| 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 | 64.7 | Low | 91.2 | Very high | 88 Ų | 88 | 73.6 Ų | 73.6 | 43% | 0.433 | 40% | 0.398 | S | S | . | . | 0 | -32.3 | 0 | -60.7 | -168.4 | 172.9 | 0 | 0 | 112.8 | G3 Q4 F6 V18 D20 T22 | M1-G3 PolarHBondContact O-N 2.68Å; M1-Q4 WeakPolarHBondContact O-CB 3.13Å; M1-Q4 PolarHBondContact O-N 3.18Å; M1-F6 HydrophobicContact CE-CD1 4.12Å; M1-F6 HydrophobicContact CE-CD2 3.21Å; M1-F6 HydrophobicContact CE-CE1 3.99Å; M1-F6 HydrophobicContact CE-CE2 3.09Å; M1-F6 HydrophobicContact CE-CG 3.75Å; M1-F6 HydrophobicContact CE-CZ 3.5Å; M1-F6 HydrophobicContact SD-CB 4.17Å; M1-F6 HydrophobicContact SD-CD1 4.44Å; M1-F6 HydrophobicContact SD-CD2 3.68Å; M1-F6 HydrophobicContact SD-CE2 4.19Å; M1-F6 HydrophobicContact SD-CG 3.83Å; M1-V18 HydrophobicContact CE-CG1 3.9Å; M1-V18 HydrophobicContact SD-CG1 3.45Å; M1-V18 WeakPolarHBondContact SD-CG1 3.22Å; M1-D20 VanDerWaalsContact CA-OD2 3.25Å; M1-D20 WeakPolarHBondContact CA-OD2 3.16Å; M1-D20 HydrophobicContact CB-CB 4.24Å; M1-D20 VanDerWaalsContact CB-OD2 3.3Å; M1-D20 WeakPolarHBondContact CB-OD2 3.41Å; M1-D20 PolarHBondContact N-OD2 3.08Å; M1-T22 HydrophobicContact CB-CG2 4.49Å; M1-T22 HydrophobicContact SD-CG2 4.03Å | |||
| 2 | A | 79.9 | Confident | 91.8 | Very high | 71 Ų | 71 | 78.7 Ų | 78.7 | 59% | 0.587 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 23.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | D20 R21 | A2-D20 PolarHBondContact N-OD2 3.03Å; A2-D20 VanDerWaalsContact N-OD2 3.15Å; A2-R21 PolarHBondContact O-NH2 3.28Å |
| 3 | G | 82.8 | Confident | 92.2 | Very high | 19 Ų | 19 | 78.6 Ų | 78.6 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 25.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | M1 R21 A23 | M1-G3 PolarHBondContact O-N 2.68Å; G3-R21 WeakPolarHBondContact CA-O 3.36Å; G3-R21 PolarHBondContact N-O 3.46Å; G3-A23 WeakPolarHBondContact O-CB 3.28Å; G3-A23 PolarHBondContact O-N 3.31Å |
| 4 | Q | 92.5 | Very high | 92.7 | Very high | 140 Ų | 140 | 76.5 Ų | 76.5 | 65% | 0.654 | 42% | 0.42 | S | S | * | . | trans | -88.9 | 167.7 | 168.9 | -66.8 | -178 | -13.7 | 0 | 0 | 111.3 | M1 T22 A23 | M1-Q4 WeakPolarHBondContact O-CB 3.13Å; M1-Q4 PolarHBondContact O-N 3.18Å; Q4-T22 WeakPolarHBondContact O-CA 3.21Å; Q4-A23 PolarHBondContact O-N 2.99Å | ||
| 5 | Q | 94.9 | Very high | 93 | Very high | 109 Ų | 109 | 81 Ų | 81 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 143.2 | 168.8 | 174.6 | 173.9 | -12.3 | 0 | 0 | 110 | S24 I26 | Q5-S24 CarbonylContact C-O 3.56Å; Q5-S24 WeakPolarHBondContact CA-O 3.42Å; Q5-S24 WeakPolarHBondContact CB-OG 3.5Å; Q5-S24 VanDerWaalsContact CG-OG 3.28Å; Q5-S24 WeakPolarHBondContact CG-OG 3.11Å; Q5-I26 VanDerWaalsContact NE2-CD1 3.32Å |
| 6 | F | 96.9 | Very high | 93.3 | Very high | 67 Ų | 67 | 77.8 Ų | 77.8 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.5 | 171.2 | -166.5 | -108.3 | 0 | 0 | 0 | 110.8 | M1 I8 V18 T22 S24 I25 I26 | M1-F6 HydrophobicContact CE-CD1 4.12Å; M1-F6 HydrophobicContact CE-CD2 3.21Å; M1-F6 HydrophobicContact CE-CE1 3.99Å; M1-F6 HydrophobicContact CE-CE2 3.09Å; M1-F6 HydrophobicContact CE-CG 3.75Å; M1-F6 HydrophobicContact CE-CZ 3.5Å; M1-F6 HydrophobicContact SD-CB 4.17Å; M1-F6 HydrophobicContact SD-CD1 4.44Å; M1-F6 HydrophobicContact SD-CD2 3.68Å; M1-F6 HydrophobicContact SD-CE2 4.19Å; M1-F6 HydrophobicContact SD-CG 3.83Å; F6-I8 HydrophobicContact CD1-CD1 4.48Å; F6-I8 HydrophobicContact CD1-CG1 3.99Å; F6-I8 HydrophobicContact CE1-CD1 4.28Å; F6-I8 HydrophobicContact CE1-CG1 3.66Å; F6-V18 HydrophobicContact CD1-CG1 4.12Å; F6-V18 HydrophobicContact CD1-CG2 3.88Å; F6-V18 HydrophobicContact CE1-CG1 4.47Å; F6-V18 HydrophobicContact CE1-CG2 3.62Å; F6-T22 HydrophobicContact CB-CG2 4.15Å; F6-S24 PolarHBondContact N-O 3.03Å; F6-I25 HydrophobicContact CB-CG1 4.49Å; F6-I25 VanDerWaalsContact O-CA 3.27Å; F6-I25 WeakPolarHBondContact O-CA 3.4Å; F6-I26 PolarHBondContact O-N 3.37Å |
| 7 | T | 98 | Very high | 93.4 | Very high | 55 Ų | 55 | 80.7 Ų | 80.7 | 34% | 0.337 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.3 | -175.2 | -67.3 | 0 | 0 | 0 | 0 | 109.3 | E9 I26 | T7-E9 HydrophobicContact CG2-CB 4.49Å; T7-E9 HydrophobicContact CG2-CG 3.45Å; T7-E9 VanDerWaalsContact CG2-CG 3.45Å; T7-E9 WeakPolarHBondContact CG2-OE1 3.23Å; T7-I26 CarbonylContact C-O 3.56Å; T7-I26 WeakPolarHBondContact CA-O 3.28Å |
| 8 | I | 98.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 76.6 Ų | 76.6 | 4% | 0.036 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.7 | 175.3 | -60 | 169.7 | 0 | 0 | 0 | 106.5 | F6 I16 V18 I26 I27 D28 I35 L37 | F6-I8 HydrophobicContact CD1-CD1 4.48Å; F6-I8 HydrophobicContact CD1-CG1 3.99Å; F6-I8 HydrophobicContact CE1-CD1 4.28Å; F6-I8 HydrophobicContact CE1-CG1 3.66Å; I8-I16 HydrophobicContact CD1-CG2 3.9Å; I8-I16 HydrophobicContact CG1-CG2 4.45Å; I8-I16 HydrophobicContact CG2-CD1 3.46Å; I8-I16 VanDerWaalsContact CG2-CD1 3.46Å; I8-V18 HydrophobicContact CD1-CG2 4.17Å; I8-I26 PolarHBondContact N-O 3.03Å; I8-I27 HydrophobicContact CB-CG1 4.35Å; I8-I27 HydrophobicContact CB-CG2 4.43Å; I8-I27 HydrophobicContact CD1-CG1 4.29Å; I8-I27 HydrophobicContact CG2-CG2 4.48Å; I8-I27 CarbonylContact O-C 3.54Å; I8-I27 VanDerWaalsContact O-CA 3.25Å; I8-I27 WeakPolarHBondContact O-CA 3.27Å; I8-D28 PolarHBondContact O-N 3.22Å; I8-I35 HydrophobicContact CD1-CG2 3.79Å; I8-L37 HydrophobicContact CD1-CD2 4.17Å |
| 9 | E | 98.2 | Very high | 93.4 | Very high | 101 Ų | 101 | 76.4 Ų | 76.4 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.8 | -174.2 | -73.9 | 175.7 | -175.9 | 0 | 0 | 110.8 | T7 C11 D28 | T7-E9 HydrophobicContact CG2-CB 4.49Å; T7-E9 HydrophobicContact CG2-CG 3.45Å; T7-E9 VanDerWaalsContact CG2-CG 3.45Å; T7-E9 WeakPolarHBondContact CG2-OE1 3.23Å; E9-C11 VanDerWaalsContact C-N 3.27Å; E9-C11 PolarHBondContact O-N 3.34Å; E9-C11 PolarHBondContact O-SG 2.71Å; E9-C11 VanDerWaalsContact O-SG 3.37Å; E9-D28 WeakPolarHBondContact CA-O 3.22Å; E9-D28 HydrophobicContact CG-CB 4.13Å |
| 10 | N | 98.2 | Very high | 93.3 | Very high | 123 Ų | 123 | 74.8 Ų | 74.8 | 66% | 0.658 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 54.1 | 38.7 | 170.5 | -62.3 | -61.4 | 0 | 0 | 0 | 114.3 | D28 D29 | N10-D28 PolarHBondContact N-O 3.26Å; N10-D28 VanDerWaalsContact N-O 3.15Å; N10-D29 WeakPolarHBondContact CA-O 3.25Å; N10-D29 WeakPolarHBondContact OD1-CB 3.1Å |
| 11 | C | 98.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 74.9 Ų | 74.9 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | trans | -96.4 | 135.7 | 178 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | E9 C14 I16 C30 Q31 C33 | E9-C11 VanDerWaalsContact C-N 3.27Å; E9-C11 PolarHBondContact O-N 3.34Å; E9-C11 PolarHBondContact O-SG 2.71Å; E9-C11 VanDerWaalsContact O-SG 3.37Å; C11-C14 HydrophobicContact CB-CB 4.31Å; C11-I16 HydrophobicContact CB-CD1 3.96Å; C11-C30 CarbonylContact O-C 3.58Å; C11-C30 VanDerWaalsContact O-CA 3.25Å; C11-C30 WeakPolarHBondContact O-CA 3.44Å; C11-Q31 PolarHBondContact O-N 3.1Å; C11-C33 PolarHBondContact O-SG 2.88Å; C11-C33 VanDerWaalsContact O-SG 3.39Å | ||
| 12 | Q | 98.4 | Very high | 94.6 | Very high | 134 Ų | 134 | 70.7 Ų | 70.7 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | B | Isolated β-bridge | trans | -129.9 | 134.7 | 176.2 | -172.9 | 173.8 | -0.3 | 0 | 0 | 111 | C14 Q31 | Q12-C14 PolarHBondContact O-N 3.09Å; Q12-C14 PolarHBondContact O-SG 3.06Å; Q12-Q31 VanDerWaalsContact CA-O 3.28Å; Q12-Q31 WeakPolarHBondContact CA-O 3.32Å; Q12-Q31 HydrophobicContact CG-CB 4.41Å |
| 13 | S | 98.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 69 Ų | 69 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 54.4 | 38.6 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | Q31 D32 | S13-Q31 PolarHBondContact N-O 3.19Å; S13-D32 WeakPolarHBondContact CA-O 3.49Å; S13-D32 WeakPolarHBondContact CB-OD2 3.24Å; S13-D32 PolarHBondContact N-O 3.15Å; S13-D32 PolarHBondContact OG-OD2 3.37Å |
| 14 | C | 98.2 | Very high | 96 | Very high | 49 Ų | 49 | 69.1 Ų | 69.1 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | trans | -109.5 | 151 | -173.4 | -73.8 | 0 | 0 | 0 | 0 | 112.6 | C11 Q12 I16 C33 Q34 | C11-C14 HydrophobicContact CB-CB 4.31Å; Q12-C14 PolarHBondContact O-N 3.09Å; Q12-C14 PolarHBondContact O-SG 3.06Å; C14-I16 HydrophobicContact CB-CD1 4.2Å; C14-I16 HydrophobicContact CB-CG1 4Å; C14-C33 CarbonylContact O-C 3.49Å; C14-C33 VanDerWaalsContact O-CA 3.31Å; C14-C33 WeakPolarHBondContact O-CA 3.27Å; C14-Q34 PolarHBondContact O-N 2.82Å | ||
| 15 | K | 98.1 | Very high | 96.3 | Very high | 144 Ų | 144 | 62.5 Ų | 62.5 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115.4 | 165.8 | -59.4 | -174.4 | 179.9 | 175.6 | 0 | 108.6 | F17 Q34 | K15-F17 HydrophobicContact CB-CE2 3.85Å; K15-Q34 CarbonylContact C-O 3.5Å; K15-Q34 WeakPolarHBondContact CA-O 3.09Å; K15-Q34 HydrophobicContact CG-CB 4.23Å |
| 16 | I | 97.6 | Very high | 96.5 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.3 | -170.4 | -53.9 | 176.3 | 0 | 0 | 0 | 108.4 | I8 C11 C14 V18 Q34 I35 V36 | I8-I16 HydrophobicContact CD1-CG2 3.9Å; I8-I16 HydrophobicContact CG1-CG2 4.45Å; I8-I16 HydrophobicContact CG2-CD1 3.46Å; I8-I16 VanDerWaalsContact CG2-CD1 3.46Å; C11-I16 HydrophobicContact CB-CD1 3.96Å; C14-I16 HydrophobicContact CB-CD1 4.2Å; C14-I16 HydrophobicContact CB-CG1 4Å; I16-V18 HydrophobicContact CG2-CG2 4.09Å; I16-Q34 PolarHBondContact N-O 2.5Å; I16-I35 HydrophobicContact CB-CG1 4.41Å; I16-I35 HydrophobicContact CD1-CG1 4.48Å; I16-I35 WeakPolarHBondContact O-CA 3.44Å; I16-V36 PolarHBondContact O-N 3.27Å |
| 17 | F | 95.2 | Very high | 96.6 | Very high | 127 Ų | 127 | 56.1 Ų | 56.1 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 109.6 | -179.2 | -62.1 | -92.8 | 0 | 0 | 0 | 108.7 | K15 L19 V36 | K15-F17 HydrophobicContact CB-CE2 3.85Å; F17-L19 HydrophobicContact CB-CD1 4.46Å; F17-L19 HydrophobicContact CB-CG 4.18Å; F17-V36 HydrophobicContact CD1-CB 3.77Å; F17-V36 HydrophobicContact CD1-CG1 4.41Å; F17-V36 HydrophobicContact CD1-CG2 3.86Å; F17-V36 HydrophobicContact CE1-CB 4.18Å; F17-V36 HydrophobicContact CE1-CG2 3.72Å |
| 18 | V | 94.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 77.9 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | M1 F6 I8 I16 D20 T22 V36 L37 G38 | M1-V18 HydrophobicContact CE-CG1 3.9Å; M1-V18 HydrophobicContact SD-CG1 3.45Å; M1-V18 WeakPolarHBondContact SD-CG1 3.22Å; F6-V18 HydrophobicContact CD1-CG1 4.12Å; F6-V18 HydrophobicContact CD1-CG2 3.88Å; F6-V18 HydrophobicContact CE1-CG1 4.47Å; F6-V18 HydrophobicContact CE1-CG2 3.62Å; I8-V18 HydrophobicContact CD1-CG2 4.17Å; I16-V18 HydrophobicContact CG2-CG2 4.09Å; V18-D20 VanDerWaalsContact C-N 3.32Å; V18-D20 PolarHBondContact O-N 3.34Å; V18-T22 HydrophobicContact CG1-CG2 4.19Å; V18-V36 PolarHBondContact N-O 2.85Å; V18-L37 HydrophobicContact CB-CD2 3.94Å; V18-L37 HydrophobicContact CG2-CD2 4.02Å; V18-L37 CarbonylContact O-C 3.6Å; V18-G38 PolarHBondContact O-N 3.08Å |
| 19 | L | 91.5 | Very high | 96.6 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | trans | -95.5 | 54.3 | -172.2 | -52.3 | -179.7 | 0 | 0 | 0 | 111.7 | F17 V36 Y96 | F17-L19 HydrophobicContact CB-CD1 4.46Å; F17-L19 HydrophobicContact CB-CG 4.18Å; L19-V36 HydrophobicContact CD2-CG1 3.8Å; L19-Y96 HydrophobicContact CB-CD2 4.43Å; L19-Y96 HydrophobicContact CB-CE2 4.14Å; L19-Y96 HydrophobicContact CD2-CD1 4.1Å; L19-Y96 HydrophobicContact CD2-CE1 3.94Å | ||
| 20 | D | 91.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 52 Ų | 52 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -147.1 | 162.3 | 174.6 | -172.9 | 10.6 | 0 | 0 | 0 | 108.5 | M1 A2 V18 | M1-D20 VanDerWaalsContact CA-OD2 3.25Å; M1-D20 WeakPolarHBondContact CA-OD2 3.16Å; M1-D20 HydrophobicContact CB-CB 4.24Å; M1-D20 VanDerWaalsContact CB-OD2 3.3Å; M1-D20 WeakPolarHBondContact CB-OD2 3.41Å; M1-D20 PolarHBondContact N-OD2 3.08Å; A2-D20 PolarHBondContact N-OD2 3.03Å; A2-D20 VanDerWaalsContact N-OD2 3.15Å; V18-D20 VanDerWaalsContact C-N 3.32Å; V18-D20 PolarHBondContact O-N 3.34Å |
| 21 | R | 91.3 | Very high | 96.6 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | trans | -64.5 | 132.8 | 174.5 | 41.9 | 174.4 | -93.5 | 122.6 | -0.5 | 112.1 | A2 G3 P39 S105 C106 | A2-R21 PolarHBondContact O-NH2 3.28Å; G3-R21 WeakPolarHBondContact CA-O 3.36Å; G3-R21 PolarHBondContact N-O 3.46Å; R21-P39 WeakPolarHBondContact CA-O 3.13Å; R21-S105 PolarHBondContact NH1-OG 3.2Å; R21-S105 VanDerWaalsContact NH1-OG 3.12Å; R21-C106 VanDerWaalsContact CB-SG 3.53Å | ||
| 22 | T | 95.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -128.5 | 153.3 | 177 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | M1 Q4 F6 V18 I25 P39 C40 S41 | M1-T22 HydrophobicContact CB-CG2 4.49Å; M1-T22 HydrophobicContact SD-CG2 4.03Å; Q4-T22 WeakPolarHBondContact O-CA 3.21Å; F6-T22 HydrophobicContact CB-CG2 4.15Å; V18-T22 HydrophobicContact CG1-CG2 4.19Å; T22-I25 HydrophobicContact CG2-CD1 4.07Å; T22-I25 HydrophobicContact CG2-CG1 4.14Å; T22-I25 VanDerWaalsContact OG1-CD1 3.31Å; T22-I25 WeakPolarHBondContact OG1-CD1 3.14Å; T22-I25 WeakPolarHBondContact OG1-CG1 3.31Å; T22-P39 PolarHBondContact N-O 2.99Å; T22-C40 CarbonylContact O-C 3.55Å; T22-C40 WeakPolarHBondContact O-CA 3.16Å; T22-C40 WeakPolarHBondContact OG1-CB 3.41Å; T22-S41 PolarHBondContact O-N 3.23Å; T22-S41 PolarHBondContact O-OG 3.41Å |
| 23 | A | 94.8 | Very high | 96.7 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -80.1 | -42.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G3 Q4 C40 G42 | G3-A23 WeakPolarHBondContact O-CB 3.28Å; G3-A23 PolarHBondContact O-N 3.31Å; Q4-A23 PolarHBondContact O-N 2.99Å; A23-C40 PolarHBondContact O-SG 3.11Å; A23-G42 WeakPolarHBondContact O-CA 3.28Å; A23-G42 PolarHBondContact O-N 2.66Å |
| 24 | S | 96.6 | Very high | 96.7 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 153.4 | 177.2 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | Q5 F6 S43 | Q5-S24 CarbonylContact C-O 3.56Å; Q5-S24 WeakPolarHBondContact CA-O 3.42Å; Q5-S24 WeakPolarHBondContact CB-OG 3.5Å; Q5-S24 VanDerWaalsContact CG-OG 3.28Å; Q5-S24 WeakPolarHBondContact CG-OG 3.11Å; F6-S24 PolarHBondContact N-O 3.03Å; S24-S43 VanDerWaalsContact CA-O 3.27Å; S24-S43 WeakPolarHBondContact CA-O 3.35Å |
| 25 | I | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.4 | 174.2 | -53.2 | 177.1 | 0 | 0 | 0 | 109 | F6 T22 I27 L37 C40 S43 V44 F45 | F6-I25 HydrophobicContact CB-CG1 4.49Å; F6-I25 VanDerWaalsContact O-CA 3.27Å; F6-I25 WeakPolarHBondContact O-CA 3.4Å; T22-I25 HydrophobicContact CG2-CD1 4.07Å; T22-I25 HydrophobicContact CG2-CG1 4.14Å; T22-I25 VanDerWaalsContact OG1-CD1 3.31Å; T22-I25 WeakPolarHBondContact OG1-CD1 3.14Å; T22-I25 WeakPolarHBondContact OG1-CG1 3.31Å; I25-I27 HydrophobicContact CG2-CD1 4.5Å; I25-I27 HydrophobicContact CG2-CG1 4.01Å; I25-L37 HydrophobicContact CB-CD1 4.5Å; I25-L37 HydrophobicContact CD1-CB 4.02Å; I25-L37 HydrophobicContact CD1-CD1 3.75Å; I25-L37 HydrophobicContact CD1-CD2 3.88Å; I25-L37 HydrophobicContact CD1-CG 4.08Å; I25-L37 HydrophobicContact CG2-CD1 4.25Å; I25-L37 HydrophobicContact CG2-CD2 4.46Å; I25-C40 HydrophobicContact CD1-CB 4.5Å; I25-S43 PolarHBondContact N-O 3.34Å; I25-V44 HydrophobicContact CB-CG1 4.36Å; I25-V44 HydrophobicContact CB-CG2 4.05Å; I25-V44 HydrophobicContact CD1-CG2 4.33Å; I25-V44 HydrophobicContact CG1-CG2 4.35Å; I25-V44 CarbonylContact O-C 3.59Å; I25-V44 WeakPolarHBondContact O-CA 3.36Å; I25-F45 PolarHBondContact O-N 2.98Å |
| 26 | I | 98.7 | Very high | 96.5 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.5 | 171.5 | -58.1 | -179 | 0 | 0 | 0 | 108 | Q5 F6 T7 I8 D28 F45 | Q5-I26 VanDerWaalsContact NE2-CD1 3.32Å; F6-I26 PolarHBondContact O-N 3.37Å; T7-I26 CarbonylContact C-O 3.56Å; T7-I26 WeakPolarHBondContact CA-O 3.28Å; I8-I26 PolarHBondContact N-O 3.03Å; I26-D28 WeakPolarHBondContact CG2-OD2 3.16Å; I26-F45 WeakPolarHBondContact CA-O 3.25Å |
| 27 | I | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 107.6 | 177.7 | -53.5 | 173.3 | 0 | 0 | 0 | 107.6 | I8 I25 C30 I35 L37 V44 F45 I46 R47 L54 | I8-I27 HydrophobicContact CB-CG1 4.35Å; I8-I27 HydrophobicContact CB-CG2 4.43Å; I8-I27 HydrophobicContact CD1-CG1 4.29Å; I8-I27 HydrophobicContact CG2-CG2 4.48Å; I8-I27 CarbonylContact O-C 3.54Å; I8-I27 VanDerWaalsContact O-CA 3.25Å; I8-I27 WeakPolarHBondContact O-CA 3.27Å; I25-I27 HydrophobicContact CG2-CD1 4.5Å; I25-I27 HydrophobicContact CG2-CG1 4.01Å; I27-C30 HydrophobicContact CG2-CB 4.17Å; I27-I35 HydrophobicContact CD1-CD1 4.09Å; I27-I35 HydrophobicContact CD1-CG2 4.2Å; I27-I35 HydrophobicContact CG2-CD1 3.72Å; I27-L37 HydrophobicContact CD1-CD1 4.13Å; I27-V44 HydrophobicContact CD1-CG1 4.39Å; I27-F45 PolarHBondContact N-O 2.91Å; I27-I46 HydrophobicContact CB-CB 4.09Å; I27-I46 HydrophobicContact CB-CD1 4.42Å; I27-I46 HydrophobicContact CB-CG1 3.98Å; I27-I46 HydrophobicContact CG2-CD1 4.04Å; I27-I46 HydrophobicContact CG2-CG1 3.99Å; I27-I46 CarbonylContact O-C 3.58Å; I27-I46 VanDerWaalsContact O-CA 3.25Å; I27-I46 WeakPolarHBondContact O-CA 3.35Å; I27-R47 PolarHBondContact O-N 2.8Å; I27-L54 HydrophobicContact CD1-CD2 3.56Å |
| 28 | D | 98.6 | Very high | 96.1 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.5 | 179.6 | -56.9 | -36.6 | 0 | 0 | 0 | 112.2 | I8 E9 N10 I26 C30 R47 | I8-D28 PolarHBondContact O-N 3.22Å; E9-D28 WeakPolarHBondContact CA-O 3.22Å; E9-D28 HydrophobicContact CG-CB 4.13Å; N10-D28 PolarHBondContact N-O 3.26Å; N10-D28 VanDerWaalsContact N-O 3.15Å; I26-D28 WeakPolarHBondContact CG2-OD2 3.16Å; D28-C30 PolarHBondContact O-N 3.39Å; D28-C30 VanDerWaalsContact O-N 3.1Å; D28-C30 PolarHBondContact O-SG 3Å; D28-R47 WeakPolarHBondContact CA-O 3.46Å; D28-R47 VanDerWaalsContact OD1-CB 3.27Å; D28-R47 WeakPolarHBondContact OD1-CB 3.43Å; D28-R47 IonicContact OD1-CZ 3.47Å; D28-R47 IonicContact OD1-NE 2.73Å; D28-R47 PolarHBondContact OD1-NE 3.46Å; D28-R47 IonicContact OD1-NH2 3.39Å; D28-R47 PolarHBondContact OD1-NH2 2.97Å; D28-R47 IonicContact OD2-CZ 3.48Å; D28-R47 IonicContact OD2-NE 3.55Å; D28-R47 IonicContact OD2-NH2 2.64Å; D28-R47 PolarHBondContact OD2-NH2 2.94Å |
| 29 | D | 98.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 30.6 Ų | 30.6 | 36% | 0.358 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 53.4 | 38.1 | 168.6 | -55.9 | -55.7 | 0 | 0 | 0 | 113.4 | N10 R47 N48 | N10-D29 WeakPolarHBondContact CA-O 3.25Å; N10-D29 WeakPolarHBondContact OD1-CB 3.1Å; D29-R47 PolarHBondContact N-O 2.84Å; D29-N48 WeakPolarHBondContact OD1-CB 3.21Å; D29-N48 PolarHBondContact OD1-ND2 2.95Å |
| 30 | C | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -100.3 | 136.3 | -180 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | C11 I27 D28 S49 L50 C52 | C11-C30 CarbonylContact O-C 3.58Å; C11-C30 VanDerWaalsContact O-CA 3.25Å; C11-C30 WeakPolarHBondContact O-CA 3.44Å; I27-C30 HydrophobicContact CG2-CB 4.17Å; D28-C30 PolarHBondContact O-N 3.39Å; D28-C30 VanDerWaalsContact O-N 3.1Å; D28-C30 PolarHBondContact O-SG 3Å; C30-S49 PolarHBondContact N-OG 3.02Å; C30-S49 VanDerWaalsContact N-OG 3.17Å; C30-S49 CarbonylContact O-C 3.52Å; C30-S49 WeakPolarHBondContact O-CA 3.46Å; C30-S49 VanDerWaalsContact O-CB 3.22Å; C30-S49 WeakPolarHBondContact O-CB 3.27Å; C30-L50 PolarHBondContact O-N 3.19Å; C30-C52 PolarHBondContact O-SG 2.9Å | ||
| 31 | Q | 98.7 | Very high | 95.9 | Very high | 90 Ų | 90 | 27.3 Ų | 27.3 | 42% | 0.421 | 15% | 0.146 | S | C | . | . | B | Isolated β-bridge | trans | -132 | 136.3 | -178.5 | -57.7 | -175.3 | 35.6 | 0 | 0 | 111.7 | C11 Q12 S13 C33 L50 | C11-Q31 PolarHBondContact O-N 3.1Å; Q12-Q31 VanDerWaalsContact CA-O 3.28Å; Q12-Q31 WeakPolarHBondContact CA-O 3.32Å; Q12-Q31 HydrophobicContact CG-CB 4.41Å; S13-Q31 PolarHBondContact N-O 3.19Å; Q31-C33 VanDerWaalsContact C-N 3.31Å; Q31-C33 PolarHBondContact O-N 3.36Å; Q31-C33 PolarHBondContact O-SG 3.41Å; Q31-L50 VanDerWaalsContact CA-O 3.27Å; Q31-L50 WeakPolarHBondContact CA-O 3.32Å; Q31-L50 HydrophobicContact CG-CB 4.3Å |
| 32 | D | 98.5 | Very high | 95.9 | Very high | 88 Ų | 88 | 24.6 Ų | 24.6 | 47% | 0.471 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 54.3 | 45.9 | 179.1 | -179.4 | 39.8 | 0 | 0 | 0 | 112.2 | S13 L50 D51 | S13-D32 WeakPolarHBondContact CA-O 3.49Å; S13-D32 WeakPolarHBondContact CB-OD2 3.24Å; S13-D32 PolarHBondContact N-O 3.15Å; S13-D32 PolarHBondContact OG-OD2 3.37Å; D32-L50 PolarHBondContact N-O 3.22Å; D32-D51 WeakPolarHBondContact CA-O 3.03Å; D32-D51 PolarHBondContact N-O 3.02Å |
| 33 | C | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | trans | -114.3 | 144.3 | -174.4 | -72.2 | 0 | 0 | 0 | 0 | 112.9 | C11 C14 Q31 I35 C52 R53 | C11-C33 PolarHBondContact O-SG 2.88Å; C11-C33 VanDerWaalsContact O-SG 3.39Å; C14-C33 CarbonylContact O-C 3.49Å; C14-C33 VanDerWaalsContact O-CA 3.31Å; C14-C33 WeakPolarHBondContact O-CA 3.27Å; Q31-C33 VanDerWaalsContact C-N 3.31Å; Q31-C33 PolarHBondContact O-N 3.36Å; Q31-C33 PolarHBondContact O-SG 3.41Å; C33-I35 HydrophobicContact CB-CD1 4.24Å; C33-I35 HydrophobicContact CB-CG1 4.1Å; C33-C52 CarbonylContact O-C 3.59Å; C33-C52 VanDerWaalsContact O-CA 3.23Å; C33-C52 WeakPolarHBondContact O-CA 3.39Å; C33-R53 PolarHBondContact O-N 2.84Å | ||
| 34 | Q | 98.3 | Very high | 96 | Very high | 70 Ų | 70 | 24.6 Ų | 24.6 | 33% | 0.327 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.2 | 168.9 | -61.5 | -177.9 | 2.6 | 0 | 0 | 108.7 | C14 K15 I16 R53 W55 | C14-Q34 PolarHBondContact O-N 2.82Å; K15-Q34 CarbonylContact C-O 3.5Å; K15-Q34 WeakPolarHBondContact CA-O 3.09Å; K15-Q34 HydrophobicContact CG-CB 4.23Å; I16-Q34 PolarHBondContact N-O 2.5Å; Q34-R53 CarbonylContact C-O 3.58Å; Q34-R53 WeakPolarHBondContact CA-O 3.27Å; Q34-R53 HydrophobicContact CG-CB 4.46Å; Q34-W55 HydrophobicContact CB-CZ3 4.25Å |
| 35 | I | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.3 | -170.9 | -54.1 | 177.4 | 0 | 0 | 0 | 109.4 | I8 I16 I27 C33 L37 R53 L54 W55 | I8-I35 HydrophobicContact CD1-CG2 3.79Å; I16-I35 HydrophobicContact CB-CG1 4.41Å; I16-I35 HydrophobicContact CD1-CG1 4.48Å; I16-I35 WeakPolarHBondContact O-CA 3.44Å; I27-I35 HydrophobicContact CD1-CD1 4.09Å; I27-I35 HydrophobicContact CD1-CG2 4.2Å; I27-I35 HydrophobicContact CG2-CD1 3.72Å; C33-I35 HydrophobicContact CB-CD1 4.24Å; C33-I35 HydrophobicContact CB-CG1 4.1Å; I35-L37 HydrophobicContact CG2-CD2 3.45Å; I35-L37 VanDerWaalsContact CG2-CD2 3.45Å; I35-L37 HydrophobicContact CG2-CG 3.94Å; I35-R53 PolarHBondContact N-O 3.17Å; I35-L54 HydrophobicContact CB-CD2 4.37Å; I35-L54 HydrophobicContact CB-CG 4.47Å; I35-L54 HydrophobicContact CD1-CD2 4.47Å; I35-L54 CarbonylContact O-C 3.59Å; I35-L54 VanDerWaalsContact O-CA 3.32Å; I35-L54 WeakPolarHBondContact O-CA 3.46Å; I35-W55 PolarHBondContact O-N 2.78Å |
| 36 | V | 95.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.7 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | I16 F17 V18 L19 W55 | I16-V36 PolarHBondContact O-N 3.27Å; F17-V36 HydrophobicContact CD1-CB 3.77Å; F17-V36 HydrophobicContact CD1-CG1 4.41Å; F17-V36 HydrophobicContact CD1-CG2 3.86Å; F17-V36 HydrophobicContact CE1-CB 4.18Å; F17-V36 HydrophobicContact CE1-CG2 3.72Å; V18-V36 PolarHBondContact N-O 2.85Å; L19-V36 HydrophobicContact CD2-CG1 3.8Å; V36-W55 HydrophobicContact CG1-CB 4.31Å; V36-W55 HydrophobicContact CG2-CB 4.46Å; V36-W55 HydrophobicContact CG2-CD2 4.12Å; V36-W55 HydrophobicContact CG2-CE3 3.59Å; V36-W55 HydrophobicContact CG2-CZ3 4.1Å |
| 37 | L | 93.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.9 | -178.4 | -51.6 | 178.5 | 0 | 0 | 0 | 110 | I8 V18 I25 I27 I35 V44 W55 V56 | I8-L37 HydrophobicContact CD1-CD2 4.17Å; V18-L37 HydrophobicContact CB-CD2 3.94Å; V18-L37 HydrophobicContact CG2-CD2 4.02Å; V18-L37 CarbonylContact O-C 3.6Å; I25-L37 HydrophobicContact CB-CD1 4.5Å; I25-L37 HydrophobicContact CD1-CB 4.02Å; I25-L37 HydrophobicContact CD1-CD1 3.75Å; I25-L37 HydrophobicContact CD1-CD2 3.88Å; I25-L37 HydrophobicContact CD1-CG 4.08Å; I25-L37 HydrophobicContact CG2-CD1 4.25Å; I25-L37 HydrophobicContact CG2-CD2 4.46Å; I27-L37 HydrophobicContact CD1-CD1 4.13Å; I35-L37 HydrophobicContact CG2-CD2 3.45Å; I35-L37 VanDerWaalsContact CG2-CD2 3.45Å; I35-L37 HydrophobicContact CG2-CG 3.94Å; L37-V44 HydrophobicContact CD1-CG1 3.77Å; L37-V44 HydrophobicContact CD1-CG2 4.21Å; L37-W55 PolarHBondContact N-O 3.21Å; L37-V56 HydrophobicContact CD1-CG1 4.34Å; L37-V56 HydrophobicContact CD1-CG2 4.04Å |
| 38 | G | 88.9 | Confident | 96.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -176.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V18 C40 Y96 | V18-G38 PolarHBondContact O-N 3.08Å; G38-C40 PolarHBondContact O-N 2.83Å; G38-Y96 WeakPolarHBondContact CA-OH 3.3Å |
| 39 | P | 89.7 | Confident | 96.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 122.2 | -174.5 | 25.4 | -32.2 | 0 | 0 | 0 | 112.1 | R21 T22 L57 Y96 E102 W103 C106 | R21-P39 WeakPolarHBondContact CA-O 3.13Å; T22-P39 PolarHBondContact N-O 2.99Å; P39-L57 HydrophobicContact CB-CD2 3.81Å; P39-L57 HydrophobicContact CB-CG 4.23Å; P39-Y96 WeakPolarHBondContact CD-OH 3.45Å; P39-E102 WeakPolarHBondContact CD-OE2 3.48Å; P39-E102 HydrophobicContact CG-CB 3.38Å; P39-W103 HydrophobicContact CB-CB 4.23Å; P39-W103 HydrophobicContact CB-CE3 3.63Å; P39-W103 HydrophobicContact CB-CZ3 4.41Å; P39-C106 HydrophobicContact CB-CB 4.3Å; P39-C106 PolarHBondContact O-SG 2.77Å |
| 40 | C | 92.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 118.5 | 173.7 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | T22 A23 I25 G38 G42 V44 L57 C58 Q59 | T22-C40 CarbonylContact O-C 3.55Å; T22-C40 WeakPolarHBondContact O-CA 3.16Å; T22-C40 WeakPolarHBondContact OG1-CB 3.41Å; A23-C40 PolarHBondContact O-SG 3.11Å; I25-C40 HydrophobicContact CD1-CB 4.5Å; G38-C40 PolarHBondContact O-N 2.83Å; C40-G42 PolarHBondContact O-N 3.28Å; C40-G42 VanDerWaalsContact SG-C 3.58Å; C40-V44 HydrophobicContact CB-CG2 3.78Å; C40-L57 PolarHBondContact N-O 3.27Å; C40-C58 HydrophobicContact CB-CB 3.84Å; C40-C58 WeakPolarHBondContact O-CA 3.36Å; C40-Q59 PolarHBondContact O-N 2.9Å |
| 41 | S | 91.4 | Very high | 96 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 34% | 0.343 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -73.8 | -4.9 | 179.7 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | T22 Q59 | T22-S41 PolarHBondContact O-N 3.23Å; T22-S41 PolarHBondContact O-OG 3.41Å; S41-Q59 VanDerWaalsContact C-CG 3.49Å; S41-Q59 WeakPolarHBondContact O-CG 3.48Å |
| 42 | G | 92.1 | Very high | 96 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -133.5 | -133 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A23 C40 Q59 Q60 | A23-G42 WeakPolarHBondContact O-CA 3.28Å; A23-G42 PolarHBondContact O-N 2.66Å; C40-G42 PolarHBondContact O-N 3.28Å; C40-G42 VanDerWaalsContact SG-C 3.58Å; G42-Q59 WeakPolarHBondContact O-CB 3.43Å; G42-Q59 PolarHBondContact O-N 2.64Å; G42-Q60 PolarHBondContact O-N 2.73Å |
| 43 | S | 94.8 | Very high | 95.9 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 25% | 0.245 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.3 | -173.9 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | S24 I25 Q60 | S24-S43 VanDerWaalsContact CA-O 3.27Å; S24-S43 WeakPolarHBondContact CA-O 3.35Å; I25-S43 PolarHBondContact N-O 3.34Å; S43-Q60 CarbonylContact C-O 3.55Å; S43-Q60 WeakPolarHBondContact CA-O 3.35Å |
| 44 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.3 | 160 | 176.9 | 0 | 0 | 0 | 0 | 108 | I25 I27 L37 C40 V56 C58 Q60 F61 R62 | I25-V44 HydrophobicContact CB-CG1 4.36Å; I25-V44 HydrophobicContact CB-CG2 4.05Å; I25-V44 HydrophobicContact CD1-CG2 4.33Å; I25-V44 HydrophobicContact CG1-CG2 4.35Å; I25-V44 CarbonylContact O-C 3.59Å; I25-V44 WeakPolarHBondContact O-CA 3.36Å; I27-V44 HydrophobicContact CD1-CG1 4.39Å; L37-V44 HydrophobicContact CD1-CG1 3.77Å; L37-V44 HydrophobicContact CD1-CG2 4.21Å; C40-V44 HydrophobicContact CB-CG2 3.78Å; V44-V56 HydrophobicContact CB-CG1 3.89Å; V44-V56 HydrophobicContact CG1-CG1 3.99Å; V44-V56 HydrophobicContact CG2-CG1 3.78Å; V44-C58 HydrophobicContact CB-CB 4.28Å; V44-C58 HydrophobicContact CG2-CB 3.64Å; V44-Q60 PolarHBondContact N-O 3.47Å; V44-F61 HydrophobicContact CB-CD2 4.03Å; V44-F61 HydrophobicContact CB-CE2 4.45Å; V44-F61 HydrophobicContact CG1-CD2 4.07Å; V44-F61 HydrophobicContact CG1-CE2 3.99Å; V44-F61 WeakPolarHBondContact O-CA 3.32Å; V44-R62 PolarHBondContact O-N 2.94Å |
| 45 | F | 98.4 | Very high | 95.6 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 18% | 0.175 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 115 | -178.6 | -170.1 | -172.2 | 0 | 0 | 0 | 110 | I25 I26 I27 R47 R62 R64 | I25-F45 PolarHBondContact O-N 2.98Å; I26-F45 WeakPolarHBondContact CA-O 3.25Å; I27-F45 PolarHBondContact N-O 2.91Å; F45-R47 HydrophobicContact CD1-CG 4.34Å; F45-R47 HydrophobicContact CD2-CG 3.77Å; F45-R47 HydrophobicContact CE1-CG 4.09Å; F45-R47 HydrophobicContact CE2-CG 3.49Å; F45-R47 VanDerWaalsContact CE2-CG 3.49Å; F45-R47 HydrophobicContact CG-CG 4.23Å; F45-R47 HydrophobicContact CZ-CG 3.68Å; F45-R62 WeakPolarHBondContact CA-O 3.39Å; F45-R62 HydrophobicContact CB-CB 4.34Å; F45-R62 HydrophobicContact CD2-CB 3.47Å; F45-R62 VanDerWaalsContact CD2-CB 3.47Å; F45-R62 WeakPolarHBondContact CD2-O 3.23Å; F45-R62 HydrophobicContact CE2-CB 3.85Å; F45-R62 HydrophobicContact CG-CB 3.99Å; F45-R64 HydrophobicContact CE2-CB 3.71Å; F45-R64 HydrophobicContact CZ-CB 3.98Å |
| 46 | I | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.2 | 172.7 | -175.8 | 167.3 | 0 | 0 | 0 | 111.1 | I27 L54 F61 R62 I63 R64 L69 | I27-I46 HydrophobicContact CB-CB 4.09Å; I27-I46 HydrophobicContact CB-CD1 4.42Å; I27-I46 HydrophobicContact CB-CG1 3.98Å; I27-I46 HydrophobicContact CG2-CD1 4.04Å; I27-I46 HydrophobicContact CG2-CG1 3.99Å; I27-I46 CarbonylContact O-C 3.58Å; I27-I46 VanDerWaalsContact O-CA 3.25Å; I27-I46 WeakPolarHBondContact O-CA 3.35Å; I46-L54 HydrophobicContact CD1-CD1 3.95Å; I46-L54 HydrophobicContact CD1-CD2 3.93Å; I46-F61 HydrophobicContact CG2-CZ 4.18Å; I46-R62 PolarHBondContact N-O 2.83Å; I46-I63 HydrophobicContact CG2-CB 4.15Å; I46-I63 HydrophobicContact CG2-CG1 3.75Å; I46-I63 HydrophobicContact CG2-CG2 4.13Å; I46-I63 WeakPolarHBondContact O-CA 3.42Å; I46-R64 PolarHBondContact O-N 2.83Å; I46-L69 HydrophobicContact CD1-CD1 4.03Å; I46-L69 HydrophobicContact CD1-CD2 4.23Å; I46-L69 HydrophobicContact CG2-CD1 4.01Å |
| 47 | R | 98.3 | Very high | 95 | Very high | 60 Ų | 60 | 28.7 Ų | 28.7 | 23% | 0.226 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 154.4 | 178.1 | -47.8 | 179 | -75.5 | -170.9 | 2.8 | 112.6 | I27 D28 D29 F45 S49 R64 | I27-R47 PolarHBondContact O-N 2.8Å; D28-R47 WeakPolarHBondContact CA-O 3.46Å; D28-R47 VanDerWaalsContact OD1-CB 3.27Å; D28-R47 WeakPolarHBondContact OD1-CB 3.43Å; D28-R47 IonicContact OD1-CZ 3.47Å; D28-R47 IonicContact OD1-NE 2.73Å; D28-R47 PolarHBondContact OD1-NE 3.46Å; D28-R47 IonicContact OD1-NH2 3.39Å; D28-R47 PolarHBondContact OD1-NH2 2.97Å; D28-R47 IonicContact OD2-CZ 3.48Å; D28-R47 IonicContact OD2-NE 3.55Å; D28-R47 IonicContact OD2-NH2 2.64Å; D28-R47 PolarHBondContact OD2-NH2 2.94Å; D29-R47 PolarHBondContact N-O 2.84Å; F45-R47 HydrophobicContact CD1-CG 4.34Å; F45-R47 HydrophobicContact CD2-CG 3.77Å; F45-R47 HydrophobicContact CE1-CG 4.09Å; F45-R47 HydrophobicContact CE2-CG 3.49Å; F45-R47 VanDerWaalsContact CE2-CG 3.49Å; F45-R47 HydrophobicContact CG-CG 4.23Å; F45-R47 HydrophobicContact CZ-CG 3.68Å; R47-S49 PolarHBondContact O-N 3.11Å; R47-S49 PolarHBondContact O-OG 2.73Å; R47-R64 WeakPolarHBondContact CA-O 3.37Å; R47-R64 VanDerWaalsContact CD-NH2 3.32Å; R47-R64 HydrophobicContact CG-CB 4.31Å |
| 48 | N | 98 | Very high | 94.8 | Very high | 77 Ų | 77 | 28.7 Ų | 28.7 | 41% | 0.412 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 49.6 | 31.6 | 171 | -57.2 | -25 | 0 | 0 | 0 | 114.5 | D29 R64 D65 | D29-N48 WeakPolarHBondContact OD1-CB 3.21Å; D29-N48 PolarHBondContact OD1-ND2 2.95Å; N48-R64 PolarHBondContact N-O 3.14Å; N48-D65 WeakPolarHBondContact CA-O 3.43Å; N48-D65 WeakPolarHBondContact OD1-CB 3.25Å |
| 49 | S | 98.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | trans | -115 | 146.8 | -170.1 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | C30 R47 C66 R67 | C30-S49 PolarHBondContact N-OG 3.02Å; C30-S49 VanDerWaalsContact N-OG 3.17Å; C30-S49 CarbonylContact O-C 3.52Å; C30-S49 WeakPolarHBondContact O-CA 3.46Å; C30-S49 VanDerWaalsContact O-CB 3.22Å; C30-S49 WeakPolarHBondContact O-CB 3.27Å; R47-S49 PolarHBondContact O-N 3.11Å; R47-S49 PolarHBondContact O-OG 2.73Å; S49-C66 WeakPolarHBondContact O-CA 3.21Å; S49-C66 WeakPolarHBondContact O-CB 3.25Å; S49-R67 PolarHBondContact O-N 2.77Å | ||
| 50 | L | 98.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 33.9 Ų | 33.9 | 37% | 0.366 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.4 | -171.6 | 173.1 | 66.9 | 0 | 0 | 0 | 111.2 | C30 Q31 D32 C52 R67 K68 | C30-L50 PolarHBondContact O-N 3.19Å; Q31-L50 VanDerWaalsContact CA-O 3.27Å; Q31-L50 WeakPolarHBondContact CA-O 3.32Å; Q31-L50 HydrophobicContact CG-CB 4.3Å; D32-L50 PolarHBondContact N-O 3.22Å; L50-C52 PolarHBondContact O-N 2.97Å; L50-R67 WeakPolarHBondContact CA-O 3.14Å; L50-R67 HydrophobicContact CD1-CB 3.7Å; L50-K68 HydrophobicContact CD1-CD 4.46Å |
| 51 | D | 98.1 | Very high | 95 | Very high | 89 Ų | 89 | 34 Ų | 34 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.9 | 46.8 | 172.3 | -151.7 | 10.6 | 0 | 0 | 0 | 112.7 | D32 R67 K68 | D32-D51 WeakPolarHBondContact CA-O 3.03Å; D32-D51 PolarHBondContact N-O 3.02Å; D51-R67 PolarHBondContact N-O 2.79Å; D51-K68 WeakPolarHBondContact CA-O 3.44Å; D51-K68 HydrophobicContact CB-CB 4.5Å; D51-K68 PolarHBondContact N-O 2.92Å |
| 52 | C | 98.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.8 | -178.6 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | C30 C33 L50 L54 K68 L69 Q70 | C30-C52 PolarHBondContact O-SG 2.9Å; C33-C52 CarbonylContact O-C 3.59Å; C33-C52 VanDerWaalsContact O-CA 3.23Å; C33-C52 WeakPolarHBondContact O-CA 3.39Å; L50-C52 PolarHBondContact O-N 2.97Å; C52-L54 HydrophobicContact CB-CD1 4.15Å; C52-K68 PolarHBondContact N-O 2.82Å; C52-L69 HydrophobicContact CB-CD2 3.71Å; C52-L69 WeakPolarHBondContact O-CA 3.34Å; C52-Q70 PolarHBondContact O-N 2.86Å |
| 53 | R | 97 | Very high | 95.4 | Very high | 102 Ų | 102 | 35.3 Ų | 35.3 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.5 | 170.8 | -171.5 | 177.1 | -68.8 | 151.7 | 1.8 | 109.9 | C33 Q34 I35 W55 Q70 | C33-R53 PolarHBondContact O-N 2.84Å; Q34-R53 CarbonylContact C-O 3.58Å; Q34-R53 WeakPolarHBondContact CA-O 3.27Å; Q34-R53 HydrophobicContact CG-CB 4.46Å; I35-R53 PolarHBondContact N-O 3.17Å; R53-W55 HydrophobicContact CB-CH2 4.38Å; R53-W55 HydrophobicContact CB-CZ3 4.23Å; R53-W55 HydrophobicContact CG-CE3 4.35Å; R53-W55 HydrophobicContact CG-CH2 3.59Å; R53-W55 HydrophobicContact CG-CZ2 4.06Å; R53-W55 HydrophobicContact CG-CZ3 3.72Å; R53-Q70 CarbonylContact C-O 3.54Å; R53-Q70 VanDerWaalsContact CA-O 3.28Å; R53-Q70 WeakPolarHBondContact CA-O 3.02Å; R53-Q70 HydrophobicContact CB-CB 4.4Å; R53-Q70 HydrophobicContact CG-CB 4.02Å |
| 54 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.5 | -174.6 | -59.9 | 104.5 | 0 | 0 | 0 | 111.8 | I27 I35 I46 C52 V56 L69 Q70 V71 S72 | I27-L54 HydrophobicContact CD1-CD2 3.56Å; I35-L54 HydrophobicContact CB-CD2 4.37Å; I35-L54 HydrophobicContact CB-CG 4.47Å; I35-L54 HydrophobicContact CD1-CD2 4.47Å; I35-L54 CarbonylContact O-C 3.59Å; I35-L54 VanDerWaalsContact O-CA 3.32Å; I35-L54 WeakPolarHBondContact O-CA 3.46Å; I46-L54 HydrophobicContact CD1-CD1 3.95Å; I46-L54 HydrophobicContact CD1-CD2 3.93Å; C52-L54 HydrophobicContact CB-CD1 4.15Å; L54-V56 HydrophobicContact CB-CG2 3.77Å; L54-V56 HydrophobicContact CD2-CG2 4.31Å; L54-L69 HydrophobicContact CD1-CD1 4.4Å; L54-L69 HydrophobicContact CD1-CD2 4.25Å; L54-Q70 PolarHBondContact N-O 2.92Å; L54-V71 HydrophobicContact CB-CG1 4.24Å; L54-V71 HydrophobicContact CD1-CG2 4.12Å; L54-S72 PolarHBondContact O-N 2.99Å |
| 55 | W | 92.9 | Very high | 95.3 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 20% | 0.197 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 112.8 | 164.8 | -65.6 | -101.1 | 0 | 0 | 0 | 108.1 | Q34 I35 V36 L37 R53 S72 L92 I94 | Q34-W55 HydrophobicContact CB-CZ3 4.25Å; I35-W55 PolarHBondContact O-N 2.78Å; V36-W55 HydrophobicContact CG1-CB 4.31Å; V36-W55 HydrophobicContact CG2-CB 4.46Å; V36-W55 HydrophobicContact CG2-CD2 4.12Å; V36-W55 HydrophobicContact CG2-CE3 3.59Å; V36-W55 HydrophobicContact CG2-CZ3 4.1Å; L37-W55 PolarHBondContact N-O 3.21Å; R53-W55 HydrophobicContact CB-CH2 4.38Å; R53-W55 HydrophobicContact CB-CZ3 4.23Å; R53-W55 HydrophobicContact CG-CE3 4.35Å; R53-W55 HydrophobicContact CG-CH2 3.59Å; R53-W55 HydrophobicContact CG-CZ2 4.06Å; R53-W55 HydrophobicContact CG-CZ3 3.72Å; W55-S72 WeakPolarHBondContact CA-O 3.36Å; W55-S72 VanDerWaalsContact CD1-CB 3.42Å; W55-L92 HydrophobicContact CB-CD1 3.93Å; W55-I94 HydrophobicContact CB-CG2 3.65Å; W55-I94 VanDerWaalsContact CD1-CG2 3.44Å; W55-I94 HydrophobicContact CG-CG2 3.74Å |
| 56 | V | 92.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 128 | -165.9 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | L37 V44 L54 C58 F61 V71 S72 L73 Y74 | L37-V56 HydrophobicContact CD1-CG1 4.34Å; L37-V56 HydrophobicContact CD1-CG2 4.04Å; V44-V56 HydrophobicContact CB-CG1 3.89Å; V44-V56 HydrophobicContact CG1-CG1 3.99Å; V44-V56 HydrophobicContact CG2-CG1 3.78Å; L54-V56 HydrophobicContact CB-CG2 3.77Å; L54-V56 HydrophobicContact CD2-CG2 4.31Å; V56-C58 HydrophobicContact CG1-CB 4.11Å; V56-F61 HydrophobicContact CB-CE2 4.47Å; V56-F61 HydrophobicContact CG1-CD2 3.99Å; V56-F61 HydrophobicContact CG1-CE2 4.24Å; V56-F61 HydrophobicContact CG2-CE2 4.05Å; V56-V71 HydrophobicContact CG2-CG1 4.41Å; V56-S72 PolarHBondContact N-O 2.89Å; V56-L73 HydrophobicContact CB-CD1 3.9Å; V56-L73 HydrophobicContact CG1-CD1 4.04Å; V56-L73 CarbonylContact O-C 3.55Å; V56-Y74 PolarHBondContact O-N 3.05Å |
| 57 | L | 88.5 | Confident | 95 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 107.3 | 170.6 | 175.9 | 60.3 | 0 | 0 | 0 | 108.6 | P39 C40 Y74 L92 L99 W103 V115 | P39-L57 HydrophobicContact CB-CD2 3.81Å; P39-L57 HydrophobicContact CB-CG 4.23Å; C40-L57 PolarHBondContact N-O 3.27Å; L57-Y74 HydrophobicContact CD1-CD1 3.3Å; L57-Y74 HydrophobicContact CD1-CE1 4.05Å; L57-Y74 HydrophobicContact CD1-CG 3.67Å; L57-L92 HydrophobicContact CB-CD2 3.83Å; L57-L92 HydrophobicContact CD1-CD2 4.24Å; L57-L99 HydrophobicContact CD2-CD1 3.79Å; L57-W103 HydrophobicContact CD1-CD2 4.14Å; L57-W103 HydrophobicContact CD1-CE3 3.95Å; L57-W103 HydrophobicContact CD1-CH2 3.73Å; L57-W103 HydrophobicContact CD1-CZ2 3.93Å; L57-W103 HydrophobicContact CD1-CZ3 3.75Å; L57-W103 HydrophobicContact CD2-CB 4.3Å; L57-W103 HydrophobicContact CD2-CD2 3.87Å; L57-W103 HydrophobicContact CD2-CE3 3.7Å; L57-W103 HydrophobicContact CD2-CG 4.16Å; L57-W103 HydrophobicContact CD2-CZ3 4.26Å; L57-W103 HydrophobicContact CG-CD2 4.18Å; L57-W103 HydrophobicContact CG-CE3 3.68Å; L57-W103 HydrophobicContact CG-CH2 4.23Å; L57-W103 HydrophobicContact CG-CZ3 3.71Å; L57-V115 HydrophobicContact CD2-CG2 3.45Å; L57-V115 VanDerWaalsContact CD2-CG2 3.45Å |
| 58 | C | 90.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 177.8 | -174.6 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | C40 V44 V56 Q60 Y74 C75 | C40-C58 HydrophobicContact CB-CB 3.84Å; C40-C58 WeakPolarHBondContact O-CA 3.36Å; V44-C58 HydrophobicContact CB-CB 4.28Å; V44-C58 HydrophobicContact CG2-CB 3.64Å; V56-C58 HydrophobicContact CG1-CB 4.11Å; C58-Q60 PolarHBondContact SG-O 2.79Å; C58-Q60 VanDerWaalsContact SG-O 3.35Å; C58-Y74 PolarHBondContact N-O 3.11Å; C58-C75 VanDerWaalsContact O-CA 3.23Å; C58-C75 WeakPolarHBondContact O-CA 3.48Å |
| 59 | Q | 88.8 | Confident | 94.6 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -81.4 | -51.4 | 171 | -61.9 | -62.8 | -6 | 0 | 0 | 112 | C40 S41 G42 Q76 S77 N107 | C40-Q59 PolarHBondContact O-N 2.9Å; S41-Q59 VanDerWaalsContact C-CG 3.49Å; S41-Q59 WeakPolarHBondContact O-CG 3.48Å; G42-Q59 WeakPolarHBondContact O-CB 3.43Å; G42-Q59 PolarHBondContact O-N 2.64Å; Q59-Q76 PolarHBondContact O-N 3.43Å; Q59-Q76 VanDerWaalsContact O-N 3.17Å; Q59-Q76 VanDerWaalsContact OE1-NE2 3.09Å; Q59-S77 PolarHBondContact O-N 3.25Å; Q59-S77 PolarHBondContact O-OG 2.06Å; Q59-N107 PolarHBondContact NE2-OD1 3.39Å |
| 60 | Q | 91.5 | Very high | 94.4 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132 | -178.9 | -63.4 | 175.8 | 9.4 | 0 | 0 | 109.3 | G42 S43 V44 C58 R62 | G42-Q60 PolarHBondContact O-N 2.73Å; S43-Q60 CarbonylContact C-O 3.55Å; S43-Q60 WeakPolarHBondContact CA-O 3.35Å; V44-Q60 PolarHBondContact N-O 3.47Å; C58-Q60 PolarHBondContact SG-O 2.79Å; C58-Q60 VanDerWaalsContact SG-O 3.35Å; Q60-R62 VanDerWaalsContact OE1-CZ 3.29Å; Q60-R62 VanDerWaalsContact OE1-NH1 3.1Å |
| 61 | F | 93.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.2 | 175.7 | -173.2 | -114.3 | 0 | 0 | 0 | 110.3 | V44 I46 V56 I63 V71 L73 C75 P79 S80 F89 | V44-F61 HydrophobicContact CB-CD2 4.03Å; V44-F61 HydrophobicContact CB-CE2 4.45Å; V44-F61 HydrophobicContact CG1-CD2 4.07Å; V44-F61 HydrophobicContact CG1-CE2 3.99Å; V44-F61 WeakPolarHBondContact O-CA 3.32Å; I46-F61 HydrophobicContact CG2-CZ 4.18Å; V56-F61 HydrophobicContact CB-CE2 4.47Å; V56-F61 HydrophobicContact CG1-CD2 3.99Å; V56-F61 HydrophobicContact CG1-CE2 4.24Å; V56-F61 HydrophobicContact CG2-CE2 4.05Å; F61-I63 HydrophobicContact CD1-CD1 4.42Å; F61-I63 HydrophobicContact CD1-CG1 4.21Å; F61-I63 HydrophobicContact CE1-CD1 3.56Å; F61-I63 HydrophobicContact CE1-CG1 3.49Å; F61-I63 VanDerWaalsContact CE1-CG1 3.49Å; F61-I63 HydrophobicContact CZ-CD1 4.18Å; F61-I63 HydrophobicContact CZ-CG1 3.87Å; F61-V71 HydrophobicContact CE1-CB 4.42Å; F61-V71 HydrophobicContact CE1-CG1 3.68Å; F61-V71 HydrophobicContact CE1-CG2 4.21Å; F61-V71 HydrophobicContact CE2-CG1 4.37Å; F61-V71 HydrophobicContact CZ-CG1 3.59Å; F61-V71 HydrophobicContact CZ-CG2 4.17Å; F61-L73 HydrophobicContact CB-CD1 3.77Å; F61-L73 HydrophobicContact CB-CD2 3.95Å; F61-L73 HydrophobicContact CD1-CD1 4.06Å; F61-L73 HydrophobicContact CD1-CD2 3.51Å; F61-L73 HydrophobicContact CD1-CG 4.42Å; F61-L73 HydrophobicContact CD2-CD1 4.05Å; F61-L73 HydrophobicContact CE1-CD2 4.24Å; F61-L73 HydrophobicContact CG-CD1 3.69Å; F61-L73 HydrophobicContact CG-CD2 3.9Å; F61-L73 HydrophobicContact CG-CG 4.47Å; F61-C75 HydrophobicContact CB-CB 4.28Å; F61-P79 HydrophobicContact CB-CB 4.34Å; F61-P79 HydrophobicContact CD1-CB 4.07Å; F61-P79 WeakPolarHBondContact O-CA 3.23Å; F61-S80 PolarHBondContact O-N 3.41Å; F61-F89 AromaticContact CD1-CE1 3.98Å; F61-F89 HydrophobicContact CD1-CE1 3.98Å; F61-F89 HydrophobicContact CD1-CZ 4.41Å; F61-F89 AromaticContact CE1-CE1 3.74Å; F61-F89 HydrophobicContact CE1-CE1 3.74Å; F61-F89 HydrophobicContact CE1-CZ 4.21Å |
| 62 | R | 95.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 41.8 Ų | 41.8 | 36% | 0.362 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.3 | -179.9 | -56.4 | -153 | 170.2 | 80.4 | 5 | 110.8 | V44 F45 I46 Q60 S80 | V44-R62 PolarHBondContact O-N 2.94Å; F45-R62 WeakPolarHBondContact CA-O 3.39Å; F45-R62 HydrophobicContact CB-CB 4.34Å; F45-R62 HydrophobicContact CD2-CB 3.47Å; F45-R62 VanDerWaalsContact CD2-CB 3.47Å; F45-R62 WeakPolarHBondContact CD2-O 3.23Å; F45-R62 HydrophobicContact CE2-CB 3.85Å; F45-R62 HydrophobicContact CG-CB 3.99Å; I46-R62 PolarHBondContact N-O 2.83Å; Q60-R62 VanDerWaalsContact OE1-CZ 3.29Å; Q60-R62 VanDerWaalsContact OE1-NH1 3.1Å; R62-S80 CarbonylContact C-O 3.59Å; R62-S80 WeakPolarHBondContact CA-O 3.45Å; R62-S80 VanDerWaalsContact CG-OG 3.23Å; R62-S80 WeakPolarHBondContact CG-OG 3.21Å |
| 63 | I | 95.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.3 | 173.5 | -56.9 | 173.6 | 0 | 0 | 0 | 108 | I46 F61 C66 L69 S80 L81 E82 S84 I87 F89 | I46-I63 HydrophobicContact CG2-CB 4.15Å; I46-I63 HydrophobicContact CG2-CG1 3.75Å; I46-I63 HydrophobicContact CG2-CG2 4.13Å; I46-I63 WeakPolarHBondContact O-CA 3.42Å; F61-I63 HydrophobicContact CD1-CD1 4.42Å; F61-I63 HydrophobicContact CD1-CG1 4.21Å; F61-I63 HydrophobicContact CE1-CD1 3.56Å; F61-I63 HydrophobicContact CE1-CG1 3.49Å; F61-I63 VanDerWaalsContact CE1-CG1 3.49Å; F61-I63 HydrophobicContact CZ-CD1 4.18Å; F61-I63 HydrophobicContact CZ-CG1 3.87Å; I63-C66 HydrophobicContact CG2-CB 3.52Å; I63-L69 HydrophobicContact CD1-CD1 4.15Å; I63-L69 HydrophobicContact CG1-CD1 4.4Å; I63-L69 HydrophobicContact CG2-CD1 3.9Å; I63-S80 PolarHBondContact N-O 3.3Å; I63-L81 HydrophobicContact CB-CG 4.28Å; I63-L81 HydrophobicContact CD1-CD1 4.22Å; I63-L81 HydrophobicContact CD1-CG 3.99Å; I63-L81 CarbonylContact O-C 3.58Å; I63-L81 WeakPolarHBondContact O-CA 3.36Å; I63-E82 PolarHBondContact O-N 2.98Å; I63-S84 WeakPolarHBondContact CG2-OG 3.41Å; I63-I87 HydrophobicContact CD1-CG1 4.47Å; I63-I87 HydrophobicContact CD1-CG2 3.64Å; I63-F89 HydrophobicContact CD1-CE1 4.37Å; I63-F89 HydrophobicContact CD1-CZ 3.8Å |
| 64 | R | 95.4 | Very high | 92.5 | Very high | 77 Ų | 77 | 37.1 Ų | 37.1 | 29% | 0.291 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139.7 | 169.6 | -171.5 | 175 | 67.5 | -164.1 | 3.9 | 112.5 | F45 I46 R47 N48 C66 E82 | F45-R64 HydrophobicContact CE2-CB 3.71Å; F45-R64 HydrophobicContact CZ-CB 3.98Å; I46-R64 PolarHBondContact O-N 2.83Å; R47-R64 WeakPolarHBondContact CA-O 3.37Å; R47-R64 VanDerWaalsContact CD-NH2 3.32Å; R47-R64 HydrophobicContact CG-CB 4.31Å; N48-R64 PolarHBondContact N-O 3.14Å; R64-C66 PolarHBondContact O-N 2.92Å; R64-C66 VanDerWaalsContact O-N 3.11Å; R64-C66 PolarHBondContact O-SG 3.32Å; R64-E82 CarbonylContact C-O 3.57Å; R64-E82 VanDerWaalsContact CA-O 3.25Å; R64-E82 WeakPolarHBondContact CA-O 3.31Å; R64-E82 HydrophobicContact CB-CB 4.36Å; R64-E82 VanDerWaalsContact CD-OE2 3.23Å; R64-E82 WeakPolarHBondContact CD-OE2 3.36Å; R64-E82 HydrophobicContact CG-CB 4.04Å; R64-E82 HydrophobicContact CG-CG 4.14Å |
| 65 | D | 95.8 | Very high | 91.9 | Very high | 75 Ų | 75 | 37.1 Ų | 37.1 | 40% | 0.401 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 53.6 | 34.1 | 175.2 | -60 | -47.6 | 0 | 0 | 0 | 113.9 | N48 E82 S83 S84 | N48-D65 WeakPolarHBondContact CA-O 3.43Å; N48-D65 WeakPolarHBondContact OD1-CB 3.25Å; D65-E82 PolarHBondContact N-O 3.06Å; D65-S83 WeakPolarHBondContact CA-O 3.27Å; D65-S83 WeakPolarHBondContact OD1-CB 3.38Å; D65-S84 PolarHBondContact N-OG 3Å |
| 66 | C | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -109.4 | 154.4 | -177.9 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | S49 I63 R64 L69 S84 R85 | S49-C66 WeakPolarHBondContact O-CA 3.21Å; S49-C66 WeakPolarHBondContact O-CB 3.25Å; I63-C66 HydrophobicContact CG2-CB 3.52Å; R64-C66 PolarHBondContact O-N 2.92Å; R64-C66 VanDerWaalsContact O-N 3.11Å; R64-C66 PolarHBondContact O-SG 3.32Å; C66-L69 HydrophobicContact CB-CD1 3.57Å; C66-L69 HydrophobicContact CB-CD2 4.44Å; C66-L69 HydrophobicContact CB-CG 3.97Å; C66-S84 PolarHBondContact N-OG 2.75Å; C66-S84 CarbonylContact O-C 3.54Å; C66-S84 WeakPolarHBondContact O-CA 3.49Å; C66-S84 VanDerWaalsContact O-CB 3.3Å; C66-S84 WeakPolarHBondContact O-CB 3.27Å; C66-R85 PolarHBondContact O-N 2.82Å | ||
| 67 | R | 94.1 | Very high | 90.8 | Very high | 146 Ų | 146 | 39.4 Ų | 39.4 | 55% | 0.551 | 18% | 0.177 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 144.8 | 177.3 | -63 | -178.3 | -172.9 | -160.1 | 2.5 | 111.8 | S49 L50 D51 R85 | S49-R67 PolarHBondContact O-N 2.77Å; L50-R67 WeakPolarHBondContact CA-O 3.14Å; L50-R67 HydrophobicContact CD1-CB 3.7Å; D51-R67 PolarHBondContact N-O 2.79Å; R67-R85 VanDerWaalsContact CA-O 3.28Å; R67-R85 WeakPolarHBondContact CA-O 3.45Å |
| 68 | K | 95 | Very high | 90.5 | Very high | 120 Ų | 120 | 41.4 Ų | 41.4 | 52% | 0.522 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.3 | 61 | 177.7 | -61.6 | -178.7 | 177.8 | -178 | 0 | 111.5 | L50 D51 C52 R85 S86 | L50-K68 HydrophobicContact CD1-CD 4.46Å; D51-K68 WeakPolarHBondContact CA-O 3.44Å; D51-K68 HydrophobicContact CB-CB 4.5Å; D51-K68 PolarHBondContact N-O 2.92Å; C52-K68 PolarHBondContact N-O 2.82Å; K68-R85 PolarHBondContact N-O 2.81Å; K68-R85 VanDerWaalsContact N-O 3.08Å; K68-S86 CarbonylContact C-O 3.53Å; K68-S86 WeakPolarHBondContact CA-O 3.3Å; K68-S86 PolarHBondContact N-O 2.9Å |
| 69 | L | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 134.7 | 175.1 | -60.4 | -171 | 0 | 0 | 0 | 110.3 | I46 C52 L54 I63 C66 V71 S86 I87 E88 | I46-L69 HydrophobicContact CD1-CD1 4.03Å; I46-L69 HydrophobicContact CD1-CD2 4.23Å; I46-L69 HydrophobicContact CG2-CD1 4.01Å; C52-L69 HydrophobicContact CB-CD2 3.71Å; C52-L69 WeakPolarHBondContact O-CA 3.34Å; L54-L69 HydrophobicContact CD1-CD1 4.4Å; L54-L69 HydrophobicContact CD1-CD2 4.25Å; I63-L69 HydrophobicContact CD1-CD1 4.15Å; I63-L69 HydrophobicContact CG1-CD1 4.4Å; I63-L69 HydrophobicContact CG2-CD1 3.9Å; C66-L69 HydrophobicContact CB-CD1 3.57Å; C66-L69 HydrophobicContact CB-CD2 4.44Å; C66-L69 HydrophobicContact CB-CG 3.97Å; L69-V71 HydrophobicContact CB-CG2 3.95Å; L69-S86 PolarHBondContact N-O 2.92Å; L69-S86 VanDerWaalsContact N-O 3.08Å; L69-I87 HydrophobicContact CB-CD1 3.7Å; L69-I87 HydrophobicContact CB-CG2 4.33Å; L69-I87 HydrophobicContact CD1-CD1 4Å; L69-I87 HydrophobicContact CG-CD1 3.72Å; L69-I87 CarbonylContact O-C 3.6Å; L69-I87 WeakPolarHBondContact O-CA 3.36Å; L69-E88 PolarHBondContact O-N 2.92Å |
| 70 | Q | 92.6 | Very high | 90.4 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 109.4 | 167 | -68.8 | -173.4 | -28.2 | 0 | 0 | 108.6 | C52 R53 L54 E88 | C52-Q70 PolarHBondContact O-N 2.86Å; R53-Q70 CarbonylContact C-O 3.54Å; R53-Q70 VanDerWaalsContact CA-O 3.28Å; R53-Q70 WeakPolarHBondContact CA-O 3.02Å; R53-Q70 HydrophobicContact CB-CB 4.4Å; R53-Q70 HydrophobicContact CG-CB 4.02Å; L54-Q70 PolarHBondContact N-O 2.92Å; Q70-E88 CarbonylContact C-O 3.5Å; Q70-E88 HydrophobicContact CG-CB 4.33Å; Q70-E88 WeakPolarHBondContact CG-OE2 3.39Å; Q70-E88 PolarHBondContact NE2-OE2 2.9Å |
| 71 | V | 91.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 104.9 | -171.3 | -165.3 | 0 | 0 | 0 | 0 | 110 | L54 V56 F61 L69 L73 I87 E88 F89 T90 | L54-V71 HydrophobicContact CB-CG1 4.24Å; L54-V71 HydrophobicContact CD1-CG2 4.12Å; V56-V71 HydrophobicContact CG2-CG1 4.41Å; F61-V71 HydrophobicContact CE1-CB 4.42Å; F61-V71 HydrophobicContact CE1-CG1 3.68Å; F61-V71 HydrophobicContact CE1-CG2 4.21Å; F61-V71 HydrophobicContact CE2-CG1 4.37Å; F61-V71 HydrophobicContact CZ-CG1 3.59Å; F61-V71 HydrophobicContact CZ-CG2 4.17Å; L69-V71 HydrophobicContact CB-CG2 3.95Å; V71-L73 HydrophobicContact CG1-CB 3.85Å; V71-L73 PolarHBondContact O-N 2.86Å; V71-I87 HydrophobicContact CG2-CG2 4.41Å; V71-E88 PolarHBondContact N-O 3.35Å; V71-F89 HydrophobicContact CB-CD1 3.78Å; V71-F89 HydrophobicContact CB-CE1 3.86Å; V71-F89 HydrophobicContact CG1-CD1 4.24Å; V71-F89 HydrophobicContact CG1-CE1 4.1Å; V71-F89 HydrophobicContact CG2-CD1 4.49Å; V71-F89 HydrophobicContact CG2-CE1 4.2Å; V71-F89 WeakPolarHBondContact O-CA 3.36Å; V71-T90 PolarHBondContact O-N 3.27Å |
| 72 | S | 89 | Confident | 90.1 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 102.6 | 161.6 | -67.5 | 0 | 0 | 0 | 0 | 108.1 | L54 W55 V56 T90 L92 | L54-S72 PolarHBondContact O-N 2.99Å; W55-S72 WeakPolarHBondContact CA-O 3.36Å; W55-S72 VanDerWaalsContact CD1-CB 3.42Å; V56-S72 PolarHBondContact N-O 2.89Å; S72-T90 WeakPolarHBondContact CA-O 3.28Å; S72-T90 WeakPolarHBondContact CA-OG1 3.43Å; S72-T90 PolarHBondContact OG-OG1 2.89Å; S72-L92 VanDerWaalsContact O-CD1 3.28Å; S72-L92 WeakPolarHBondContact O-CD1 3.03Å |
| 73 | L | 86.7 | Confident | 89.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138 | -165.8 | 177.2 | 62.6 | 0 | 0 | 0 | 111.4 | V56 F61 V71 C75 P79 F89 T90 L92 N138 W140 | V56-L73 HydrophobicContact CB-CD1 3.9Å; V56-L73 HydrophobicContact CG1-CD1 4.04Å; V56-L73 CarbonylContact O-C 3.55Å; F61-L73 HydrophobicContact CB-CD1 3.77Å; F61-L73 HydrophobicContact CB-CD2 3.95Å; F61-L73 HydrophobicContact CD1-CD1 4.06Å; F61-L73 HydrophobicContact CD1-CD2 3.51Å; F61-L73 HydrophobicContact CD1-CG 4.42Å; F61-L73 HydrophobicContact CD2-CD1 4.05Å; F61-L73 HydrophobicContact CE1-CD2 4.24Å; F61-L73 HydrophobicContact CG-CD1 3.69Å; F61-L73 HydrophobicContact CG-CD2 3.9Å; F61-L73 HydrophobicContact CG-CG 4.47Å; V71-L73 HydrophobicContact CG1-CB 3.85Å; V71-L73 PolarHBondContact O-N 2.86Å; L73-C75 HydrophobicContact CD1-CB 4.1Å; L73-C75 HydrophobicContact CG-CB 4.39Å; L73-P79 HydrophobicContact CD2-CB 4.01Å; L73-P79 HydrophobicContact CD2-CG 4.26Å; L73-F89 HydrophobicContact CB-CD1 4.19Å; L73-F89 HydrophobicContact CD2-CD1 3.89Å; L73-F89 HydrophobicContact CD2-CE1 3.65Å; L73-T90 PolarHBondContact N-O 2.7Å; L73-L92 PolarHBondContact O-N 2.99Å; L73-N138 VanDerWaalsContact O-CG 3.23Å; L73-N138 PolarHBondContact O-ND2 2.86Å; L73-N138 PolarHBondContact O-OD1 2.84Å; L73-N138 VanDerWaalsContact O-OD1 3.06Å; L73-W140 HydrophobicContact CB-CZ2 3.93Å; L73-W140 HydrophobicContact CD2-CZ2 3.88Å; L73-W140 HydrophobicContact CG-CZ2 4.02Å |
| 74 | Y | 85.4 | Confident | 89.6 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.9 | 149.6 | 177.1 | -76 | 0 | 0 | 0 | 108.6 | V56 L57 C58 Q76 W103 N138 | V56-Y74 PolarHBondContact O-N 3.05Å; L57-Y74 HydrophobicContact CD1-CD1 3.3Å; L57-Y74 HydrophobicContact CD1-CE1 4.05Å; L57-Y74 HydrophobicContact CD1-CG 3.67Å; C58-Y74 PolarHBondContact N-O 3.11Å; Y74-Q76 HydrophobicContact CE1-CG 4.12Å; Y74-W103 HydrophobicContact CD1-CH2 4.09Å; Y74-W103 HydrophobicContact CD1-CZ2 4.13Å; Y74-W103 AromaticContact CE1-CH2 3.63Å; Y74-W103 HydrophobicContact CE1-CH2 3.63Å; Y74-W103 AromaticContact CE1-CZ2 3.42Å; Y74-W103 HydrophobicContact CE1-CZ2 3.42Å; Y74-W103 VanDerWaalsContact CE1-CZ2 3.42Å; Y74-W103 AromaticContact CZ-CZ2 3.98Å; Y74-N138 VanDerWaalsContact CA-OD1 3.29Å; Y74-N138 WeakPolarHBondContact CA-OD1 3.48Å |
| 75 | C | 83.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 152.3 | 165.6 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | C58 F61 L73 S77 W140 | C58-C75 VanDerWaalsContact O-CA 3.23Å; C58-C75 WeakPolarHBondContact O-CA 3.48Å; F61-C75 HydrophobicContact CB-CB 4.28Å; L73-C75 HydrophobicContact CD1-CB 4.1Å; L73-C75 HydrophobicContact CG-CB 4.39Å; C75-S77 PolarHBondContact SG-O 2.99Å; C75-W140 PolarHBondContact SG-NE1 2.92Å |
| 76 | Q | 80.3 | Confident | 89 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -78.3 | -30.3 | -178.3 | -67.2 | -165.5 | 7.9 | 0 | 0 | 112.8 | Q59 Y74 N107 | Q59-Q76 PolarHBondContact O-N 3.43Å; Q59-Q76 VanDerWaalsContact O-N 3.17Å; Q59-Q76 VanDerWaalsContact OE1-NE2 3.09Å; Y74-Q76 HydrophobicContact CE1-CG 4.12Å; Q76-N107 PolarHBondContact NE2-ND2 3.38Å; Q76-N107 PolarHBondContact NE2-OD1 3.02Å |
| 77 | S | 82.2 | Confident | 88.6 | Confident | 43 Ų | 43 | 40.1 Ų | 40.1 | 30% | 0.301 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -94.1 | 170 | 172.5 | 73.5 | 0 | 0 | 0 | 0 | 111.5 | Q59 C75 | Q59-S77 PolarHBondContact O-N 3.25Å; Q59-S77 PolarHBondContact O-OG 2.06Å; C75-S77 PolarHBondContact SG-O 2.99Å |
| 78 | S | 82.9 | Confident | 88.3 | Confident | 44 Ų | 44 | 36.1 Ų | 36.1 | 31% | 0.308 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -62 | 135.1 | 161.5 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 79 | P | 87.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 148.1 | 172.7 | 27.6 | -32.9 | 0 | 0 | 0 | 110.2 | F61 L73 L81 F89 W140 A143 H144 | F61-P79 HydrophobicContact CB-CB 4.34Å; F61-P79 HydrophobicContact CD1-CB 4.07Å; F61-P79 WeakPolarHBondContact O-CA 3.23Å; L73-P79 HydrophobicContact CD2-CB 4.01Å; L73-P79 HydrophobicContact CD2-CG 4.26Å; P79-L81 HydrophobicContact CB-CD1 4.31Å; P79-F89 HydrophobicContact CB-CE1 4.49Å; P79-F89 HydrophobicContact CB-CZ 4.21Å; P79-F89 HydrophobicContact CG-CZ 4.28Å; P79-W140 HydrophobicContact CG-CD2 4.28Å; P79-W140 HydrophobicContact CG-CG 4.33Å; P79-A143 HydrophobicContact CG-CB 3.96Å; P79-A143 WeakPolarHBondContact O-CA 2.95Å; P79-H144 PolarHBondContact O-N 3.43Å |
| 80 | S | 88.7 | Confident | 87.2 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.1 | 176 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | F61 R62 I63 H144 | F61-S80 PolarHBondContact O-N 3.41Å; R62-S80 CarbonylContact C-O 3.59Å; R62-S80 WeakPolarHBondContact CA-O 3.45Å; R62-S80 VanDerWaalsContact CG-OG 3.23Å; R62-S80 WeakPolarHBondContact CG-OG 3.21Å; I63-S80 PolarHBondContact N-O 3.3Å; S80-H144 CarbonylContact C-O 3.52Å; S80-H144 WeakPolarHBondContact CA-O 3Å |
| 81 | L | 89 | Confident | 86.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.2 | -179.8 | -75.7 | 64.8 | 0 | 0 | 0 | 108.7 | I63 P79 I87 F89 A143 H144 F146 A154 | I63-L81 HydrophobicContact CB-CG 4.28Å; I63-L81 HydrophobicContact CD1-CD1 4.22Å; I63-L81 HydrophobicContact CD1-CG 3.99Å; I63-L81 CarbonylContact O-C 3.58Å; I63-L81 WeakPolarHBondContact O-CA 3.36Å; P79-L81 HydrophobicContact CB-CD1 4.31Å; L81-I87 HydrophobicContact CD2-CB 4.1Å; L81-I87 HydrophobicContact CD2-CG1 3.97Å; L81-I87 HydrophobicContact CD2-CG2 4.22Å; L81-F89 HydrophobicContact CD1-CE2 3.93Å; L81-F89 HydrophobicContact CD1-CZ 3.81Å; L81-F89 HydrophobicContact CD2-CE2 4.07Å; L81-F89 HydrophobicContact CD2-CZ 4.49Å; L81-A143 HydrophobicContact CD1-CB 3.72Å; L81-H144 PolarHBondContact N-O 3.12Å; L81-F146 WeakPolarHBondContact O-CD2 3.22Å; L81-F146 PolarHBondContact O-N 2.97Å; L81-A154 HydrophobicContact CD2-CB 3.71Å |
| 82 | E | 90.4 | Very high | 86 | Confident | 86 Ų | 86 | 30.1 Ų | 30.1 | 40% | 0.402 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 133.1 | 177.7 | -176.2 | -179.7 | -172.2 | 0 | 0 | 109.2 | I63 R64 D65 S84 F146 | I63-E82 PolarHBondContact O-N 2.98Å; R64-E82 CarbonylContact C-O 3.57Å; R64-E82 VanDerWaalsContact CA-O 3.25Å; R64-E82 WeakPolarHBondContact CA-O 3.31Å; R64-E82 HydrophobicContact CB-CB 4.36Å; R64-E82 VanDerWaalsContact CD-OE2 3.23Å; R64-E82 WeakPolarHBondContact CD-OE2 3.36Å; R64-E82 HydrophobicContact CG-CB 4.04Å; R64-E82 HydrophobicContact CG-CG 4.14Å; D65-E82 PolarHBondContact N-O 3.06Å; E82-S84 PolarHBondContact O-N 2.71Å; E82-S84 PolarHBondContact O-OG 2.88Å; E82-F146 HydrophobicContact CB-CB 4.32Å; E82-F146 HydrophobicContact CG-CB 4.28Å |
| 83 | S | 90.5 | Very high | 85.4 | Confident | 60 Ų | 60 | 35.7 Ų | 35.7 | 42% | 0.42 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 49.1 | 33.1 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 114.7 | D65 S147 | D65-S83 WeakPolarHBondContact CA-O 3.27Å; D65-S83 WeakPolarHBondContact OD1-CB 3.38Å; S83-S147 PolarHBondContact N-OG 3.12Å |
| 84 | S | 90.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -124.2 | 148.5 | -169.4 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | I63 D65 C66 E82 S147 | I63-S84 WeakPolarHBondContact CG2-OG 3.41Å; D65-S84 PolarHBondContact N-OG 3Å; C66-S84 PolarHBondContact N-OG 2.75Å; C66-S84 CarbonylContact O-C 3.54Å; C66-S84 WeakPolarHBondContact O-CA 3.49Å; C66-S84 VanDerWaalsContact O-CB 3.3Å; C66-S84 WeakPolarHBondContact O-CB 3.27Å; E82-S84 PolarHBondContact O-N 2.71Å; E82-S84 PolarHBondContact O-OG 2.88Å; S84-S147 PolarHBondContact N-OG 3.14Å; S84-S147 VanDerWaalsContact N-OG 3.11Å; S84-S147 PolarHBondContact O-OG 2.99Å | ||
| 85 | R | 88.9 | Confident | 84.4 | Confident | 92 Ų | 92 | 40.7 Ų | 40.7 | 35% | 0.347 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 153.3 | -175.4 | -66.4 | -169.6 | -178.7 | 100 | -11.9 | 113 | C66 R67 K68 D149 | C66-R85 PolarHBondContact O-N 2.82Å; R67-R85 VanDerWaalsContact CA-O 3.28Å; R67-R85 WeakPolarHBondContact CA-O 3.45Å; K68-R85 PolarHBondContact N-O 2.81Å; K68-R85 VanDerWaalsContact N-O 3.08Å; R85-D149 IonicContact CZ-OD2 3.3Å; R85-D149 VanDerWaalsContact CZ-OD2 3.3Å; R85-D149 IonicContact NE-OD2 3.09Å; R85-D149 PolarHBondContact NE-OD2 2.87Å; R85-D149 VanDerWaalsContact NE-OD2 3.09Å; R85-D149 IonicContact NH2-OD2 2.71Å; R85-D149 PolarHBondContact NH2-OD2 3.22Å |
| 86 | S | 89.6 | Confident | 84.3 | Confident | 72 Ų | 72 | 42.8 Ų | 42.8 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.2 | 51.9 | 179.6 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | K68 L69 T153 | K68-S86 CarbonylContact C-O 3.53Å; K68-S86 WeakPolarHBondContact CA-O 3.3Å; K68-S86 PolarHBondContact N-O 2.9Å; L69-S86 PolarHBondContact N-O 2.92Å; L69-S86 VanDerWaalsContact N-O 3.08Å; S86-T153 PolarHBondContact N-O 3.41Å |
| 87 | I | 88.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.2 | 176.3 | -48.1 | -56.1 | 0 | 0 | 0 | 107.8 | I63 L69 V71 L81 F89 T153 A154 N155 | I63-I87 HydrophobicContact CD1-CG1 4.47Å; I63-I87 HydrophobicContact CD1-CG2 3.64Å; L69-I87 HydrophobicContact CB-CD1 3.7Å; L69-I87 HydrophobicContact CB-CG2 4.33Å; L69-I87 HydrophobicContact CD1-CD1 4Å; L69-I87 HydrophobicContact CG-CD1 3.72Å; L69-I87 CarbonylContact O-C 3.6Å; L69-I87 WeakPolarHBondContact O-CA 3.36Å; V71-I87 HydrophobicContact CG2-CG2 4.41Å; L81-I87 HydrophobicContact CD2-CB 4.1Å; L81-I87 HydrophobicContact CD2-CG1 3.97Å; L81-I87 HydrophobicContact CD2-CG2 4.22Å; I87-F89 HydrophobicContact CG2-CD2 4.2Å; I87-F89 HydrophobicContact CG2-CE1 4.4Å; I87-F89 HydrophobicContact CG2-CE2 3.66Å; I87-F89 HydrophobicContact CG2-CZ 3.77Å; I87-T153 PolarHBondContact N-O 3.48Å; I87-A154 CarbonylContact O-C 3.6Å; I87-A154 VanDerWaalsContact O-CA 3.24Å; I87-A154 WeakPolarHBondContact O-CA 3.28Å; I87-N155 PolarHBondContact O-N 3.2Å |
| 88 | E | 87.3 | Confident | 84.1 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122 | 177.2 | -65.1 | -179.1 | 163.6 | 0 | 0 | 108.7 | L69 Q70 V71 N155 | L69-E88 PolarHBondContact O-N 2.92Å; Q70-E88 CarbonylContact C-O 3.5Å; Q70-E88 HydrophobicContact CG-CB 4.33Å; Q70-E88 WeakPolarHBondContact CG-OE2 3.39Å; Q70-E88 PolarHBondContact NE2-OE2 2.9Å; V71-E88 PolarHBondContact N-O 3.35Å; E88-N155 CarbonylContact C-O 3.57Å; E88-N155 WeakPolarHBondContact CA-O 3.17Å; E88-N155 HydrophobicContact CG-CB 4.44Å |
| 89 | F | 86 | Confident | 83.9 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 131.6 | 175.4 | -72 | -72.2 | 0 | 0 | 0 | 111 | F61 I63 V71 L73 P79 L81 I87 W140 A154 N155 F156 L157 | F61-F89 AromaticContact CD1-CE1 3.98Å; F61-F89 HydrophobicContact CD1-CE1 3.98Å; F61-F89 HydrophobicContact CD1-CZ 4.41Å; F61-F89 AromaticContact CE1-CE1 3.74Å; F61-F89 HydrophobicContact CE1-CE1 3.74Å; F61-F89 HydrophobicContact CE1-CZ 4.21Å; I63-F89 HydrophobicContact CD1-CE1 4.37Å; I63-F89 HydrophobicContact CD1-CZ 3.8Å; V71-F89 HydrophobicContact CB-CD1 3.78Å; V71-F89 HydrophobicContact CB-CE1 3.86Å; V71-F89 HydrophobicContact CG1-CD1 4.24Å; V71-F89 HydrophobicContact CG1-CE1 4.1Å; V71-F89 HydrophobicContact CG2-CD1 4.49Å; V71-F89 HydrophobicContact CG2-CE1 4.2Å; V71-F89 WeakPolarHBondContact O-CA 3.36Å; L73-F89 HydrophobicContact CB-CD1 4.19Å; L73-F89 HydrophobicContact CD2-CD1 3.89Å; L73-F89 HydrophobicContact CD2-CE1 3.65Å; P79-F89 HydrophobicContact CB-CE1 4.49Å; P79-F89 HydrophobicContact CB-CZ 4.21Å; P79-F89 HydrophobicContact CG-CZ 4.28Å; L81-F89 HydrophobicContact CD1-CE2 3.93Å; L81-F89 HydrophobicContact CD1-CZ 3.81Å; L81-F89 HydrophobicContact CD2-CE2 4.07Å; L81-F89 HydrophobicContact CD2-CZ 4.49Å; I87-F89 HydrophobicContact CG2-CD2 4.2Å; I87-F89 HydrophobicContact CG2-CE1 4.4Å; I87-F89 HydrophobicContact CG2-CE2 3.66Å; I87-F89 HydrophobicContact CG2-CZ 3.77Å; F89-W140 HydrophobicContact CB-CH2 3.75Å; F89-W140 HydrophobicContact CB-CZ3 4.2Å; F89-W140 HydrophobicContact CD1-CH2 4.44Å; F89-W140 HydrophobicContact CG-CH2 4.26Å; F89-A154 HydrophobicContact CD2-CB 4.18Å; F89-A154 HydrophobicContact CE2-CB 4.04Å; F89-N155 PolarHBondContact N-O 3.15Å; F89-F156 HydrophobicContact CB-CD1 3.63Å; F89-F156 HydrophobicContact CB-CE1 3.97Å; F89-F156 AromaticContact CD2-CD1 3.89Å; F89-F156 HydrophobicContact CD2-CD1 3.89Å; F89-F156 AromaticContact CD2-CE1 3.42Å; F89-F156 HydrophobicContact CD2-CE1 3.42Å; F89-F156 VanDerWaalsContact CD2-CE1 3.42Å; F89-F156 HydrophobicContact CD2-CZ 4.03Å; F89-F156 HydrophobicContact CE2-CE1 4.16Å; F89-F156 HydrophobicContact CE2-CZ 4.47Å; F89-F156 HydrophobicContact CG-CD1 4.11Å; F89-F156 AromaticContact CG-CE1 3.92Å; F89-F156 HydrophobicContact CG-CE1 3.92Å; F89-L157 PolarHBondContact O-N 3.4Å |
| 90 | T | 80.8 | Confident | 83.3 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 159.7 | 169.1 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | V71 S72 L73 L157 | V71-T90 PolarHBondContact O-N 3.27Å; S72-T90 WeakPolarHBondContact CA-O 3.28Å; S72-T90 WeakPolarHBondContact CA-OG1 3.43Å; S72-T90 PolarHBondContact OG-OG1 2.89Å; L73-T90 PolarHBondContact N-O 2.7Å; T90-L157 HydrophobicContact CG2-CB 4.14Å; T90-L157 HydrophobicContact CG2-CD1 4.45Å |
| 91 | C | 77.8 | Confident | 82.7 | Confident | 18 Ų | 18 | 56 Ų | 56 | 12% | 0.122 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 136.4 | 171.5 | -75.4 | 0 | 0 | 0 | 0 | 110.1 | Q93 L136 C158 | C91-Q93 PolarHBondContact O-N 3.26Å; C91-L136 HydrophobicContact CB-CB 4.43Å; C91-L136 HydrophobicContact CB-CD1 4.18Å; C91-L136 HydrophobicContact CB-CD2 4.35Å; C91-C158 HydrophobicContact CB-CB 4.21Å; C91-C158 WeakPolarHBondContact CB-SG 3.25Å; C91-C158 WeakPolarHBondContact SG-CB 3.35Å; C91-C158 CovalentContact SG-SG 2.06Å; C91-C158 PolarHBondContact SG-SG 2.85Å |
| 92 | L | 80.9 | Confident | 82.4 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | trans | -63.9 | 128.4 | -176.1 | -179.9 | 69.3 | 0 | 0 | 0 | 111.8 | W55 L57 S72 L73 I94 L136 | W55-L92 HydrophobicContact CB-CD1 3.93Å; L57-L92 HydrophobicContact CB-CD2 3.83Å; L57-L92 HydrophobicContact CD1-CD2 4.24Å; S72-L92 VanDerWaalsContact O-CD1 3.28Å; S72-L92 WeakPolarHBondContact O-CD1 3.03Å; L73-L92 PolarHBondContact O-N 2.99Å; L92-I94 HydrophobicContact CD1-CD1 4.04Å; L92-I94 HydrophobicContact CD1-CG1 3.92Å; L92-I94 HydrophobicContact CD1-CG2 3.96Å; L92-I94 HydrophobicContact CD2-CD1 4.08Å; L92-I94 HydrophobicContact CD2-CG1 3.98Å; L92-I94 HydrophobicContact CG-CD1 4.37Å; L92-I94 HydrophobicContact CG-CG1 3.94Å; L92-L136 WeakPolarHBondContact O-CD2 3.32Å | ||
| 93 | Q | 75.9 | Confident | 81.8 | Confident | 132 Ų | 132 | 52.9 Ų | 52.9 | 62% | 0.617 | 28% | 0.279 | S | S | * | . | trans | -130.1 | 87.9 | 174.1 | -64.3 | -177.9 | -57.4 | 0 | 0 | 109.8 | C91 | C91-Q93 PolarHBondContact O-N 3.26Š| ||
| 94 | I | 75.6 | Confident | 81.2 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | trans | -137.6 | 149.3 | 174.5 | 62.2 | 173.1 | 0 | 0 | 0 | 110.7 | W55 L92 L99 C119 | W55-I94 HydrophobicContact CB-CG2 3.65Å; W55-I94 VanDerWaalsContact CD1-CG2 3.44Å; W55-I94 HydrophobicContact CG-CG2 3.74Å; L92-I94 HydrophobicContact CD1-CD1 4.04Å; L92-I94 HydrophobicContact CD1-CG1 3.92Å; L92-I94 HydrophobicContact CD1-CG2 3.96Å; L92-I94 HydrophobicContact CD2-CD1 4.08Å; L92-I94 HydrophobicContact CD2-CG1 3.98Å; L92-I94 HydrophobicContact CG-CD1 4.37Å; L92-I94 HydrophobicContact CG-CG1 3.94Å; I94-L99 HydrophobicContact CD1-CD2 4.42Å; I94-L99 HydrophobicContact CG1-CD2 4.02Å; I94-L99 WeakPolarHBondContact O-CD2 3.24Å; I94-C119 PolarHBondContact O-SG 3.04Å; I94-C119 VanDerWaalsContact O-SG 3.39Å | ||
| 95 | S | 77.5 | Confident | 80.7 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 65% | 0.65 | 30% | 0.295 | S | S | * | . | trans | -151.2 | 133 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 96 | Y | 80.6 | Confident | 80.1 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | trans | -152.8 | 161.1 | 170.3 | 62.5 | -92.3 | 0 | 0 | 0 | 110.2 | L19 G38 P39 Q98 L99 E102 | L19-Y96 HydrophobicContact CB-CD2 4.43Å; L19-Y96 HydrophobicContact CB-CE2 4.14Å; L19-Y96 HydrophobicContact CD2-CD1 4.1Å; L19-Y96 HydrophobicContact CD2-CE1 3.94Å; G38-Y96 WeakPolarHBondContact CA-OH 3.3Å; P39-Y96 WeakPolarHBondContact CD-OH 3.45Å; Y96-Q98 HydrophobicContact CD2-CB 4.33Å; Y96-Q98 HydrophobicContact CE2-CB 4.15Å; Y96-Q98 PolarHBondContact O-N 2.89Å; Y96-L99 HydrophobicContact CD1-CB 3.9Å; Y96-L99 HydrophobicContact CD1-CD1 4.43Å; Y96-L99 HydrophobicContact CD1-CD2 4.2Å; Y96-L99 HydrophobicContact CD1-CG 4.41Å; Y96-L99 HydrophobicContact CD2-CB 4.09Å; Y96-L99 HydrophobicContact CE1-CB 3.75Å; Y96-L99 HydrophobicContact CE1-CD1 3.62Å; Y96-L99 HydrophobicContact CE1-CD2 4.18Å; Y96-L99 HydrophobicContact CE1-CG 4.04Å; Y96-L99 HydrophobicContact CE2-CB 3.92Å; Y96-L99 HydrophobicContact CG-CB 4.06Å; Y96-L99 WeakPolarHBondContact O-CB 3.29Å; Y96-L99 PolarHBondContact O-N 3.07Å; Y96-E102 WeakPolarHBondContact CE2-OE2 3.08Å; Y96-E102 PolarHBondContact OH-OE2 3.39Å | ||
| 97 | Y | 76.9 | Confident | 79.1 | Confident | 233 Ų | 233 | 49.7 Ų | 49.7 | 91% | 0.914 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -27.3 | -165.7 | 178.8 | -110.5 | 0 | 0 | 0 | 115.8 | ||
| 98 | Q | 81.6 | Confident | 77.7 | Confident | 111 Ų | 111 | 58.5 Ų | 58.5 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -7.5 | -174.6 | -63.5 | 173.2 | -72.1 | 0 | 0 | 114 | Y96 D100 G101 E102 | Y96-Q98 HydrophobicContact CD2-CB 4.33Å; Y96-Q98 HydrophobicContact CE2-CB 4.15Å; Y96-Q98 PolarHBondContact O-N 2.89Å; Q98-D100 VanDerWaalsContact C-N 3.3Å; Q98-D100 PolarHBondContact O-N 2.81Å; Q98-G101 PolarHBondContact O-N 3.12Å; Q98-G101 VanDerWaalsContact O-N 3.17Å; Q98-E102 HydrophobicContact CB-CG 4.17Å; Q98-E102 VanDerWaalsContact CB-OE1 3.32Å; Q98-E102 WeakPolarHBondContact CB-OE1 3.23Å; Q98-E102 WeakPolarHBondContact O-CB 3.35Å; Q98-E102 VanDerWaalsContact O-CG 3.32Å; Q98-E102 WeakPolarHBondContact O-CG 3.33Å; Q98-E102 PolarHBondContact O-N 3.09Å |
| 99 | L | 78.2 | Confident | 76.1 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.2 | -45.6 | -169.8 | 177.1 | 56.9 | 0 | 0 | 0 | 112.9 | L57 I94 Y96 E102 W103 V115 | L57-L99 HydrophobicContact CD2-CD1 3.79Å; I94-L99 HydrophobicContact CD1-CD2 4.42Å; I94-L99 HydrophobicContact CG1-CD2 4.02Å; I94-L99 WeakPolarHBondContact O-CD2 3.24Å; Y96-L99 HydrophobicContact CD1-CB 3.9Å; Y96-L99 HydrophobicContact CD1-CD1 4.43Å; Y96-L99 HydrophobicContact CD1-CD2 4.2Å; Y96-L99 HydrophobicContact CD1-CG 4.41Å; Y96-L99 HydrophobicContact CD2-CB 4.09Å; Y96-L99 HydrophobicContact CE1-CB 3.75Å; Y96-L99 HydrophobicContact CE1-CD1 3.62Å; Y96-L99 HydrophobicContact CE1-CD2 4.18Å; Y96-L99 HydrophobicContact CE1-CG 4.04Å; Y96-L99 HydrophobicContact CE2-CB 3.92Å; Y96-L99 HydrophobicContact CG-CB 4.06Å; Y96-L99 WeakPolarHBondContact O-CB 3.29Å; Y96-L99 PolarHBondContact O-N 3.07Å; L99-E102 PolarHBondContact O-N 3.19Å; L99-W103 VanDerWaalsContact O-CB 3.23Å; L99-W103 WeakPolarHBondContact O-CB 3.4Å; L99-W103 PolarHBondContact O-N 2.84Å; L99-V115 HydrophobicContact CD1-CB 4.42Å; L99-V115 HydrophobicContact CD1-CG2 4Å; L99-V115 HydrophobicContact CD2-CB 3.76Å; L99-V115 HydrophobicContact CD2-CG1 3.57Å; L99-V115 HydrophobicContact CD2-CG2 4.26Å; L99-V115 HydrophobicContact CG-CB 3.82Å; L99-V115 HydrophobicContact CG-CG1 4.11Å; L99-V115 HydrophobicContact CG-CG2 3.84Å |
| 100 | D | 74.3 | Confident | 74 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67 | -44 | -176.6 | -70.5 | -23.5 | 0 | 0 | 0 | 112 | Q98 L104 T114 V115 S116 | Q98-D100 VanDerWaalsContact C-N 3.3Å; Q98-D100 PolarHBondContact O-N 2.81Å; D100-L104 WeakPolarHBondContact O-CD1 3.35Å; D100-L104 VanDerWaalsContact O-CG 3.22Å; D100-L104 WeakPolarHBondContact O-CG 3.34Å; D100-L104 PolarHBondContact O-N 3.27Å; D100-T114 HydrophobicContact CB-CG2 3.61Å; D100-T114 WeakPolarHBondContact OD1-CG2 3.48Å; D100-T114 WeakPolarHBondContact OD2-CG2 3.34Å; D100-V115 PolarHBondContact OD1-N 2.97Å; D100-V115 VanDerWaalsContact OD1-N 3.16Å; D100-S116 PolarHBondContact OD1-N 2.87Å; D100-S116 VanDerWaalsContact OD2-CB 3.23Å; D100-S116 WeakPolarHBondContact OD2-CB 3.45Å |
| 101 | G | 76.4 | Confident | 72.3 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q98 S105 | Q98-G101 PolarHBondContact O-N 3.12Å; Q98-G101 VanDerWaalsContact O-N 3.17Å; G101-S105 PolarHBondContact O-N 3.24Å; G101-S105 VanDerWaalsContact O-N 3.12Å |
| 102 | E | 82.5 | Confident | 70.7 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.7 | -70 | 170.8 | 179.8 | 0 | 0 | 111.4 | P39 Y96 Q98 L99 S105 C106 | P39-E102 WeakPolarHBondContact CD-OE2 3.48Å; P39-E102 HydrophobicContact CG-CB 3.38Å; Y96-E102 WeakPolarHBondContact CE2-OE2 3.08Å; Y96-E102 PolarHBondContact OH-OE2 3.39Å; Q98-E102 HydrophobicContact CB-CG 4.17Å; Q98-E102 VanDerWaalsContact CB-OE1 3.32Å; Q98-E102 WeakPolarHBondContact CB-OE1 3.23Å; Q98-E102 WeakPolarHBondContact O-CB 3.35Å; Q98-E102 VanDerWaalsContact O-CG 3.32Å; Q98-E102 WeakPolarHBondContact O-CG 3.33Å; Q98-E102 PolarHBondContact O-N 3.09Å; L99-E102 PolarHBondContact O-N 3.19Å; E102-S105 WeakPolarHBondContact O-CB 3.32Å; E102-S105 PolarHBondContact O-N 3.04Å; E102-S105 VanDerWaalsContact O-N 3.14Å; E102-S105 PolarHBondContact O-OG 3.07Å; E102-C106 PolarHBondContact O-N 2.93Å |
| 103 | W | 78.6 | Confident | 69.1 | Low | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.015 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 178.4 | 178.1 | -122.3 | 0 | 0 | 0 | 111.9 | P39 L57 Y74 L99 S105 C106 N107 S113 V115 | P39-W103 HydrophobicContact CB-CB 4.23Å; P39-W103 HydrophobicContact CB-CE3 3.63Å; P39-W103 HydrophobicContact CB-CZ3 4.41Å; L57-W103 HydrophobicContact CD1-CD2 4.14Å; L57-W103 HydrophobicContact CD1-CE3 3.95Å; L57-W103 HydrophobicContact CD1-CH2 3.73Å; L57-W103 HydrophobicContact CD1-CZ2 3.93Å; L57-W103 HydrophobicContact CD1-CZ3 3.75Å; L57-W103 HydrophobicContact CD2-CB 4.3Å; L57-W103 HydrophobicContact CD2-CD2 3.87Å; L57-W103 HydrophobicContact CD2-CE3 3.7Å; L57-W103 HydrophobicContact CD2-CG 4.16Å; L57-W103 HydrophobicContact CD2-CZ3 4.26Å; L57-W103 HydrophobicContact CG-CD2 4.18Å; L57-W103 HydrophobicContact CG-CE3 3.68Å; L57-W103 HydrophobicContact CG-CH2 4.23Å; L57-W103 HydrophobicContact CG-CZ3 3.71Å; Y74-W103 HydrophobicContact CD1-CH2 4.09Å; Y74-W103 HydrophobicContact CD1-CZ2 4.13Å; Y74-W103 AromaticContact CE1-CH2 3.63Å; Y74-W103 HydrophobicContact CE1-CH2 3.63Å; Y74-W103 AromaticContact CE1-CZ2 3.42Å; Y74-W103 HydrophobicContact CE1-CZ2 3.42Å; Y74-W103 VanDerWaalsContact CE1-CZ2 3.42Å; Y74-W103 AromaticContact CZ-CZ2 3.98Å; L99-W103 VanDerWaalsContact O-CB 3.23Å; L99-W103 WeakPolarHBondContact O-CB 3.4Å; L99-W103 PolarHBondContact O-N 2.84Å; W103-S105 PolarHBondContact O-N 3.17Å; W103-C106 HydrophobicContact CE3-CB 4.4Å; W103-C106 PolarHBondContact O-N 3Å; W103-C106 VanDerWaalsContact O-N 3.12Å; W103-N107 HydrophobicContact CD2-CB 4Å; W103-N107 HydrophobicContact CE3-CB 4.11Å; W103-N107 HydrophobicContact CH2-CB 4.16Å; W103-N107 HydrophobicContact CZ2-CB 4.03Å; W103-N107 WeakPolarHBondContact CZ2-ND2 3.12Å; W103-N107 HydrophobicContact CZ3-CB 4.2Å; W103-N107 WeakPolarHBondContact O-CB 3.33Å; W103-N107 PolarHBondContact O-N 3.44Å; W103-S113 PolarHBondContact NE1-O 3.41Å; W103-V115 HydrophobicContact CB-CG2 3.79Å; W103-V115 HydrophobicContact CD2-CG2 4.39Å; W103-V115 HydrophobicContact CG-CG2 3.68Å |
| 104 | L | 77.8 | Confident | 67.7 | Low | 76 Ų | 76 | 66 Ų | 66 | 40% | 0.398 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.2 | -38.7 | 173.4 | -71.9 | 166.6 | 0 | 0 | 0 | 112 | D100 N107 S112 | D100-L104 WeakPolarHBondContact O-CD1 3.35Å; D100-L104 VanDerWaalsContact O-CG 3.22Å; D100-L104 WeakPolarHBondContact O-CG 3.34Å; D100-L104 PolarHBondContact O-N 3.27Å; L104-N107 CarbonylContact O-C 3.52Å; L104-N107 PolarHBondContact O-N 2.83Å; L104-S112 VanDerWaalsContact CD2-OG 3.25Å; L104-S112 WeakPolarHBondContact CD2-OG 3.38Å |
| 105 | S | 79.1 | Confident | 66.4 | Low | 53 Ų | 53 | 65.3 Ų | 65.3 | 37% | 0.371 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.6 | -32.7 | 177 | 84.4 | 0 | 0 | 0 | 0 | 113.4 | R21 G101 E102 W103 | R21-S105 PolarHBondContact NH1-OG 3.2Å; R21-S105 VanDerWaalsContact NH1-OG 3.12Å; G101-S105 PolarHBondContact O-N 3.24Å; G101-S105 VanDerWaalsContact O-N 3.12Å; E102-S105 WeakPolarHBondContact O-CB 3.32Å; E102-S105 PolarHBondContact O-N 3.04Å; E102-S105 VanDerWaalsContact O-N 3.14Å; E102-S105 PolarHBondContact O-OG 3.07Å; W103-S105 PolarHBondContact O-N 3.17Å |
| 106 | C | 76.5 | Confident | 64.8 | Low | 13 Ų | 13 | 63.4 Ų | 63.4 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -82.5 | -22.5 | 179.1 | -76.6 | 0 | 0 | 0 | 0 | 112.4 | R21 P39 E102 W103 | R21-C106 VanDerWaalsContact CB-SG 3.53Å; P39-C106 HydrophobicContact CB-CB 4.3Å; P39-C106 PolarHBondContact O-SG 2.77Å; E102-C106 PolarHBondContact O-N 2.93Å; W103-C106 HydrophobicContact CE3-CB 4.4Å; W103-C106 PolarHBondContact O-N 3Å; W103-C106 VanDerWaalsContact O-N 3.12Å |
| 107 | N | 69.7 | Low | 63.1 | Low | 14 Ų | 14 | 62.4 Ų | 62.4 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | trans | -128 | 84.1 | -169.5 | -156.6 | 24.8 | 0 | 0 | 0 | 109.4 | Q59 Q76 W103 L104 L109 | Q59-N107 PolarHBondContact NE2-OD1 3.39Å; Q76-N107 PolarHBondContact NE2-ND2 3.38Å; Q76-N107 PolarHBondContact NE2-OD1 3.02Å; W103-N107 HydrophobicContact CD2-CB 4Å; W103-N107 HydrophobicContact CE3-CB 4.11Å; W103-N107 HydrophobicContact CH2-CB 4.16Å; W103-N107 HydrophobicContact CZ2-CB 4.03Å; W103-N107 WeakPolarHBondContact CZ2-ND2 3.12Å; W103-N107 HydrophobicContact CZ3-CB 4.2Å; W103-N107 WeakPolarHBondContact O-CB 3.33Å; W103-N107 PolarHBondContact O-N 3.44Å; L104-N107 CarbonylContact O-C 3.52Å; L104-N107 PolarHBondContact O-N 2.83Å; N107-L109 WeakPolarHBondContact ND2-CD1 3.25Å; N107-L109 PolarHBondContact O-N 3.5Å; N107-L109 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 108 | Q | 58 | Low | 61.5 | Low | 185 Ų | 185 | 52.1 Ų | 52.1 | 86% | 0.864 | 30% | 0.299 | S | S | * | . | trans | -70.2 | 38.5 | 175.9 | -61.2 | -163.2 | -17.9 | 0 | 0 | 112.5 | ||||
| 109 | L | 52.7 | Low | 59.5 | Low | 65 Ų | 65 | 48.8 Ų | 48.8 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | trans | -68.7 | 139.9 | 172.5 | -65.7 | -179.9 | 0 | 0 | 0 | 108.4 | N107 F111 | N107-L109 WeakPolarHBondContact ND2-CD1 3.25Å; N107-L109 PolarHBondContact O-N 3.5Å; N107-L109 WeakPolarHBondContact OD1-CG 3.4Å; L109-F111 PolarHBondContact O-N 2.95Å | ||
| 110 | P | 43 | Very low | 57.6 | Low | 116 Ų | 116 | 50.1 Ų | 50.1 | 75% | 0.753 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -61.6 | -15.4 | 172.5 | 22.8 | -30.1 | 0 | 0 | 0 | 112.4 | ||
| 111 | F | 45.1 | Very low | 55.8 | Low | 134 Ų | 134 | 55.1 Ų | 55.1 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -112.8 | 105.8 | 177.1 | -60.4 | -78.9 | 0 | 0 | 0 | 109.3 | L109 S113 | L109-F111 PolarHBondContact O-N 2.95Å; F111-S113 VanDerWaalsContact C-N 3.27Å; F111-S113 PolarHBondContact O-N 3.22Å; F111-S113 PolarHBondContact O-OG 2.6Å |
| 112 | S | 43.4 | Very low | 53.9 | Low | 64 Ų | 64 | 58.1 Ų | 58.1 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | trans | -63.7 | 78.7 | 175 | 164.9 | 0 | 0 | 0 | 0 | 110.9 | L104 T114 | L104-S112 VanDerWaalsContact CD2-OG 3.25Å; L104-S112 WeakPolarHBondContact CD2-OG 3.38Å; S112-T114 VanDerWaalsContact C-N 3.28Å; S112-T114 PolarHBondContact O-N 3.43Å; S112-T114 PolarHBondContact OG-OG1 3.19Å | ||
| 113 | S | 47 | Very low | 51.6 | Low | 8 Ų | 8 | 64.6 Ų | 64.6 | 6% | 0.056 | 36% | 0.364 | C | S | . | . | trans | -74 | 88.2 | 163.2 | -7 | 0 | 0 | 0 | 0 | 108.2 | W103 F111 L133 | W103-S113 PolarHBondContact NE1-O 3.41Å; F111-S113 VanDerWaalsContact C-N 3.27Å; F111-S113 PolarHBondContact O-N 3.22Å; F111-S113 PolarHBondContact O-OG 2.6Å; S113-L133 WeakPolarHBondContact OG-CD2 3.22Å | ||
| 114 | T | 46.7 | Very low | 49.6 | Very low | 34 Ų | 34 | 69.2 Ų | 69.2 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | trans | -60.6 | 140.5 | 173 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | D100 S112 S116 S117 C118 | D100-T114 HydrophobicContact CB-CG2 3.61Å; D100-T114 WeakPolarHBondContact OD1-CG2 3.48Å; D100-T114 WeakPolarHBondContact OD2-CG2 3.34Å; S112-T114 VanDerWaalsContact C-N 3.28Å; S112-T114 PolarHBondContact O-N 3.43Å; S112-T114 PolarHBondContact OG-OG1 3.19Å; T114-S116 PolarHBondContact O-N 3.49Å; T114-S117 WeakPolarHBondContact O-CA 3.27Å; T114-S117 WeakPolarHBondContact O-CB 3.11Å; T114-S117 PolarHBondContact O-N 3.4Å; T114-C118 PolarHBondContact O-N 3.15Å | ||
| 115 | V | 48.8 | Very low | 47.7 | Very low | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.03 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66 | -31.7 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | L57 L99 D100 W103 S117 C118 C119 | L57-V115 HydrophobicContact CD2-CG2 3.45Å; L57-V115 VanDerWaalsContact CD2-CG2 3.45Å; L99-V115 HydrophobicContact CD1-CB 4.42Å; L99-V115 HydrophobicContact CD1-CG2 4Å; L99-V115 HydrophobicContact CD2-CB 3.76Å; L99-V115 HydrophobicContact CD2-CG1 3.57Å; L99-V115 HydrophobicContact CD2-CG2 4.26Å; L99-V115 HydrophobicContact CG-CB 3.82Å; L99-V115 HydrophobicContact CG-CG1 4.11Å; L99-V115 HydrophobicContact CG-CG2 3.84Å; D100-V115 PolarHBondContact OD1-N 2.97Å; D100-V115 VanDerWaalsContact OD1-N 3.16Å; W103-V115 HydrophobicContact CB-CG2 3.79Å; W103-V115 HydrophobicContact CD2-CG2 4.39Å; W103-V115 HydrophobicContact CG-CG2 3.68Å; V115-S117 VanDerWaalsContact C-N 3.26Å; V115-S117 PolarHBondContact O-N 2.85Å; V115-C118 WeakPolarHBondContact O-CA 3.17Å; V115-C118 WeakPolarHBondContact O-CB 3.41Å; V115-C118 PolarHBondContact O-N 2.63Å; V115-C119 PolarHBondContact O-N 2.9Å; V115-C119 VanDerWaalsContact O-N 3.12Å |
| 116 | S | 45.1 | Very low | 45.7 | Very low | 52 Ų | 52 | 78 Ų | 78 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.6 | -32.2 | 171.1 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | D100 T114 C118 C119 S120 | D100-S116 PolarHBondContact OD1-N 2.87Å; D100-S116 VanDerWaalsContact OD2-CB 3.23Å; D100-S116 WeakPolarHBondContact OD2-CB 3.45Å; T114-S116 PolarHBondContact O-N 3.49Å; S116-C118 PolarHBondContact O-N 3.03Å; S116-C119 PolarHBondContact O-N 3.49Å; S116-S120 WeakPolarHBondContact O-CB 3.23Å; S116-S120 PolarHBondContact O-N 3.1Å; S116-S120 PolarHBondContact O-OG 3.2Å |
| 117 | S | 44.3 | Very low | 43.8 | Very low | 24 Ų | 24 | 81.4 Ų | 81.4 | 17% | 0.168 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 170.5 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | T114 V115 L128 | T114-S117 WeakPolarHBondContact O-CA 3.27Å; T114-S117 WeakPolarHBondContact O-CB 3.11Å; T114-S117 PolarHBondContact O-N 3.4Å; V115-S117 VanDerWaalsContact C-N 3.26Å; V115-S117 PolarHBondContact O-N 2.85Å; S117-L128 VanDerWaalsContact O-CD2 3.27Å; S117-L128 WeakPolarHBondContact O-CD2 3.45Å; S117-L128 WeakPolarHBondContact OG-CD2 3.45Å; S117-L128 VanDerWaalsContact OG-CG 3.24Å; S117-L128 WeakPolarHBondContact OG-CG 3.23Å |
| 118 | C | 42.2 | Very low | 42.1 | Very low | 16 Ų | 16 | 82.1 Ų | 82.1 | 11% | 0.108 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71 | -37.2 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | T114 V115 S116 L136 | T114-C118 PolarHBondContact O-N 3.15Å; V115-C118 WeakPolarHBondContact O-CA 3.17Å; V115-C118 WeakPolarHBondContact O-CB 3.41Å; V115-C118 PolarHBondContact O-N 2.63Å; S116-C118 PolarHBondContact O-N 3.03Å; C118-L136 HydrophobicContact CB-CD2 3.73Å; C118-L136 HydrophobicContact CB-CG 3.75Å; C118-L136 WeakPolarHBondContact O-CD1 3.11Å; C118-L136 VanDerWaalsContact O-CG 3.24Å; C118-L136 WeakPolarHBondContact O-CG 3.19Å |
| 119 | C | 40.5 | Very low | 41 | Very low | 42 Ų | 42 | 76.3 Ų | 76.3 | 28% | 0.284 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -86.2 | -14 | -174.6 | -65.6 | 0 | 0 | 0 | 0 | 114.8 | I94 V115 S116 L121 | I94-C119 PolarHBondContact O-SG 3.04Å; I94-C119 VanDerWaalsContact O-SG 3.39Å; V115-C119 PolarHBondContact O-N 2.9Å; V115-C119 VanDerWaalsContact O-N 3.12Å; S116-C119 PolarHBondContact O-N 3.49Å; C119-L121 PolarHBondContact O-N 3.04Å |
| 120 | S | 38 | Very low | 40.1 | Very low | 28 Ų | 28 | 76.7 Ų | 76.7 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | trans | -90.6 | 82.4 | -171.1 | 43.6 | 0 | 0 | 0 | 0 | 112.9 | S116 S122 | S116-S120 WeakPolarHBondContact O-CB 3.23Å; S116-S120 PolarHBondContact O-N 3.1Å; S116-S120 PolarHBondContact O-OG 3.2Å; S120-S122 PolarHBondContact O-N 2.73Å; S120-S122 VanDerWaalsContact O-N 3.1Å | ||
| 121 | L | 36.1 | Very low | 39.8 | Very low | 158 Ų | 158 | 73.2 Ų | 73.2 | 83% | 0.827 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 0.2 | 163.6 | -73.7 | 170.6 | 0 | 0 | 0 | 113.7 | C119 | C119-L121 PolarHBondContact O-N 3.04Š|
| 122 | S | 36.5 | Very low | 39 | Very low | 112 Ų | 112 | 69.8 Ų | 69.8 | 78% | 0.783 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 3.3 | -171.5 | -55 | 0 | 0 | 0 | 0 | 115.4 | S120 | S120-S122 PolarHBondContact O-N 2.73Å; S120-S122 VanDerWaalsContact O-N 3.1Å |
| 123 | F | 34.9 | Very low | 38.6 | Very low | 153 Ų | 153 | 67.6 Ų | 67.6 | 67% | 0.671 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -106.6 | 142.2 | 172.9 | -73.4 | -71.9 | 0 | 0 | 0 | 111.6 | H125 | F123-H125 PolarHBondContact O-N 2.74Š|
| 124 | P | 36.1 | Very low | 38 | Very low | 102 Ų | 102 | 74 Ų | 74 | 66% | 0.662 | 43% | 0.43 | S | S | * | . | trans | -55.2 | 127.1 | 178.9 | 22 | -31.6 | 0 | 0 | 0 | 109.3 | W126 P127 | P124-W126 PolarHBondContact O-N 3.2Å; P124-P127 WeakPolarHBondContact O-CD 3.04Å | ||
| 125 | H | 38.8 | Very low | 37.6 | Very low | 129 Ų | 129 | 75.7 Ų | 75.7 | 60% | 0.597 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -62.5 | -7.5 | -159.2 | 102.4 | 94.4 | 0 | 0 | 0 | 116.4 | F123 C129 | F123-H125 PolarHBondContact O-N 2.74Å; H125-C129 PolarHBondContact CE1-SG 3.41Å; H125-C129 PolarHBondContact ND1-SG 3.39Å; H125-C129 PolarHBondContact O-N 2.99Å |
| 126 | W | 36.6 | Very low | 37.2 | Very low | 185 Ų | 185 | 76.8 Ų | 76.8 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.9 | -38.2 | -167.6 | -177.6 | -107.7 | 0 | 0 | 0 | 115.9 | P124 L128 A130 | P124-W126 PolarHBondContact O-N 3.2Å; W126-L128 VanDerWaalsContact C-N 3.25Å; W126-L128 PolarHBondContact O-N 2.99Å; W126-A130 PolarHBondContact O-N 3.38Å; W126-A130 VanDerWaalsContact O-N 3.14Å |
| 127 | P | 36 | Very low | 37.2 | Very low | 84 Ų | 84 | 77 Ų | 77 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.2 | -30.8 | 179.7 | -17.3 | 30.1 | 0 | 0 | 0 | 112.6 | P124 | P124-P127 WeakPolarHBondContact O-CD 3.04Å |
| 128 | L | 34.6 | Very low | 37.6 | Very low | 28 Ų | 28 | 76.2 Ų | 76.2 | 15% | 0.147 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -81.3 | -39.6 | -177.7 | -81.8 | 73.7 | 0 | 0 | 0 | 112 | S117 W126 A130 A131 G132 L133 T135 | S117-L128 VanDerWaalsContact O-CD2 3.27Å; S117-L128 WeakPolarHBondContact O-CD2 3.45Å; S117-L128 WeakPolarHBondContact OG-CD2 3.45Å; S117-L128 VanDerWaalsContact OG-CG 3.24Å; S117-L128 WeakPolarHBondContact OG-CG 3.23Å; W126-L128 VanDerWaalsContact C-N 3.25Å; W126-L128 PolarHBondContact O-N 2.99Å; L128-A130 VanDerWaalsContact C-N 3.28Å; L128-A130 PolarHBondContact O-N 3.05Å; L128-A131 PolarHBondContact O-N 3.32Å; L128-G132 PolarHBondContact O-N 3.16Å; L128-L133 PolarHBondContact O-N 2.89Å; L128-L133 VanDerWaalsContact O-N 3.15Å; L128-T135 HydrophobicContact CB-CG2 4.27Å; L128-T135 HydrophobicContact CD2-CG2 3.1Å; L128-T135 HydrophobicContact CG-CG2 4.31Å |
| 129 | C | 33.9 | Very low | 38.1 | Very low | 64 Ų | 64 | 81.6 Ų | 81.6 | 43% | 0.432 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.6 | -34.4 | 172.9 | -82.1 | 0 | 0 | 0 | 0 | 112.6 | H125 A131 G132 | H125-C129 PolarHBondContact CE1-SG 3.41Å; H125-C129 PolarHBondContact ND1-SG 3.39Å; H125-C129 PolarHBondContact O-N 2.99Å; C129-A131 PolarHBondContact O-N 2.93Å; C129-G132 PolarHBondContact O-N 2.68Å; C129-G132 VanDerWaalsContact O-N 3.09Å |
| 130 | A | 34.2 | Very low | 39 | Very low | 72 Ų | 72 | 80.4 Ų | 80.4 | 60% | 0.595 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.8 | -27.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W126 L128 G132 | W126-A130 PolarHBondContact O-N 3.38Å; W126-A130 VanDerWaalsContact O-N 3.14Å; L128-A130 VanDerWaalsContact C-N 3.28Å; L128-A130 PolarHBondContact O-N 3.05Å; A130-G132 VanDerWaalsContact C-N 3.32Å |
| 131 | A | 36.3 | Very low | 40.1 | Very low | 43 Ų | 43 | 81.2 Ų | 81.2 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 1.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L128 C129 L133 | L128-A131 PolarHBondContact O-N 3.32Å; C129-A131 PolarHBondContact O-N 2.93Å; A131-L133 HydrophobicContact CB-CB 4.29Å; A131-L133 HydrophobicContact CB-CD1 3.78Å; A131-L133 HydrophobicContact CB-CG 3.84Å; A131-L133 PolarHBondContact O-N 3.06Å; A131-L133 VanDerWaalsContact O-N 3.15Å |
| 132 | G | 29.9 | Very low | 41.4 | Very low | 62 Ų | 62 | 78 Ų | 78 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 9.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L128 C129 A130 K134 | L128-G132 PolarHBondContact O-N 3.16Å; C129-G132 PolarHBondContact O-N 2.68Å; C129-G132 VanDerWaalsContact O-N 3.09Å; A130-G132 VanDerWaalsContact C-N 3.32Å; G132-K134 PolarHBondContact O-N 3.2Å |
| 133 | L | 33.5 | Very low | 42.8 | Very low | 19 Ų | 19 | 73.8 Ų | 73.8 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | trans | -88.2 | 86.8 | -178.2 | -65.8 | 175.3 | 0 | 0 | 0 | 108.4 | S113 L128 A131 T135 | S113-L133 WeakPolarHBondContact OG-CD2 3.22Å; L128-L133 PolarHBondContact O-N 2.89Å; L128-L133 VanDerWaalsContact O-N 3.15Å; A131-L133 HydrophobicContact CB-CB 4.29Å; A131-L133 HydrophobicContact CB-CD1 3.78Å; A131-L133 HydrophobicContact CB-CG 3.84Å; A131-L133 PolarHBondContact O-N 3.06Å; A131-L133 VanDerWaalsContact O-N 3.15Å; L133-T135 PolarHBondContact O-N 3.48Å | ||
| 134 | K | 34.6 | Very low | 44.5 | Very low | 143 Ų | 143 | 71.7 Ų | 71.7 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | trans | -56.9 | 122.2 | 164.7 | -79 | -178 | 179.8 | -172.2 | 0 | 107.8 | G132 L136 N137 | G132-K134 PolarHBondContact O-N 3.2Å; K134-L136 PolarHBondContact O-N 2.85Å; K134-N137 HydrophobicContact CB-CB 3.57Å; K134-N137 HydrophobicContact CD-CB 4Å; K134-N137 VanDerWaalsContact CD-ND2 3.34Å; K134-N137 WeakPolarHBondContact CD-ND2 3Å; K134-N137 HydrophobicContact CG-CB 4.46Å; K134-N137 PolarHBondContact O-N 3.33Å | ||
| 135 | T | 38.7 | Very low | 46.3 | Very low | 69 Ų | 69 | 69.9 Ų | 69.9 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 26.1 | -165.9 | 15.4 | 0 | 0 | 0 | 0 | 118.8 | L128 L133 | L128-T135 HydrophobicContact CB-CG2 4.27Å; L128-T135 HydrophobicContact CD2-CG2 3.1Å; L128-T135 HydrophobicContact CG-CG2 4.31Å; L133-T135 PolarHBondContact O-N 3.48Å |
| 136 | L | 40.1 | Very low | 48.2 | Very low | 27 Ų | 27 | 70.3 Ų | 70.3 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 124.1 | 32.9 | -160.4 | -78.8 | 163.7 | 0 | 0 | 0 | 109.1 | C91 L92 C118 K134 N138 | C91-L136 HydrophobicContact CB-CB 4.43Å; C91-L136 HydrophobicContact CB-CD1 4.18Å; C91-L136 HydrophobicContact CB-CD2 4.35Å; L92-L136 WeakPolarHBondContact O-CD2 3.32Å; C118-L136 HydrophobicContact CB-CD2 3.73Å; C118-L136 HydrophobicContact CB-CG 3.75Å; C118-L136 WeakPolarHBondContact O-CD1 3.11Å; C118-L136 VanDerWaalsContact O-CG 3.24Å; C118-L136 WeakPolarHBondContact O-CG 3.19Å; K134-L136 PolarHBondContact O-N 2.85Å; L136-N138 PolarHBondContact O-N 2.86Å |
| 137 | N | 44.6 | Very low | 49.6 | Very low | 57 Ų | 57 | 62.4 Ų | 62.4 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | trans | -70.1 | 89.4 | 148.3 | -112.2 | 30.5 | 0 | 0 | 0 | 105 | K134 Y139 | K134-N137 HydrophobicContact CB-CB 3.57Å; K134-N137 HydrophobicContact CD-CB 4Å; K134-N137 VanDerWaalsContact CD-ND2 3.34Å; K134-N137 WeakPolarHBondContact CD-ND2 3Å; K134-N137 HydrophobicContact CG-CB 4.46Å; K134-N137 PolarHBondContact O-N 3.33Å; N137-Y139 PolarHBondContact O-N 3.12Å; N137-Y139 VanDerWaalsContact O-N 3.09Å | ||
| 138 | N | 53.7 | Low | 50.9 | Low | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.043 | 38% | 0.375 | C | S | . | . | trans | -41.2 | 119 | 138 | -77.1 | -16.4 | 0 | 0 | 0 | 106.4 | L73 Y74 L136 W140 | L73-N138 VanDerWaalsContact O-CG 3.23Å; L73-N138 PolarHBondContact O-ND2 2.86Å; L73-N138 PolarHBondContact O-OD1 2.84Å; L73-N138 VanDerWaalsContact O-OD1 3.06Å; Y74-N138 VanDerWaalsContact CA-OD1 3.29Å; Y74-N138 WeakPolarHBondContact CA-OD1 3.48Å; L136-N138 PolarHBondContact O-N 2.86Å; N138-W140 HydrophobicContact CB-CD2 3.86Å; N138-W140 VanDerWaalsContact CB-CE2 3.47Å; N138-W140 HydrophobicContact CB-CE3 4.47Å; N138-W140 HydrophobicContact CB-CG 4.14Å; N138-W140 HydrophobicContact CB-CH2 4.34Å; N138-W140 HydrophobicContact CB-CZ2 3.79Å; N138-W140 WeakPolarHBondContact ND2-CZ2 3.46Å; N138-W140 PolarHBondContact O-N 3.07Å | ||
| 139 | Y | 52.2 | Low | 52.2 | Low | 129 Ų | 129 | 65.8 Ų | 65.8 | 51% | 0.506 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -65.6 | 6.2 | -174.1 | -74 | -87.9 | 0 | 0 | 0 | 112.7 | N137 | N137-Y139 PolarHBondContact O-N 3.12Å; N137-Y139 VanDerWaalsContact O-N 3.09Å |
| 140 | W | 59.4 | Low | 53.2 | Low | 17 Ų | 17 | 72.2 Ų | 72.2 | 6% | 0.064 | 41% | 0.409 | C | S | . | . | trans | -109.4 | 125.3 | 177 | 51.1 | -97.9 | 0 | 0 | 0 | 110.8 | L73 C75 P79 F89 N138 F156 | L73-W140 HydrophobicContact CB-CZ2 3.93Å; L73-W140 HydrophobicContact CD2-CZ2 3.88Å; L73-W140 HydrophobicContact CG-CZ2 4.02Å; C75-W140 PolarHBondContact SG-NE1 2.92Å; P79-W140 HydrophobicContact CG-CD2 4.28Å; P79-W140 HydrophobicContact CG-CG 4.33Å; F89-W140 HydrophobicContact CB-CH2 3.75Å; F89-W140 HydrophobicContact CB-CZ3 4.2Å; F89-W140 HydrophobicContact CD1-CH2 4.44Å; F89-W140 HydrophobicContact CG-CH2 4.26Å; N138-W140 HydrophobicContact CB-CD2 3.86Å; N138-W140 VanDerWaalsContact CB-CE2 3.47Å; N138-W140 HydrophobicContact CB-CE3 4.47Å; N138-W140 HydrophobicContact CB-CG 4.14Å; N138-W140 HydrophobicContact CB-CH2 4.34Å; N138-W140 HydrophobicContact CB-CZ2 3.79Å; N138-W140 WeakPolarHBondContact ND2-CZ2 3.46Å; N138-W140 PolarHBondContact O-N 3.07Å; W140-F156 AromaticContact CE3-CD1 3.96Å; W140-F156 HydrophobicContact CE3-CD1 3.96Å; W140-F156 AromaticContact CE3-CE1 3.7Å; W140-F156 HydrophobicContact CE3-CE1 3.7Å; W140-F156 HydrophobicContact CH2-CD1 4.17Å; W140-F156 HydrophobicContact CH2-CE1 4.35Å; W140-F156 AromaticContact CZ3-CD1 3.32Å; W140-F156 HydrophobicContact CZ3-CD1 3.32Å; W140-F156 AromaticContact CZ3-CE1 3.47Å; W140-F156 HydrophobicContact CZ3-CE1 3.47Å; W140-F156 VanDerWaalsContact CZ3-CE1 3.47Å | ||
| 141 | A | 61.1 | Low | 54.2 | Low | 45 Ų | 45 | 71.6 Ų | 71.6 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -96.7 | -7.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 142 | H | 64.1 | Low | 55.1 | Low | 91 Ų | 91 | 75.5 Ų | 75.5 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -145.3 | 152.9 | -173.5 | -51.9 | -83.9 | 0 | 0 | 0 | 110.3 | R163 | H142-R163 PolarHBondContact CE1-O 3.09Š|
| 143 | A | 65.9 | Low | 56.6 | Low | 22 Ų | 22 | 73 Ų | 73 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | trans | -101.5 | 145.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P79 L81 D145 F156 | P79-A143 HydrophobicContact CG-CB 3.96Å; P79-A143 WeakPolarHBondContact O-CA 2.95Å; L81-A143 HydrophobicContact CD1-CB 3.72Å; A143-D145 PolarHBondContact O-N 3.17Å; A143-F156 HydrophobicContact CB-CE1 4.44Å; A143-F156 HydrophobicContact CB-CZ 3.62Å | ||
| 144 | H | 70.3 | Confident | 57.9 | Low | 110 Ų | 110 | 72.7 Ų | 72.7 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 105.3 | 164.6 | -67.8 | -65.2 | 0 | 0 | 0 | 108.3 | P79 S80 L81 F146 | P79-H144 PolarHBondContact O-N 3.43Å; S80-H144 CarbonylContact C-O 3.52Å; S80-H144 WeakPolarHBondContact CA-O 3Å; L81-H144 PolarHBondContact N-O 3.12Å; H144-F146 HydrophobicContact CB-CE2 3.72Å; H144-F146 HydrophobicContact CB-CZ 4.13Å |
| 145 | D | 74.8 | Confident | 59.3 | Low | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.342 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.7 | 177.6 | -174.2 | 18.8 | 0 | 0 | 0 | 111 | A143 S147 T153 | A143-D145 PolarHBondContact O-N 3.17Å; D145-S147 WeakPolarHBondContact OD1-CB 3.24Å; D145-S147 PolarHBondContact OD1-N 2.67Å; D145-S147 PolarHBondContact OD1-OG 3.33Å; D145-T153 VanDerWaalsContact OD2-CB 3.27Å; D145-T153 WeakPolarHBondContact OD2-CB 3.13Å; D145-T153 WeakPolarHBondContact OD2-CG2 3.2Å; D145-T153 PolarHBondContact OD2-OG1 3.15Å |
| 146 | F | 77.3 | Confident | 60.4 | Low | 138 Ų | 138 | 67.9 Ų | 67.9 | 61% | 0.605 | 36% | 0.364 | S | S | * | . | trans | -108.6 | 12.8 | 177.6 | -59.2 | -83.3 | 0 | 0 | 0 | 111.5 | L81 E82 H144 | L81-F146 WeakPolarHBondContact O-CD2 3.22Å; L81-F146 PolarHBondContact O-N 2.97Å; E82-F146 HydrophobicContact CB-CB 4.32Å; E82-F146 HydrophobicContact CG-CB 4.28Å; H144-F146 HydrophobicContact CB-CE2 3.72Å; H144-F146 HydrophobicContact CB-CZ 4.13Å | ||
| 147 | S | 66.4 | Low | 61.3 | Low | 18 Ų | 18 | 71.9 Ų | 71.9 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | trans | -73.5 | 132.9 | 177.6 | -51.4 | 0 | 0 | 0 | 0 | 110.4 | S83 S84 D145 D149 | S83-S147 PolarHBondContact N-OG 3.12Å; S84-S147 PolarHBondContact N-OG 3.14Å; S84-S147 VanDerWaalsContact N-OG 3.11Å; S84-S147 PolarHBondContact O-OG 2.99Å; D145-S147 WeakPolarHBondContact OD1-CB 3.24Å; D145-S147 PolarHBondContact OD1-N 2.67Å; D145-S147 PolarHBondContact OD1-OG 3.33Å; S147-D149 PolarHBondContact O-N 3.1Å | ||
| 148 | A | 64.1 | Low | 61.6 | Low | 115 Ų | 115 | 70.4 Ų | 70.4 | 95% | 0.95 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -69.7 | -2.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 149 | D | 60.9 | Low | 61.1 | Low | 68 Ų | 68 | 75.7 Ų | 75.7 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | trans | -115.8 | 131.9 | -171.2 | -170.6 | 1.1 | 0 | 0 | 0 | 110.1 | R85 S147 S151 | R85-D149 IonicContact CZ-OD2 3.3Å; R85-D149 VanDerWaalsContact CZ-OD2 3.3Å; R85-D149 IonicContact NE-OD2 3.09Å; R85-D149 PolarHBondContact NE-OD2 2.87Å; R85-D149 VanDerWaalsContact NE-OD2 3.09Å; R85-D149 IonicContact NH2-OD2 2.71Å; R85-D149 PolarHBondContact NH2-OD2 3.22Å; S147-D149 PolarHBondContact O-N 3.1Å; D149-S151 VanDerWaalsContact C-N 3.27Å; D149-S151 PolarHBondContact O-N 3.3Å | ||
| 150 | E | 54.5 | Low | 60.5 | Low | 199 Ų | 199 | 73 Ų | 73 | 93% | 0.93 | 42% | 0.416 | S | S | * | . | trans | -77.5 | -6.1 | -173.6 | -66.7 | -171 | 168.5 | 0 | 0 | 114 | L152 | E150-L152 PolarHBondContact O-N 3.3Š| ||
| 151 | S | 56.4 | Low | 59.1 | Low | 59 Ų | 59 | 79.7 Ų | 79.7 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -59.4 | 132.2 | 171.9 | 69.6 | 0 | 0 | 0 | 0 | 109.9 | D149 T153 | D149-S151 VanDerWaalsContact C-N 3.27Å; D149-S151 PolarHBondContact O-N 3.3Å; S151-T153 VanDerWaalsContact O-CG2 3.27Å; S151-T153 WeakPolarHBondContact O-CG2 3Å; S151-T153 PolarHBondContact O-N 3.19Å |
| 152 | L | 53.9 | Low | 57.7 | Low | 126 Ų | 126 | 79.9 Ų | 79.9 | 66% | 0.66 | 44% | 0.444 | S | S | * | . | trans | -45.8 | 104.3 | 177.5 | -75.5 | 164 | 0 | 0 | 0 | 110.9 | E150 | E150-L152 PolarHBondContact O-N 3.3Š| ||
| 153 | T | 63 | Low | 55.8 | Low | 8 Ų | 8 | 84.6 Ų | 84.6 | 5% | 0.049 | 46% | 0.458 | C | S | . | . | trans | -80.5 | -35.9 | -174.8 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | S86 I87 D145 S151 | S86-T153 PolarHBondContact N-O 3.41Å; I87-T153 PolarHBondContact N-O 3.48Å; D145-T153 VanDerWaalsContact OD2-CB 3.27Å; D145-T153 WeakPolarHBondContact OD2-CB 3.13Å; D145-T153 WeakPolarHBondContact OD2-CG2 3.2Å; D145-T153 PolarHBondContact OD2-OG1 3.15Å; S151-T153 VanDerWaalsContact O-CG2 3.27Å; S151-T153 WeakPolarHBondContact O-CG2 3Å; S151-T153 PolarHBondContact O-N 3.19Å | ||
| 154 | A | 59.5 | Low | 53.8 | Low | 13 Ų | 13 | 90.5 Ų | 90.5 | 11% | 0.107 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L81 I87 F89 F156 | L81-A154 HydrophobicContact CD2-CB 3.71Å; I87-A154 CarbonylContact O-C 3.6Å; I87-A154 VanDerWaalsContact O-CA 3.24Å; I87-A154 WeakPolarHBondContact O-CA 3.28Å; F89-A154 HydrophobicContact CD2-CB 4.18Å; F89-A154 HydrophobicContact CE2-CB 4.04Å; A154-F156 HydrophobicContact CB-CE2 4.17Å; A154-F156 HydrophobicContact CB-CZ 4.23Å |
| 155 | N | 65.4 | Low | 52 | Low | 67 Ų | 67 | 92.8 Ų | 92.8 | 36% | 0.358 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.9 | 168.2 | -70.6 | -31.1 | 0 | 0 | 0 | 109.3 | I87 E88 F89 | I87-N155 PolarHBondContact O-N 3.2Å; E88-N155 CarbonylContact C-O 3.57Å; E88-N155 WeakPolarHBondContact CA-O 3.17Å; E88-N155 HydrophobicContact CG-CB 4.44Å; F89-N155 PolarHBondContact N-O 3.15Å |
| 156 | F | 61.5 | Low | 50.8 | Low | 45 Ų | 45 | 94.3 Ų | 94.3 | 20% | 0.197 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 111.4 | 175 | -61.9 | -79.9 | 0 | 0 | 0 | 108.9 | F89 W140 A143 A154 V162 | F89-F156 HydrophobicContact CB-CD1 3.63Å; F89-F156 HydrophobicContact CB-CE1 3.97Å; F89-F156 AromaticContact CD2-CD1 3.89Å; F89-F156 HydrophobicContact CD2-CD1 3.89Å; F89-F156 AromaticContact CD2-CE1 3.42Å; F89-F156 HydrophobicContact CD2-CE1 3.42Å; F89-F156 VanDerWaalsContact CD2-CE1 3.42Å; F89-F156 HydrophobicContact CD2-CZ 4.03Å; F89-F156 HydrophobicContact CE2-CE1 4.16Å; F89-F156 HydrophobicContact CE2-CZ 4.47Å; F89-F156 HydrophobicContact CG-CD1 4.11Å; F89-F156 AromaticContact CG-CE1 3.92Å; F89-F156 HydrophobicContact CG-CE1 3.92Å; W140-F156 AromaticContact CE3-CD1 3.96Å; W140-F156 HydrophobicContact CE3-CD1 3.96Å; W140-F156 AromaticContact CE3-CE1 3.7Å; W140-F156 HydrophobicContact CE3-CE1 3.7Å; W140-F156 HydrophobicContact CH2-CD1 4.17Å; W140-F156 HydrophobicContact CH2-CE1 4.35Å; W140-F156 AromaticContact CZ3-CD1 3.32Å; W140-F156 HydrophobicContact CZ3-CD1 3.32Å; W140-F156 AromaticContact CZ3-CE1 3.47Å; W140-F156 HydrophobicContact CZ3-CE1 3.47Å; W140-F156 VanDerWaalsContact CZ3-CE1 3.47Å; A143-F156 HydrophobicContact CB-CE1 4.44Å; A143-F156 HydrophobicContact CB-CZ 3.62Å; A154-F156 HydrophobicContact CB-CE2 4.17Å; A154-F156 HydrophobicContact CB-CZ 4.23Å; F156-V162 HydrophobicContact CB-CB 4.44Å; F156-V162 HydrophobicContact CB-CG1 4.25Å; F156-V162 HydrophobicContact CB-CG2 3.6Å; F156-V162 HydrophobicContact CD2-CG1 4.17Å; F156-V162 HydrophobicContact CG-CG1 4.46Å; F156-V162 HydrophobicContact CG-CG2 4.32Å |
| 157 | L | 58.1 | Low | 49.4 | Very low | 111 Ų | 111 | 91.9 Ų | 91.9 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | trans | -95.3 | 3.1 | -177.9 | -63.7 | 175.4 | 0 | 0 | 0 | 112.6 | F89 T90 S159 | F89-L157 PolarHBondContact O-N 3.4Å; T90-L157 HydrophobicContact CG2-CB 4.14Å; T90-L157 HydrophobicContact CG2-CD1 4.45Å; L157-S159 PolarHBondContact O-N 3.01Å | ||
| 158 | C | 51.1 | Low | 48.5 | Very low | 26 Ų | 26 | 96.1 Ų | 96.1 | 18% | 0.176 | 55% | 0.552 | C | S | . | * | trans | -77.8 | 125.2 | 178.2 | -160.3 | 0 | 0 | 0 | 0 | 110.4 | C91 C160 | C91-C158 HydrophobicContact CB-CB 4.21Å; C91-C158 WeakPolarHBondContact CB-SG 3.25Å; C91-C158 WeakPolarHBondContact SG-CB 3.35Å; C91-C158 CovalentContact SG-SG 2.06Å; C91-C158 PolarHBondContact SG-SG 2.85Å; C158-C160 PolarHBondContact O-N 3.44Å | ||
| 159 | S | 42.9 | Very low | 47.6 | Very low | 119 Ų | 119 | 94.9 Ų | 94.9 | 83% | 0.832 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -67.3 | -0.4 | -174.7 | 55.5 | 0 | 0 | 0 | 0 | 115 | L157 E161 | L157-S159 PolarHBondContact O-N 3.01Å; S159-E161 VanDerWaalsContact C-N 3.32Å; S159-E161 PolarHBondContact O-N 2.78Å; S159-E161 VanDerWaalsContact O-N 3.07Å |
| 160 | C | 39.3 | Very low | 46.8 | Very low | 72 Ų | 72 | 96.6 Ų | 96.6 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -82.9 | 77.5 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | C158 V162 | C158-C160 PolarHBondContact O-N 3.44Å; C160-V162 PolarHBondContact O-N 3.49Å |
| 161 | E | 31.5 | Very low | 46.2 | Very low | 157 Ų | 157 | 89.8 Ų | 89.8 | 73% | 0.734 | 51% | 0.512 | S | S | * | . | trans | 33.6 | 70.6 | 164.7 | -67.9 | -173.6 | 155.4 | 0 | 0 | 116.3 | S159 R163 | S159-E161 VanDerWaalsContact C-N 3.32Å; S159-E161 PolarHBondContact O-N 2.78Å; S159-E161 VanDerWaalsContact O-N 3.07Å; E161-R163 PolarHBondContact O-N 3.34Å; E161-R163 VanDerWaalsContact O-N 3.11Å | ||
| 162 | V | 30.2 | Very low | 45.5 | Very low | 50 Ų | 50 | 92 Ų | 92 | 30% | 0.303 | 52% | 0.52 | S | S | . | . | trans | -72.8 | 102.7 | 164.5 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | F156 C160 L164 | F156-V162 HydrophobicContact CB-CB 4.44Å; F156-V162 HydrophobicContact CB-CG1 4.25Å; F156-V162 HydrophobicContact CB-CG2 3.6Å; F156-V162 HydrophobicContact CD2-CG1 4.17Å; F156-V162 HydrophobicContact CG-CG1 4.46Å; F156-V162 HydrophobicContact CG-CG2 4.32Å; C160-V162 PolarHBondContact O-N 3.49Å; V162-L164 PolarHBondContact O-N 3.14Å | ||
| 163 | R | 25.8 | Very low | 44.9 | Very low | 190 Ų | 190 | 89.4 Ų | 89.4 | 72% | 0.717 | 51% | 0.509 | S | S | * | . | trans | -78.6 | 111.3 | 165.9 | -67 | -171.5 | -174.1 | -165.7 | 1.1 | 107 | H142 E161 A165 | H142-R163 PolarHBondContact CE1-O 3.09Å; E161-R163 PolarHBondContact O-N 3.34Å; E161-R163 VanDerWaalsContact O-N 3.11Å; R163-A165 PolarHBondContact O-N 3.06Å | ||
| 164 | L | 23.2 | Very low | 43.4 | Very low | 145 Ų | 145 | 96.2 Ų | 96.2 | 76% | 0.759 | 55% | 0.547 | S | S | * | . | trans | -65.4 | 123.9 | 164.9 | -71.8 | 156 | 0 | 0 | 0 | 107.2 | V162 | V162-L164 PolarHBondContact O-N 3.14Š| ||
| 165 | A | 31.7 | Very low | 41.9 | Very low | 159 Ų | 159 | 103.7 Ų | 103.7 | 100% | 1.314 | 59% | 0.587 | S | S | * | * | trans | -87.4 | 0 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R163 | R163-A165 PolarHBondContact O-N 3.06Š|
Retrieved 165 of 165 residues in 351 ms
(Link to these results)