V312 HydrophobicContact CG1-CB 3.71Å; I292-V312 HydrophobicContact CG1-CG1 4.42Å; I292-V312 HydrophobicContact CG1-CG2 4.36Å; I292-V312 PolarHBondContact N-O 2.83Å; I292-V312 PolarHBondContact O-N 3.32Å; I292-I349 HydrophobicContact CB-CG2 4.28Å; I292-I349 HydrophobicContact CD1-CG2 4.34Å; I292-S350 CarbonylContact C-O 3.54Å; I292-S350 WeakPolarHBondContact CA-O 3.17Å; I292-F351 HydrophobicContact CG2-CD1 3.87Å; I292-F351 HydrophobicContact CG2-CE1 4.36Å |
| 293 | F | 97.8 | Very high | 90.6 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.5 | -177 | -60.9 | -95.3 | 0 | 0 | 0 | 108.3 | P291 V309 H310 K311 I349 S350 V352 K353 G354 W355 Y359 | P291-F293 HydrophobicContact CB-CE2 4.23Å; P291-F293 HydrophobicContact CB-CZ 4.3Å; F293-V309 HydrophobicContact CB-CG1 3.76Å; F293-V309 HydrophobicContact CD1-CG1 4.39Å; F293-H310 CarbonylContact C-O 3.34Å; F293-H310 WeakPolarHBondContact CA-O 3.22Å; F293-K311 HydrophobicContact CD1-CB 3.96Å; F293-K311 HydrophobicContact CD1-CG 4.05Å; F293-K311 HydrophobicContact CE1-CB 3.88Å; F293-K311 HydrophobicContact CE1-CD 3.76Å; F293-K311 HydrophobicContact CE1-CG 3.57Å; F293-K311 HydrophobicContact CZ-CD 4.13Å; F293-K311 HydrophobicContact CZ-CG 4.04Å; F293-I349 CarbonylContact O-C 3.6Å; F293-I349 VanDerWaalsContact O-CA 3.3Å; F293-I349 WeakPolarHBondContact O-CA 3.35Å; F293-S350 PolarHBondContact N-O 3.25Å; F293-S350 PolarHBondContact O-N 3.39Å; F293-V352 WeakPolarHBondContact CE2-O 3.3Å; F293-K353 WeakPolarHBondContact CD2-O 3.46Å; F293-K353 VanDerWaalsContact CE2-C 3.48Å; F293-G354 VanDerWaalsContact CD1-CA 3.41Å; F293-G354 VanDerWaalsContact CE2-N 3.3Å; F293-W355 HydrophobicContact CB-CE3 4.02Å; F293-W355 HydrophobicContact CB-CZ3 3.58Å; F293-W355 WeakPolarHBondContact O-CH2 3.4Å; F293-W355 VanDerWaalsContact O-CZ3 3.28Å; F293-W355 WeakPolarHBondContact O-CZ3 3.26Å; F293-Y359 HydrophobicContact CD1-CE1 4.15Å; F293-Y359 AromaticContact CD1-CZ 3.82Å; F293-Y359 AromaticContact CE1-CE1 3.56Å; F293-Y359 HydrophobicContact CE1-CE1 3.56Å; F293-Y359 AromaticContact CE1-CZ 3.6Å; F293-Y359 VanDerWaalsContact CE1-OH 3.27Å; F293-Y359 WeakPolarHBondContact CE1-OH 3.4Å; F293-Y359 HydrophobicContact CZ-CE1 4.34Å |
| 294 | I | 96.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.2 | -169.6 | -57.8 | -171 | 0 | 0 | 0 | 109.9 | V284 I292 L299 V309 H310 V312 I318 A320 V347 Q348 I349 | V284-I294 HydrophobicContact CB-CD1 3.91Å; V284-I294 HydrophobicContact CG1-CD1 3.8Å; V284-I294 HydrophobicContact CG2-CD1 4.14Å; I292-I294 HydrophobicContact CD1-CD1 3.91Å; I292-I294 HydrophobicContact CD1-CG1 4.35Å; I292-I294 HydrophobicContact CG1-CD1 4.4Å; I292-I294 HydrophobicContact CG1-CG1 4.39Å; I294-L299 HydrophobicContact CG2-CD1 3.89Å; I294-V309 CarbonylContact O-C 3.41Å; I294-V309 WeakPolarHBondContact O-CA 3.29Å; I294-H310 PolarHBondContact N-O 3.16Å; I294-H310 PolarHBondContact O-N 3.46Å; I294-V312 HydrophobicContact CD1-CG2 4.02Å; I294-V312 HydrophobicContact CG1-CG2 4.29Å; I294-I318 HydrophobicContact CD1-CG2 3.74Å; I294-A320 HydrophobicContact CG2-CB 4.24Å; I294-V347 HydrophobicContact CG2-CG1 3.9Å; I294-Q348 CarbonylContact C-O 3.49Å; I294-Q348 WeakPolarHBondContact CA-O 3.44Å; I294-I349 HydrophobicContact CD1-CD1 4.39Å; I294-I349 HydrophobicContact CD1-CG1 4.36Å; I294-I349 HydrophobicContact CG1-CG1 4.13Å; I294-I349 HydrophobicContact CG1-CG2 4.09Å; I294-I349 HydrophobicContact CG2-CG1 4.44Å |
| 295 | K | 93.1 | Very high | 87.5 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 27% | 0.27 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.4 | 170.9 | -172.7 | -177.5 | -179.7 | -173.1 | 0 | 109.1 | L307 V309 Q348 W355 | K295-L307 HydrophobicContact CD-CB 4.45Å; K295-L307 HydrophobicContact CG-CB 4.27Å; K295-V309 HydrophobicContact CB-CG2 4.28Å; K295-V309 HydrophobicContact CD-CG2 4.36Å; K295-V309 HydrophobicContact CG-CG2 4.5Å; K295-Q348 HydrophobicContact CB-CB 4.34Å; K295-Q348 PolarHBondContact N-O 2.92Å; K295-Q348 PolarHBondContact O-N 2.83Å; K295-W355 HydrophobicContact CB-CH2 3.98Å; K295-W355 HydrophobicContact CB-CZ2 3.46Å; K295-W355 VanDerWaalsContact CB-CZ2 3.46Å; K295-W355 HydrophobicContact CD-CZ2 4.14Å; K295-W355 HydrophobicContact CG-CZ2 4.43Å |
| 296 | S | 92.3 | Very high | 86 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 142.5 | -179 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | T298 L299 A320 V347 | S296-T298 PolarHBondContact O-N 2.85Å; S296-T298 PolarHBondContact OG-OG1 3.34Å; S296-L299 PolarHBondContact O-N 3.1Å; S296-A320 WeakPolarHBondContact CB-O 3.3Å; S296-A320 PolarHBondContact OG-O 3.39Å; S296-V347 WeakPolarHBondContact OG-CG2 3.35Å |
| 297 | A | 87.9 | Confident | 84.8 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L329 | A297-L329 HydrophobicContact CB-CD1 4.05Š|
| 298 | T | 89.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -5 | -173.5 | 66.8 | 0 | 0 | 0 | 0 | 114 | S296 A320 F321 D322 K325 A326 | S296-T298 PolarHBondContact O-N 2.85Å; S296-T298 PolarHBondContact OG-OG1 3.34Å; T298-A320 PolarHBondContact OG1-O 2.8Å; T298-F321 HydrophobicContact CG2-CD2 3.89Å; T298-F321 HydrophobicContact CG2-CE2 3.81Å; T298-F321 VanDerWaalsContact OG1-CA 3.3Å; T298-F321 WeakPolarHBondContact OG1-CA 3.46Å; T298-D322 WeakPolarHBondContact CG2-O 3.34Å; T298-D322 PolarHBondContact OG1-N 2.73Å; T298-K325 HydrophobicContact CG2-CB 4.11Å; T298-K325 WeakPolarHBondContact O-CD 3.31Å; T298-A326 HydrophobicContact CG2-CB 3.8Å |
| 299 | L | 88.1 | Confident | 84 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -29.9 | 178.4 | -78 | 175.8 | 0 | 0 | 0 | 112.4 | L157 I294 S296 I318 K319 | L157-L299 HydrophobicContact CD2-CD2 4.31Å; I294-L299 HydrophobicContact CG2-CD1 3.89Å; S296-L299 PolarHBondContact O-N 3.1Å; L299-I318 HydrophobicContact CD1-CD1 4.16Å; L299-I318 HydrophobicContact CD2-CD1 3.79Å; L299-I318 HydrophobicContact CD2-CG1 3.96Å; L299-K319 WeakPolarHBondContact CD2-O 3.25Å |
| 300 | D | 80.1 | Confident | 83.9 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -94.6 | 163.1 | -175.6 | -59.1 | -48.4 | 0 | 0 | 0 | 111.3 | L307 L308 H310 | D300-L307 HydrophobicContact CB-CD2 4.26Å; D300-L307 WeakPolarHBondContact OD2-CA 2.83Å; D300-L307 WeakPolarHBondContact OD2-CD2 3.29Å; D300-L308 WeakPolarHBondContact OD1-CB 3.39Å; D300-L308 PolarHBondContact OD2-N 3.03Å; D300-H310 IonicContact OD1-CE1 3.72Å; D300-H310 IonicContact OD1-NE2 2.92Å; D300-H310 PolarHBondContact OD1-NE2 2.76Å |
| 301 | N | 71.1 | Confident | 83.8 | Confident | 95 Ų | 95 | 53.4 Ų | 53.4 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | trans | -62.7 | 133.3 | 171.7 | -177.8 | -27.5 | 0 | 0 | 0 | 108.9 | D303 S304 | N301-D303 PolarHBondContact O-N 3.48Å; N301-D303 VanDerWaalsContact O-N 3.1Å; N301-D303 WeakPolarHBondContact OD1-CB 3.49Å; N301-D303 PolarHBondContact OD1-N 2.88Å; N301-S304 WeakPolarHBondContact O-CB 3.28Å; N301-S304 PolarHBondContact O-N 3.03Å | ||
| 302 | P | 67.1 | Low | 83.8 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -28 | 175 | 21.9 | -35.3 | 0 | 0 | 0 | 114 | S304 L329 | P302-S304 VanDerWaalsContact C-N 3.29Å; P302-S304 PolarHBondContact O-N 3.37Å; P302-L329 HydrophobicContact CB-CD2 4.11Å |
| 303 | D | 64.8 | Low | 83.7 | Confident | 140 Ų | 140 | 55.9 Ų | 55.9 | 75% | 0.749 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.8 | 177.3 | -59.6 | -37.3 | 0 | 0 | 0 | 113.3 | N301 R305 | N301-D303 PolarHBondContact O-N 3.48Å; N301-D303 VanDerWaalsContact O-N 3.1Å; N301-D303 WeakPolarHBondContact OD1-CB 3.49Å; N301-D303 PolarHBondContact OD1-N 2.88Å; D303-R305 PolarHBondContact O-N 3.29Å |
| 304 | S | 67.6 | Low | 83.7 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | trans | -71.6 | 125 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | N301 P302 T306 | N301-S304 WeakPolarHBondContact O-CB 3.28Å; N301-S304 PolarHBondContact O-N 3.03Å; P302-S304 VanDerWaalsContact C-N 3.29Å; P302-S304 PolarHBondContact O-N 3.37Å; S304-T306 PolarHBondContact O-N 3.33Å; S304-T306 PolarHBondContact OG-N 3.2Å; S304-T306 PolarHBondContact OG-O 3.3Å | ||
| 305 | R | 64.3 | Low | 83.6 | Confident | 244 Ų | 244 | 57.1 Ų | 57.1 | 92% | 0.921 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -76.4 | -8.9 | 175.9 | -62.7 | -173.7 | -177.8 | -177 | -0 | 113.4 | D303 | D303-R305 PolarHBondContact O-N 3.29Š|
| 306 | T | 66.5 | Low | 83.9 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -133.8 | 123.7 | -176.2 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | S304 | S304-T306 PolarHBondContact O-N 3.33Å; S304-T306 PolarHBondContact OG-N 3.2Å; S304-T306 PolarHBondContact OG-O 3.3Å |
| 307 | L | 72.3 | Confident | 84.1 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 41% | 0.414 | 29% | 0.288 | S | S | . | . | trans | -73.6 | 124.7 | 172.1 | -66.1 | -179.7 | 0 | 0 | 0 | 110.4 | K295 D300 | K295-L307 HydrophobicContact CD-CB 4.45Å; K295-L307 HydrophobicContact CG-CB 4.27Å; D300-L307 HydrophobicContact CB-CD2 4.26Å; D300-L307 WeakPolarHBondContact OD2-CA 2.83Å; D300-L307 WeakPolarHBondContact OD2-CD2 3.29Å | ||
| 308 | L | 85.3 | Confident | 84.6 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | trans | -88.6 | 156.7 | -177.4 | -60.3 | 178.2 | 0 | 0 | 0 | 111.4 | D300 | D300-L308 WeakPolarHBondContact OD1-CB 3.39Å; D300-L308 PolarHBondContact OD2-N 3.03Å | ||
| 309 | V | 90.9 | Very high | 84.9 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | trans | -104.5 | 109.8 | 173.5 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | F293 I294 K295 W355 | F293-V309 HydrophobicContact CB-CG1 3.76Å; F293-V309 HydrophobicContact CD1-CG1 4.39Å; I294-V309 CarbonylContact O-C 3.41Å; I294-V309 WeakPolarHBondContact O-CA 3.29Å; K295-V309 HydrophobicContact CB-CG2 4.28Å; K295-V309 HydrophobicContact CD-CG2 4.36Å; K295-V309 HydrophobicContact CG-CG2 4.5Å; V309-W355 WeakPolarHBondContact CB-O 3.47Å; V309-W355 HydrophobicContact CG1-CD2 4.14Å; V309-W355 HydrophobicContact CG1-CE3 3.89Å; V309-W355 HydrophobicContact CG1-CH2 4.02Å; V309-W355 HydrophobicContact CG1-CZ2 4.27Å; V309-W355 HydrophobicContact CG1-CZ3 3.82Å; V309-W355 HydrophobicContact CG2-CD2 4.05Å; V309-W355 HydrophobicContact CG2-CG 4.42Å; V309-W355 HydrophobicContact CG2-CH2 4.49Å; V309-W355 HydrophobicContact CG2-CZ2 3.92Å; V309-W355 VanDerWaalsContact CG2-O 3.23Å; V309-W355 WeakPolarHBondContact CG2-O 3.4Å | ||
| 310 | H | 92.9 | Very high | 85.3 | Confident | 26 Ų | 26 | 57 Ų | 57 | 12% | 0.12 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.3 | -176.1 | -65.8 | -85.2 | 0 | 0 | 0 | 110.4 | L157 F293 I294 D300 I318 | L157-H310 VanDerWaalsContact CD2-CE1 3.46Å; L157-H310 WeakPolarHBondContact CD2-CE1 3.44Å; L157-H310 WeakPolarHBondContact CD2-ND1 3.41Å; F293-H310 CarbonylContact C-O 3.34Å; F293-H310 WeakPolarHBondContact CA-O 3.22Å; I294-H310 PolarHBondContact N-O 3.16Å; I294-H310 PolarHBondContact O-N 3.46Å; D300-H310 IonicContact OD1-CE1 3.72Å; D300-H310 IonicContact OD1-NE2 2.92Å; D300-H310 PolarHBondContact OD1-NE2 2.76Å; H310-I318 HydrophobicContact CB-CD1 4.08Å |
| 311 | K | 95.5 | Very high | 86 | Confident | 85 Ų | 85 | 56.3 Ų | 56.3 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.8 | 178.4 | -177.9 | -178.6 | -178.2 | -177 | 0 | 110.2 | P291 F293 F313 | P291-K311 HydrophobicContact CB-CD 4.46Å; P291-K311 HydrophobicContact CB-CG 4.01Å; F293-K311 HydrophobicContact CD1-CB 3.96Å; F293-K311 HydrophobicContact CD1-CG 4.05Å; F293-K311 HydrophobicContact CE1-CB 3.88Å; F293-K311 HydrophobicContact CE1-CD 3.76Å; F293-K311 HydrophobicContact CE1-CG 3.57Å; F293-K311 HydrophobicContact CZ-CD 4.13Å; F293-K311 HydrophobicContact CZ-CG 4.04Å; K311-F313 HydrophobicContact CD-CE1 4.41Å; K311-F313 HydrophobicContact CD-CE2 4.41Å; K311-F313 HydrophobicContact CD-CZ 4.02Å |
| 312 | V | 97.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.4 | -179.1 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | N286 P291 I292 I294 F316 I318 | N286-V312 HydrophobicContact CB-CG1 4.17Å; N286-V312 PolarHBondContact ND2-O 3.15Å; P291-V312 WeakPolarHBondContact CA-O 3.36Å; I292-V312 HydrophobicContact CD1-CB 4.24Å; I292-V312 HydrophobicContact CG1-CB 3.71Å; I292-V312 HydrophobicContact CG1-CG1 4.42Å; I292-V312 HydrophobicContact CG1-CG2 4.36Å; I292-V312 PolarHBondContact N-O 2.83Å; I292-V312 PolarHBondContact O-N 3.32Å; I294-V312 HydrophobicContact CD1-CG2 4.02Å; I294-V312 HydrophobicContact CG1-CG2 4.29Å; V312-F316 HydrophobicContact CG1-CB 3.84Å; V312-I318 HydrophobicContact CG2-CB 4.2Å; V312-I318 HydrophobicContact CG2-CD1 4.31Å; V312-I318 HydrophobicContact CG2-CG2 3.71Å |
| 313 | F | 96.9 | Very high | 88.2 | Confident | 80 Ų | 80 | 49.3 Ų | 49.3 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | trans | -75.8 | 159.9 | -178.1 | -71 | -82.6 | 0 | 0 | 0 | 113.2 | N286 P291 K311 G315 F316 | N286-F313 PolarHBondContact ND2-O 2.84Å; P291-F313 HydrophobicContact CG-CD1 4.09Å; P291-F313 HydrophobicContact CG-CE1 4.34Å; K311-F313 HydrophobicContact CD-CE1 4.41Å; K311-F313 HydrophobicContact CD-CE2 4.41Å; K311-F313 HydrophobicContact CD-CZ 4.02Å; F313-G315 PolarHBondContact O-N 3.43Å; F313-F316 HydrophobicContact CB-CD2 3.7Å; F313-F316 HydrophobicContact CB-CE2 3.98Å; F313-F316 HydrophobicContact CB-CG 4.33Å; F313-F316 WeakPolarHBondContact O-CB 3.11Å; F313-F316 PolarHBondContact O-N 3.43Å; F313-F316 VanDerWaalsContact O-N 3.07Å | ||
| 314 | P | 96.6 | Very high | 89.4 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 20% | 0.201 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 129.1 | 170.7 | -33.6 | 40.3 | 0 | 0 | 0 | 113.3 | S288 C289 F316 | S288-P314 WeakPolarHBondContact O-CB 3.3Å; S288-P314 WeakPolarHBondContact O-CG 3.3Å; C289-P314 WeakPolarHBondContact O-CG 3.34Å; P314-F316 VanDerWaalsContact C-N 3.29Å; P314-F316 WeakPolarHBondContact O-CD2 3.3Å; P314-F316 PolarHBondContact O-N 2.94Å |
| 315 | G | 96.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 1.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W118 S152 R153 N286 F313 | W118-G315 WeakPolarHBondContact CZ2-O 3.42Å; S152-G315 WeakPolarHBondContact CA-O 3.5Å; S152-G315 WeakPolarHBondContact CB-O 3.48Å; R153-G315 PolarHBondContact N-O 3.13Å; N286-G315 WeakPolarHBondContact O-CA 3.08Å; N286-G315 PolarHBondContact O-N 3.09Å; F313-G315 PolarHBondContact O-N 3.43Å |
| 316 | F | 97.8 | Very high | 91.6 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 152.7 | 175.2 | -72.2 | -114.5 | 0 | 0 | 0 | 111.7 | R153 L154 N286 V312 F313 P314 | R153-F316 HydrophobicContact CB-CD1 3.51Å; R153-F316 HydrophobicContact CB-CD2 4.03Å; R153-F316 HydrophobicContact CB-CE1 3.5Å; R153-F316 HydrophobicContact CB-CE2 4.01Å; R153-F316 HydrophobicContact CB-CG 3.79Å; R153-F316 HydrophobicContact CB-CZ 3.76Å; R153-F316 HydrophobicContact CG-CE1 4.37Å; R153-F316 HydrophobicContact CG-CE2 4.5Å; R153-F316 HydrophobicContact CG-CZ 4.24Å; R153-F316 CarbonylContact O-C 3.56Å; R153-F316 WeakPolarHBondContact O-CA 3.42Å; L154-F316 WeakPolarHBondContact O-CD1 3.3Å; N286-F316 PolarHBondContact N-O 3.16Å; V312-F316 HydrophobicContact CG1-CB 3.84Å; F313-F316 HydrophobicContact CB-CD2 3.7Å; F313-F316 HydrophobicContact CB-CE2 3.98Å; F313-F316 HydrophobicContact CB-CG 4.33Å; F313-F316 WeakPolarHBondContact O-CB 3.11Å; F313-F316 PolarHBondContact O-N 3.43Å; F313-F316 VanDerWaalsContact O-N 3.07Å; P314-F316 VanDerWaalsContact C-N 3.29Å; P314-F316 WeakPolarHBondContact O-CD2 3.3Å; P314-F316 PolarHBondContact O-N 2.94Å |
| 317 | S | 98.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.7 | 172.8 | -65.7 | 0 | 0 | 0 | 0 | 110.8 | S152 R153 C155 V284 Y285 | S152-S317 WeakPolarHBondContact CB-OG 2.87Å; S152-S317 VanDerWaalsContact OG-CB 3.32Å; S152-S317 WeakPolarHBondContact OG-CB 3.49Å; S152-S317 PolarHBondContact OG-OG 2.67Å; R153-S317 PolarHBondContact O-N 2.71Å; C155-S317 WeakPolarHBondContact CB-O 3.38Å; C155-S317 PolarHBondContact N-O 3.46Å; V284-S317 WeakPolarHBondContact O-CA 3.47Å; Y285-S317 WeakPolarHBondContact CB-OG 3.16Å; Y285-S317 WeakPolarHBondContact CD2-OG 3.44Å |
| 318 | I | 97.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.3 | 173.5 | -169.6 | 173.7 | 0 | 0 | 0 | 109.6 | C155 L157 W283 V284 I294 L299 H310 V312 A320 | C155-I318 HydrophobicContact CB-CB 3.93Å; C155-I318 HydrophobicContact CB-CD1 4.4Å; C155-I318 HydrophobicContact CB-CG1 4.24Å; L157-I318 HydrophobicContact CD2-CD1 3.97Å; W283-I318 WeakPolarHBondContact CA-O 3.36Å; V284-I318 HydrophobicContact CB-CG2 4.3Å; V284-I318 PolarHBondContact N-O 3.37Å; V284-I318 PolarHBondContact O-N 2.73Å; I294-I318 HydrophobicContact CD1-CG2 3.74Å; L299-I318 HydrophobicContact CD1-CD1 4.16Å; L299-I318 HydrophobicContact CD2-CD1 3.79Å; L299-I318 HydrophobicContact CD2-CG1 3.96Å; H310-I318 HydrophobicContact CB-CD1 4.08Å; V312-I318 HydrophobicContact CG2-CB 4.2Å; V312-I318 HydrophobicContact CG2-CD1 4.31Å; V312-I318 HydrophobicContact CG2-CG2 3.71Å; I318-A320 VanDerWaalsContact C-N 3.3Å; I318-A320 HydrophobicContact CG2-CB 4.46Å; I318-A320 PolarHBondContact O-N 3.19Å |
| 319 | K | 96.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 23% | 0.226 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 83.9 | 170.2 | -170.4 | -174.8 | -176.3 | -175.6 | 0 | 108.6 | D280 V282 W283 L299 F321 D322 | D280-K319 VanDerWaalsContact C-CE 3.43Å; D280-K319 WeakPolarHBondContact O-CE 3.28Å; D280-K319 PolarHBondContact O-NZ 2.81Å; D280-K319 WeakPolarHBondContact OD2-CD 3.34Å; D280-K319 VanDerWaalsContact OD2-CE 3.31Å; D280-K319 WeakPolarHBondContact OD2-CE 3.26Å; D280-K319 IonicContact OD2-NZ 2.71Å; D280-K319 PolarHBondContact OD2-NZ 3Å; V282-K319 CarbonylContact O-C 3.59Å; W283-K319 HydrophobicContact CD2-CB 3.93Å; W283-K319 HydrophobicContact CD2-CG 4.35Å; W283-K319 HydrophobicContact CE3-CB 4.07Å; W283-K319 VanDerWaalsContact CE3-N 3.33Å; W283-K319 HydrophobicContact CH2-CB 3.88Å; W283-K319 HydrophobicContact CZ2-CB 3.73Å; W283-K319 HydrophobicContact CZ2-CD 4.27Å; W283-K319 HydrophobicContact CZ2-CG 4.12Å; W283-K319 HydrophobicContact CZ3-CB 4.04Å; L299-K319 WeakPolarHBondContact CD2-O 3.25Å; K319-F321 VanDerWaalsContact C-N 3.26Å; K319-F321 PolarHBondContact O-N 2.64Å; K319-D322 WeakPolarHBondContact CE-OD2 3.14Å; K319-D322 IonicContact NZ-OD2 3.67Å; K319-D322 PolarHBondContact NZ-OD2 2.89Å |
| 320 | A | 96.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -24.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V282 V284 I294 S296 T298 I318 V347 | V282-A320 PolarHBondContact O-N 3.01Å; V284-A320 HydrophobicContact CB-CB 4.36Å; V284-A320 HydrophobicContact CG2-CB 3.63Å; I294-A320 HydrophobicContact CG2-CB 4.24Å; S296-A320 WeakPolarHBondContact CB-O 3.3Å; S296-A320 PolarHBondContact OG-O 3.39Å; T298-A320 PolarHBondContact OG1-O 2.8Å; I318-A320 VanDerWaalsContact C-N 3.3Å; I318-A320 HydrophobicContact CG2-CB 4.46Å; I318-A320 PolarHBondContact O-N 3.19Å; A320-V347 HydrophobicContact CB-CG1 4.24Å; A320-V347 HydrophobicContact CB-CG2 4.35Å; A320-V347 WeakPolarHBondContact O-CG2 3.48Å |
| 321 | F | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 142.1 | -179.5 | -166.7 | -108 | 0 | 0 | 0 | 112.5 | G281 V282 T298 K319 Y323 A326 G344 F345 V347 F375 | G281-F321 CarbonylContact C-O 3.46Å; G281-F321 WeakPolarHBondContact CA-O 3.43Å; V282-F321 HydrophobicContact CB-CB 3.86Å; V282-F321 HydrophobicContact CG2-CB 4.12Å; V282-F321 HydrophobicContact CG2-CD1 4.18Å; V282-F321 PolarHBondContact N-O 3.44Å; V282-F321 PolarHBondContact O-N 3.14Å; V282-F321 VanDerWaalsContact O-N 3.1Å; T298-F321 HydrophobicContact CG2-CD2 3.89Å; T298-F321 HydrophobicContact CG2-CE2 3.81Å; T298-F321 VanDerWaalsContact OG1-CA 3.3Å; T298-F321 WeakPolarHBondContact OG1-CA 3.46Å; K319-F321 VanDerWaalsContact C-N 3.26Å; K319-F321 PolarHBondContact O-N 2.64Å; F321-Y323 HydrophobicContact CD1-CD1 4.32Å; F321-Y323 HydrophobicContact CD1-CD2 4.38Å; F321-Y323 HydrophobicContact CD1-CE1 4.3Å; F321-Y323 HydrophobicContact CD1-CE2 4.36Å; F321-Y323 HydrophobicContact CD1-CG 4.36Å; F321-Y323 AromaticContact CE1-CD1 3.65Å; F321-Y323 HydrophobicContact CE1-CD1 3.65Å; F321-Y323 HydrophobicContact CE1-CD2 4.45Å; F321-Y323 AromaticContact CE1-CE1 3.81Å; F321-Y323 HydrophobicContact CE1-CE1 3.81Å; F321-Y323 AromaticContact CE1-CG 3.99Å; F321-Y323 HydrophobicContact CE1-CG 3.99Å; F321-A326 HydrophobicContact CE1-CB 4.17Å; F321-A326 HydrophobicContact CE2-CB 3.72Å; F321-A326 HydrophobicContact CZ-CB 3.31Å; F321-G344 VanDerWaalsContact CE2-O 3.3Å; F321-G344 WeakPolarHBondContact CE2-O 3.28Å; F321-F345 HydrophobicContact CE1-CD1 4.29Å; F321-F345 HydrophobicContact CE1-CE1 4.48Å; F321-F345 HydrophobicContact CZ-CB 4.49Å; F321-F345 AromaticContact CZ-CD1 3.65Å; F321-F345 HydrophobicContact CZ-CD1 3.65Å; F321-F345 AromaticContact CZ-CE1 4Å; F321-F345 HydrophobicContact CZ-CE1 4Å; F321-F345 HydrophobicContact CZ-CG 4.16Å; F321-V347 HydrophobicContact CB-CG2 4.12Å; F321-V347 HydrophobicContact CD2-CG2 4.2Å; F321-F375 HydrophobicContact CB-CD2 4.28Å; F321-F375 HydrophobicContact CB-CE2 3.65Å; F321-F375 HydrophobicContact CB-CZ 3.92Å; F321-F375 AromaticContact CD1-CD2 3.66Å; F321-F375 HydrophobicContact CD1-CD2 3.66Å; F321-F375 AromaticContact CD1-CE2 3.92Å; F321-F375 HydrophobicContact CD1-CE2 3.92Å; F321-F375 HydrophobicContact CD1-CG 4.02Å; F321-F375 HydrophobicContact CD1-CZ 4.49Å; F321-F375 AromaticContact CD2-CD2 3.63Å; F321-F375 HydrophobicContact CD2-CD2 3.63Å; F321-F375 AromaticContact CD2-CE2 3.57Å; F321-F375 HydrophobicContact CD2-CE2 3.57Å; F321-F375 HydrophobicContact CE1-CB 4.17Å; F321-F375 AromaticContact CE1-CD2 3.78Å; F321-F375 HydrophobicContact CE1-CD2 3.78Å; F321-F375 HydrophobicContact CE1-CE2 4.47Å; F321-F375 HydrophobicContact CE1-CG 4.03Å; F321-F375 AromaticContact CE2-CD2 3.75Å; F321-F375 HydrophobicContact CE2-CD2 3.75Å; F321-F375 HydrophobicContact CE2-CE2 4.16Å; F321-F375 AromaticContact CG-CD2 3.57Å; F321-F375 HydrophobicContact CG-CD2 3.57Å; F321-F375 AromaticContact CG-CE2 3.42Å; F321-F375 HydrophobicContact CG-CE2 3.42Å; F321-F375 VanDerWaalsContact CG-CE2 3.42Å; F321-F375 HydrophobicContact CG-CG 4.35Å; F321-F375 HydrophobicContact CG-CZ 4.11Å; F321-F375 HydrophobicContact CZ-CB 4.42Å; F321-F375 AromaticContact CZ-CD2 3.82Å; F321-F375 HydrophobicContact CZ-CD2 3.82Å; F321-F375 HydrophobicContact CZ-CG 4.38Å |
| 322 | D | 93.9 | Very high | 87.4 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | trans | -131.6 | 115.5 | 176.5 | -173.4 | -50.4 | 0 | 0 | 0 | 109.1 | T298 K319 D324 K325 A326 | T298-D322 WeakPolarHBondContact CG2-O 3.34Å; T298-D322 PolarHBondContact OG1-N 2.73Å; K319-D322 WeakPolarHBondContact CE-OD2 3.14Å; K319-D322 IonicContact NZ-OD2 3.67Å; K319-D322 PolarHBondContact NZ-OD2 2.89Å; D322-D324 VanDerWaalsContact C-N 3.33Å; D322-D324 PolarHBondContact O-N 2.84Å; D322-D324 PolarHBondContact OD1-N 2.69Å; D322-D324 VanDerWaalsContact OD1-N 3.09Å; D322-K325 HydrophobicContact CB-CB 4.03Å; D322-K325 HydrophobicContact CB-CD 3.96Å; D322-K325 HydrophobicContact CB-CG 4.01Å; D322-K325 PolarHBondContact O-N 2.92Å; D322-K325 PolarHBondContact OD1-N 2.83Å; D322-K325 VanDerWaalsContact OD1-N 3.13Å; D322-A326 WeakPolarHBondContact O-CB 3.47Å; D322-A326 PolarHBondContact O-N 2.83Å | ||
| 323 | Y | 91.2 | Very high | 85 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | -173.9 | -73.5 | -83.1 | 0 | 0 | 0 | 112.1 | V282 F321 A326 C327 | V282-Y323 HydrophobicContact CG2-CE2 3.89Å; F321-Y323 HydrophobicContact CD1-CD1 4.32Å; F321-Y323 HydrophobicContact CD1-CD2 4.38Å; F321-Y323 HydrophobicContact CD1-CE1 4.3Å; F321-Y323 HydrophobicContact CD1-CE2 4.36Å; F321-Y323 HydrophobicContact CD1-CG 4.36Å; F321-Y323 AromaticContact CE1-CD1 3.65Å; F321-Y323 HydrophobicContact CE1-CD1 3.65Å; F321-Y323 HydrophobicContact CE1-CD2 4.45Å; F321-Y323 AromaticContact CE1-CE1 3.81Å; F321-Y323 HydrophobicContact CE1-CE1 3.81Å; F321-Y323 AromaticContact CE1-CG 3.99Å; F321-Y323 HydrophobicContact CE1-CG 3.99Å; Y323-A326 PolarHBondContact O-N 2.93Å; Y323-C327 PolarHBondContact O-N 2.81Å; Y323-C327 PolarHBondContact O-SG 3.07Å |
| 324 | D | 89.9 | Confident | 82.7 | Confident | 136 Ų | 136 | 61 Ų | 61 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.3 | -41.4 | -176.9 | -62.6 | -27.1 | 0 | 0 | 0 | 110.3 | D322 C327 S328 | D322-D324 VanDerWaalsContact C-N 3.33Å; D322-D324 PolarHBondContact O-N 2.84Å; D322-D324 PolarHBondContact OD1-N 2.69Å; D322-D324 VanDerWaalsContact OD1-N 3.09Å; D324-C327 PolarHBondContact O-N 3.44Å; D324-S328 PolarHBondContact O-N 3.36Å; D324-S328 VanDerWaalsContact O-N 3.11Å |
| 325 | K | 89.1 | Confident | 80.4 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 172.6 | -65.2 | -174.8 | -175.3 | -177.7 | 0 | 112.4 | T298 D322 C327 S328 L329 | T298-K325 HydrophobicContact CG2-CB 4.11Å; T298-K325 WeakPolarHBondContact O-CD 3.31Å; D322-K325 HydrophobicContact CB-CB 4.03Å; D322-K325 HydrophobicContact CB-CD 3.96Å; D322-K325 HydrophobicContact CB-CG 4.01Å; D322-K325 PolarHBondContact O-N 2.92Å; D322-K325 PolarHBondContact OD1-N 2.83Å; D322-K325 VanDerWaalsContact OD1-N 3.13Å; K325-C327 VanDerWaalsContact C-N 3.32Å; K325-C327 PolarHBondContact O-N 3.02Å; K325-S328 PolarHBondContact O-N 2.68Å; K325-S328 PolarHBondContact O-OG 3.28Å; K325-L329 VanDerWaalsContact O-CG 3.24Å; K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 3.32Å; K325-L329 VanDerWaalsContact O-N 3.16Å |
| 326 | A | 88.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65 | -38.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T298 F321 D322 Y323 L329 F345 | T298-A326 HydrophobicContact CG2-CB 3.8Å; F321-A326 HydrophobicContact CE1-CB 4.17Å; F321-A326 HydrophobicContact CE2-CB 3.72Å; F321-A326 HydrophobicContact CZ-CB 3.31Å; D322-A326 WeakPolarHBondContact O-CB 3.47Å; D322-A326 PolarHBondContact O-N 2.83Å; Y323-A326 PolarHBondContact O-N 2.93Å; A326-L329 PolarHBondContact O-N 3.28Å; A326-F345 HydrophobicContact CB-CD1 4.45Å; A326-F345 HydrophobicContact CB-CD2 4.42Å; A326-F345 HydrophobicContact CB-CE1 3.96Å; A326-F345 HydrophobicContact CB-CE2 3.89Å; A326-F345 HydrophobicContact CB-CZ 3.65Å |
| 327 | C | 84.6 | Confident | 75 | Confident | 68 Ų | 68 | 81.3 Ų | 81.3 | 46% | 0.459 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 175.1 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | Y323 D324 K325 L329 Q330 | Y323-C327 PolarHBondContact O-N 2.81Å; Y323-C327 PolarHBondContact O-SG 3.07Å; D324-C327 PolarHBondContact O-N 3.44Å; K325-C327 VanDerWaalsContact C-N 3.32Å; K325-C327 PolarHBondContact O-N 3.02Å; C327-L329 VanDerWaalsContact C-N 3.27Å; C327-L329 PolarHBondContact O-N 2.97Å; C327-Q330 WeakPolarHBondContact O-CB 3.32Å; C327-Q330 PolarHBondContact O-N 3.22Å |
| 328 | S | 82.4 | Confident | 72.2 | Confident | 94 Ų | 94 | 87.1 Ų | 87.1 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -70.7 | -22 | 179.6 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | D324 K325 Q330 | D324-S328 PolarHBondContact O-N 3.36Å; D324-S328 VanDerWaalsContact O-N 3.11Å; K325-S328 PolarHBondContact O-N 2.68Å; K325-S328 PolarHBondContact O-OG 3.28Å; S328-Q330 VanDerWaalsContact C-N 3.3Å |
| 329 | L | 76.6 | Confident | 69.4 | Low | 65 Ų | 65 | 95.8 Ų | 95.8 | 34% | 0.34 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -11.1 | 174.4 | -70.6 | 170.9 | 0 | 0 | 0 | 113.5 | A297 P302 K325 A326 C327 R331 | A297-L329 HydrophobicContact CB-CD1 4.05Å; P302-L329 HydrophobicContact CB-CD2 4.11Å; K325-L329 VanDerWaalsContact O-CG 3.24Å; K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 3.32Å; K325-L329 VanDerWaalsContact O-N 3.16Å; A326-L329 PolarHBondContact O-N 3.28Å; C327-L329 VanDerWaalsContact C-N 3.27Å; C327-L329 PolarHBondContact O-N 2.97Å; L329-R331 PolarHBondContact O-N 3.49Å |
| 330 | Q | 65.6 | Low | 66.6 | Low | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | trans | -67.4 | 117.8 | 176 | -65.8 | -175.6 | -6.9 | 0 | 0 | 109.8 | C327 S328 F345 | C327-Q330 WeakPolarHBondContact O-CB 3.32Å; C327-Q330 PolarHBondContact O-N 3.22Å; S328-Q330 VanDerWaalsContact C-N 3.3Å; Q330-F345 HydrophobicContact CG-CE2 4.3Å | ||
| 331 | R | 58.3 | Low | 64.1 | Low | 188 Ų | 188 | 104 Ų | 104 | 71% | 0.709 | 53% | 0.531 | S | S | * | . | trans | -82.6 | 139.7 | 175.4 | -67.2 | -176.9 | -179.8 | 175.6 | 1.2 | 109.7 | L329 N333 D334 | L329-R331 PolarHBondContact O-N 3.49Å; R331-N333 PolarHBondContact O-N 3.16Å; R331-D334 PolarHBondContact O-N 3.38Å | ||
| 332 | P | 48.1 | Very low | 62.3 | Low | 114 Ų | 114 | 112 Ų | 112 | 74% | 0.74 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -21.9 | -179.6 | -25.7 | 32.7 | 0 | 0 | 0 | 115.6 | H335 | P332-H335 PolarHBondContact O-CD2 3.48Š|
| 333 | N | 45.4 | Very low | 60.8 | Low | 138 Ų | 138 | 116.5 Ų | 116.5 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 7.8 | -176.9 | -77.3 | 1.4 | 0 | 0 | 0 | 114.8 | R331 H335 | R331-N333 PolarHBondContact O-N 3.16Å; N333-H335 PolarHBondContact O-N 3Å |
| 334 | D | 48.6 | Very low | 60.1 | Low | 96 Ų | 96 | 115.9 Ų | 115.9 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -70.3 | -0.2 | 179 | -81.9 | -18.8 | 0 | 0 | 0 | 113.7 | R331 E336 F337 | R331-D334 PolarHBondContact O-N 3.38Å; D334-E336 PolarHBondContact O-N 3.43Å; D334-F337 PolarHBondContact O-N 3.37Å |
| 335 | H | 49.4 | Very low | 60.1 | Low | 164 Ų | 164 | 109.8 Ų | 109.8 | 76% | 0.759 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -63.1 | -24.1 | 174.6 | -70.3 | -72.4 | 0 | 0 | 0 | 113.8 | P332 N333 T338 | P332-H335 PolarHBondContact O-CD2 3.48Å; N333-H335 PolarHBondContact O-N 3Å; H335-T338 PolarHBondContact O-OG1 3.11Å |
| 336 | E | 39.5 | Very low | 60.3 | Low | 176 Ų | 176 | 106 Ų | 106 | 82% | 0.822 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -80.6 | -15 | -177.5 | -72.2 | -108.7 | 112.1 | 0 | 0 | 114 | D334 | D334-E336 PolarHBondContact O-N 3.43Š|
| 337 | F | 40 | Very low | 60.7 | Low | 157 Ų | 157 | 106 Ų | 106 | 69% | 0.689 | 54% | 0.544 | S | S | * | . | trans | -109 | 58.1 | 179.1 | -78.5 | -86.3 | 0 | 0 | 0 | 111.7 | D334 Q339 | D334-F337 PolarHBondContact O-N 3.37Å; F337-Q339 PolarHBondContact O-N 3.46Å | ||
| 338 | T | 39.7 | Very low | 61.3 | Low | 125 Ų | 125 | 104.9 Ų | 104.9 | 77% | 0.767 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 6.4 | -176.8 | -12.5 | 0 | 0 | 0 | 0 | 114.7 | H335 | H335-T338 PolarHBondContact O-OG1 3.11Š|
| 339 | Q | 38.1 | Very low | 62.1 | Low | 188 Ų | 188 | 100.4 Ų | 100.4 | 88% | 0.879 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -5.8 | -174.9 | -67 | -73.2 | -28.6 | 0 | 0 | 114.1 | F337 | F337-Q339 PolarHBondContact O-N 3.46Š|
| 340 | Q | 38.7 | Very low | 63.1 | Low | 140 Ų | 140 | 97.3 Ų | 97.3 | 65% | 0.654 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -100.4 | 136.1 | 176.9 | -148.1 | 82.6 | 42.7 | 0 | 0 | 109.3 | R342 | Q340-R342 PolarHBondContact O-N 3.02Š|
| 341 | P | 44.1 | Very low | 64.7 | Low | 87 Ų | 87 | 92.4 Ų | 92.4 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | trans | -51 | 137.6 | 174.2 | -24.2 | 31.6 | 0 | 0 | 0 | 110 | T343 | P341-T343 VanDerWaalsContact O-CG2 3.3Å; P341-T343 WeakPolarHBondContact O-CG2 3.49Å; P341-T343 PolarHBondContact O-N 2.68Å | ||
| 342 | R | 55.9 | Low | 66.6 | Low | 168 Ų | 168 | 84.5 Ų | 84.5 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | trans | -58.8 | 89 | 176.5 | -70.4 | -176.8 | -177.1 | 175.8 | 0.4 | 109.3 | Q340 G344 F345 T346 T377 | Q340-R342 PolarHBondContact O-N 3.02Å; R342-G344 PolarHBondContact O-N 3.32Å; R342-G344 VanDerWaalsContact O-N 3.07Å; R342-F345 PolarHBondContact O-N 3.45Å; R342-T346 PolarHBondContact O-OG1 3.13Å; R342-T377 PolarHBondContact NH1-OG1 3.35Å | ||
| 343 | T | 63.6 | Low | 68.9 | Low | 111 Ų | 111 | 82.8 Ų | 82.8 | 68% | 0.681 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -59.7 | -27.2 | -170.2 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | P341 F345 | P341-T343 VanDerWaalsContact O-CG2 3.3Å; P341-T343 WeakPolarHBondContact O-CG2 3.49Å; P341-T343 PolarHBondContact O-N 2.68Å; T343-F345 VanDerWaalsContact C-N 3.34Å; T343-F345 PolarHBondContact O-N 3.48Å |
| 344 | G | 76.9 | Confident | 71.2 | Confident | 16 Ų | 16 | 76.6 Ų | 76.6 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -71.5 | -16.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F321 R342 | F321-G344 VanDerWaalsContact CE2-O 3.3Å; F321-G344 WeakPolarHBondContact CE2-O 3.28Å; R342-G344 PolarHBondContact O-N 3.32Å; R342-G344 VanDerWaalsContact O-N 3.07Å |
| 345 | F | 90.1 | Very high | 73.4 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -114.7 | 23.1 | -177.9 | -76.9 | -99.2 | 0 | 0 | 0 | 112.7 | F321 A326 Q330 R342 T343 F375 T377 | F321-F345 HydrophobicContact CE1-CD1 4.29Å; F321-F345 HydrophobicContact CE1-CE1 4.48Å; F321-F345 HydrophobicContact CZ-CB 4.49Å; F321-F345 AromaticContact CZ-CD1 3.65Å; F321-F345 HydrophobicContact CZ-CD1 3.65Å; F321-F345 AromaticContact CZ-CE1 4Å; F321-F345 HydrophobicContact CZ-CE1 4Å; F321-F345 HydrophobicContact CZ-CG 4.16Å; A326-F345 HydrophobicContact CB-CD1 4.45Å; A326-F345 HydrophobicContact CB-CD2 4.42Å; A326-F345 HydrophobicContact CB-CE1 3.96Å; A326-F345 HydrophobicContact CB-CE2 3.89Å; A326-F345 HydrophobicContact CB-CZ 3.65Å; Q330-F345 HydrophobicContact CG-CE2 4.3Å; R342-F345 PolarHBondContact O-N 3.45Å; T343-F345 VanDerWaalsContact C-N 3.34Å; T343-F345 PolarHBondContact O-N 3.48Å; F345-F375 HydrophobicContact CD1-CB 4.39Å; F345-F375 VanDerWaalsContact O-CD2 3.29Å; F345-F375 WeakPolarHBondContact O-CD2 3.28Å; F345-F375 PolarHBondContact O-N 2.94Å; F345-T377 HydrophobicContact CD1-CG2 3.73Å; F345-T377 HydrophobicContact CD2-CG2 4.2Å; F345-T377 HydrophobicContact CE1-CG2 3.48Å; F345-T377 VanDerWaalsContact CE1-CG2 3.48Å; F345-T377 HydrophobicContact CE2-CG2 3.99Å; F345-T377 HydrophobicContact CG-CG2 4.1Å; F345-T377 HydrophobicContact CZ-CG2 3.62Å |
| 346 | T | 92.3 | Very high | 75.3 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.4 | -178.3 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | R342 E372 V373 I374 | R342-T346 PolarHBondContact O-OG1 3.13Å; T346-E372 HydrophobicContact CG2-CG 3.47Å; T346-E372 VanDerWaalsContact CG2-CG 3.47Å; T346-V373 CarbonylContact C-O 3.57Å; T346-V373 VanDerWaalsContact CA-O 3.28Å; T346-V373 WeakPolarHBondContact CA-O 3.37Å; T346-I374 HydrophobicContact CG2-CG1 4.47Å |
| 347 | V | 96.1 | Very high | 77.3 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.6 | 168.6 | 165.4 | 0 | 0 | 0 | 0 | 108.9 | I294 S296 A320 F321 I349 V373 F375 | I294-V347 HydrophobicContact CG2-CG1 3.9Å; S296-V347 WeakPolarHBondContact OG-CG2 3.35Å; A320-V347 HydrophobicContact CB-CG1 4.24Å; A320-V347 HydrophobicContact CB-CG2 4.35Å; A320-V347 WeakPolarHBondContact O-CG2 3.48Å; F321-V347 HydrophobicContact CB-CG2 4.12Å; F321-V347 HydrophobicContact CD2-CG2 4.2Å; V347-I349 HydrophobicContact CG1-CD1 3.95Å; V347-I349 HydrophobicContact CG1-CG1 3.68Å; V347-V373 HydrophobicContact CB-CB 4.34Å; V347-V373 PolarHBondContact N-O 3.36Å; V347-V373 PolarHBondContact O-N 3.12Å; V347-F375 HydrophobicContact CB-CE2 3.96Å; V347-F375 HydrophobicContact CB-CZ 4.23Å; V347-F375 HydrophobicContact CG2-CE2 3.53Å; V347-F375 HydrophobicContact CG2-CZ 3.99Å |
| 348 | Q | 97.6 | Very high | 79.4 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126.5 | 178.9 | -82.1 | -176.7 | -13 | 0 | 0 | 109.8 | I294 K295 W355 I364 L371 | I294-Q348 CarbonylContact C-O 3.49Å; I294-Q348 WeakPolarHBondContact CA-O 3.44Å; K295-Q348 HydrophobicContact CB-CB 4.34Å; K295-Q348 PolarHBondContact N-O 2.92Å; K295-Q348 PolarHBondContact O-N 2.83Å; Q348-W355 HydrophobicContact CB-CH2 4.43Å; Q348-W355 HydrophobicContact CB-CZ2 4.26Å; Q348-I364 HydrophobicContact CB-CD1 3.54Å; Q348-I364 HydrophobicContact CG-CD1 3.95Å; Q348-L371 WeakPolarHBondContact CA-O 3.44Å |
| 349 | I | 98.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 118.4 | -174.5 | -50.8 | 178.4 | 0 | 0 | 0 | 110.4 | I273 V284 I292 F293 I294 V347 W370 L371 V373 | I273-I349 HydrophobicContact CD1-CD1 3.84Å; I273-I349 HydrophobicContact CD1-CG2 4.47Å; V284-I349 HydrophobicContact CG1-CD1 4.42Å; V284-I349 HydrophobicContact CG2-CD1 3.92Å; I292-I349 HydrophobicContact CB-CG2 4.28Å; I292-I349 HydrophobicContact CD1-CG2 4.34Å; F293-I349 CarbonylContact O-C 3.6Å; F293-I349 VanDerWaalsContact O-CA 3.3Å; F293-I349 WeakPolarHBondContact O-CA 3.35Å; I294-I349 HydrophobicContact CD1-CD1 4.39Å; I294-I349 HydrophobicContact CD1-CG1 4.36Å; I294-I349 HydrophobicContact CG1-CG1 4.13Å; I294-I349 HydrophobicContact CG1-CG2 4.09Å; I294-I349 HydrophobicContact CG2-CG1 4.44Å; V347-I349 HydrophobicContact CG1-CD1 3.95Å; V347-I349 HydrophobicContact CG1-CG1 3.68Å; I349-W370 CarbonylContact O-C 3.11Å; I349-W370 WeakPolarHBondContact O-CA 3.49Å; I349-W370 VanDerWaalsContact O-CB 3.3Å; I349-W370 WeakPolarHBondContact O-CB 3.16Å; I349-L371 HydrophobicContact CB-CB 4.31Å; I349-L371 PolarHBondContact N-O 2.87Å; I349-L371 PolarHBondContact O-N 3.1Å; I349-V373 HydrophobicContact CD1-CG2 4.35Å |
| 350 | S | 98.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.4 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | I292 F293 K353 C367 | I292-S350 CarbonylContact C-O 3.54Å; I292-S350 WeakPolarHBondContact CA-O 3.17Å; F293-S350 PolarHBondContact N-O 3.25Å; F293-S350 PolarHBondContact O-N 3.39Å; S350-K353 VanDerWaalsContact CB-O 3.28Å; S350-K353 WeakPolarHBondContact CB-O 3.37Å; S350-K353 PolarHBondContact OG-O 3.3Å; S350-C367 VanDerWaalsContact OG-CB 3.3Å; S350-C367 WeakPolarHBondContact OG-CB 3.15Å; S350-C367 PolarHBondContact OG-SG 3.36Å; S350-C367 VanDerWaalsContact OG-SG 3.39Å |
| 351 | F | 98.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.4 | 174.6 | -63.6 | -78.7 | 0 | 0 | 0 | 111.1 | L250 V265 I269 I273 I292 K353 C369 L371 | L250-F351 HydrophobicContact CD1-CE2 3.89Å; L250-F351 HydrophobicContact CD1-CZ 4.1Å; V265-F351 HydrophobicContact CG1-CB 4.28Å; I269-F351 HydrophobicContact CD1-CB 4.46Å; I269-F351 HydrophobicContact CD1-CD2 3.81Å; I269-F351 HydrophobicContact CD1-CE2 4.1Å; I269-F351 HydrophobicContact CD1-CG 4.06Å; I269-F351 HydrophobicContact CG1-CB 3.93Å; I269-F351 HydrophobicContact CG1-CD1 4.06Å; I269-F351 HydrophobicContact CG1-CD2 4.07Å; I269-F351 HydrophobicContact CG1-CG 3.77Å; I269-F351 HydrophobicContact CG2-CD1 4.06Å; I269-F351 HydrophobicContact CG2-CE1 3.87Å; I269-F351 HydrophobicContact CG2-CZ 4.2Å; I273-F351 HydrophobicContact CG2-CE1 4.13Å; I292-F351 HydrophobicContact CG2-CD1 3.87Å; I292-F351 HydrophobicContact CG2-CE1 4.36Å; F351-K353 PolarHBondContact O-N 3.45Å; F351-C369 HydrophobicContact CD2-CB 4.3Å; F351-C369 PolarHBondContact N-O 2.86Å; F351-L371 HydrophobicContact CE2-CD1 3.81Å; F351-L371 HydrophobicContact CE2-CD2 4.31Å; F351-L371 HydrophobicContact CE2-CG 3.72Å; F351-L371 HydrophobicContact CZ-CD1 3.63Å; F351-L371 HydrophobicContact CZ-CG 4.1Å |
| 352 | V | 97.8 | Very high | 89 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 66.4 | -36.2 | 171.3 | -171.5 | 0 | 0 | 0 | 0 | 115.4 | V265 K268 Y290 P291 F293 | V265-V352 HydrophobicContact CG1-CB 4.08Å; V265-V352 HydrophobicContact CG1-CG2 3.99Å; V265-V352 HydrophobicContact CG2-CB 4.35Å; K268-V352 HydrophobicContact CB-CG2 3.76Å; K268-V352 HydrophobicContact CD-CG1 4.27Å; Y290-V352 HydrophobicContact CG-CG2 4.26Å; P291-V352 WeakPolarHBondContact O-CA 3.46Å; P291-V352 PolarHBondContact O-N 3.08Å; F293-V352 WeakPolarHBondContact CE2-O 3.3Å |
| 353 | K | 97.1 | Very high | 90.8 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 34% | 0.335 | 28% | 0.279 | S | S | . | . | trans | -116 | 125.1 | -174.3 | -59 | -58.4 | -175.2 | 178.1 | 0 | 110.7 | V265 F293 S350 F351 P368 | V265-K353 HydrophobicContact CG2-CG 4.16Å; F293-K353 WeakPolarHBondContact CD2-O 3.46Å; F293-K353 VanDerWaalsContact CE2-C 3.48Å; S350-K353 VanDerWaalsContact CB-O 3.28Å; S350-K353 WeakPolarHBondContact CB-O 3.37Å; S350-K353 PolarHBondContact OG-O 3.3Å; F351-K353 PolarHBondContact O-N 3.45Å; K353-P368 HydrophobicContact CG-CG 4.11Å | ||
| 354 | G | 93.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | trans | -83.4 | 164.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F293 | F293-G354 VanDerWaalsContact CD1-CA 3.41Å; F293-G354 VanDerWaalsContact CE2-N 3.3Å | ||
| 355 | W | 94.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | trans | -144.3 | 169.4 | 174.9 | 78.9 | 100 | 0 | 0 | 0 | 111.1 | F293 K295 V309 Q348 Y359 R361 I364 | F293-W355 HydrophobicContact CB-CE3 4.02Å; F293-W355 HydrophobicContact CB-CZ3 3.58Å; F293-W355 WeakPolarHBondContact O-CH2 3.4Å; F293-W355 VanDerWaalsContact O-CZ3 3.28Å; F293-W355 WeakPolarHBondContact O-CZ3 3.26Å; K295-W355 HydrophobicContact CB-CH2 3.98Å; K295-W355 HydrophobicContact CB-CZ2 3.46Å; K295-W355 VanDerWaalsContact CB-CZ2 3.46Å; K295-W355 HydrophobicContact CD-CZ2 4.14Å; K295-W355 HydrophobicContact CG-CZ2 4.43Å; V309-W355 WeakPolarHBondContact CB-O 3.47Å; V309-W355 HydrophobicContact CG1-CD2 4.14Å; V309-W355 HydrophobicContact CG1-CE3 3.89Å; V309-W355 HydrophobicContact CG1-CH2 4.02Å; V309-W355 HydrophobicContact CG1-CZ2 4.27Å; V309-W355 HydrophobicContact CG1-CZ3 3.82Å; V309-W355 HydrophobicContact CG2-CD2 4.05Å; V309-W355 HydrophobicContact CG2-CG 4.42Å; V309-W355 HydrophobicContact CG2-CH2 4.49Å; V309-W355 HydrophobicContact CG2-CZ2 3.92Å; V309-W355 VanDerWaalsContact CG2-O 3.23Å; V309-W355 WeakPolarHBondContact CG2-O 3.4Å; Q348-W355 HydrophobicContact CB-CH2 4.43Å; Q348-W355 HydrophobicContact CB-CZ2 4.26Å; W355-Y359 VanDerWaalsContact C-CD2 3.43Å; W355-Y359 WeakPolarHBondContact O-CD2 3.24Å; W355-R361 CarbonylContact C-O 3.54Å; W355-R361 WeakPolarHBondContact CA-O 3.27Å; W355-R361 HydrophobicContact CB-CB 3.95Å; W355-R361 WeakPolarHBondContact CB-O 3.37Å; W355-I364 HydrophobicContact CD2-CB 4.15Å; W355-I364 HydrophobicContact CD2-CG1 4.25Å; W355-I364 HydrophobicContact CE3-CG1 4.43Å; W355-I364 HydrophobicContact CG-CB 4.34Å; W355-I364 HydrophobicContact CH2-CD1 3.77Å; W355-I364 HydrophobicContact CH2-CG1 4.4Å; W355-I364 HydrophobicContact CZ2-CB 4.22Å; W355-I364 HydrophobicContact CZ2-CD1 3.71Å; W355-I364 HydrophobicContact CZ2-CG1 4.18Å; W355-I364 HydrophobicContact CZ3-CD1 4.24Å | ||
| 356 | G | 88.7 | Confident | 93.6 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 102.2 | -169 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C358 Y359 R361 | G356-C358 PolarHBondContact O-N 3.07Å; G356-C358 VanDerWaalsContact O-N 3.13Å; G356-Y359 PolarHBondContact O-N 3.18Å; G356-Y359 VanDerWaalsContact O-O 3.12Å; G356-R361 PolarHBondContact N-O 3.39Å |
| 357 | Q | 82 | Confident | 93.9 | Very high | 148 Ų | 148 | 49.9 Ų | 49.9 | 69% | 0.692 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.4 | -168.8 | -65.9 | 174.3 | -2.3 | 0 | 0 | 114 | Y359 | Q357-Y359 VanDerWaalsContact C-N 3.29Å; Q357-Y359 PolarHBondContact O-N 3.01Å |
| 358 | C | 84.2 | Confident | 94 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 78% | 0.777 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 7.1 | 179.9 | -53.7 | 0 | 0 | 0 | 0 | 113.6 | G356 | G356-C358 PolarHBondContact O-N 3.07Å; G356-C358 VanDerWaalsContact O-N 3.13Å |
| 359 | Y | 89.4 | Confident | 94 | Very high | 69 Ų | 69 | 47.8 Ų | 47.8 | 27% | 0.271 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -133.3 | 159.9 | -173.5 | -59 | -85.8 | 0 | 0 | 0 | 111.3 | F293 W355 G356 Q357 R361 Q362 | F293-Y359 HydrophobicContact CD1-CE1 4.15Å; F293-Y359 AromaticContact CD1-CZ 3.82Å; F293-Y359 AromaticContact CE1-CE1 3.56Å; F293-Y359 HydrophobicContact CE1-CE1 3.56Å; F293-Y359 AromaticContact CE1-CZ 3.6Å; F293-Y359 VanDerWaalsContact CE1-OH 3.27Å; F293-Y359 WeakPolarHBondContact CE1-OH 3.4Å; F293-Y359 HydrophobicContact CZ-CE1 4.34Å; W355-Y359 VanDerWaalsContact C-CD2 3.43Å; W355-Y359 WeakPolarHBondContact O-CD2 3.24Å; G356-Y359 PolarHBondContact O-N 3.18Å; G356-Y359 VanDerWaalsContact O-O 3.12Å; Q357-Y359 VanDerWaalsContact C-N 3.29Å; Q357-Y359 PolarHBondContact O-N 3.01Å; Y359-R361 PolarHBondContact O-N 2.76Å; Y359-Q362 PolarHBondContact O-NE2 3.26Å |
| 360 | T | 89.4 | Confident | 94 | Very high | 139 Ų | 139 | 48.4 Ų | 48.4 | 85% | 0.853 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -66.2 | -30.1 | 175.8 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 361 | R | 92.3 | Very high | 94 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 25% | 0.249 | 25% | 0.254 | C | S | . | . | trans | -86.1 | 121.1 | 176.5 | -61.9 | -179.4 | -175.4 | -65.4 | -13.3 | 108.9 | L261 W355 G356 Y359 S366 | L261-R361 VanDerWaalsContact CD2-NH2 3.27Å; W355-R361 CarbonylContact C-O 3.54Å; W355-R361 WeakPolarHBondContact CA-O 3.27Å; W355-R361 HydrophobicContact CB-CB 3.95Å; W355-R361 WeakPolarHBondContact CB-O 3.37Å; G356-R361 PolarHBondContact N-O 3.39Å; Y359-R361 PolarHBondContact O-N 2.76Å; R361-S366 WeakPolarHBondContact CD-O 3.36Å; R361-S366 PolarHBondContact NH1-O 3.28Å | ||
| 362 | Q | 91.7 | Very high | 94 | Very high | 100 Ų | 100 | 50 Ų | 50 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | trans | -86.2 | -32.4 | 179.6 | -62.6 | -52.5 | -47.7 | 0 | 0 | 112.9 | Y359 | Y359-Q362 PolarHBondContact O-NE2 3.26Š| ||
| 363 | F | 93.6 | Very high | 94 | Very high | 143 Ų | 143 | 48.9 Ų | 48.9 | 63% | 0.627 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -115 | 148 | -176.7 | -56.4 | -77.8 | 0 | 0 | 0 | 111.4 | S365 S366 | F363-S365 PolarHBondContact O-N 3.47Å; F363-S366 VanDerWaalsContact O-CB 3.26Å; F363-S366 WeakPolarHBondContact O-CB 3.23Å; F363-S366 PolarHBondContact O-N 2.95Å |
| 364 | I | 95.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -63.1 | -31.2 | 176.2 | -169.2 | 165.6 | 0 | 0 | 0 | 112.2 | Q348 W355 S366 C367 W370 | Q348-I364 HydrophobicContact CB-CD1 3.54Å; Q348-I364 HydrophobicContact CG-CD1 3.95Å; W355-I364 HydrophobicContact CD2-CB 4.15Å; W355-I364 HydrophobicContact CD2-CG1 4.25Å; W355-I364 HydrophobicContact CE3-CG1 4.43Å; W355-I364 HydrophobicContact CG-CB 4.34Å; W355-I364 HydrophobicContact CH2-CD1 3.77Å; W355-I364 HydrophobicContact CH2-CG1 4.4Å; W355-I364 HydrophobicContact CZ2-CB 4.22Å; W355-I364 HydrophobicContact CZ2-CD1 3.71Å; W355-I364 HydrophobicContact CZ2-CG1 4.18Å; W355-I364 HydrophobicContact CZ3-CD1 4.24Å; I364-S366 PolarHBondContact O-N 2.88Å; I364-S366 VanDerWaalsContact O-N 3.14Å; I364-C367 WeakPolarHBondContact O-CA 3.39Å; I364-C367 WeakPolarHBondContact O-CB 3.36Å; I364-C367 PolarHBondContact O-N 3.13Å; I364-W370 HydrophobicContact CD1-CB 4.08Å; I364-W370 HydrophobicContact CD1-CD2 3.74Å; I364-W370 HydrophobicContact CD1-CE3 3.33Å; I364-W370 HydrophobicContact CD1-CG 4.08Å; I364-W370 HydrophobicContact CD1-CZ3 4Å; I364-W370 HydrophobicContact CG1-CB 4.04Å; I364-W370 HydrophobicContact CG1-CD2 3.6Å; I364-W370 HydrophobicContact CG1-CE3 3.72Å; I364-W370 HydrophobicContact CG1-CG 3.76Å; I364-W370 HydrophobicContact CG1-CZ3 4.39Å; I364-W370 HydrophobicContact CG2-CE3 4.41Å; I364-W370 HydrophobicContact CG2-CH2 4.28Å; I364-W370 HydrophobicContact CG2-CZ2 4.41Å; I364-W370 HydrophobicContact CG2-CZ3 4.26Å |
| 365 | S | 96.6 | Very high | 93.9 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -69.2 | -8.8 | 175.9 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | E221 F363 C367 | E221-S365 CarbonylContact C-O 3.6Å; E221-S365 VanDerWaalsContact CA-O 3.25Å; E221-S365 WeakPolarHBondContact CA-O 3.17Å; E221-S365 WeakPolarHBondContact O-CA 3.01Å; F363-S365 PolarHBondContact O-N 3.47Å; S365-C367 VanDerWaalsContact C-N 3.34Å |
| 366 | S | 96.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -84.2 | -8.7 | 166 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | R361 F363 I364 | R361-S366 WeakPolarHBondContact CD-O 3.36Å; R361-S366 PolarHBondContact NH1-O 3.28Å; F363-S366 VanDerWaalsContact O-CB 3.26Å; F363-S366 WeakPolarHBondContact O-CB 3.23Å; F363-S366 PolarHBondContact O-N 2.95Å; I364-S366 PolarHBondContact O-N 2.88Å; I364-S366 VanDerWaalsContact O-N 3.14Å |
| 367 | C | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -79.2 | 138.9 | 178.8 | -68.9 | 0 | 0 | 0 | 0 | 111 | E221 S350 I364 S365 C369 | E221-C367 VanDerWaalsContact CA-O 3.28Å; E221-C367 WeakPolarHBondContact CA-O 3.41Å; E221-C367 PolarHBondContact N-O 3.17Å; S350-C367 VanDerWaalsContact OG-CB 3.3Å; S350-C367 WeakPolarHBondContact OG-CB 3.15Å; S350-C367 PolarHBondContact OG-SG 3.36Å; S350-C367 VanDerWaalsContact OG-SG 3.39Å; I364-C367 WeakPolarHBondContact O-CA 3.39Å; I364-C367 WeakPolarHBondContact O-CB 3.36Å; I364-C367 PolarHBondContact O-N 3.13Å; S365-C367 VanDerWaalsContact C-N 3.34Å; C367-C369 PolarHBondContact O-N 2.93Å |
| 368 | P | 98.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -64.9 | -37.7 | -175 | -23.6 | 35.4 | 0 | 0 | 0 | 113.9 | E220 E221 L261 V262 V265 K353 | E220-P368 VanDerWaalsContact CA-O 3.26Å; E220-P368 WeakPolarHBondContact CA-O 3.07Å; E221-P368 PolarHBondContact N-O 3.42Å; L261-P368 HydrophobicContact CD1-CG 4.47Å; L261-P368 HydrophobicContact CD2-CG 3.63Å; L261-P368 HydrophobicContact CG-CB 4.23Å; L261-P368 HydrophobicContact CG-CG 3.63Å; V262-P368 HydrophobicContact CB-CB 4.47Å; V262-P368 HydrophobicContact CG2-CB 3.88Å; V265-P368 HydrophobicContact CB-CB 4.04Å; V265-P368 HydrophobicContact CG1-CB 4.41Å; V265-P368 HydrophobicContact CG2-CB 3.94Å; V265-P368 HydrophobicContact CG2-CG 3.99Å; K353-P368 HydrophobicContact CG-CG 4.11Å |
| 369 | C | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -143.2 | 123.1 | -180 | -56.9 | 0 | 0 | 0 | 0 | 109.3 | Y218 W219 V265 R266 I269 F351 C367 | Y218-C369 HydrophobicContact CE2-CB 4.03Å; Y218-C369 PolarHBondContact OH-SG 2.89Å; W219-C369 WeakPolarHBondContact O-CA 3.44Å; V265-C369 HydrophobicContact CG1-CB 3.73Å; R266-C369 VanDerWaalsContact CG-SG 3.6Å; I269-C369 HydrophobicContact CD1-CB 4.3Å; F351-C369 HydrophobicContact CD2-CB 4.3Å; F351-C369 PolarHBondContact N-O 2.86Å; C367-C369 PolarHBondContact O-N 2.93Å |
| 370 | W | 98.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 164.2 | -179.6 | 63.5 | -80.3 | 0 | 0 | 0 | 112.1 | Y218 W219 E221 I349 I364 E372 | Y218-W370 WeakPolarHBondContact CD2-O 3.24Å; W219-W370 HydrophobicContact CB-CD2 3.67Å; W219-W370 HydrophobicContact CB-CE3 4.35Å; W219-W370 HydrophobicContact CB-CG 4.04Å; W219-W370 HydrophobicContact CB-CH2 4.21Å; W219-W370 HydrophobicContact CB-CZ2 3.51Å; W219-W370 VanDerWaalsContact CB-NE1 3.29Å; W219-W370 AromaticContact CD1-CE3 3.93Å; W219-W370 AromaticContact CD1-CH2 3.59Å; W219-W370 AromaticContact CD1-CZ2 3.81Å; W219-W370 AromaticContact CD1-CZ3 3.68Å; W219-W370 AromaticContact CD2-CH2 3.84Å; W219-W370 HydrophobicContact CD2-CH2 3.84Å; W219-W370 AromaticContact CD2-CZ2 3.65Å; W219-W370 HydrophobicContact CD2-CZ2 3.65Å; W219-W370 AromaticContact CE2-CH2 3.95Å; W219-W370 HydrophobicContact CE3-CZ2 4.07Å; W219-W370 HydrophobicContact CG-CD2 4.07Å; W219-W370 AromaticContact CG-CE2 3.62Å; W219-W370 HydrophobicContact CG-CE3 4.29Å; W219-W370 AromaticContact CG-CH2 3.65Å; W219-W370 HydrophobicContact CG-CH2 3.65Å; W219-W370 AromaticContact CG-CZ2 3.39Å; W219-W370 HydrophobicContact CG-CZ2 3.39Å; W219-W370 HydrophobicContact CG-CZ3 4.12Å; W219-W370 PolarHBondContact N-O 3.37Å; W219-W370 AromaticContact NE1-CH2 3.75Å; W219-W370 AromaticContact NE1-CZ3 3.99Å; W219-W370 PolarHBondContact O-N 3.46Å; E221-W370 PolarHBondContact O-NE1 3.5Å; I349-W370 CarbonylContact O-C 3.11Å; I349-W370 WeakPolarHBondContact O-CA 3.49Å; I349-W370 VanDerWaalsContact O-CB 3.3Å; I349-W370 WeakPolarHBondContact O-CB 3.16Å; I364-W370 HydrophobicContact CD1-CB 4.08Å; I364-W370 HydrophobicContact CD1-CD2 3.74Å; I364-W370 HydrophobicContact CD1-CE3 3.33Å; I364-W370 HydrophobicContact CD1-CG 4.08Å; I364-W370 HydrophobicContact CD1-CZ3 4Å; I364-W370 HydrophobicContact CG1-CB 4.04Å; I364-W370 HydrophobicContact CG1-CD2 3.6Å; I364-W370 HydrophobicContact CG1-CE3 3.72Å; I364-W370 HydrophobicContact CG1-CG 3.76Å; I364-W370 HydrophobicContact CG1-CZ3 4.39Å; I364-W370 HydrophobicContact CG2-CE3 4.41Å; I364-W370 HydrophobicContact CG2-CH2 4.28Å; I364-W370 HydrophobicContact CG2-CZ2 4.41Å; I364-W370 HydrophobicContact CG2-CZ3 4.26Å; W370-E372 HydrophobicContact CZ3-CB 3.9Å |
| 371 | L | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.7 | 178.9 | -59.4 | 170.1 | 0 | 0 | 0 | 109.9 | V216 A217 Y218 I238 L250 I273 Q348 I349 F351 | V216-L371 HydrophobicContact CG1-CB 4.49Å; V216-L371 HydrophobicContact CG1-CD2 3.97Å; A217-L371 VanDerWaalsContact O-CA 3.3Å; A217-L371 WeakPolarHBondContact O-CA 3.3Å; Y218-L371 HydrophobicContact CD2-CD2 3.78Å; Y218-L371 HydrophobicContact CG-CD2 4.38Å; I238-L371 HydrophobicContact CD1-CD1 3.88Å; I238-L371 HydrophobicContact CG2-CD1 4.03Å; I238-L371 HydrophobicContact CG2-CD2 4.39Å; L250-L371 HydrophobicContact CD2-CD2 4.46Å; I273-L371 HydrophobicContact CD1-CD1 3.84Å; Q348-L371 WeakPolarHBondContact CA-O 3.44Å; I349-L371 HydrophobicContact CB-CB 4.31Å; I349-L371 PolarHBondContact N-O 2.87Å; I349-L371 PolarHBondContact O-N 3.1Å; F351-L371 HydrophobicContact CE2-CD1 3.81Å; F351-L371 HydrophobicContact CE2-CD2 4.31Å; F351-L371 HydrophobicContact CE2-CG 3.72Å; F351-L371 HydrophobicContact CZ-CD1 3.63Å; F351-L371 HydrophobicContact CZ-CG 4.1Å |
| 372 | E | 98.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 16% | 0.164 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.2 | 163 | -168.4 | 168.7 | -122.5 | 0 | 0 | 108.1 | V216 A217 T346 W370 I374 | V216-E372 WeakPolarHBondContact CA-O 3.16Å; A217-E372 HydrophobicContact CB-CB 4.3Å; A217-E372 PolarHBondContact N-O 3.41Å; A217-E372 PolarHBondContact O-N 2.8Å; T346-E372 HydrophobicContact CG2-CG 3.47Å; T346-E372 VanDerWaalsContact CG2-CG 3.47Å; W370-E372 HydrophobicContact CZ3-CB 3.9Å; E372-I374 HydrophobicContact CG-CG1 4.19Å |
| 373 | V | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.3 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 107.7 | C214 V216 L275 T346 V347 I349 F375 | C214-V373 HydrophobicContact CB-CG1 4.13Å; V216-V373 HydrophobicContact CG1-CG2 4.38Å; V216-V373 HydrophobicContact CG2-CG1 4.33Å; V216-V373 HydrophobicContact CG2-CG2 4.33Å; L275-V373 HydrophobicContact CD2-CG1 3.94Å; T346-V373 CarbonylContact C-O 3.57Å; T346-V373 VanDerWaalsContact CA-O 3.28Å; T346-V373 WeakPolarHBondContact CA-O 3.37Å; V347-V373 HydrophobicContact CB-CB 4.34Å; V347-V373 PolarHBondContact N-O 3.36Å; V347-V373 PolarHBondContact O-N 3.12Å; I349-V373 HydrophobicContact CD1-CG2 4.35Å; V373-F375 HydrophobicContact CB-CZ 4.25Å; V373-F375 HydrophobicContact CG1-CD1 4.33Å; V373-F375 HydrophobicContact CG1-CE1 3.54Å; V373-F375 HydrophobicContact CG1-CE2 4.38Å; V373-F375 HydrophobicContact CG1-CZ 3.59Å |
| 374 | I | 95.5 | Very high | 92.2 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 33% | 0.328 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.4 | -175.4 | -55.3 | 167.6 | 0 | 0 | 0 | 107.6 | C214 V215 T346 E372 | C214-I374 CarbonylContact C-O 3.56Å; C214-I374 WeakPolarHBondContact CA-O 3.44Å; C214-I374 VanDerWaalsContact CB-O 3.27Å; C214-I374 WeakPolarHBondContact CB-O 3.49Å; V215-I374 PolarHBondContact N-O 3.45Å; V215-I374 PolarHBondContact O-N 2.96Å; T346-I374 HydrophobicContact CG2-CG1 4.47Å; E372-I374 HydrophobicContact CG-CG1 4.19Å |
| 375 | F | 93.3 | Very high | 92 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.7 | -178.8 | -55.6 | -69.1 | 0 | 0 | 0 | 111.4 | W213 C214 V282 F321 F345 V347 V373 | W213-F375 HydrophobicContact CE3-CD1 4.15Å; W213-F375 HydrophobicContact CE3-CE1 4.39Å; W213-F375 AromaticContact CZ3-CD1 4Å; W213-F375 HydrophobicContact CZ3-CD1 4Å; W213-F375 AromaticContact CZ3-CE1 3.77Å; W213-F375 HydrophobicContact CZ3-CE1 3.77Å; C214-F375 HydrophobicContact CB-CD1 3.6Å; C214-F375 HydrophobicContact CB-CE1 3.97Å; V282-F375 HydrophobicContact CB-CE1 4.13Å; V282-F375 HydrophobicContact CB-CZ 4.24Å; V282-F375 HydrophobicContact CG1-CE1 3.96Å; V282-F375 HydrophobicContact CG1-CZ 4.22Å; V282-F375 HydrophobicContact CG2-CD1 4.11Å; V282-F375 HydrophobicContact CG2-CE1 3.74Å; V282-F375 HydrophobicContact CG2-CZ 4.21Å; F321-F375 HydrophobicContact CB-CD2 4.28Å; F321-F375 HydrophobicContact CB-CE2 3.65Å; F321-F375 HydrophobicContact CB-CZ 3.92Å; F321-F375 AromaticContact CD1-CD2 3.66Å; F321-F375 HydrophobicContact CD1-CD2 3.66Å; F321-F375 AromaticContact CD1-CE2 3.92Å; F321-F375 HydrophobicContact CD1-CE2 3.92Å; F321-F375 HydrophobicContact CD1-CG 4.02Å; F321-F375 HydrophobicContact CD1-CZ 4.49Å; F321-F375 AromaticContact CD2-CD2 3.63Å; F321-F375 HydrophobicContact CD2-CD2 3.63Å; F321-F375 AromaticContact CD2-CE2 3.57Å; F321-F375 HydrophobicContact CD2-CE2 3.57Å; F321-F375 HydrophobicContact CE1-CB 4.17Å; F321-F375 AromaticContact CE1-CD2 3.78Å; F321-F375 HydrophobicContact CE1-CD2 3.78Å; F321-F375 HydrophobicContact CE1-CE2 4.47Å; F321-F375 HydrophobicContact CE1-CG 4.03Å; F321-F375 AromaticContact CE2-CD2 3.75Å; F321-F375 HydrophobicContact CE2-CD2 3.75Å; F321-F375 HydrophobicContact CE2-CE2 4.16Å; F321-F375 AromaticContact CG-CD2 3.57Å; F321-F375 HydrophobicContact CG-CD2 3.57Å; F321-F375 AromaticContact CG-CE2 3.42Å; F321-F375 HydrophobicContact CG-CE2 3.42Å; F321-F375 VanDerWaalsContact CG-CE2 3.42Å; F321-F375 HydrophobicContact CG-CG 4.35Å; F321-F375 HydrophobicContact CG-CZ 4.11Å; F321-F375 HydrophobicContact CZ-CB 4.42Å; F321-F375 AromaticContact CZ-CD2 3.82Å; F321-F375 HydrophobicContact CZ-CD2 3.82Å; F321-F375 HydrophobicContact CZ-CG 4.38Å; F345-F375 HydrophobicContact CD1-CB 4.39Å; F345-F375 VanDerWaalsContact O-CD2 3.29Å; F345-F375 WeakPolarHBondContact O-CD2 3.28Å; F345-F375 PolarHBondContact O-N 2.94Å; V347-F375 HydrophobicContact CB-CE2 3.96Å; V347-F375 HydrophobicContact CB-CZ 4.23Å; V347-F375 HydrophobicContact CG2-CE2 3.53Å; V347-F375 HydrophobicContact CG2-CZ 3.99Å; V373-F375 HydrophobicContact CB-CZ 4.25Å; V373-F375 HydrophobicContact CG1-CD1 4.33Å; V373-F375 HydrophobicContact CG1-CE1 3.54Å; V373-F375 HydrophobicContact CG1-CE2 4.38Å; V373-F375 HydrophobicContact CG1-CZ 3.59Å |
| 376 | N | 87.4 | Confident | 91.6 | Very high | 60 Ų | 60 | 41.1 Ų | 41.1 | 32% | 0.321 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -77.1 | 130.1 | 172.9 | -72.3 | -12.3 | 0 | 0 | 0 | 109.8 | H212 W213 R378 | H212-N376 PolarHBondContact CD2-ND2 2.98Å; H212-N376 PolarHBondContact NE2-ND2 2.91Å; H212-N376 PolarHBondContact O-ND2 2.95Å; W213-N376 PolarHBondContact O-N 2.71Å; W213-N376 VanDerWaalsContact O-N 3.16Å; N376-R378 PolarHBondContact O-N 3.07Å |
| 377 | T | 71.6 | Confident | 91.2 | Very high | 53 Ų | 53 | 41 Ų | 41 | 33% | 0.325 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 127.5 | 163.4 | 46.5 | 0 | 0 | 0 | 0 | 107.2 | R342 F345 | R342-T377 PolarHBondContact NH1-OG1 3.35Å; F345-T377 HydrophobicContact CD1-CG2 3.73Å; F345-T377 HydrophobicContact CD2-CG2 4.2Å; F345-T377 HydrophobicContact CE1-CG2 3.48Å; F345-T377 VanDerWaalsContact CE1-CG2 3.48Å; F345-T377 HydrophobicContact CE2-CG2 3.99Å; F345-T377 HydrophobicContact CG-CG2 4.1Å; F345-T377 HydrophobicContact CZ-CG2 3.62Å |
| 378 | R | 58 | Low | 90.5 | Very high | 261 Ų | 261 | 44.7 Ų | 44.7 | 99% | 0.985 | 20% | 0.2 | S | C | * | . | trans | -55.2 | 0 | 179 | -71.2 | -173.2 | -173.4 | -172.2 | 4.3 | 112.3 | N376 | N376-R378 PolarHBondContact O-N 3.07Š|
Retrieved 378 of 378 residues in 141.3 ms
(Link to these results)