| 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 | 48.2 | Very low | 79.8 | Confident | 221 Ų | 221 | 77 Ų | 77 | 100% | 1.089 | 40% | 0.404 | S | S | * | . | 0 | 138.4 | 0 | -74.2 | -170.1 | -95.3 | 0 | 0 | 108.8 | G3 | M1-G3 PolarHBondContact O-N 3.48Š| |||
| 2 | A | 55 | Low | 81.1 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 70% | 0.702 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 128 | 173 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 3 | G | 66.6 | Low | 82.1 | Confident | 23 Ų | 23 | 75 Ų | 75 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 148.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 | M1-G3 PolarHBondContact O-N 3.48Š|
| 4 | I | 76.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 142.7 | 177.9 | -64.5 | -157.2 | 0 | 0 | 0 | 110.4 | L44 R46 P48 E52 L118 H121 | I4-L44 HydrophobicContact CG2-CB 4.16Å; I4-L44 HydrophobicContact CG2-CD1 4.46Å; I4-L44 HydrophobicContact CG2-CD2 4.11Å; I4-L44 HydrophobicContact CG2-CG 4.47Å; I4-R46 HydrophobicContact CD1-CG 3.7Å; I4-R46 HydrophobicContact CG1-CG 3.59Å; I4-P48 VanDerWaalsContact CD1-CA 3.46Å; I4-P48 HydrophobicContact CD1-CB 3.98Å; I4-E52 WeakPolarHBondContact CD1-OE2 3.46Å; I4-L118 HydrophobicContact CB-CD1 3.74Å; I4-L118 HydrophobicContact CB-CD2 4.36Å; I4-L118 HydrophobicContact CG2-CD1 3.88Å; I4-L118 HydrophobicContact CG2-CD2 4.39Å; I4-L118 WeakPolarHBondContact O-CD1 3.16Å; I4-H121 PolarHBondContact O-NE2 2.91Å |
| 5 | R | 81.1 | Confident | 83.7 | Confident | 156 Ų | 156 | 81.7 Ų | 81.7 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | trans | -133.5 | 137.5 | 171.9 | -59.4 | -179.7 | -175 | -174 | -0.6 | 108.2 | L44 S45 | R5-L44 CarbonylContact O-C 3.58Å; R5-L44 WeakPolarHBondContact O-CA 3.36Å; R5-S45 PolarHBondContact N-OG 3.08Å; R5-S45 PolarHBondContact O-N 2.78Å | ||
| 6 | V | 86.2 | Confident | 84.6 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 135.5 | 163.7 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | K8 V9 L42 E43 L44 I116 R127 L129 | V6-K8 WeakPolarHBondContact CG1-O 3.45Å; V6-V9 HydrophobicContact CG1-CG2 3.91Å; V6-L42 HydrophobicContact CG1-CD2 4.15Å; V6-E43 CarbonylContact C-O 3.58Å; V6-E43 VanDerWaalsContact CA-O 3.3Å; V6-E43 WeakPolarHBondContact CA-O 3.43Å; V6-L44 HydrophobicContact CB-CD2 4.48Å; V6-L44 HydrophobicContact CG2-CD2 3.88Å; V6-I116 HydrophobicContact CG2-CD1 4.44Å; V6-I116 HydrophobicContact CG2-CG2 4.05Å; V6-R127 PolarHBondContact O-NH1 2.82Å; V6-R127 PolarHBondContact O-NH2 3.16Å; V6-L129 HydrophobicContact CB-CD2 4.43Å; V6-L129 HydrophobicContact CG1-CD2 4.16Å; V6-L129 HydrophobicContact CG2-CD2 4.32Å |
| 7 | T | 88 | Confident | 85.3 | Confident | 74 Ų | 74 | 72.6 Ų | 72.6 | 45% | 0.454 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -41.4 | 174.2 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | E43 | T7-E43 PolarHBondContact N-O 3.46Å; T7-E43 WeakPolarHBondContact OG1-CB 3.41Å; T7-E43 WeakPolarHBondContact OG1-CG 3.45Å; T7-E43 PolarHBondContact OG1-O 3.19Å |
| 8 | K | 91.6 | Very high | 85.9 | Confident | 133 Ų | 133 | 71.8 Ų | 71.8 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.5 | -177.6 | -168.6 | -179.9 | 176 | -172.9 | 0 | 110.9 | V6 E43 | V6-K8 WeakPolarHBondContact CG1-O 3.45Å; K8-E43 HydrophobicContact CB-CB 3.85Å; K8-E43 WeakPolarHBondContact CB-OE2 3.39Å; K8-E43 WeakPolarHBondContact CD-OE2 3.4Å; K8-E43 PolarHBondContact O-N 3.38Å |
| 9 | V | 94.1 | Very high | 86.5 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.1 | 173.5 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | V6 W11 L42 L129 | V6-V9 HydrophobicContact CG1-CG2 3.91Å; V9-W11 HydrophobicContact CG1-CD2 4.23Å; V9-W11 HydrophobicContact CG1-CG 4.41Å; V9-W11 HydrophobicContact CG1-CZ2 4.26Å; V9-L42 HydrophobicContact CG1-CD2 4.17Å; V9-L42 HydrophobicContact CG2-CD2 3.99Å; V9-L129 HydrophobicContact CG2-CB 4.13Å; V9-L129 HydrophobicContact CG2-CD2 3.72Å; V9-L129 HydrophobicContact CG2-CG 4.38Å |
| 10 | D | 95.3 | Very high | 87.1 | Confident | 85 Ų | 85 | 67 Ų | 67 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.8 | 165.1 | -179.4 | 3.3 | 0 | 0 | 0 | 109 | Q12 T41 | D10-Q12 PolarHBondContact O-N 3.42Å; D10-Q12 PolarHBondContact OD1-N 2.84Å; D10-T41 PolarHBondContact N-O 3.47Å; D10-T41 PolarHBondContact O-N 3.06Å |
| 11 | W | 95.3 | Very high | 87.6 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | trans | -82.2 | 2.5 | -178 | -67.1 | 94.8 | 0 | 0 | 0 | 113.4 | V9 R13 N16 L30 L114 L129 F132 | V9-W11 HydrophobicContact CG1-CD2 4.23Å; V9-W11 HydrophobicContact CG1-CG 4.41Å; V9-W11 HydrophobicContact CG1-CZ2 4.26Å; W11-R13 HydrophobicContact CB-CG 3.8Å; W11-R13 PolarHBondContact O-N 3.43Å; W11-R13 VanDerWaalsContact O-N 3.08Å; W11-N16 PolarHBondContact O-ND2 3.29Å; W11-L30 HydrophobicContact CB-CB 4.39Å; W11-L30 HydrophobicContact CB-CD2 4.48Å; W11-L30 HydrophobicContact CE3-CB 4.36Å; W11-L30 HydrophobicContact CE3-CD2 3.73Å; W11-L30 HydrophobicContact CZ3-CD2 4.4Å; W11-L114 HydrophobicContact CH2-CB 3.88Å; W11-L114 HydrophobicContact CH2-CD2 3.57Å; W11-L114 HydrophobicContact CH2-CG 4.36Å; W11-L114 HydrophobicContact CZ3-CD2 3.8Å; W11-L129 HydrophobicContact CZ2-CB 4.36Å; W11-F132 HydrophobicContact CH2-CD1 4.34Å; W11-F132 HydrophobicContact CZ3-CB 4.41Å; W11-F132 HydrophobicContact CZ3-CD1 4.2Å | ||
| 12 | Q | 95.2 | Very high | 89.9 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | trans | 46 | 43.5 | -178.9 | -59.1 | -169.6 | 30.6 | 0 | 0 | 112.6 | D10 S14 R15 N16 T41 | D10-Q12 PolarHBondContact O-N 3.42Å; D10-Q12 PolarHBondContact OD1-N 2.84Å; Q12-S14 VanDerWaalsContact C-N 3.35Å; Q12-S14 PolarHBondContact O-N 3.1Å; Q12-R15 HydrophobicContact CB-CB 4.42Å; Q12-R15 PolarHBondContact O-N 3.34Å; Q12-R15 VanDerWaalsContact OE1-CD 3.3Å; Q12-N16 PolarHBondContact O-N 2.9Å; Q12-T41 PolarHBondContact NE2-OG1 2.83Å | ||
| 13 | R | 94.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.8 | -44.3 | -163.2 | -64.7 | -173.6 | 63.1 | -134.4 | -16 | 113.5 | W11 G17 C27 P28 E29 | W11-R13 HydrophobicContact CB-CG 3.8Å; W11-R13 PolarHBondContact O-N 3.43Å; W11-R13 VanDerWaalsContact O-N 3.08Å; R13-G17 WeakPolarHBondContact O-CA 3.38Å; R13-G17 PolarHBondContact O-N 3.15Å; R13-C27 PolarHBondContact NH1-O 3Å; R13-C27 PolarHBondContact NH2-O 3.49Å; R13-P28 PolarHBondContact NE-O 3.07Å; R13-P28 VanDerWaalsContact NE-O 3.13Å; R13-P28 VanDerWaalsContact NH1-C 3.28Å; R13-P28 PolarHBondContact NH1-O 2.83Å; R13-E29 VanDerWaalsContact CZ-O 3.3Å; R13-E29 PolarHBondContact NE-O 2.67Å; R13-E29 PolarHBondContact NH2-O 2.81Å |
| 14 | S | 93 | Very high | 93 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 74% | 0.741 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 180 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | Q12 A18 | Q12-S14 VanDerWaalsContact C-N 3.35Å; Q12-S14 PolarHBondContact O-N 3.1Å; S14-A18 WeakPolarHBondContact O-CB 3.48Å; S14-A18 PolarHBondContact O-N 3.11Å; S14-A18 VanDerWaalsContact O-N 3.08Å |
| 15 | R | 95.6 | Very high | 93.8 | Very high | 144 Ų | 144 | 59.4 Ų | 59.4 | 54% | 0.543 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -50.6 | 179.7 | -178 | -173.3 | 175.4 | -161.2 | -4.5 | 110.8 | Q12 A18 A19 | Q12-R15 HydrophobicContact CB-CB 4.42Å; Q12-R15 PolarHBondContact O-N 3.34Å; Q12-R15 VanDerWaalsContact OE1-CD 3.3Å; R15-A18 PolarHBondContact O-N 3.18Å; R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 3.05Å |
| 16 | N | 97.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 178.9 | -69.7 | -32.6 | 0 | 0 | 0 | 110.9 | W11 Q12 A18 A19 H20 L30 V32 F38 S39 | W11-N16 PolarHBondContact O-ND2 3.29Å; Q12-N16 PolarHBondContact O-N 2.9Å; N16-A18 VanDerWaalsContact C-N 3.34Å; N16-A18 PolarHBondContact O-N 2.71Å; N16-A19 PolarHBondContact O-N 2.8Å; N16-H20 WeakPolarHBondContact O-CB 3.41Å; N16-H20 PolarHBondContact O-CD2 2.85Å; N16-H20 PolarHBondContact O-N 2.96Å; N16-L30 HydrophobicContact CB-CD1 3.69Å; N16-V32 HydrophobicContact CB-CG1 4.42Å; N16-F38 HydrophobicContact CB-CB 4.42Å; N16-S39 PolarHBondContact ND2-O 3.19Å; N16-S39 PolarHBondContact OD1-N 2.78Å; N16-S39 VanDerWaalsContact OD1-N 3.08Å |
| 17 | G | 96.4 | Very high | 94 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58 | -44.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R13 H21 T22 Q23 | R13-G17 WeakPolarHBondContact O-CA 3.38Å; R13-G17 PolarHBondContact O-N 3.15Å; G17-H21 PolarHBondContact O-N 2.78Å; G17-H21 VanDerWaalsContact O-N 3.13Å; G17-T22 WeakPolarHBondContact CA-OG1 3.47Å; G17-T22 PolarHBondContact O-N 3.46Å; G17-T22 PolarHBondContact O-OG1 2.82Å; G17-Q23 PolarHBondContact O-N 2.91Å; G17-Q23 PolarHBondContact O-OE1 3.33Å; G17-Q23 VanDerWaalsContact O-OE1 3.1Å |
| 18 | A | 96.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S14 R15 N16 H20 H21 | S14-A18 WeakPolarHBondContact O-CB 3.48Å; S14-A18 PolarHBondContact O-N 3.11Å; S14-A18 VanDerWaalsContact O-N 3.08Å; R15-A18 PolarHBondContact O-N 3.18Å; N16-A18 VanDerWaalsContact C-N 3.34Å; N16-A18 PolarHBondContact O-N 2.71Å; A18-H20 VanDerWaalsContact C-N 3.33Å; A18-H20 PolarHBondContact O-N 3.02Å; A18-H21 PolarHBondContact O-N 2.8Å |
| 19 | A | 97.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.7 | -31.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R15 N16 Q36 | R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 3.05Å; N16-A19 PolarHBondContact O-N 2.8Å; A19-Q36 PolarHBondContact O-NE2 3.08Å |
| 20 | H | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 3.2 | -178.9 | -75.3 | -96.3 | 0 | 0 | 0 | 113.8 | N16 A18 T22 R33 Q36 S37 | N16-H20 WeakPolarHBondContact O-CB 3.41Å; N16-H20 PolarHBondContact O-CD2 2.85Å; N16-H20 PolarHBondContact O-N 2.96Å; A18-H20 VanDerWaalsContact C-N 3.33Å; A18-H20 PolarHBondContact O-N 3.02Å; H20-T22 VanDerWaalsContact C-N 3.34Å; H20-T22 HydrophobicContact CB-CG2 4.29Å; H20-T22 PolarHBondContact O-N 3.23Å; H20-R33 HydrophobicContact CB-CG 4.5Å; H20-R33 PolarHBondContact ND1-N 2.88Å; H20-R33 VanDerWaalsContact ND1-N 3.12Å; H20-R33 WeakPolarHBondContact O-CD 3.22Å; H20-R33 PolarHBondContact O-NE 3.31Å; H20-Q36 VanDerWaalsContact CE1-CG 3.47Å; H20-Q36 WeakPolarHBondContact CE1-CG 3.3Å; H20-Q36 PolarHBondContact ND1-OE1 3.41Å; H20-S37 PolarHBondContact NE2-O 2.85Å; H20-S37 VanDerWaalsContact NE2-O 3.07Å |
| 21 | H | 97.7 | Very high | 94.1 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 48.2 | -176.6 | -48.7 | -86 | 0 | 0 | 0 | 112.1 | G17 A18 R33 W139 L158 | G17-H21 PolarHBondContact O-N 2.78Å; G17-H21 VanDerWaalsContact O-N 3.13Å; A18-H21 PolarHBondContact O-N 2.8Å; H21-R33 PolarHBondContact O-NH2 2.87Å; H21-W139 HydrophobicContact CB-CH2 4.03Å; H21-W139 HydrophobicContact CB-CZ2 4.03Å; H21-W139 HydrophobicContact CB-CZ3 4.34Å; H21-W139 AromaticContact CD2-CD1 3.67Å; H21-W139 AromaticContact CD2-CD2 3.66Å; H21-W139 AromaticContact CD2-CE2 3.56Å; H21-W139 AromaticContact CD2-CG 3.84Å; H21-W139 AromaticContact CD2-NE1 3.61Å; H21-W139 AromaticContact CE1-NE1 3.73Å; H21-W139 AromaticContact CG-CE2 3.79Å; H21-W139 AromaticContact CG-CZ2 3.88Å; H21-W139 AromaticContact NE2-CD1 3.37Å; H21-W139 AromaticContact NE2-CE2 3.88Å; H21-W139 AromaticContact NE2-CG 3.97Å; H21-W139 AromaticContact NE2-NE1 3.4Å; H21-W139 PolarHBondContact NE2-NE1 3.06Å; H21-L158 HydrophobicContact CB-CD2 4.48Å |
| 22 | T | 97.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | trans | -133.9 | 8 | -177.2 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | G17 H20 E24 Y25 V31 R33 | G17-T22 WeakPolarHBondContact CA-OG1 3.47Å; G17-T22 PolarHBondContact O-N 3.46Å; G17-T22 PolarHBondContact O-OG1 2.82Å; H20-T22 VanDerWaalsContact C-N 3.34Å; H20-T22 HydrophobicContact CB-CG2 4.29Å; H20-T22 PolarHBondContact O-N 3.23Å; T22-E24 PolarHBondContact O-N 3Å; T22-Y25 HydrophobicContact CG2-CD2 4.27Å; T22-Y25 HydrophobicContact CG2-CE2 4.14Å; T22-Y25 WeakPolarHBondContact O-CD2 3.36Å; T22-Y25 PolarHBondContact O-N 2.86Å; T22-V31 WeakPolarHBondContact CB-O 3.46Å; T22-V31 HydrophobicContact CG2-CB 4.33Å; T22-V31 HydrophobicContact CG2-CG1 3.81Å; T22-V31 PolarHBondContact OG1-O 2.66Å; T22-R33 HydrophobicContact CG2-CG 4.15Å | ||
| 23 | Q | 94.3 | Very high | 94.4 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 51% | 0.505 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21 | -179.9 | 72 | -78.3 | 7.8 | 0 | 0 | 114.3 | G17 Y25 | G17-Q23 PolarHBondContact O-N 2.91Å; G17-Q23 PolarHBondContact O-OE1 3.33Å; G17-Q23 VanDerWaalsContact O-OE1 3.1Å; Q23-Y25 VanDerWaalsContact C-N 3.33Å |
| 24 | E | 91.8 | Very high | 94.6 | Very high | 65 Ų | 65 | 41 Ų | 41 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -16.5 | -179.6 | -64.9 | -159.9 | -143.9 | 0 | 0 | 113.2 | T22 P26 F182 | T22-E24 PolarHBondContact O-N 3Å; E24-P26 WeakPolarHBondContact O-CD 3.41Å; E24-F182 HydrophobicContact CB-CB 4.03Å; E24-F182 HydrophobicContact CB-CD1 3.86Å; E24-F182 HydrophobicContact CB-CD2 3.75Å; E24-F182 HydrophobicContact CB-CE1 4.23Å; E24-F182 HydrophobicContact CB-CE2 4.1Å; E24-F182 HydrophobicContact CB-CG 3.61Å; E24-F182 HydrophobicContact CB-CZ 4.35Å; E24-F182 HydrophobicContact CG-CD2 4.43Å; E24-F182 WeakPolarHBondContact OE2-CD2 3.48Å |
| 25 | Y | 93.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | trans | -69.1 | 122.1 | 176.1 | -70.1 | -70.8 | 0 | 0 | 0 | 110.9 | T22 Q23 C27 V31 L135 F182 L187 C287 | T22-Y25 HydrophobicContact CG2-CD2 4.27Å; T22-Y25 HydrophobicContact CG2-CE2 4.14Å; T22-Y25 WeakPolarHBondContact O-CD2 3.36Å; T22-Y25 PolarHBondContact O-N 2.86Å; Q23-Y25 VanDerWaalsContact C-N 3.33Å; Y25-C27 PolarHBondContact O-N 3.39Å; Y25-V31 HydrophobicContact CD2-CB 4.35Å; Y25-V31 HydrophobicContact CD2-CG1 3.96Å; Y25-V31 HydrophobicContact CE2-CG1 4.22Å; Y25-L135 HydrophobicContact CE2-CD1 3.93Å; Y25-F182 AromaticContact CD1-CD1 3.83Å; Y25-F182 HydrophobicContact CD1-CD1 3.83Å; Y25-F182 HydrophobicContact CD1-CE1 4.41Å; Y25-F182 HydrophobicContact CD2-CD1 4.35Å; Y25-F182 HydrophobicContact CD2-CE1 4.33Å; Y25-F182 AromaticContact CE1-CD1 3.6Å; Y25-F182 HydrophobicContact CE1-CD1 3.6Å; Y25-F182 AromaticContact CE1-CE1 3.88Å; Y25-F182 HydrophobicContact CE1-CE1 3.88Å; Y25-F182 HydrophobicContact CE2-CD1 4.16Å; Y25-F182 AromaticContact CE2-CE1 3.79Å; Y25-F182 HydrophobicContact CE2-CE1 3.79Å; Y25-F182 HydrophobicContact CG-CD1 4.19Å; Y25-F182 AromaticContact CZ-CD1 3.78Å; Y25-F182 AromaticContact CZ-CE1 3.53Å; Y25-L187 HydrophobicContact CD1-CB 3.98Å; Y25-L187 HydrophobicContact CD1-CD2 3.9Å; Y25-L187 HydrophobicContact CD1-CG 4.39Å; Y25-L187 HydrophobicContact CE1-CB 4.13Å; Y25-L187 HydrophobicContact CE1-CD1 4.27Å; Y25-L187 HydrophobicContact CE1-CD2 4.3Å; Y25-L187 HydrophobicContact CE1-CG 4.46Å; Y25-L187 HydrophobicContact CG-CD2 4.16Å; Y25-C287 WeakPolarHBondContact OH-CA 3.36Å; Y25-C287 PolarHBondContact OH-O 3.11Å | ||
| 26 | P | 87.9 | Confident | 94.8 | Very high | 83 Ų | 83 | 32.9 Ų | 32.9 | 54% | 0.539 | 20% | 0.199 | S | C | . | . | trans | -79.2 | 2.7 | -173.4 | 31.4 | -35.8 | 0 | 0 | 0 | 113.7 | E24 F182 | E24-P26 WeakPolarHBondContact O-CD 3.41Å; P26-F182 WeakPolarHBondContact CD-O 3.42Å | ||
| 27 | C | 81.8 | Confident | 94.7 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | trans | -67.4 | 157.7 | -174.3 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | R13 Y25 E29 V31 | R13-C27 PolarHBondContact NH1-O 3Å; R13-C27 PolarHBondContact NH2-O 3.49Å; Y25-C27 PolarHBondContact O-N 3.39Å; C27-E29 VanDerWaalsContact C-N 3.32Å; C27-V31 WeakPolarHBondContact SG-CG2 3.47Å | ||
| 28 | P | 85.1 | Confident | 94.7 | Very high | 109 Ų | 109 | 35.6 Ų | 35.6 | 71% | 0.708 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -79.3 | -12.8 | 175.2 | 30.7 | -35 | 0 | 0 | 0 | 113.8 | R13 | R13-P28 PolarHBondContact NE-O 3.07Å; R13-P28 VanDerWaalsContact NE-O 3.13Å; R13-P28 VanDerWaalsContact NH1-C 3.28Å; R13-P28 PolarHBondContact NH1-O 2.83Å |
| 29 | E | 91.5 | Very high | 94.7 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 20% | 0.201 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -87.1 | 158.6 | -178.3 | -65.2 | 163.3 | 150.9 | 0 | 0 | 111.4 | R13 C27 R111 | R13-E29 VanDerWaalsContact CZ-O 3.3Å; R13-E29 PolarHBondContact NE-O 2.67Å; R13-E29 PolarHBondContact NH2-O 2.81Å; C27-E29 VanDerWaalsContact C-N 3.32Å; E29-R111 IonicContact OE1-CZ 2.7Å; E29-R111 IonicContact OE1-NH1 3Å; E29-R111 PolarHBondContact OE1-NH1 2.88Å; E29-R111 IonicContact OE1-NH2 3.26Å; E29-R111 IonicContact OE2-CZ 3.6Å; E29-R111 IonicContact OE2-NH1 2.75Å; E29-R111 PolarHBondContact OE2-NH1 3.49Å; E29-R111 IonicContact OE2-NH2 2.72Å; E29-R111 PolarHBondContact OE2-NH2 3.25Å |
| 30 | L | 96.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130.7 | 170.8 | 176.8 | 65 | 0 | 0 | 0 | 109.2 | W11 N16 V32 F38 F132 V133 | W11-L30 HydrophobicContact CB-CB 4.39Å; W11-L30 HydrophobicContact CB-CD2 4.48Å; W11-L30 HydrophobicContact CE3-CB 4.36Å; W11-L30 HydrophobicContact CE3-CD2 3.73Å; W11-L30 HydrophobicContact CZ3-CD2 4.4Å; N16-L30 HydrophobicContact CB-CD1 3.69Å; L30-V32 HydrophobicContact CD1-CG1 3.92Å; L30-V32 HydrophobicContact CD2-CG1 4.01Å; L30-V32 HydrophobicContact CG-CG1 3.86Å; L30-F38 HydrophobicContact CD2-CD2 3.84Å; L30-F38 HydrophobicContact CD2-CE2 4.18Å; L30-F132 HydrophobicContact CB-CB 4.03Å; L30-F132 HydrophobicContact CG-CB 4.46Å; L30-F132 CarbonylContact O-C 3.6Å; L30-F132 VanDerWaalsContact O-CA 3.32Å; L30-F132 WeakPolarHBondContact O-CA 3.48Å; L30-F132 WeakPolarHBondContact O-CB 3.39Å; L30-V133 PolarHBondContact O-N 2.95Å |
| 31 | V | 98.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.6 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | T22 Y25 C27 V133 L135 L187 | T22-V31 WeakPolarHBondContact CB-O 3.46Å; T22-V31 HydrophobicContact CG2-CB 4.33Å; T22-V31 HydrophobicContact CG2-CG1 3.81Å; T22-V31 PolarHBondContact OG1-O 2.66Å; Y25-V31 HydrophobicContact CD2-CB 4.35Å; Y25-V31 HydrophobicContact CD2-CG1 3.96Å; Y25-V31 HydrophobicContact CE2-CG1 4.22Å; C27-V31 WeakPolarHBondContact SG-CG2 3.47Å; V31-V133 WeakPolarHBondContact CA-O 3.4Å; V31-V133 HydrophobicContact CG1-CB 4.25Å; V31-V133 HydrophobicContact CG1-CG1 4.29Å; V31-V133 HydrophobicContact CG2-CB 4.24Å; V31-L135 HydrophobicContact CG1-CD1 3.63Å; V31-L135 HydrophobicContact CG1-CG 4.01Å; V31-L187 HydrophobicContact CG1-CD2 4.32Å; V31-L187 HydrophobicContact CG2-CD2 3.78Å |
| 32 | V | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 167.8 | -179.6 | -72.7 | 0 | 0 | 0 | 0 | 109.8 | N16 L30 F38 F132 V133 L134 L135 | N16-V32 HydrophobicContact CB-CG1 4.42Å; L30-V32 HydrophobicContact CD1-CG1 3.92Å; L30-V32 HydrophobicContact CD2-CG1 4.01Å; L30-V32 HydrophobicContact CG-CG1 3.86Å; V32-F38 HydrophobicContact CB-CD1 4.43Å; V32-F38 HydrophobicContact CG1-CB 3.96Å; V32-F38 HydrophobicContact CG1-CD1 4.36Å; V32-F38 HydrophobicContact CG1-CG 4.1Å; V32-F38 HydrophobicContact CG2-CD1 4.13Å; V32-F38 HydrophobicContact CG2-CE1 4.18Å; V32-F132 HydrophobicContact CG2-CD2 3.79Å; V32-F132 HydrophobicContact CG2-CE2 4.16Å; V32-V133 PolarHBondContact N-O 2.97Å; V32-L134 HydrophobicContact CG2-CD1 3.84Å; V32-L134 CarbonylContact O-C 3.52Å; V32-L134 WeakPolarHBondContact O-CA 3.44Å; V32-L135 PolarHBondContact O-N 3.31Å |
| 33 | R | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.1 | 180 | -58.9 | -176.4 | -177.4 | -84.6 | -0.2 | 110.3 | H20 H21 T22 L135 F136 N137 | H20-R33 HydrophobicContact CB-CG 4.5Å; H20-R33 PolarHBondContact ND1-N 2.88Å; H20-R33 VanDerWaalsContact ND1-N 3.12Å; H20-R33 WeakPolarHBondContact O-CD 3.22Å; H20-R33 PolarHBondContact O-NE 3.31Å; H21-R33 PolarHBondContact O-NH2 2.87Å; T22-R33 HydrophobicContact CG2-CG 4.15Å; R33-L135 WeakPolarHBondContact CA-O 3.39Å; R33-L135 HydrophobicContact CG-CB 4.44Å; R33-F136 PolarHBondContact NH1-O 3.02Å; R33-N137 HydrophobicContact CB-CB 3.69Å |
| 34 | R | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 156.8 | -178.7 | 68.1 | -171.5 | -171 | 158.6 | 12.1 | 112.8 | Q36 S103 P105 A107 L134 L135 F136 N137 D143 H212 | R34-Q36 PolarHBondContact O-N 2.77Å; R34-S103 WeakPolarHBondContact CA-OG 3.3Å; R34-S103 WeakPolarHBondContact CB-OG 3.41Å; R34-P105 WeakPolarHBondContact CD-O 3.42Å; R34-P105 WeakPolarHBondContact CG-O 2.92Å; R34-P105 PolarHBondContact NE-O 3.13Å; R34-P105 PolarHBondContact NH2-O 3.38Å; R34-A107 HydrophobicContact CB-CB 4.12Å; R34-A107 VanDerWaalsContact CD-O 3.32Å; R34-A107 WeakPolarHBondContact CD-O 3.02Å; R34-A107 PolarHBondContact NH1-O 2.81Å; R34-L134 HydrophobicContact CB-CD1 4.26Å; R34-L134 HydrophobicContact CB-CD2 4.08Å; R34-L134 HydrophobicContact CB-CG 4.08Å; R34-L135 PolarHBondContact N-O 2.97Å; R34-F136 VanDerWaalsContact CZ-CE1 3.42Å; R34-F136 VanDerWaalsContact NH2-CD1 3.3Å; R34-F136 VanDerWaalsContact NH2-CE1 3.32Å; R34-N137 HydrophobicContact CG-CB 4.23Å; R34-N137 WeakPolarHBondContact O-CB 3.41Å; R34-N137 PolarHBondContact O-ND2 2.87Å; R34-D143 VanDerWaalsContact CG-OD2 3.29Å; R34-D143 WeakPolarHBondContact CG-OD2 3.4Å; R34-D143 IonicContact CZ-OD1 3.58Å; R34-D143 IonicContact CZ-OD2 2.88Å; R34-D143 IonicContact NE-OD1 2.79Å; R34-D143 PolarHBondContact NE-OD1 2.88Å; R34-D143 IonicContact NE-OD2 3.54Å; R34-D143 PolarHBondContact NE-OD2 3.47Å; R34-D143 IonicContact NH2-OD1 3.53Å; R34-D143 PolarHBondContact NH2-OD1 2.96Å; R34-D143 IonicContact NH2-OD2 3.59Å; R34-H212 PolarHBondContact NH1-O 3.44Å; R34-H212 PolarHBondContact NH2-O 2.9Å |
| 35 | G | 96.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 5.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S103 P104 | G35-S103 VanDerWaalsContact CA-O 3.27Å; G35-S103 WeakPolarHBondContact CA-O 3.31Å; G35-S103 PolarHBondContact N-O 2.86Å; G35-S103 PolarHBondContact N-OG 3.08Å; G35-P104 PolarHBondContact N-O 3.21Å |
| 36 | Q | 96.4 | Very high | 93.3 | Very high | 51 Ų | 51 | 31 Ų | 31 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -129.3 | 142.6 | 179.6 | -177.6 | 179.1 | -1.1 | 0 | 0 | 110.4 | A19 H20 R34 | A19-Q36 PolarHBondContact O-NE2 3.08Å; H20-Q36 VanDerWaalsContact CE1-CG 3.47Å; H20-Q36 WeakPolarHBondContact CE1-CG 3.3Å; H20-Q36 PolarHBondContact ND1-OE1 3.41Å; R34-Q36 PolarHBondContact O-N 2.77Å |
| 37 | S | 96 | Very high | 93 | Very high | 65 Ų | 65 | 28.9 Ų | 28.9 | 46% | 0.455 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 145.1 | -179.3 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | H20 L101 | H20-S37 PolarHBondContact NE2-O 2.85Å; H20-S37 VanDerWaalsContact NE2-O 3.07Å; S37-L101 CarbonylContact C-O 3.51Å; S37-L101 WeakPolarHBondContact CA-O 3.46Å |
| 38 | F | 97 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.3 | 173.4 | 61.1 | -83.4 | 0 | 0 | 0 | 111 | N16 L30 V32 L40 W85 L101 F132 | N16-F38 HydrophobicContact CB-CB 4.42Å; L30-F38 HydrophobicContact CD2-CD2 3.84Å; L30-F38 HydrophobicContact CD2-CE2 4.18Å; V32-F38 HydrophobicContact CB-CD1 4.43Å; V32-F38 HydrophobicContact CG1-CB 3.96Å; V32-F38 HydrophobicContact CG1-CD1 4.36Å; V32-F38 HydrophobicContact CG1-CG 4.1Å; V32-F38 HydrophobicContact CG2-CD1 4.13Å; V32-F38 HydrophobicContact CG2-CE1 4.18Å; F38-L40 HydrophobicContact CE2-CD2 4.36Å; F38-W85 HydrophobicContact CE1-CZ3 4.33Å; F38-L101 HydrophobicContact CE1-CB 4.03Å; F38-L101 HydrophobicContact CE2-CB 4.1Å; F38-L101 HydrophobicContact CE2-CD1 4.01Å; F38-L101 HydrophobicContact CE2-CG 4.36Å; F38-L101 HydrophobicContact CZ-CB 3.82Å; F38-L101 HydrophobicContact CZ-CD1 3.97Å; F38-L101 HydrophobicContact CZ-CG 4.4Å; F38-L101 PolarHBondContact N-O 2.85Å; F38-L101 PolarHBondContact O-N 2.55Å; F38-F132 HydrophobicContact CZ-CE2 4.18Å; F38-F132 HydrophobicContact CZ-CZ 4.21Å |
| 39 | S | 96.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 142.4 | -174.9 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | N16 E90 V99 | N16-S39 PolarHBondContact ND2-O 3.19Å; N16-S39 PolarHBondContact OD1-N 2.78Å; N16-S39 VanDerWaalsContact OD1-N 3.08Å; S39-E90 PolarHBondContact OG-OE1 3.13Å; S39-E90 PolarHBondContact OG-OE2 3.21Å; S39-V99 CarbonylContact C-O 3.49Å; S39-V99 WeakPolarHBondContact CA-O 3.38Å |
| 40 | L | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.1 | 172.2 | 54.1 | 89.9 | 0 | 0 | 0 | 110.7 | F38 L42 F56 T98 V99 L101 L114 | F38-L40 HydrophobicContact CE2-CD2 4.36Å; L40-L42 HydrophobicContact CD1-CD1 4.02Å; L40-L42 HydrophobicContact CD1-CD2 3.7Å; L40-L42 HydrophobicContact CD1-CG 3.66Å; L40-F56 HydrophobicContact CD1-CE1 4.37Å; L40-T98 WeakPolarHBondContact O-CA 3.21Å; L40-V99 HydrophobicContact CD1-CB 4.03Å; L40-V99 PolarHBondContact N-O 3.06Å; L40-V99 PolarHBondContact O-N 3.47Å; L40-L101 HydrophobicContact CD2-CD1 3.42Å; L40-L101 VanDerWaalsContact CD2-CD1 3.42Å; L40-L101 HydrophobicContact CD2-CD2 4.47Å; L40-L101 HydrophobicContact CD2-CG 3.69Å; L40-L101 HydrophobicContact CG-CG 4.39Å; L40-L114 HydrophobicContact CD2-CD2 3.74Å |
| 41 | T | 95.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 118.9 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | D10 Q12 T96 T98 | D10-T41 PolarHBondContact N-O 3.47Å; D10-T41 PolarHBondContact O-N 3.06Å; Q12-T41 PolarHBondContact NE2-OG1 2.83Å; T41-T96 HydrophobicContact CG2-CG2 3.24Å; T41-T98 PolarHBondContact OG1-OG1 3.05Å |
| 42 | L | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.9 | 179.3 | -57.5 | 177.7 | 0 | 0 | 0 | 108.8 | V6 V9 L40 L44 F56 T96 L97 V99 I116 L129 | V6-L42 HydrophobicContact CG1-CD2 4.15Å; V9-L42 HydrophobicContact CG1-CD2 4.17Å; V9-L42 HydrophobicContact CG2-CD2 3.99Å; L40-L42 HydrophobicContact CD1-CD1 4.02Å; L40-L42 HydrophobicContact CD1-CD2 3.7Å; L40-L42 HydrophobicContact CD1-CG 3.66Å; L42-L44 HydrophobicContact CB-CD2 4.18Å; L42-F56 HydrophobicContact CD1-CE1 4.33Å; L42-F56 HydrophobicContact CD1-CZ 4.13Å; L42-T96 WeakPolarHBondContact O-CA 3.49Å; L42-L97 PolarHBondContact N-O 2.9Å; L42-L97 PolarHBondContact O-N 2.65Å; L42-V99 HydrophobicContact CD1-CG2 4.26Å; L42-I116 HydrophobicContact CD1-CD1 3.75Å; L42-L129 HydrophobicContact CD2-CD1 4.06Å |
| 43 | E | 92.9 | Very high | 87.8 | Confident | 88 Ų | 88 | 42.4 Ų | 42.4 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130 | 166.4 | -161.6 | -174.4 | 149.5 | 0 | 0 | 107.8 | V6 T7 K8 | V6-E43 CarbonylContact C-O 3.58Å; V6-E43 VanDerWaalsContact CA-O 3.3Å; V6-E43 WeakPolarHBondContact CA-O 3.43Å; T7-E43 PolarHBondContact N-O 3.46Å; T7-E43 WeakPolarHBondContact OG1-CB 3.41Å; T7-E43 WeakPolarHBondContact OG1-CG 3.45Å; T7-E43 PolarHBondContact OG1-O 3.19Å; K8-E43 HydrophobicContact CB-CB 3.85Å; K8-E43 WeakPolarHBondContact CB-OE2 3.39Å; K8-E43 WeakPolarHBondContact CD-OE2 3.4Å; K8-E43 PolarHBondContact O-N 3.38Å |
| 44 | L | 90.2 | Very high | 87.3 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 155.9 | -174 | -54.7 | 174.7 | 0 | 0 | 0 | 110.6 | I4 R5 V6 L42 R46 P48 F54 N95 L97 | I4-L44 HydrophobicContact CG2-CB 4.16Å; I4-L44 HydrophobicContact CG2-CD1 4.46Å; I4-L44 HydrophobicContact CG2-CD2 4.11Å; I4-L44 HydrophobicContact CG2-CG 4.47Å; R5-L44 CarbonylContact O-C 3.58Å; R5-L44 WeakPolarHBondContact O-CA 3.36Å; V6-L44 HydrophobicContact CB-CD2 4.48Å; V6-L44 HydrophobicContact CG2-CD2 3.88Å; L42-L44 HydrophobicContact CB-CD2 4.18Å; L44-R46 WeakPolarHBondContact CB-O 3.39Å; L44-R46 PolarHBondContact O-N 2.94Å; L44-P48 HydrophobicContact CD1-CB 4.34Å; L44-P48 HydrophobicContact CD1-CG 3.83Å; L44-F54 HydrophobicContact CD1-CE1 4.24Å; L44-F54 HydrophobicContact CD1-CZ 3.86Å; L44-F54 HydrophobicContact CD2-CE1 4.13Å; L44-N95 WeakPolarHBondContact CA-O 3.44Å; L44-N95 VanDerWaalsContact CB-O 3.22Å; L44-N95 WeakPolarHBondContact CB-O 3.18Å; L44-N95 WeakPolarHBondContact CG-O 3.38Å; L44-N95 PolarHBondContact N-O 2.88Å; L44-N95 WeakPolarHBondContact O-CB 3.47Å; L44-L97 HydrophobicContact CD1-CB 3.95Å |
| 45 | S | 87.8 | Confident | 87 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -68.2 | -19.9 | 177.8 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | R5 | R5-S45 PolarHBondContact N-OG 3.08Å; R5-S45 PolarHBondContact O-N 2.78Å |
| 46 | R | 84.7 | Confident | 86.9 | Confident | 62 Ų | 62 | 42.1 Ų | 42.1 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -159.6 | 165.1 | 174.7 | 64.8 | 172.4 | -170.1 | 97.5 | -6.1 | 108.9 | I4 L44 D49 E52 N95 | I4-R46 HydrophobicContact CD1-CG 3.7Å; I4-R46 HydrophobicContact CG1-CG 3.59Å; L44-R46 WeakPolarHBondContact CB-O 3.39Å; L44-R46 PolarHBondContact O-N 2.94Å; R46-D49 IonicContact CZ-OD2 3.21Å; R46-D49 VanDerWaalsContact CZ-OD2 3.27Å; R46-D49 IonicContact NH1-OD1 2.61Å; R46-D49 PolarHBondContact NH1-OD1 2.86Å; R46-D49 VanDerWaalsContact NH1-OD1 3.1Å; R46-D49 IonicContact NH1-OD2 2.78Å; R46-D49 PolarHBondContact NH1-OD2 2.98Å; R46-D49 IonicContact NH2-OD2 3.5Å; R46-D49 PolarHBondContact NH2-OD2 2.82Å; R46-E52 IonicContact CZ-OE2 3.89Å; R46-E52 IonicContact NH2-OE1 4Å; R46-E52 PolarHBondContact NH2-OE1 2.81Å; R46-E52 IonicContact NH2-OE2 2.84Å; R46-E52 PolarHBondContact NH2-OE2 3.4Å; R46-N95 WeakPolarHBondContact CA-OD1 3.48Å |
| 47 | A | 82.1 | Confident | 86.8 | Confident | 39 Ų | 39 | 40.5 Ų | 40.5 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -60.1 | 134.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E94 N95 | A47-E94 WeakPolarHBondContact CA-O 3.31Å; A47-E94 VanDerWaalsContact CB-O 3.3Å; A47-E94 WeakPolarHBondContact CB-O 3.18Å; A47-N95 PolarHBondContact N-OD1 3.48Å |
| 48 | P | 77.7 | Confident | 86.8 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.065 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 138.4 | 175.8 | 25.5 | -29.5 | 0 | 0 | 0 | 111.8 | I4 L44 F54 Q92 | I4-P48 VanDerWaalsContact CD1-CA 3.46Å; I4-P48 HydrophobicContact CD1-CB 3.98Å; L44-P48 HydrophobicContact CD1-CB 4.34Å; L44-P48 HydrophobicContact CD1-CG 3.83Å; P48-F54 HydrophobicContact CB-CE2 4.03Å; P48-F54 HydrophobicContact CB-CZ 3.87Å; P48-F54 HydrophobicContact CG-CE2 4.43Å; P48-F54 HydrophobicContact CG-CZ 4.26Å; P48-Q92 VanDerWaalsContact CD-NE2 3.3Å; P48-Q92 HydrophobicContact CG-CG 4.41Å; P48-Q92 PolarHBondContact O-NE2 3.44Å |
| 49 | D | 73.2 | Confident | 86.8 | Confident | 77 Ų | 77 | 39.7 Ų | 39.7 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -76.4 | 155.2 | 174.8 | -57.9 | -42.4 | 0 | 0 | 0 | 110.1 | R46 E51 E52 | R46-D49 IonicContact CZ-OD2 3.21Å; R46-D49 VanDerWaalsContact CZ-OD2 3.27Å; R46-D49 IonicContact NH1-OD1 2.61Å; R46-D49 PolarHBondContact NH1-OD1 2.86Å; R46-D49 VanDerWaalsContact NH1-OD1 3.1Å; R46-D49 IonicContact NH1-OD2 2.78Å; R46-D49 PolarHBondContact NH1-OD2 2.98Å; R46-D49 IonicContact NH2-OD2 3.5Å; R46-D49 PolarHBondContact NH2-OD2 2.82Å; D49-E51 PolarHBondContact O-N 3.07Å; D49-E52 HydrophobicContact CB-CG 4.33Å; D49-E52 PolarHBondContact N-OE2 2.81Å; D49-E52 VanDerWaalsContact N-OE2 3.15Å; D49-E52 PolarHBondContact O-N 2.85Å |
| 50 | C | 65.4 | Low | 86.9 | Confident | 140 Ų | 140 | 39.8 Ų | 39.8 | 95% | 0.946 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.7 | -177.5 | -70.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 51 | E | 68.2 | Low | 86.8 | Confident | 182 Ų | 182 | 41.6 Ų | 41.6 | 85% | 0.85 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -2.9 | 178.9 | -61.9 | -169.5 | 172 | 0 | 0 | 113.8 | D49 T53 | D49-E51 PolarHBondContact O-N 3.07Å; E51-T53 PolarHBondContact O-N 2.86Å |
| 52 | E | 75.8 | Confident | 86.5 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 118.4 | -178.8 | -72.6 | -177.1 | 137.1 | 0 | 0 | 111.9 | I4 R46 D49 K89 S120 | I4-E52 WeakPolarHBondContact CD1-OE2 3.46Å; R46-E52 IonicContact CZ-OE2 3.89Å; R46-E52 IonicContact NH2-OE1 4Å; R46-E52 PolarHBondContact NH2-OE1 2.81Å; R46-E52 IonicContact NH2-OE2 2.84Å; R46-E52 PolarHBondContact NH2-OE2 3.4Å; D49-E52 HydrophobicContact CB-CG 4.33Å; D49-E52 PolarHBondContact N-OE2 2.81Å; D49-E52 VanDerWaalsContact N-OE2 3.15Å; D49-E52 PolarHBondContact O-N 2.85Å; E52-K89 PolarHBondContact O-NZ 2.81Å; E52-K89 VanDerWaalsContact O-NZ 3.11Å; E52-S120 PolarHBondContact OE1-OG 3.09Å |
| 53 | T | 83.1 | Confident | 86.3 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 130.9 | 177.2 | -47.1 | 0 | 0 | 0 | 0 | 109.7 | E51 Q75 S119 | E51-T53 PolarHBondContact O-N 2.86Å; T53-Q75 HydrophobicContact CG2-CB 3.8Å; T53-Q75 HydrophobicContact CG2-CG 4.35Å; T53-S119 PolarHBondContact N-OG 3.29Å; T53-S119 PolarHBondContact O-N 2.8Å; T53-S119 VanDerWaalsContact O-N 3.09Å |
| 54 | F | 88.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.2 | 173.2 | -62.8 | -95.3 | 0 | 0 | 0 | 108.4 | L44 P48 F56 Q75 T76 L97 I116 L118 | L44-F54 HydrophobicContact CD1-CE1 4.24Å; L44-F54 HydrophobicContact CD1-CZ 3.86Å; L44-F54 HydrophobicContact CD2-CE1 4.13Å; P48-F54 HydrophobicContact CB-CE2 4.03Å; P48-F54 HydrophobicContact CB-CZ 3.87Å; P48-F54 HydrophobicContact CG-CE2 4.43Å; P48-F54 HydrophobicContact CG-CZ 4.26Å; F54-F56 HydrophobicContact CB-CE2 3.92Å; F54-F56 HydrophobicContact CB-CZ 4.35Å; F54-Q75 VanDerWaalsContact O-CA 3.32Å; F54-Q75 WeakPolarHBondContact O-CA 3.47Å; F54-T76 HydrophobicContact CB-CG2 3.89Å; F54-T76 PolarHBondContact N-OG1 3.31Å; F54-T76 PolarHBondContact O-N 3.17Å; F54-L97 HydrophobicContact CD1-CD2 4.35Å; F54-L97 HydrophobicContact CD2-CD2 3.74Å; F54-L97 HydrophobicContact CE1-CD2 3.98Å; F54-L97 HydrophobicContact CE2-CD2 3.36Å; F54-L97 HydrophobicContact CG-CD2 4.22Å; F54-L97 HydrophobicContact CZ-CD2 3.49Å; F54-L97 VanDerWaalsContact CZ-CD2 3.49Å; F54-I116 HydrophobicContact CB-CD1 4.21Å; F54-I116 HydrophobicContact CD1-CD1 3.68Å; F54-I116 HydrophobicContact CG-CD1 4.4Å; F54-L118 HydrophobicContact CD1-CD2 3.63Å; F54-L118 HydrophobicContact CD1-CG 4.32Å; F54-L118 HydrophobicContact CE1-CD2 3.45Å; F54-L118 VanDerWaalsContact CE1-CD2 3.45Å; F54-L118 HydrophobicContact CE1-CG 4.36Å; F54-L118 HydrophobicContact CG-CD2 4.32Å; F54-L118 HydrophobicContact CZ-CD2 3.95Å |
| 55 | I | 90.9 | Very high | 86.5 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 115.2 | 178.4 | -52.2 | 168 | 0 | 0 | 0 | 107.4 | V73 F74 Q75 I116 R117 | I55-V73 HydrophobicContact CG2-CG1 3.47Å; I55-V73 VanDerWaalsContact CG2-CG1 3.47Å; I55-F74 CarbonylContact C-O 3.44Å; I55-F74 WeakPolarHBondContact CA-O 3.4Å; I55-Q75 HydrophobicContact CG1-CB 4.18Å; I55-I116 CarbonylContact O-C 3.57Å; I55-I116 WeakPolarHBondContact O-CA 3.4Å; I55-R117 HydrophobicContact CB-CG 3.61Å; I55-R117 HydrophobicContact CD1-CG 4.25Å; I55-R117 HydrophobicContact CG1-CG 4.42Å; I55-R117 HydrophobicContact CG2-CG 4.06Å; I55-R117 VanDerWaalsContact CG2-NE 3.31Å; I55-R117 PolarHBondContact N-O 3.22Å; I55-R117 PolarHBondContact O-N 2.75Å |
| 56 | F | 93.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 150.7 | 176.8 | -66 | -86.9 | 0 | 0 | 0 | 110.4 | L40 L42 F54 V73 F74 T76 A87 V99 L101 L114 S115 I116 L129 | L40-F56 HydrophobicContact CD1-CE1 4.37Å; L42-F56 HydrophobicContact CD1-CE1 4.33Å; L42-F56 HydrophobicContact CD1-CZ 4.13Å; F54-F56 HydrophobicContact CB-CE2 3.92Å; F54-F56 HydrophobicContact CB-CZ 4.35Å; F56-V73 WeakPolarHBondContact O-CA 3.04Å; F56-F74 HydrophobicContact CB-CD1 4.46Å; F56-F74 HydrophobicContact CB-CD2 4.09Å; F56-F74 HydrophobicContact CB-CE1 4.06Å; F56-F74 HydrophobicContact CB-CE2 3.7Å; F56-F74 HydrophobicContact CB-CG 4.46Å; F56-F74 HydrophobicContact CB-CZ 3.67Å; F56-F74 HydrophobicContact CG-CE2 4.33Å; F56-F74 PolarHBondContact N-O 3.39Å; F56-F74 PolarHBondContact O-N 3.26Å; F56-T76 HydrophobicContact CE2-CG2 3.85Å; F56-A87 HydrophobicContact CD2-CB 3.68Å; F56-A87 HydrophobicContact CE2-CB 3.94Å; F56-V99 HydrophobicContact CE2-CG1 3.87Å; F56-V99 HydrophobicContact CZ-CB 4.29Å; F56-V99 HydrophobicContact CZ-CG1 3.9Å; F56-V99 HydrophobicContact CZ-CG2 4.16Å; F56-L101 HydrophobicContact CD1-CD1 4.5Å; F56-L101 HydrophobicContact CD1-CD2 4.28Å; F56-L101 HydrophobicContact CD2-CD2 4.13Å; F56-L101 HydrophobicContact CE1-CD2 4.3Å; F56-L101 HydrophobicContact CE2-CD2 4.16Å; F56-L101 HydrophobicContact CG-CD2 4.19Å; F56-L101 HydrophobicContact CZ-CD2 4.25Å; F56-L114 HydrophobicContact CB-CD1 4.49Å; F56-L114 HydrophobicContact CD1-CD1 4.18Å; F56-S115 WeakPolarHBondContact CA-O 3.32Å; F56-I116 HydrophobicContact CD1-CB 4.44Å; F56-I116 HydrophobicContact CD1-CD1 4.19Å; F56-I116 HydrophobicContact CD1-CG1 4.13Å; F56-I116 HydrophobicContact CE1-CD1 3.54Å; F56-I116 HydrophobicContact CE1-CG1 4Å; F56-I116 HydrophobicContact CE2-CD1 4.46Å; F56-I116 HydrophobicContact CZ-CD1 3.7Å; F56-I116 HydrophobicContact CZ-CG1 4.38Å; F56-L129 HydrophobicContact CE1-CD1 4.2Å |
| 57 | M | 94.9 | Very high | 87 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 125.7 | 174.4 | -179.4 | 178.8 | -68 | 0 | 0 | 108.3 | E59 K71 A72 V73 S115 N126 | M57-E59 HydrophobicContact CG-CG 4.11Å; M57-E59 HydrophobicContact SD-CG 4.41Å; M57-K71 WeakPolarHBondContact SD-CE 3.39Å; M57-K71 PolarHBondContact SD-NZ 2.81Å; M57-A72 VanDerWaalsContact CA-O 3.31Å; M57-A72 WeakPolarHBondContact CA-O 3.4Å; M57-V73 HydrophobicContact CB-CG2 4.45Å; M57-V73 HydrophobicContact CE-CG2 3.58Å; M57-V73 HydrophobicContact CG-CG2 4.12Å; M57-S115 PolarHBondContact N-O 2.84Å; M57-S115 PolarHBondContact O-N 2.84Å; M57-N126 VanDerWaalsContact CE-ND2 3.3Å; M57-N126 WeakPolarHBondContact CE-ND2 3.25Å; M57-N126 PolarHBondContact SD-ND2 2.93Å |
| 58 | V | 96.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136 | 173.1 | -65.2 | 0 | 0 | 0 | 0 | 108.9 | K71 A72 F74 W85 Y112 L113 L114 F132 | V58-K71 VanDerWaalsContact O-CA 3.23Å; V58-K71 WeakPolarHBondContact O-CA 3.36Å; V58-A72 HydrophobicContact CG2-CB 3.78Å; V58-A72 PolarHBondContact N-O 2.83Å; V58-A72 PolarHBondContact O-N 3.16Å; V58-F74 HydrophobicContact CB-CE1 4.45Å; V58-F74 HydrophobicContact CG1-CE1 3.88Å; V58-F74 HydrophobicContact CG1-CZ 4Å; V58-F74 HydrophobicContact CG2-CE1 3.93Å; V58-W85 HydrophobicContact CG1-CE3 4.31Å; V58-W85 HydrophobicContact CG1-CH2 4.47Å; V58-W85 HydrophobicContact CG1-CZ3 4.23Å; V58-W85 HydrophobicContact CG2-CD2 3.86Å; V58-W85 HydrophobicContact CG2-CE3 4.36Å; V58-W85 HydrophobicContact CG2-CG 4.15Å; V58-W85 HydrophobicContact CG2-CZ2 4.1Å; V58-Y112 HydrophobicContact CB-CD1 3.93Å; V58-Y112 HydrophobicContact CB-CE1 4.38Å; V58-Y112 HydrophobicContact CG2-CD1 4.44Å; V58-Y112 HydrophobicContact CG2-CE1 4.4Å; V58-L113 WeakPolarHBondContact CA-O 3.33Å; V58-L114 HydrophobicContact CG1-CD1 3.53Å; V58-F132 HydrophobicContact CG1-CE1 4.38Å; V58-F132 HydrophobicContact CG1-CZ 4.37Å |
| 59 | E | 97.4 | Very high | 88.3 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 23% | 0.229 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.8 | -178.7 | -69.3 | 176.4 | 129.4 | 0 | 0 | 109.8 | M57 A64 T70 K71 Y112 L113 | M57-E59 HydrophobicContact CG-CG 4.11Å; M57-E59 HydrophobicContact SD-CG 4.41Å; E59-A64 HydrophobicContact CB-CB 3.76Å; E59-A64 HydrophobicContact CG-CB 4Å; E59-T70 CarbonylContact C-O 3.53Å; E59-T70 WeakPolarHBondContact CA-O 3.33Å; E59-K71 HydrophobicContact CG-CB 4.27Å; E59-K71 HydrophobicContact CG-CD 4.08Å; E59-K71 HydrophobicContact CG-CG 3.87Å; E59-K71 WeakPolarHBondContact OE1-CE 3.41Å; E59-K71 IonicContact OE1-NZ 3.47Å; E59-K71 PolarHBondContact OE1-NZ 3.45Å; E59-Y112 CarbonylContact O-C 3.55Å; E59-Y112 WeakPolarHBondContact O-CA 3Å; E59-L113 PolarHBondContact N-O 3.12Å; E59-L113 PolarHBondContact O-N 2.86Å |
| 60 | T | 97.1 | Very high | 89.4 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.7 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 111 | A64 T70 V108 R111 Y112 V208 | T60-A64 WeakPolarHBondContact O-CB 3.31Å; T60-T70 HydrophobicContact CG2-CG2 4.03Å; T60-T70 PolarHBondContact N-O 2.99Å; T60-V108 HydrophobicContact CG2-CB 4.31Å; T60-V108 HydrophobicContact CG2-CG1 3.93Å; T60-R111 PolarHBondContact OG1-O 3.49Å; T60-R111 VanDerWaalsContact OG1-O 3.08Å; T60-Y112 HydrophobicContact CG2-CD1 4.23Å; T60-Y112 HydrophobicContact CG2-CE1 3.55Å; T60-Y112 HydrophobicContact CG2-CE2 4.09Å; T60-Y112 VanDerWaalsContact CG2-CZ 3.47Å; T60-V208 HydrophobicContact CG2-CG1 4.15Å |
| 61 | G | 93.8 | Very high | 90.9 | Very high | 39 Ų | 39 | 54 Ų | 54 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 74.7 | 173.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R63 | G61-R63 VanDerWaalsContact C-N 3.34Å; G61-R63 PolarHBondContact O-N 3.45Å |
| 62 | P | 88.8 | Confident | 92.1 | Very high | 88 Ų | 88 | 46.2 Ų | 46.2 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -18.4 | -170.4 | 28.9 | -35.3 | 0 | 0 | 0 | 114.4 | P204 | P62-P204 HydrophobicContact CG-CB 3.51Å; P62-P204 HydrophobicContact CG-CG 4.46Å |
| 63 | R | 89.7 | Confident | 92.9 | Very high | 148 Ų | 148 | 48.2 Ų | 48.2 | 56% | 0.558 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.6 | 58.3 | -178.5 | -69.1 | -173.4 | -72.7 | -171.7 | -0.2 | 110.7 | G61 S65 N203 A205 | G61-R63 VanDerWaalsContact C-N 3.34Å; G61-R63 PolarHBondContact O-N 3.45Å; R63-S65 PolarHBondContact O-N 2.78Å; R63-N203 PolarHBondContact NH2-OD1 3.21Å; R63-A205 HydrophobicContact CB-CB 4.05Å |
| 64 | A | 92.2 | Very high | 93.3 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 22% | 0.223 | 26% | 0.264 | C | S | . | . | trans | -58.1 | 130.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E59 T60 T70 K71 | E59-A64 HydrophobicContact CB-CB 3.76Å; E59-A64 HydrophobicContact CG-CB 4Å; T60-A64 WeakPolarHBondContact O-CB 3.31Å; A64-T70 WeakPolarHBondContact CA-OG1 3.4Å; A64-T70 WeakPolarHBondContact CB-O 3.33Å; A64-K71 HydrophobicContact CB-CB 4.16Å | ||
| 65 | S | 94.7 | Very high | 93.3 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | trans | -149.6 | 151 | 176.1 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | R63 A67 L68 H69 T70 K71 | R63-S65 PolarHBondContact O-N 2.78Å; S65-A67 VanDerWaalsContact C-N 3.3Å; S65-A67 PolarHBondContact O-N 3.05Å; S65-L68 PolarHBondContact O-N 2.89Å; S65-L68 WeakPolarHBondContact OG-CB 3.28Å; S65-L68 VanDerWaalsContact OG-CG 3.32Å; S65-L68 WeakPolarHBondContact OG-CG 3.32Å; S65-L68 PolarHBondContact OG-N 2.8Å; S65-H69 PolarHBondContact O-N 2.79Å; S65-T70 PolarHBondContact N-OG1 2.78Å; S65-T70 PolarHBondContact O-N 3.44Å; S65-T70 VanDerWaalsContact O-N 3.1Å; S65-T70 PolarHBondContact O-OG1 2.97Å; S65-K71 PolarHBondContact O-N 2.92Å | ||
| 66 | E | 92.4 | Very high | 92.9 | Very high | 117 Ų | 117 | 52 Ų | 52 | 55% | 0.547 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -65.5 | -36.5 | 179.1 | -68 | 176.9 | -155.8 | 0 | 0 | 111.1 | L68 H69 K71 | E66-L68 PolarHBondContact O-N 2.82Å; E66-H69 PolarHBondContact O-N 2.96Å; E66-K71 WeakPolarHBondContact CA-O 3.43Å; E66-K71 HydrophobicContact CG-CB 4.33Å; E66-K71 HydrophobicContact CG-CD 4.49Å; E66-K71 HydrophobicContact CG-CG 4.17Å |
| 67 | A | 92.1 | Very high | 92 | Very high | 89 Ų | 89 | 55 Ų | 55 | 74% | 0.736 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -63.6 | -26.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S65 | S65-A67 VanDerWaalsContact C-N 3.3Å; S65-A67 PolarHBondContact O-N 3.05Å |
| 68 | L | 92.6 | Very high | 90.2 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -99.2 | 8.5 | 175.8 | -65.8 | 178.2 | 0 | 0 | 0 | 112.4 | S65 E66 T70 A205 S209 | S65-L68 PolarHBondContact O-N 2.89Å; S65-L68 WeakPolarHBondContact OG-CB 3.28Å; S65-L68 VanDerWaalsContact OG-CG 3.32Å; S65-L68 WeakPolarHBondContact OG-CG 3.32Å; S65-L68 PolarHBondContact OG-N 2.8Å; E66-L68 PolarHBondContact O-N 2.82Å; L68-T70 HydrophobicContact CB-CG2 4.43Å; L68-T70 PolarHBondContact O-N 3.19Å; L68-A205 HydrophobicContact CD1-CB 3.92Å; L68-S209 WeakPolarHBondContact O-CB 3.33Å |
| 69 | H | 93.6 | Very high | 88.1 | Confident | 150 Ų | 150 | 69.1 Ų | 69.1 | 69% | 0.694 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 20.1 | -175.8 | -53.7 | -73.5 | 0 | 0 | 0 | 114.5 | S65 E66 | S65-H69 PolarHBondContact O-N 2.79Å; E66-H69 PolarHBondContact O-N 2.96Å |
| 70 | T | 96.1 | Very high | 85.8 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.018 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -97.7 | -2 | 177.7 | 46.2 | 0 | 0 | 0 | 0 | 112.1 | E59 T60 A64 S65 L68 V108 V208 | E59-T70 CarbonylContact C-O 3.53Å; E59-T70 WeakPolarHBondContact CA-O 3.33Å; T60-T70 HydrophobicContact CG2-CG2 4.03Å; T60-T70 PolarHBondContact N-O 2.99Å; A64-T70 WeakPolarHBondContact CA-OG1 3.4Å; A64-T70 WeakPolarHBondContact CB-O 3.33Å; S65-T70 PolarHBondContact N-OG1 2.78Å; S65-T70 PolarHBondContact O-N 3.44Å; S65-T70 VanDerWaalsContact O-N 3.1Å; S65-T70 PolarHBondContact O-OG1 2.97Å; L68-T70 HydrophobicContact CB-CG2 4.43Å; L68-T70 PolarHBondContact O-N 3.19Å; T70-V108 HydrophobicContact CG2-CG2 4.47Å; T70-V208 HydrophobicContact CG2-CB 4.42Å; T70-V208 HydrophobicContact CG2-CG1 3.76Å |
| 71 | K | 96.3 | Very high | 83.6 | Confident | 51 Ų | 51 | 83.2 Ų | 83.2 | 22% | 0.222 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140.3 | 171.6 | 177.3 | 173.7 | -177.4 | 146 | 0 | 109.8 | M57 V58 E59 A64 S65 E66 | M57-K71 WeakPolarHBondContact SD-CE 3.39Å; M57-K71 PolarHBondContact SD-NZ 2.81Å; V58-K71 VanDerWaalsContact O-CA 3.23Å; V58-K71 WeakPolarHBondContact O-CA 3.36Å; E59-K71 HydrophobicContact CG-CB 4.27Å; E59-K71 HydrophobicContact CG-CD 4.08Å; E59-K71 HydrophobicContact CG-CG 3.87Å; E59-K71 WeakPolarHBondContact OE1-CE 3.41Å; E59-K71 IonicContact OE1-NZ 3.47Å; E59-K71 PolarHBondContact OE1-NZ 3.45Å; A64-K71 HydrophobicContact CB-CB 4.16Å; S65-K71 PolarHBondContact O-N 2.92Å; E66-K71 WeakPolarHBondContact CA-O 3.43Å; E66-K71 HydrophobicContact CG-CB 4.33Å; E66-K71 HydrophobicContact CG-CD 4.49Å; E66-K71 HydrophobicContact CG-CG 4.17Å |
| 72 | A | 94.7 | Very high | 81.6 | Confident | 20 Ų | 20 | 83.7 Ų | 83.7 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | M57 V58 F74 W85 | M57-A72 VanDerWaalsContact CA-O 3.31Å; M57-A72 WeakPolarHBondContact CA-O 3.4Å; V58-A72 HydrophobicContact CG2-CB 3.78Å; V58-A72 PolarHBondContact N-O 2.83Å; V58-A72 PolarHBondContact O-N 3.16Å; A72-F74 HydrophobicContact CB-CD1 4.29Å; A72-W85 HydrophobicContact CB-CB 4.13Å; A72-W85 HydrophobicContact CB-CG 3.88Å |
| 73 | V | 92.6 | Very high | 80.6 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 32% | 0.315 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 122.2 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 108 | I55 F56 M57 | I55-V73 HydrophobicContact CG2-CG1 3.47Å; I55-V73 VanDerWaalsContact CG2-CG1 3.47Å; F56-V73 WeakPolarHBondContact O-CA 3.04Å; M57-V73 HydrophobicContact CB-CG2 4.45Å; M57-V73 HydrophobicContact CE-CG2 3.58Å; M57-V73 HydrophobicContact CG-CG2 4.12Å |
| 74 | F | 91.4 | Very high | 80.4 | Confident | 17 Ų | 17 | 83.3 Ų | 83.3 | 8% | 0.075 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 154 | -171.9 | 53.7 | -78.5 | 0 | 0 | 0 | 109.9 | I55 F56 V58 A72 W85 T86 A87 L101 | I55-F74 CarbonylContact C-O 3.44Å; I55-F74 WeakPolarHBondContact CA-O 3.4Å; F56-F74 HydrophobicContact CB-CD1 4.46Å; F56-F74 HydrophobicContact CB-CD2 4.09Å; F56-F74 HydrophobicContact CB-CE1 4.06Å; F56-F74 HydrophobicContact CB-CE2 3.7Å; F56-F74 HydrophobicContact CB-CG 4.46Å; F56-F74 HydrophobicContact CB-CZ 3.67Å; F56-F74 HydrophobicContact CG-CE2 4.33Å; F56-F74 PolarHBondContact N-O 3.39Å; F56-F74 PolarHBondContact O-N 3.26Å; V58-F74 HydrophobicContact CB-CE1 4.45Å; V58-F74 HydrophobicContact CG1-CE1 3.88Å; V58-F74 HydrophobicContact CG1-CZ 4Å; V58-F74 HydrophobicContact CG2-CE1 3.93Å; A72-F74 HydrophobicContact CB-CD1 4.29Å; F74-W85 HydrophobicContact CB-CB 4.49Å; F74-W85 VanDerWaalsContact CB-O 3.28Å; F74-W85 WeakPolarHBondContact CB-O 3.4Å; F74-W85 HydrophobicContact CD1-CB 3.45Å; F74-W85 VanDerWaalsContact CD1-CB 3.45Å; F74-W85 HydrophobicContact CD1-CG 4.3Å; F74-W85 HydrophobicContact CD2-CB 4.21Å; F74-W85 HydrophobicContact CE1-CB 3.55Å; F74-W85 HydrophobicContact CE1-CD2 4.29Å; F74-W85 HydrophobicContact CE1-CE3 4.27Å; F74-W85 HydrophobicContact CE1-CG 4.04Å; F74-W85 HydrophobicContact CE2-CB 4.25Å; F74-W85 HydrophobicContact CG-CB 3.82Å; F74-W85 HydrophobicContact CZ-CB 3.96Å; F74-W85 HydrophobicContact CZ-CD2 4.43Å; F74-W85 AromaticContact CZ-CE3 3.97Å; F74-W85 HydrophobicContact CZ-CE3 3.97Å; F74-W85 HydrophobicContact CZ-CG 4.48Å; F74-T86 WeakPolarHBondContact CE2-O 3.48Å; F74-A87 HydrophobicContact CD2-CB 3.75Å; F74-A87 HydrophobicContact CE2-CB 3.88Å; F74-L101 HydrophobicContact CE2-CD2 4.07Å |
| 75 | Q | 88.2 | Confident | 80.4 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 160.3 | -172.6 | 66.8 | -176.9 | -6.3 | 0 | 0 | 111.3 | T53 F54 I55 S77 | T53-Q75 HydrophobicContact CG2-CB 3.8Å; T53-Q75 HydrophobicContact CG2-CG 4.35Å; F54-Q75 VanDerWaalsContact O-CA 3.32Å; F54-Q75 WeakPolarHBondContact O-CA 3.47Å; I55-Q75 HydrophobicContact CG1-CB 4.18Å; Q75-S77 PolarHBondContact O-N 2.83Å; Q75-S77 VanDerWaalsContact O-N 3.16Å |
| 76 | T | 82 | Confident | 80.3 | Confident | 18 Ų | 18 | 83 Ų | 83 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 111.2 | 172.2 | 52 | 0 | 0 | 0 | 0 | 110.4 | F54 F56 A87 K89 V99 | F54-T76 HydrophobicContact CB-CG2 3.89Å; F54-T76 PolarHBondContact N-OG1 3.31Å; F54-T76 PolarHBondContact O-N 3.17Å; F56-T76 HydrophobicContact CE2-CG2 3.85Å; T76-A87 WeakPolarHBondContact CA-O 3.49Å; T76-A87 HydrophobicContact CG2-CB 4.19Å; T76-K89 HydrophobicContact CG2-CG 4.03Å; T76-V99 HydrophobicContact CG2-CG1 4.27Å |
| 77 | S | 75.9 | Confident | 80.3 | Confident | 64 Ų | 64 | 77.6 Ų | 77.6 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | trans | -130.7 | 170.1 | 171.2 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | Q75 A87 | Q75-S77 PolarHBondContact O-N 2.83Å; Q75-S77 VanDerWaalsContact O-N 3.16Å; S77-A87 PolarHBondContact N-O 3.46Å; S77-A87 VanDerWaalsContact N-O 3.16Å | ||
| 78 | E | 55.8 | Low | 80.2 | Confident | 180 Ų | 180 | 73.7 Ų | 73.7 | 84% | 0.841 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -59.7 | 143.4 | 166.2 | -68.4 | -177.4 | 173.9 | 0 | 0 | 108.9 | E80 | E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 3.15Å |
| 79 | L | 53.7 | Low | 80 | Confident | 134 Ų | 134 | 75.3 Ų | 75.3 | 70% | 0.702 | 40% | 0.399 | S | S | * | . | trans | -60.5 | 83.7 | -172.7 | -80.2 | 152.1 | 0 | 0 | 0 | 111.5 | A88 | L79-A88 HydrophobicContact CD1-CB 4.1Å; L79-A88 HydrophobicContact CD2-CB 3.86Å; L79-A88 HydrophobicContact CG-CB 3.64Å | ||
| 80 | E | 49 | Very low | 79.8 | Confident | 162 Ų | 162 | 72.1 Ų | 72.1 | 76% | 0.757 | 38% | 0.384 | S | S | * | . | trans | -80.9 | 132.8 | 161.5 | -67.4 | -169.4 | 168.1 | 0 | 0 | 108.8 | E78 G82 | E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 3.15Å; E80-G82 PolarHBondContact O-N 3.17Å | ||
| 81 | L | 50 | Low | 79.3 | Confident | 191 Ų | 191 | 74.3 Ų | 74.3 | 100% | 1 | 40% | 0.403 | S | S | * | . | trans | -65.6 | 85 | 165.4 | -104.2 | 86.4 | 0 | 0 | 0 | 108 | ||||
| 82 | G | 52.5 | Low | 78.8 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 51% | 0.505 | 41% | 0.413 | S | S | . | . | trans | -93.7 | 155.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E80 G84 | E80-G82 PolarHBondContact O-N 3.17Å; G82-G84 PolarHBondContact O-N 2.59Å; G82-G84 VanDerWaalsContact O-N 3.1Å | ||
| 83 | E | 67.4 | Low | 78.4 | Confident | 193 Ų | 193 | 80.1 Ų | 80.1 | 90% | 0.902 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -71 | 4 | 176.1 | -61.6 | -174.5 | 148.7 | 0 | 0 | 113.9 | P104 | E83-P104 WeakPolarHBondContact O-CB 3.42Š|
| 84 | G | 85.5 | Confident | 78.1 | Confident | 35 Ų | 35 | 85.2 Ų | 85.2 | 36% | 0.361 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -128.3 | -169 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114 | G82 | G82-G84 PolarHBondContact O-N 2.59Å; G82-G84 VanDerWaalsContact O-N 3.1Å |
| 85 | W | 92.9 | Very high | 78 | Confident | 26 Ų | 26 | 87.4 Ų | 87.4 | 10% | 0.098 | 47% | 0.466 | C | S | . | . | trans | -69.4 | 136.2 | 175.5 | -73.8 | 82.6 | 0 | 0 | 0 | 111.2 | F38 V58 A72 F74 A102 S103 A107 Y112 F132 L134 | F38-W85 HydrophobicContact CE1-CZ3 4.33Å; V58-W85 HydrophobicContact CG1-CE3 4.31Å; V58-W85 HydrophobicContact CG1-CH2 4.47Å; V58-W85 HydrophobicContact CG1-CZ3 4.23Å; V58-W85 HydrophobicContact CG2-CD2 3.86Å; V58-W85 HydrophobicContact CG2-CE3 4.36Å; V58-W85 HydrophobicContact CG2-CG 4.15Å; V58-W85 HydrophobicContact CG2-CZ2 4.1Å; A72-W85 HydrophobicContact CB-CB 4.13Å; A72-W85 HydrophobicContact CB-CG 3.88Å; F74-W85 HydrophobicContact CB-CB 4.49Å; F74-W85 VanDerWaalsContact CB-O 3.28Å; F74-W85 WeakPolarHBondContact CB-O 3.4Å; F74-W85 HydrophobicContact CD1-CB 3.45Å; F74-W85 VanDerWaalsContact CD1-CB 3.45Å; F74-W85 HydrophobicContact CD1-CG 4.3Å; F74-W85 HydrophobicContact CD2-CB 4.21Å; F74-W85 HydrophobicContact CE1-CB 3.55Å; F74-W85 HydrophobicContact CE1-CD2 4.29Å; F74-W85 HydrophobicContact CE1-CE3 4.27Å; F74-W85 HydrophobicContact CE1-CG 4.04Å; F74-W85 HydrophobicContact CE2-CB 4.25Å; F74-W85 HydrophobicContact CG-CB 3.82Å; F74-W85 HydrophobicContact CZ-CB 3.96Å; F74-W85 HydrophobicContact CZ-CD2 4.43Å; F74-W85 AromaticContact CZ-CE3 3.97Å; F74-W85 HydrophobicContact CZ-CE3 3.97Å; F74-W85 HydrophobicContact CZ-CG 4.48Å; W85-A102 WeakPolarHBondContact CA-O 3.36Å; W85-S103 VanDerWaalsContact CZ2-CB 3.46Å; W85-S103 VanDerWaalsContact CZ3-CB 3.44Å; W85-A107 HydrophobicContact CZ2-CB 4.34Å; W85-Y112 HydrophobicContact CZ2-CE1 4.08Å; W85-F132 HydrophobicContact CH2-CE2 4.19Å; W85-F132 AromaticContact CH2-CZ 3.87Å; W85-F132 HydrophobicContact CH2-CZ 3.87Å; W85-F132 HydrophobicContact CZ3-CZ 4.25Å; W85-L134 HydrophobicContact CH2-CD2 3.88Å; W85-L134 HydrophobicContact CZ2-CD2 3.83Å | ||
| 86 | T | 92.5 | Very high | 78.1 | Confident | 31 Ų | 31 | 84.9 Ų | 84.9 | 19% | 0.19 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.7 | -179.2 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | F74 L101 A102 | F74-T86 WeakPolarHBondContact CE2-O 3.48Å; T86-L101 WeakPolarHBondContact O-CA 3.11Å; T86-A102 PolarHBondContact N-O 2.83Å; T86-A102 PolarHBondContact O-N 2.87Å; T86-A102 WeakPolarHBondContact OG1-CB 3.3Å |
| 87 | A | 91.9 | Very high | 78.6 | Confident | 3 Ų | 3 | 84 Ų | 84 | 3% | 0.025 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F56 F74 T76 S77 V99 S100 L101 | F56-A87 HydrophobicContact CD2-CB 3.68Å; F56-A87 HydrophobicContact CE2-CB 3.94Å; F74-A87 HydrophobicContact CD2-CB 3.75Å; F74-A87 HydrophobicContact CE2-CB 3.88Å; T76-A87 WeakPolarHBondContact CA-O 3.49Å; T76-A87 HydrophobicContact CG2-CB 4.19Å; S77-A87 PolarHBondContact N-O 3.46Å; S77-A87 VanDerWaalsContact N-O 3.16Å; A87-V99 HydrophobicContact CB-CG1 4.21Å; A87-S100 CarbonylContact C-O 3.52Å; A87-S100 VanDerWaalsContact CA-O 3.28Å; A87-S100 WeakPolarHBondContact CA-O 3.28Å; A87-L101 HydrophobicContact CB-CD2 3.65Å |
| 88 | A | 90.4 | Very high | 79.4 | Confident | 7 Ų | 7 | 82 Ų | 82 | 6% | 0.058 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L79 E90 V99 S100 | L79-A88 HydrophobicContact CD1-CB 4.1Å; L79-A88 HydrophobicContact CD2-CB 3.86Å; L79-A88 HydrophobicContact CG-CB 3.64Å; A88-E90 PolarHBondContact O-N 2.93Å; A88-V99 CarbonylContact O-C 3.51Å; A88-V99 VanDerWaalsContact O-CA 3.31Å; A88-V99 WeakPolarHBondContact O-CA 3.42Å; A88-V99 VanDerWaalsContact O-CG1 3.31Å; A88-V99 WeakPolarHBondContact O-CG1 3.4Å; A88-S100 PolarHBondContact N-O 2.84Å; A88-S100 PolarHBondContact O-N 3.13Å |
| 89 | K | 88.5 | Confident | 81.2 | Confident | 88 Ų | 88 | 73.4 Ų | 73.4 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 116.4 | 173.2 | -64.3 | -179.9 | -179.8 | 176.3 | 0 | 108.1 | E52 T76 L97 | E52-K89 PolarHBondContact O-NZ 2.81Å; E52-K89 VanDerWaalsContact O-NZ 3.11Å; T76-K89 HydrophobicContact CG2-CG 4.03Å; K89-L97 HydrophobicContact CB-CD1 4.44Å; K89-L97 HydrophobicContact CD-CD1 4.41Å; K89-L97 HydrophobicContact CG-CD1 4.22Å |
| 90 | E | 87.6 | Confident | 83.1 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -47.9 | 179.4 | -68.9 | -177.1 | 178.7 | 0 | 0 | 111.6 | S39 A88 T98 S100 | S39-E90 PolarHBondContact OG-OE1 3.13Å; S39-E90 PolarHBondContact OG-OE2 3.21Å; A88-E90 PolarHBondContact O-N 2.93Å; E90-T98 HydrophobicContact CB-CG2 4.2Å; E90-T98 PolarHBondContact N-O 3.45Å; E90-T98 WeakPolarHBondContact OE2-CG2 3.46Å; E90-S100 WeakPolarHBondContact OE1-CB 3.23Å; E90-S100 PolarHBondContact OE1-OG 3.27Å |
| 91 | A | 87 | Confident | 85.3 | Confident | 49 Ų | 49 | 60 Ų | 60 | 41% | 0.405 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 146.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110.7 | T98 | A91-T98 PolarHBondContact N-O 3.23Å; A91-T98 PolarHBondContact O-N 3.21Å |
| 92 | Q | 84.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 51.9 Ų | 51.9 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123 | 172.9 | -179.3 | 179 | -26.1 | 0 | 0 | 109 | P48 T96 L97 | P48-Q92 VanDerWaalsContact CD-NE2 3.3Å; P48-Q92 HydrophobicContact CG-CG 4.41Å; P48-Q92 PolarHBondContact O-NE2 3.44Å; Q92-T96 WeakPolarHBondContact CA-O 3.35Å; Q92-L97 HydrophobicContact CB-CD1 4.26Å |
| 93 | V | 86.9 | Confident | 89.5 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 59% | 0.594 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 109.1 | 175.6 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | N95 T96 | V93-N95 PolarHBondContact O-N 2.85Å; V93-T96 PolarHBondContact N-O 3.39Å; V93-T96 WeakPolarHBondContact O-CA 3.42Å; V93-T96 WeakPolarHBondContact O-CB 3.47Å; V93-T96 PolarHBondContact O-N 3.1Å |
| 94 | E | 86.8 | Confident | 90.9 | Very high | 159 Ų | 159 | 41.3 Ų | 41.3 | 74% | 0.743 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -110.9 | -176.3 | -57.5 | -179.3 | 169.4 | 0 | 0 | 112.3 | A47 | A47-E94 WeakPolarHBondContact CA-O 3.31Å; A47-E94 VanDerWaalsContact CB-O 3.3Å; A47-E94 WeakPolarHBondContact CB-O 3.18Å |
| 95 | N | 88.8 | Confident | 91.4 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 2.8 | -179.9 | -64.2 | -13.7 | 0 | 0 | 0 | 112.9 | L44 R46 A47 V93 | L44-N95 WeakPolarHBondContact CA-O 3.44Å; L44-N95 VanDerWaalsContact CB-O 3.22Å; L44-N95 WeakPolarHBondContact CB-O 3.18Å; L44-N95 WeakPolarHBondContact CG-O 3.38Å; L44-N95 PolarHBondContact N-O 2.88Å; L44-N95 WeakPolarHBondContact O-CB 3.47Å; R46-N95 WeakPolarHBondContact CA-OD1 3.48Å; A47-N95 PolarHBondContact N-OD1 3.48Å; V93-N95 PolarHBondContact O-N 2.85Å |
| 96 | T | 91 | Very high | 91.5 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.4 | -177.1 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | T41 L42 Q92 V93 | T41-T96 HydrophobicContact CG2-CG2 3.24Å; L42-T96 WeakPolarHBondContact O-CA 3.49Å; Q92-T96 WeakPolarHBondContact CA-O 3.35Å; V93-T96 PolarHBondContact N-O 3.39Å; V93-T96 WeakPolarHBondContact O-CA 3.42Å; V93-T96 WeakPolarHBondContact O-CB 3.47Å; V93-T96 PolarHBondContact O-N 3.1Å |
| 97 | L | 91.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.9 | 177.8 | 177.5 | 67.8 | 0 | 0 | 0 | 109.7 | L42 L44 F54 K89 Q92 V99 | L42-L97 PolarHBondContact N-O 2.9Å; L42-L97 PolarHBondContact O-N 2.65Å; L44-L97 HydrophobicContact CD1-CB 3.95Å; F54-L97 HydrophobicContact CD1-CD2 4.35Å; F54-L97 HydrophobicContact CD2-CD2 3.74Å; F54-L97 HydrophobicContact CE1-CD2 3.98Å; F54-L97 HydrophobicContact CE2-CD2 3.36Å; F54-L97 HydrophobicContact CG-CD2 4.22Å; F54-L97 HydrophobicContact CZ-CD2 3.49Å; F54-L97 VanDerWaalsContact CZ-CD2 3.49Å; K89-L97 HydrophobicContact CB-CD1 4.44Å; K89-L97 HydrophobicContact CD-CD1 4.41Å; K89-L97 HydrophobicContact CG-CD1 4.22Å; Q92-L97 HydrophobicContact CB-CD1 4.26Å; L97-V99 HydrophobicContact CD1-CG2 4.48Å; L97-V99 HydrophobicContact CD2-CG2 3.75Å; L97-V99 HydrophobicContact CG-CG2 3.7Å |
| 98 | T | 93.4 | Very high | 92 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.4 | 170.3 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | L40 T41 E90 A91 | L40-T98 WeakPolarHBondContact O-CA 3.21Å; T41-T98 PolarHBondContact OG1-OG1 3.05Å; E90-T98 HydrophobicContact CB-CG2 4.2Å; E90-T98 PolarHBondContact N-O 3.45Å; E90-T98 WeakPolarHBondContact OE2-CG2 3.46Å; A91-T98 PolarHBondContact N-O 3.23Å; A91-T98 PolarHBondContact O-N 3.21Å |
| 99 | V | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.6 | -178.2 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | S39 L40 L42 F56 T76 A87 A88 L97 L101 | S39-V99 CarbonylContact C-O 3.49Å; S39-V99 WeakPolarHBondContact CA-O 3.38Å; L40-V99 HydrophobicContact CD1-CB 4.03Å; L40-V99 PolarHBondContact N-O 3.06Å; L40-V99 PolarHBondContact O-N 3.47Å; L42-V99 HydrophobicContact CD1-CG2 4.26Å; F56-V99 HydrophobicContact CE2-CG1 3.87Å; F56-V99 HydrophobicContact CZ-CB 4.29Å; F56-V99 HydrophobicContact CZ-CG1 3.9Å; F56-V99 HydrophobicContact CZ-CG2 4.16Å; T76-V99 HydrophobicContact CG2-CG1 4.27Å; A87-V99 HydrophobicContact CB-CG1 4.21Å; A88-V99 CarbonylContact O-C 3.51Å; A88-V99 VanDerWaalsContact O-CA 3.31Å; A88-V99 WeakPolarHBondContact O-CA 3.42Å; A88-V99 VanDerWaalsContact O-CG1 3.31Å; A88-V99 WeakPolarHBondContact O-CG1 3.4Å; L97-V99 HydrophobicContact CD1-CG2 4.48Å; L97-V99 HydrophobicContact CD2-CG2 3.75Å; L97-V99 HydrophobicContact CG-CG2 3.7Å; V99-L101 HydrophobicContact CG1-CD2 3.79Å |
| 100 | S | 94.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.4 | 166.8 | -136.9 | 0 | 0 | 0 | 0 | 108.9 | A87 A88 E90 | A87-S100 CarbonylContact C-O 3.52Å; A87-S100 VanDerWaalsContact CA-O 3.28Å; A87-S100 WeakPolarHBondContact CA-O 3.28Å; A88-S100 PolarHBondContact N-O 2.84Å; A88-S100 PolarHBondContact O-N 3.13Å; E90-S100 WeakPolarHBondContact OE1-CB 3.23Å; E90-S100 PolarHBondContact OE1-OG 3.27Å |
| 101 | L | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 141.5 | 168.1 | -53.5 | -168.7 | 0 | 0 | 0 | 109 | S37 F38 L40 F56 F74 T86 A87 V99 L114 | S37-L101 CarbonylContact C-O 3.51Å; S37-L101 WeakPolarHBondContact CA-O 3.46Å; F38-L101 HydrophobicContact CE1-CB 4.03Å; F38-L101 HydrophobicContact CE2-CB 4.1Å; F38-L101 HydrophobicContact CE2-CD1 4.01Å; F38-L101 HydrophobicContact CE2-CG 4.36Å; F38-L101 HydrophobicContact CZ-CB 3.82Å; F38-L101 HydrophobicContact CZ-CD1 3.97Å; F38-L101 HydrophobicContact CZ-CG 4.4Å; F38-L101 PolarHBondContact N-O 2.85Å; F38-L101 PolarHBondContact O-N 2.55Å; L40-L101 HydrophobicContact CD2-CD1 3.42Å; L40-L101 VanDerWaalsContact CD2-CD1 3.42Å; L40-L101 HydrophobicContact CD2-CD2 4.47Å; L40-L101 HydrophobicContact CD2-CG 3.69Å; L40-L101 HydrophobicContact CG-CG 4.39Å; F56-L101 HydrophobicContact CD1-CD1 4.5Å; F56-L101 HydrophobicContact CD1-CD2 4.28Å; F56-L101 HydrophobicContact CD2-CD2 4.13Å; F56-L101 HydrophobicContact CE1-CD2 4.3Å; F56-L101 HydrophobicContact CE2-CD2 4.16Å; F56-L101 HydrophobicContact CG-CD2 4.19Å; F56-L101 HydrophobicContact CZ-CD2 4.25Å; F74-L101 HydrophobicContact CE2-CD2 4.07Å; T86-L101 WeakPolarHBondContact O-CA 3.11Å; A87-L101 HydrophobicContact CB-CD2 3.65Å; V99-L101 HydrophobicContact CG1-CD2 3.79Å; L101-L114 HydrophobicContact CD1-CD1 3.97Å; L101-L114 HydrophobicContact CD1-CD2 3.9Å |
| 102 | A | 93.9 | Very high | 93.8 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 17% | 0.174 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | W85 T86 | W85-A102 WeakPolarHBondContact CA-O 3.36Å; T86-A102 PolarHBondContact N-O 2.83Å; T86-A102 PolarHBondContact O-N 2.87Å; T86-A102 WeakPolarHBondContact OG1-CB 3.3Å |
| 103 | S | 96.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 34 Ų | 34 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | trans | -93.5 | 156.5 | 171.1 | 89.5 | 0 | 0 | 0 | 0 | 110.1 | R34 G35 W85 | R34-S103 WeakPolarHBondContact CA-OG 3.3Å; R34-S103 WeakPolarHBondContact CB-OG 3.41Å; G35-S103 VanDerWaalsContact CA-O 3.27Å; G35-S103 WeakPolarHBondContact CA-O 3.31Å; G35-S103 PolarHBondContact N-O 2.86Å; G35-S103 PolarHBondContact N-OG 3.08Å; W85-S103 VanDerWaalsContact CZ2-CB 3.46Å; W85-S103 VanDerWaalsContact CZ3-CB 3.44Å | ||
| 104 | P | 95.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | trans | -67.9 | 156.5 | 167.5 | 31.7 | -35.2 | 0 | 0 | 0 | 110.7 | G35 E83 N106 A107 | G35-P104 PolarHBondContact N-O 3.21Å; E83-P104 WeakPolarHBondContact O-CB 3.42Å; P104-N106 WeakPolarHBondContact CB-OD1 3.29Å; P104-N106 PolarHBondContact O-N 2.72Å; P104-A107 HydrophobicContact CG-CB 4.09Å; P104-A107 WeakPolarHBondContact O-CB 3.5Å; P104-A107 PolarHBondContact O-N 2.88Å | ||
| 105 | P | 96.3 | Very high | 95.3 | Very high | 38 Ų | 38 | 22.1 Ų | 22.1 | 25% | 0.247 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.2 | -179.1 | 28.5 | -35.7 | 0 | 0 | 0 | 113.1 | R34 E142 | R34-P105 WeakPolarHBondContact CD-O 3.42Å; R34-P105 WeakPolarHBondContact CG-O 2.92Å; R34-P105 PolarHBondContact NE-O 3.13Å; R34-P105 PolarHBondContact NH2-O 3.38Å; P105-E142 HydrophobicContact CB-CB 3.88Å; P105-E142 HydrophobicContact CG-CB 3.76Å |
| 106 | N | 95.4 | Very high | 95.5 | Very high | 90 Ų | 90 | 19.4 Ų | 19.4 | 48% | 0.481 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 20.4 | 173.8 | 68.4 | -12 | 0 | 0 | 0 | 112.7 | P104 H212 | P104-N106 WeakPolarHBondContact CB-OD1 3.29Å; P104-N106 PolarHBondContact O-N 2.72Å; N106-H212 WeakPolarHBondContact O-CB 3.21Å |
| 107 | A | 97.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 4% | 0.041 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 145.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R34 W85 P104 L134 | R34-A107 HydrophobicContact CB-CB 4.12Å; R34-A107 VanDerWaalsContact CD-O 3.32Å; R34-A107 WeakPolarHBondContact CD-O 3.02Å; R34-A107 PolarHBondContact NH1-O 2.81Å; W85-A107 HydrophobicContact CZ2-CB 4.34Å; P104-A107 HydrophobicContact CG-CB 4.09Å; P104-A107 WeakPolarHBondContact O-CB 3.5Å; P104-A107 PolarHBondContact O-N 2.88Å; A107-L134 HydrophobicContact CB-CD2 3.64Å |
| 108 | V | 98 | Very high | 94.9 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 135.2 | 172.1 | 168.2 | 0 | 0 | 0 | 0 | 109.7 | T60 T70 Y112 V208 R211 H212 | T60-V108 HydrophobicContact CG2-CB 4.31Å; T60-V108 HydrophobicContact CG2-CG1 3.93Å; T70-V108 HydrophobicContact CG2-CG2 4.47Å; V108-Y112 WeakPolarHBondContact CB-OH 3.24Å; V108-Y112 WeakPolarHBondContact O-CE2 3.47Å; V108-Y112 PolarHBondContact O-OH 3.35Å; V108-V208 HydrophobicContact CG1-CG1 3.98Å; V108-V208 WeakPolarHBondContact CG1-O 3.45Å; V108-R211 HydrophobicContact CG1-CB 4.12Å; V108-H212 HydrophobicContact CG2-CB 4.06Å |
| 109 | I | 98.6 | Very high | 94 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 154 | 174 | 69.7 | 154.4 | 0 | 0 | 0 | 111.6 | L134 F136 L194 R211 L288 | I109-L134 CarbonylContact C-O 3.53Å; I109-L134 WeakPolarHBondContact CA-O 3.49Å; I109-L134 WeakPolarHBondContact CB-O 3.44Å; I109-F136 HydrophobicContact CD1-CD2 3.83Å; I109-F136 HydrophobicContact CD1-CE2 3.5Å; I109-F136 VanDerWaalsContact CD1-CE2 3.5Å; I109-F136 HydrophobicContact CD1-CZ 4.42Å; I109-F136 HydrophobicContact CG1-CD2 4.46Å; I109-F136 HydrophobicContact CG1-CE2 3.98Å; I109-F136 HydrophobicContact CG1-CZ 4.47Å; I109-F136 HydrophobicContact CG2-CD1 4.14Å; I109-F136 HydrophobicContact CG2-CD2 3.75Å; I109-F136 HydrophobicContact CG2-CE1 4.2Å; I109-F136 HydrophobicContact CG2-CE2 3.82Å; I109-F136 HydrophobicContact CG2-CG 3.9Å; I109-F136 HydrophobicContact CG2-CZ 4.04Å; I109-L194 HydrophobicContact CD1-CD1 4.35Å; I109-R211 HydrophobicContact CG1-CB 4.14Å; I109-R211 WeakPolarHBondContact CG1-O 3.46Å; I109-R211 PolarHBondContact N-O 3.4Å; I109-L288 HydrophobicContact CD1-CB 4.15Å; I109-L288 HydrophobicContact CD1-CD1 4.28Å; I109-L288 HydrophobicContact CD1-CD2 4.07Å; I109-L288 HydrophobicContact CD1-CG 4.38Å |
| 110 | G | 97.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.2 | -160.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V133 L134 | G110-V133 WeakPolarHBondContact O-CA 3.38Å; G110-L134 PolarHBondContact N-O 3.39Å; G110-L134 PolarHBondContact O-N 2.88Å |
| 111 | R | 97.6 | Very high | 91.1 | Very high | 79 Ų | 79 | 29.5 Ų | 29.5 | 30% | 0.298 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.7 | 179.7 | -76.1 | 168.3 | 169.1 | -78.2 | -13.1 | 110.7 | E29 T60 E131 V133 N188 L191 | E29-R111 IonicContact OE1-CZ 2.7Å; E29-R111 IonicContact OE1-NH1 3Å; E29-R111 PolarHBondContact OE1-NH1 2.88Å; E29-R111 IonicContact OE1-NH2 3.26Å; E29-R111 IonicContact OE2-CZ 3.6Å; E29-R111 IonicContact OE2-NH1 2.75Å; E29-R111 PolarHBondContact OE2-NH1 3.49Å; E29-R111 IonicContact OE2-NH2 2.72Å; E29-R111 PolarHBondContact OE2-NH2 3.25Å; T60-R111 PolarHBondContact OG1-O 3.49Å; T60-R111 VanDerWaalsContact OG1-O 3.08Å; R111-E131 IonicContact NH1-OE2 2.7Å; R111-V133 HydrophobicContact CG-CG2 4.07Å; R111-N188 PolarHBondContact NH2-OD1 3.03Å; R111-L191 HydrophobicContact CG-CD1 4.11Å |
| 112 | Y | 97.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.1 | 177.6 | -83.2 | -94.8 | 0 | 0 | 0 | 111.7 | V58 E59 T60 W85 V108 E131 F132 L134 | V58-Y112 HydrophobicContact CB-CD1 3.93Å; V58-Y112 HydrophobicContact CB-CE1 4.38Å; V58-Y112 HydrophobicContact CG2-CD1 4.44Å; V58-Y112 HydrophobicContact CG2-CE1 4.4Å; E59-Y112 CarbonylContact O-C 3.55Å; E59-Y112 WeakPolarHBondContact O-CA 3Å; T60-Y112 HydrophobicContact CG2-CD1 4.23Å; T60-Y112 HydrophobicContact CG2-CE1 3.55Å; T60-Y112 HydrophobicContact CG2-CE2 4.09Å; T60-Y112 VanDerWaalsContact CG2-CZ 3.47Å; W85-Y112 HydrophobicContact CZ2-CE1 4.08Å; V108-Y112 WeakPolarHBondContact CB-OH 3.24Å; V108-Y112 WeakPolarHBondContact O-CE2 3.47Å; V108-Y112 PolarHBondContact O-OH 3.35Å; Y112-E131 CarbonylContact O-C 3.54Å; Y112-E131 WeakPolarHBondContact O-CA 3.5Å; Y112-F132 VanDerWaalsContact CB-CE1 3.46Å; Y112-F132 VanDerWaalsContact CB-CZ 3.44Å; Y112-F132 HydrophobicContact CD1-CZ 4.45Å; Y112-F132 HydrophobicContact CD2-CE2 4.36Å; Y112-F132 HydrophobicContact CD2-CZ 4.44Å; Y112-F132 HydrophobicContact CG-CE1 4.36Å; Y112-F132 HydrophobicContact CG-CE2 4.25Å; Y112-F132 AromaticContact CG-CZ 3.89Å; Y112-F132 HydrophobicContact CG-CZ 3.89Å; Y112-F132 PolarHBondContact N-O 3.14Å; Y112-F132 PolarHBondContact O-N 2.8Å; Y112-L134 HydrophobicContact CD2-CB 3.82Å; Y112-L134 HydrophobicContact CD2-CD2 4.45Å; Y112-L134 HydrophobicContact CE2-CB 3.8Å; Y112-L134 HydrophobicContact CE2-CD2 3.85Å; Y112-L134 HydrophobicContact CE2-CG 4.5Å |
| 113 | L | 97.3 | Very high | 87.3 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.5 | 165.3 | 179.1 | 65.1 | 0 | 0 | 0 | 109.2 | V58 E59 R128 E131 | V58-L113 WeakPolarHBondContact CA-O 3.33Å; E59-L113 PolarHBondContact N-O 3.12Å; E59-L113 PolarHBondContact O-N 2.86Å; L113-R128 HydrophobicContact CD1-CG 3.7Å; L113-E131 HydrophobicContact CD1-CG 4.12Å |
| 114 | L | 97 | Very high | 85.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.3 | 171.8 | -173.5 | 66.5 | 0 | 0 | 0 | 110.3 | W11 L40 F56 V58 L101 L129 G130 F132 | W11-L114 HydrophobicContact CH2-CB 3.88Å; W11-L114 HydrophobicContact CH2-CD2 3.57Å; W11-L114 HydrophobicContact CH2-CG 4.36Å; W11-L114 HydrophobicContact CZ3-CD2 3.8Å; L40-L114 HydrophobicContact CD2-CD2 3.74Å; F56-L114 HydrophobicContact CB-CD1 4.49Å; F56-L114 HydrophobicContact CD1-CD1 4.18Å; V58-L114 HydrophobicContact CG1-CD1 3.53Å; L101-L114 HydrophobicContact CD1-CD1 3.97Å; L101-L114 HydrophobicContact CD1-CD2 3.9Å; L114-L129 HydrophobicContact CB-CB 4.47Å; L114-L129 HydrophobicContact CD2-CB 4.37Å; L114-L129 HydrophobicContact CD2-CD1 3.83Å; L114-L129 HydrophobicContact CG-CB 4.36Å; L114-L129 HydrophobicContact CG-CD1 4.07Å; L114-L129 WeakPolarHBondContact O-CB 3.39Å; L114-L129 PolarHBondContact O-N 2.84Å; L114-G130 PolarHBondContact N-O 2.84Å; L114-G130 PolarHBondContact O-N 3.05Å; L114-F132 HydrophobicContact CB-CD1 4.32Å; L114-F132 HydrophobicContact CB-CE1 4.12Å |
| 115 | S | 95.3 | Very high | 84 | Confident | 8 Ų | 8 | 60 Ų | 60 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 157 | 173.6 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | F56 M57 R127 | F56-S115 WeakPolarHBondContact CA-O 3.32Å; M57-S115 PolarHBondContact N-O 2.84Å; M57-S115 PolarHBondContact O-N 2.84Å; S115-R127 CarbonylContact C-O 3.39Å; S115-R127 VanDerWaalsContact CA-O 3.23Å; S115-R127 WeakPolarHBondContact CA-O 3.31Å; S115-R127 WeakPolarHBondContact CB-O 3.37Å |
| 116 | I | 91.6 | Very high | 83.3 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.5 | 178.4 | -160.4 | 171.3 | 0 | 0 | 0 | 110.9 | V6 L42 F54 I55 F56 R127 L129 | V6-I116 HydrophobicContact CG2-CD1 4.44Å; V6-I116 HydrophobicContact CG2-CG2 4.05Å; L42-I116 HydrophobicContact CD1-CD1 3.75Å; F54-I116 HydrophobicContact CB-CD1 4.21Å; F54-I116 HydrophobicContact CD1-CD1 3.68Å; F54-I116 HydrophobicContact CG-CD1 4.4Å; I55-I116 CarbonylContact O-C 3.57Å; I55-I116 WeakPolarHBondContact O-CA 3.4Å; F56-I116 HydrophobicContact CD1-CB 4.44Å; F56-I116 HydrophobicContact CD1-CD1 4.19Å; F56-I116 HydrophobicContact CD1-CG1 4.13Å; F56-I116 HydrophobicContact CE1-CD1 3.54Å; F56-I116 HydrophobicContact CE1-CG1 4Å; F56-I116 HydrophobicContact CE2-CD1 4.46Å; F56-I116 HydrophobicContact CZ-CD1 3.7Å; F56-I116 HydrophobicContact CZ-CG1 4.38Å; I116-R127 HydrophobicContact CG2-CB 4.2Å; I116-R127 PolarHBondContact N-O 2.98Å; I116-R127 PolarHBondContact O-N 2.81Å; I116-L129 HydrophobicContact CB-CD1 3.99Å; I116-L129 HydrophobicContact CB-CD2 4.3Å; I116-L129 HydrophobicContact CB-CG 4.16Å; I116-L129 HydrophobicContact CG2-CD1 4.21Å; I116-L129 HydrophobicContact CG2-CD2 3.6Å; I116-L129 HydrophobicContact CG2-CG 3.98Å |
| 117 | R | 88.1 | Confident | 82.9 | Confident | 91 Ų | 91 | 62 Ų | 62 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 148 | 166.3 | 69.7 | -177.9 | -177.7 | 141.4 | -1.9 | 109.6 | I55 | I55-R117 HydrophobicContact CB-CG 3.61Å; I55-R117 HydrophobicContact CD1-CG 4.25Å; I55-R117 HydrophobicContact CG1-CG 4.42Å; I55-R117 HydrophobicContact CG2-CG 4.06Å; I55-R117 VanDerWaalsContact CG2-NE 3.31Å; I55-R117 PolarHBondContact N-O 3.22Å; I55-R117 PolarHBondContact O-N 2.75Å |
| 118 | L | 81.3 | Confident | 82.7 | Confident | 21 Ų | 21 | 68.6 Ų | 68.6 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 142.3 | 176.7 | -77.9 | 147.4 | 0 | 0 | 0 | 109.6 | I4 F54 S120 H121 | I4-L118 HydrophobicContact CB-CD1 3.74Å; I4-L118 HydrophobicContact CB-CD2 4.36Å; I4-L118 HydrophobicContact CG2-CD1 3.88Å; I4-L118 HydrophobicContact CG2-CD2 4.39Å; I4-L118 WeakPolarHBondContact O-CD1 3.16Å; F54-L118 HydrophobicContact CD1-CD2 3.63Å; F54-L118 HydrophobicContact CD1-CG 4.32Å; F54-L118 HydrophobicContact CE1-CD2 3.45Å; F54-L118 VanDerWaalsContact CE1-CD2 3.45Å; F54-L118 HydrophobicContact CE1-CG 4.36Å; F54-L118 HydrophobicContact CG-CD2 4.32Å; F54-L118 HydrophobicContact CZ-CD2 3.95Å; L118-S120 PolarHBondContact O-N 2.7Å; L118-H121 PolarHBondContact O-N 3.47Å |
| 119 | S | 74.6 | Confident | 82.5 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.5 | 176.5 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | T53 H121 | T53-S119 PolarHBondContact N-OG 3.29Å; T53-S119 PolarHBondContact O-N 2.8Å; T53-S119 VanDerWaalsContact O-N 3.09Å; S119-H121 VanDerWaalsContact C-N 3.34Å; S119-H121 PolarHBondContact O-N 3.16Å |
| 120 | S | 65.8 | Low | 82.3 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.5 | -175.3 | 59.5 | 0 | 0 | 0 | 0 | 115.3 | E52 L118 | E52-S120 PolarHBondContact OE1-OG 3.09Å; L118-S120 PolarHBondContact O-N 2.7Å |
| 121 | H | 62.3 | Low | 82.2 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | trans | -89.7 | 115.8 | 179.8 | -89.7 | -87.3 | 0 | 0 | 0 | 112.6 | I4 L118 S119 K123 | I4-H121 PolarHBondContact O-NE2 2.91Å; L118-H121 PolarHBondContact O-N 3.47Å; S119-H121 VanDerWaalsContact C-N 3.34Å; S119-H121 PolarHBondContact O-N 3.16Å; H121-K123 PolarHBondContact O-N 3.11Å | ||
| 122 | R | 53.3 | Low | 82.2 | Confident | 252 Ų | 252 | 69.5 Ų | 69.5 | 95% | 0.951 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -66.8 | -11.8 | 174.3 | -69.1 | -173.6 | 179.4 | -173.7 | -0.5 | 114.6 | ||
| 123 | K | 54.8 | Low | 82.3 | Confident | 173 Ų | 173 | 69.4 Ų | 69.4 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -106.9 | 120.9 | 173.9 | -78.1 | -173.9 | 176 | -177 | 0 | 109.1 | H121 S125 | H121-K123 PolarHBondContact O-N 3.11Å; K123-S125 PolarHBondContact O-N 3.48Å |
| 124 | H | 56.8 | Low | 82.3 | Confident | 166 Ų | 166 | 67.2 Ų | 67.2 | 77% | 0.769 | 32% | 0.317 | S | S | * | . | trans | -69.2 | 40.4 | 179.7 | -60.6 | -73 | 0 | 0 | 0 | 114.5 | N126 | H124-N126 PolarHBondContact O-N 3.21Š| ||
| 125 | S | 67.1 | Low | 82.4 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | trans | -87.8 | 104.6 | 176 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | K123 | K123-S125 PolarHBondContact O-N 3.48Š| ||
| 126 | N | 80.6 | Confident | 82.6 | Confident | 67 Ų | 67 | 66.9 Ų | 66.9 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -64 | 132.9 | 170.5 | -65.3 | -16.1 | 0 | 0 | 0 | 109.5 | M57 H124 | M57-N126 VanDerWaalsContact CE-ND2 3.3Å; M57-N126 WeakPolarHBondContact CE-ND2 3.25Å; M57-N126 PolarHBondContact SD-ND2 2.93Å; H124-N126 PolarHBondContact O-N 3.21Å |
| 127 | R | 87.8 | Confident | 82.9 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125 | 173.8 | 178.7 | 175.5 | 178.5 | 150.9 | -9.4 | 109.9 | V6 S115 I116 L129 | V6-R127 PolarHBondContact O-NH1 2.82Å; V6-R127 PolarHBondContact O-NH2 3.16Å; S115-R127 CarbonylContact C-O 3.39Å; S115-R127 VanDerWaalsContact CA-O 3.23Å; S115-R127 WeakPolarHBondContact CA-O 3.31Å; S115-R127 WeakPolarHBondContact CB-O 3.37Å; I116-R127 HydrophobicContact CG2-CB 4.2Å; I116-R127 PolarHBondContact N-O 2.98Å; I116-R127 PolarHBondContact O-N 2.81Å; R127-L129 PolarHBondContact O-N 2.88Å |
| 128 | R | 92.9 | Very high | 83.4 | Confident | 143 Ų | 143 | 62.3 Ų | 62.3 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 127 | 171 | 178.8 | 169.8 | -178.9 | 168.3 | 3.7 | 110.8 | L113 E131 | L113-R128 HydrophobicContact CD1-CG 3.7Å; R128-E131 IonicContact CZ-OE1 3.33Å; R128-E131 VanDerWaalsContact NH2-CD 3.26Å; R128-E131 IonicContact NH2-OE1 3Å; R128-E131 PolarHBondContact NH2-OE1 3.17Å |
| 129 | L | 93.8 | Very high | 84.2 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -39.9 | 173.8 | -63.4 | -170.6 | 0 | 0 | 0 | 111.7 | V6 V9 W11 L42 F56 L114 I116 R127 | V6-L129 HydrophobicContact CB-CD2 4.43Å; V6-L129 HydrophobicContact CG1-CD2 4.16Å; V6-L129 HydrophobicContact CG2-CD2 4.32Å; V9-L129 HydrophobicContact CG2-CB 4.13Å; V9-L129 HydrophobicContact CG2-CD2 3.72Å; V9-L129 HydrophobicContact CG2-CG 4.38Å; W11-L129 HydrophobicContact CZ2-CB 4.36Å; L42-L129 HydrophobicContact CD2-CD1 4.06Å; F56-L129 HydrophobicContact CE1-CD1 4.2Å; L114-L129 HydrophobicContact CB-CB 4.47Å; L114-L129 HydrophobicContact CD2-CB 4.37Å; L114-L129 HydrophobicContact CD2-CD1 3.83Å; L114-L129 HydrophobicContact CG-CB 4.36Å; L114-L129 HydrophobicContact CG-CD1 4.07Å; L114-L129 WeakPolarHBondContact O-CB 3.39Å; L114-L129 PolarHBondContact O-N 2.84Å; I116-L129 HydrophobicContact CB-CD1 3.99Å; I116-L129 HydrophobicContact CB-CD2 4.3Å; I116-L129 HydrophobicContact CB-CG 4.16Å; I116-L129 HydrophobicContact CG2-CD1 4.21Å; I116-L129 HydrophobicContact CG2-CD2 3.6Å; I116-L129 HydrophobicContact CG2-CG 3.98Å; R127-L129 PolarHBondContact O-N 2.88Å |
| 130 | G | 94.9 | Very high | 85.3 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.6 | -169 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L114 | L114-G130 PolarHBondContact N-O 2.84Å; L114-G130 PolarHBondContact O-N 3.05Å |
| 131 | E | 95.9 | Very high | 86.8 | Confident | 68 Ų | 68 | 60.8 Ų | 60.8 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 150.7 | 178.6 | -68.3 | 178.5 | -171.5 | 0 | 0 | 111.2 | R111 Y112 L113 R128 | R111-E131 IonicContact NH1-OE2 2.7Å; Y112-E131 CarbonylContact O-C 3.54Å; Y112-E131 WeakPolarHBondContact O-CA 3.5Å; L113-E131 HydrophobicContact CD1-CG 4.12Å; R128-E131 IonicContact CZ-OE1 3.33Å; R128-E131 VanDerWaalsContact NH2-CD 3.26Å; R128-E131 IonicContact NH2-OE1 3Å; R128-E131 PolarHBondContact NH2-OE1 3.17Å |
| 132 | F | 97.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 161.3 | 172.6 | 69.6 | -84.4 | 0 | 0 | 0 | 110.1 | W11 L30 V32 F38 V58 W85 Y112 L114 L134 | W11-F132 HydrophobicContact CH2-CD1 4.34Å; W11-F132 HydrophobicContact CZ3-CB 4.41Å; W11-F132 HydrophobicContact CZ3-CD1 4.2Å; L30-F132 HydrophobicContact CB-CB 4.03Å; L30-F132 HydrophobicContact CG-CB 4.46Å; L30-F132 CarbonylContact O-C 3.6Å; L30-F132 VanDerWaalsContact O-CA 3.32Å; L30-F132 WeakPolarHBondContact O-CA 3.48Å; L30-F132 WeakPolarHBondContact O-CB 3.39Å; V32-F132 HydrophobicContact CG2-CD2 3.79Å; V32-F132 HydrophobicContact CG2-CE2 4.16Å; F38-F132 HydrophobicContact CZ-CE2 4.18Å; F38-F132 HydrophobicContact CZ-CZ 4.21Å; V58-F132 HydrophobicContact CG1-CE1 4.38Å; V58-F132 HydrophobicContact CG1-CZ 4.37Å; W85-F132 HydrophobicContact CH2-CE2 4.19Å; W85-F132 AromaticContact CH2-CZ 3.87Å; W85-F132 HydrophobicContact CH2-CZ 3.87Å; W85-F132 HydrophobicContact CZ3-CZ 4.25Å; Y112-F132 VanDerWaalsContact CB-CE1 3.46Å; Y112-F132 VanDerWaalsContact CB-CZ 3.44Å; Y112-F132 HydrophobicContact CD1-CZ 4.45Å; Y112-F132 HydrophobicContact CD2-CE2 4.36Å; Y112-F132 HydrophobicContact CD2-CZ 4.44Å; Y112-F132 HydrophobicContact CG-CE1 4.36Å; Y112-F132 HydrophobicContact CG-CE2 4.25Å; Y112-F132 AromaticContact CG-CZ 3.89Å; Y112-F132 HydrophobicContact CG-CZ 3.89Å; Y112-F132 PolarHBondContact N-O 3.14Å; Y112-F132 PolarHBondContact O-N 2.8Å; L114-F132 HydrophobicContact CB-CD1 4.32Å; L114-F132 HydrophobicContact CB-CE1 4.12Å; F132-L134 HydrophobicContact CE2-CB 4.24Å; F132-L134 HydrophobicContact CE2-CD1 4.39Å |
| 133 | V | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.5 | 176 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | L30 V31 V32 G110 R111 L135 L187 L191 | L30-V133 PolarHBondContact O-N 2.95Å; V31-V133 WeakPolarHBondContact CA-O 3.4Å; V31-V133 HydrophobicContact CG1-CB 4.25Å; V31-V133 HydrophobicContact CG1-CG1 4.29Å; V31-V133 HydrophobicContact CG2-CB 4.24Å; V32-V133 PolarHBondContact N-O 2.97Å; G110-V133 WeakPolarHBondContact O-CA 3.38Å; R111-V133 HydrophobicContact CG-CG2 4.07Å; V133-L135 HydrophobicContact CG1-CD2 3.69Å; V133-L135 HydrophobicContact CG1-CG 4.12Å; V133-L187 HydrophobicContact CG1-CD2 4.44Å; V133-L191 HydrophobicContact CG1-CD1 4.05Å; V133-L191 HydrophobicContact CG2-CD1 4.27Å |
| 134 | L | 98.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.7 | 173 | -164.8 | 67.7 | 0 | 0 | 0 | 109.7 | V32 R34 W85 A107 I109 G110 Y112 F132 | V32-L134 HydrophobicContact CG2-CD1 3.84Å; V32-L134 CarbonylContact O-C 3.52Å; V32-L134 WeakPolarHBondContact O-CA 3.44Å; R34-L134 HydrophobicContact CB-CD1 4.26Å; R34-L134 HydrophobicContact CB-CD2 4.08Å; R34-L134 HydrophobicContact CB-CG 4.08Å; W85-L134 HydrophobicContact CH2-CD2 3.88Å; W85-L134 HydrophobicContact CZ2-CD2 3.83Å; A107-L134 HydrophobicContact CB-CD2 3.64Å; I109-L134 CarbonylContact C-O 3.53Å; I109-L134 WeakPolarHBondContact CA-O 3.49Å; I109-L134 WeakPolarHBondContact CB-O 3.44Å; G110-L134 PolarHBondContact N-O 3.39Å; G110-L134 PolarHBondContact O-N 2.88Å; Y112-L134 HydrophobicContact CD2-CB 3.82Å; Y112-L134 HydrophobicContact CD2-CD2 4.45Å; Y112-L134 HydrophobicContact CE2-CB 3.8Å; Y112-L134 HydrophobicContact CE2-CD2 3.85Å; Y112-L134 HydrophobicContact CE2-CG 4.5Å; F132-L134 HydrophobicContact CE2-CB 4.24Å; F132-L134 HydrophobicContact CE2-CD1 4.39Å |
| 135 | L | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 169.4 | -179.8 | -59.4 | -177.2 | 0 | 0 | 0 | 111.9 | Y25 V31 V32 R33 R34 V133 L187 C287 | Y25-L135 HydrophobicContact CE2-CD1 3.93Å; V31-L135 HydrophobicContact CG1-CD1 3.63Å; V31-L135 HydrophobicContact CG1-CG 4.01Å; V32-L135 PolarHBondContact O-N 3.31Å; R33-L135 WeakPolarHBondContact CA-O 3.39Å; R33-L135 HydrophobicContact CG-CB 4.44Å; R34-L135 PolarHBondContact N-O 2.97Å; V133-L135 HydrophobicContact CG1-CD2 3.69Å; V133-L135 HydrophobicContact CG1-CG 4.12Å; L135-L187 HydrophobicContact CD2-CD1 4.15Å; L135-C287 WeakPolarHBondContact CD1-O 3.24Å |
| 136 | F | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -60.3 | 152.4 | 167.4 | -75.4 | -74.6 | 0 | 0 | 0 | 111.2 | R33 R34 I109 P138 V145 P214 V217 L288 G289 I290 | R33-F136 PolarHBondContact NH1-O 3.02Å; R34-F136 VanDerWaalsContact CZ-CE1 3.42Å; R34-F136 VanDerWaalsContact NH2-CD1 3.3Å; R34-F136 VanDerWaalsContact NH2-CE1 3.32Å; I109-F136 HydrophobicContact CD1-CD2 3.83Å; I109-F136 HydrophobicContact CD1-CE2 3.5Å; I109-F136 VanDerWaalsContact CD1-CE2 3.5Å; I109-F136 HydrophobicContact CD1-CZ 4.42Å; I109-F136 HydrophobicContact CG1-CD2 4.46Å; I109-F136 HydrophobicContact CG1-CE2 3.98Å; I109-F136 HydrophobicContact CG1-CZ 4.47Å; I109-F136 HydrophobicContact CG2-CD1 4.14Å; I109-F136 HydrophobicContact CG2-CD2 3.75Å; I109-F136 HydrophobicContact CG2-CE1 4.2Å; I109-F136 HydrophobicContact CG2-CE2 3.82Å; I109-F136 HydrophobicContact CG2-CG 3.9Å; I109-F136 HydrophobicContact CG2-CZ 4.04Å; F136-P138 WeakPolarHBondContact O-CD 3Å; F136-V145 HydrophobicContact CB-CG1 4.33Å; F136-V145 HydrophobicContact CB-CG2 3.77Å; F136-V145 HydrophobicContact CD1-CG1 3.77Å; F136-V145 HydrophobicContact CD1-CG2 4.27Å; F136-V145 HydrophobicContact CE1-CG1 4.34Å; F136-V145 HydrophobicContact CG-CG1 4.14Å; F136-V145 HydrophobicContact CG-CG2 4.4Å; F136-P214 HydrophobicContact CE1-CB 4.16Å; F136-P214 HydrophobicContact CZ-CB 4.24Å; F136-V217 HydrophobicContact CE2-CB 4.29Å; F136-V217 HydrophobicContact CE2-CG1 4.18Å; F136-V217 HydrophobicContact CE2-CG2 4.17Å; F136-V217 HydrophobicContact CZ-CB 4.4Å; F136-V217 HydrophobicContact CZ-CG2 4.07Å; F136-L288 WeakPolarHBondContact CB-O 3.28Å; F136-L288 WeakPolarHBondContact CD2-O 3.43Å; F136-L288 PolarHBondContact N-O 3.37Å; F136-L288 VanDerWaalsContact N-O 3.1Å; F136-G289 WeakPolarHBondContact CB-O 3.4Å; F136-I290 HydrophobicContact CB-CG1 4.4Å; F136-I290 HydrophobicContact CD2-CD1 3.86Å; F136-I290 HydrophobicContact CD2-CG1 3.55Å; F136-I290 HydrophobicContact CE2-CD1 3.73Å; F136-I290 HydrophobicContact CE2-CG1 3.99Å; F136-I290 HydrophobicContact CG-CG1 4.03Å; F136-I290 HydrophobicContact CZ-CD1 4.38Å | ||
| 137 | N | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -122.3 | 89.7 | -175.3 | -161.3 | -5.8 | 0 | 0 | 0 | 114.5 | R33 R34 W139 C140 D143 | R33-N137 HydrophobicContact CB-CB 3.69Å; R34-N137 HydrophobicContact CG-CB 4.23Å; R34-N137 WeakPolarHBondContact O-CB 3.41Å; R34-N137 PolarHBondContact O-ND2 2.87Å; N137-W139 PolarHBondContact O-N 2.77Å; N137-W139 WeakPolarHBondContact OD1-CB 3.21Å; N137-W139 PolarHBondContact OD1-N 3.13Å; N137-C140 HydrophobicContact CB-CB 3.9Å; N137-C140 WeakPolarHBondContact ND2-CB 3.43Å; N137-C140 PolarHBondContact O-N 2.82Å; N137-C140 VanDerWaalsContact O-N 3.16Å; N137-D143 WeakPolarHBondContact CA-OD2 3.25Å; N137-D143 HydrophobicContact CB-CB 4.49Å; N137-D143 WeakPolarHBondContact CB-OD2 3.29Å; N137-D143 PolarHBondContact N-OD2 2.74Å; N137-D143 WeakPolarHBondContact O-CB 3.31Å | ||
| 138 | P | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -12.3 | 172.2 | -25.5 | 35.6 | 0 | 0 | 0 | 114.9 | F136 V145 F146 L147 R153 V157 G289 | F136-P138 WeakPolarHBondContact O-CD 3Å; P138-V145 HydrophobicContact CG-CG2 4.2Å; P138-F146 WeakPolarHBondContact O-CD2 3.29Å; P138-L147 PolarHBondContact O-N 3.5Å; P138-L147 VanDerWaalsContact O-N 3.08Å; P138-R153 HydrophobicContact CB-CG 4.21Å; P138-R153 WeakPolarHBondContact O-CD 3.42Å; P138-V157 HydrophobicContact CB-CG2 4.24Å; P138-V157 HydrophobicContact CG-CG1 4.47Å; P138-V157 HydrophobicContact CG-CG2 3.87Å; P138-G289 WeakPolarHBondContact CD-O 3.42Å; P138-G289 WeakPolarHBondContact CG-O 3.12Å |
| 139 | W | 98.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 27 Ų | 27 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -10.6 | 179.2 | -68 | -108.5 | 0 | 0 | 0 | 114 | H21 N137 E150 R153 V157 L158 | H21-W139 HydrophobicContact CB-CH2 4.03Å; H21-W139 HydrophobicContact CB-CZ2 4.03Å; H21-W139 HydrophobicContact CB-CZ3 4.34Å; H21-W139 AromaticContact CD2-CD1 3.67Å; H21-W139 AromaticContact CD2-CD2 3.66Å; H21-W139 AromaticContact CD2-CE2 3.56Å; H21-W139 AromaticContact CD2-CG 3.84Å; H21-W139 AromaticContact CD2-NE1 3.61Å; H21-W139 AromaticContact CE1-NE1 3.73Å; H21-W139 AromaticContact CG-CE2 3.79Å; H21-W139 AromaticContact CG-CZ2 3.88Å; H21-W139 AromaticContact NE2-CD1 3.37Å; H21-W139 AromaticContact NE2-CE2 3.88Å; H21-W139 AromaticContact NE2-CG 3.97Å; H21-W139 AromaticContact NE2-NE1 3.4Å; H21-W139 PolarHBondContact NE2-NE1 3.06Å; N137-W139 PolarHBondContact O-N 2.77Å; N137-W139 WeakPolarHBondContact OD1-CB 3.21Å; N137-W139 PolarHBondContact OD1-N 3.13Å; W139-E150 PolarHBondContact NE1-OE2 3.26Å; W139-R153 HydrophobicContact CH2-CB 4.39Å; W139-R153 HydrophobicContact CZ2-CB 3.92Å; W139-R153 HydrophobicContact CZ2-CG 4.49Å; W139-V157 HydrophobicContact CH2-CB 4.21Å; W139-V157 HydrophobicContact CH2-CG1 4Å; W139-V157 HydrophobicContact CZ3-CG1 4.11Å; W139-L158 HydrophobicContact CH2-CD1 4.06Å; W139-L158 HydrophobicContact CH2-CD2 4.06Å; W139-L158 HydrophobicContact CH2-CG 3.98Å; W139-L158 HydrophobicContact CZ2-CD1 3.89Å; W139-L158 HydrophobicContact CZ2-CG 4.29Å |
| 140 | C | 97.8 | Very high | 97.9 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | trans | -94.8 | 122.3 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | N137 E142 D143 F146 | N137-C140 HydrophobicContact CB-CB 3.9Å; N137-C140 WeakPolarHBondContact ND2-CB 3.43Å; N137-C140 PolarHBondContact O-N 2.82Å; N137-C140 VanDerWaalsContact O-N 3.16Å; C140-E142 PolarHBondContact O-N 3.01Å; C140-E142 PolarHBondContact SG-OE2 2.92Å; C140-D143 HydrophobicContact CB-CB 4Å; C140-D143 WeakPolarHBondContact O-CB 3.37Å; C140-D143 PolarHBondContact O-N 2.63Å; C140-D143 VanDerWaalsContact O-N 3.14Å; C140-F146 VanDerWaalsContact O-CB 3.28Å; C140-F146 WeakPolarHBondContact O-CB 3.37Å; C140-F146 VanDerWaalsContact O-CD2 3.28Å; C140-F146 WeakPolarHBondContact O-CD2 3.45Å | ||
| 141 | A | 97.1 | Very high | 98 | Very high | 63 Ų | 63 | 34.3 Ų | 34.3 | 52% | 0.521 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F146 | A141-F146 HydrophobicContact CB-CD2 4.46Å; A141-F146 HydrophobicContact CB-CE1 4.39Å; A141-F146 HydrophobicContact CB-CE2 4.33Å; A141-F146 HydrophobicContact CB-CZ 4.29Å |
| 142 | E | 96.1 | Very high | 98.1 | Very high | 138 Ų | 138 | 33.8 Ų | 33.8 | 65% | 0.645 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -8.1 | 178.9 | -57.4 | 76.7 | -169.2 | 0 | 0 | 113.1 | P105 C140 | P105-E142 HydrophobicContact CB-CB 3.88Å; P105-E142 HydrophobicContact CG-CB 3.76Å; C140-E142 PolarHBondContact O-N 3.01Å; C140-E142 PolarHBondContact SG-OE2 2.92Å |
| 143 | D | 98.1 | Very high | 98.2 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -82 | 136.1 | 175.7 | -167.5 | -34.7 | 0 | 0 | 0 | 110.2 | R34 N137 C140 V145 F146 | R34-D143 VanDerWaalsContact CG-OD2 3.29Å; R34-D143 WeakPolarHBondContact CG-OD2 3.4Å; R34-D143 IonicContact CZ-OD1 3.58Å; R34-D143 IonicContact CZ-OD2 2.88Å; R34-D143 IonicContact NE-OD1 2.79Å; R34-D143 PolarHBondContact NE-OD1 2.88Å; R34-D143 IonicContact NE-OD2 3.54Å; R34-D143 PolarHBondContact NE-OD2 3.47Å; R34-D143 IonicContact NH2-OD1 3.53Å; R34-D143 PolarHBondContact NH2-OD1 2.96Å; R34-D143 IonicContact NH2-OD2 3.59Å; N137-D143 WeakPolarHBondContact CA-OD2 3.25Å; N137-D143 HydrophobicContact CB-CB 4.49Å; N137-D143 WeakPolarHBondContact CB-OD2 3.29Å; N137-D143 PolarHBondContact N-OD2 2.74Å; N137-D143 WeakPolarHBondContact O-CB 3.31Å; C140-D143 HydrophobicContact CB-CB 4Å; C140-D143 WeakPolarHBondContact O-CB 3.37Å; C140-D143 PolarHBondContact O-N 2.63Å; C140-D143 VanDerWaalsContact O-N 3.14Å; D143-V145 HydrophobicContact CB-CG2 4.47Å; D143-V145 PolarHBondContact O-N 2.76Å; D143-V145 VanDerWaalsContact OD1-CG2 3.26Å; D143-V145 WeakPolarHBondContact OD1-CG2 3.3Å; D143-V145 PolarHBondContact OD1-N 2.97Å; D143-F146 VanDerWaalsContact O-CB 3.23Å; D143-F146 WeakPolarHBondContact O-CB 3.11Å; D143-F146 PolarHBondContact O-N 2.99Å |
| 144 | D | 98.2 | Very high | 98.1 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -22.8 | 176.6 | -68.2 | -49.2 | 0 | 0 | 0 | 113.5 | P214 F340 A341 Q343 | D144-P214 HydrophobicContact CB-CG 3.9Å; D144-F340 CarbonylContact O-C 3.52Å; D144-F340 WeakPolarHBondContact O-CA 3.49Å; D144-F340 WeakPolarHBondContact O-CB 3.47Å; D144-A341 HydrophobicContact CB-CB 4.29Å; D144-A341 PolarHBondContact O-N 3.14Å; D144-Q343 PolarHBondContact OD1-NE2 3.29Å |
| 145 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 9 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 114 | F136 P138 D143 L147 P214 I290 F340 | F136-V145 HydrophobicContact CB-CG1 4.33Å; F136-V145 HydrophobicContact CB-CG2 3.77Å; F136-V145 HydrophobicContact CD1-CG1 3.77Å; F136-V145 HydrophobicContact CD1-CG2 4.27Å; F136-V145 HydrophobicContact CE1-CG1 4.34Å; F136-V145 HydrophobicContact CG-CG1 4.14Å; F136-V145 HydrophobicContact CG-CG2 4.4Å; P138-V145 HydrophobicContact CG-CG2 4.2Å; D143-V145 HydrophobicContact CB-CG2 4.47Å; D143-V145 PolarHBondContact O-N 2.76Å; D143-V145 VanDerWaalsContact OD1-CG2 3.26Å; D143-V145 WeakPolarHBondContact OD1-CG2 3.3Å; D143-V145 PolarHBondContact OD1-N 2.97Å; V145-L147 PolarHBondContact O-N 2.79Å; V145-P214 HydrophobicContact CG1-CB 3.87Å; V145-P214 HydrophobicContact CG1-CG 4.15Å; V145-I290 HydrophobicContact CG1-CG1 4.21Å; V145-F340 HydrophobicContact CG1-CB 4.18Å |
| 146 | F | 98.6 | Very high | 98 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 31% | 0.307 | 21% | 0.212 | S | C | . | . | trans | -54.7 | 128 | -177 | 178.3 | -120.2 | 0 | 0 | 0 | 112.5 | P138 C140 A141 D143 A148 W339 | P138-F146 WeakPolarHBondContact O-CD2 3.29Å; C140-F146 VanDerWaalsContact O-CB 3.28Å; C140-F146 WeakPolarHBondContact O-CB 3.37Å; C140-F146 VanDerWaalsContact O-CD2 3.28Å; C140-F146 WeakPolarHBondContact O-CD2 3.45Å; A141-F146 HydrophobicContact CB-CD2 4.46Å; A141-F146 HydrophobicContact CB-CE1 4.39Å; A141-F146 HydrophobicContact CB-CE2 4.33Å; A141-F146 HydrophobicContact CB-CZ 4.29Å; D143-F146 VanDerWaalsContact O-CB 3.23Å; D143-F146 WeakPolarHBondContact O-CB 3.11Å; D143-F146 PolarHBondContact O-N 2.99Å; F146-A148 HydrophobicContact CE1-CB 3.91Å; F146-A148 HydrophobicContact CZ-CB 3.98Å; F146-W339 PolarHBondContact O-NE1 3.11Å | ||
| 147 | L | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | trans | -126.3 | 112 | 176.1 | -176.1 | 64.1 | 0 | 0 | 0 | 109.7 | P138 V145 S149 E152 R153 Y156 A291 W339 | P138-L147 PolarHBondContact O-N 3.5Å; P138-L147 VanDerWaalsContact O-N 3.08Å; V145-L147 PolarHBondContact O-N 2.79Å; L147-S149 PolarHBondContact O-N 3.41Å; L147-E152 HydrophobicContact CD2-CB 3.77Å; L147-E152 HydrophobicContact CG-CB 4.23Å; L147-R153 HydrophobicContact CB-CG 3.89Å; L147-R153 HydrophobicContact CD2-CG 3.94Å; L147-R153 HydrophobicContact CG-CG 4.08Å; L147-R153 WeakPolarHBondContact O-CD 3.36Å; L147-R153 PolarHBondContact O-NE 3.04Å; L147-R153 VanDerWaalsContact O-NE 3.11Å; L147-Y156 HydrophobicContact CD2-CD2 4.14Å; L147-A291 HydrophobicContact CD2-CB 3.76Å; L147-W339 HydrophobicContact CD1-CD2 3.74Å; L147-W339 HydrophobicContact CD1-CE3 4.34Å; L147-W339 HydrophobicContact CD1-CG 3.9Å; L147-W339 HydrophobicContact CD1-CZ2 4.14Å | ||
| 148 | A | 97.8 | Very high | 97.9 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 60% | 0.595 | 22% | 0.216 | S | C | * | . | trans | -67.4 | -38.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114 | F146 E150 | F146-A148 HydrophobicContact CE1-CB 3.91Å; F146-A148 HydrophobicContact CZ-CB 3.98Å; A148-E150 PolarHBondContact O-N 3.27Å | ||
| 149 | S | 98.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | trans | -71.5 | 130.3 | -178.1 | 165.1 | 0 | 0 | 0 | 0 | 111.1 | L147 E151 E152 R153 | L147-S149 PolarHBondContact O-N 3.41Å; S149-E151 PolarHBondContact OG-N 2.88Å; S149-E151 PolarHBondContact OG-OE2 2.83Å; S149-E152 WeakPolarHBondContact OG-CG 3.41Å; S149-E152 PolarHBondContact OG-N 3.04Å; S149-E152 VanDerWaalsContact OG-N 3.09Å; S149-R153 WeakPolarHBondContact O-CG 3.06Å; S149-R153 PolarHBondContact O-N 3.4Å; S149-R153 VanDerWaalsContact O-N 3.15Å; S149-R153 PolarHBondContact O-NE 3.48Å; S149-R153 VanDerWaalsContact O-NE 3.16Å | ||
| 150 | E | 97.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 31% | 0.308 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.7 | -42.9 | 173.1 | -176 | 57.1 | -150.4 | 0 | 0 | 110.7 | W139 A148 E152 R153 Q154 | W139-E150 PolarHBondContact NE1-OE2 3.26Å; A148-E150 PolarHBondContact O-N 3.27Å; E150-E152 VanDerWaalsContact C-N 3.32Å; E150-E152 PolarHBondContact O-N 2.83Å; E150-R153 PolarHBondContact O-N 2.89Å; E150-R153 VanDerWaalsContact O-N 3.13Å; E150-R153 IonicContact OE2-CZ 3.38Å; E150-R153 IonicContact OE2-NE 3.1Å; E150-R153 PolarHBondContact OE2-NE 3.31Å; E150-R153 IonicContact OE2-NH1 3.19Å; E150-R153 IonicContact OE2-NH2 2.81Å; E150-R153 PolarHBondContact OE2-NH2 3.09Å; E150-Q154 VanDerWaalsContact O-CG 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.27Å; E150-Q154 PolarHBondContact O-N 2.89Å; E150-Q154 PolarHBondContact OE1-NE2 3.4Å |
| 151 | E | 97.4 | Very high | 97.1 | Very high | 122 Ų | 122 | 40.5 Ų | 40.5 | 57% | 0.57 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -61 | -42 | -180 | -56.4 | 74.6 | -162.5 | 0 | 0 | 111.5 | S149 Q154 E155 V429 | S149-E151 PolarHBondContact OG-N 2.88Å; S149-E151 PolarHBondContact OG-OE2 2.83Å; E151-Q154 PolarHBondContact O-N 2.81Å; E151-E155 PolarHBondContact O-N 3.04Å; E151-V429 HydrophobicContact CB-CG1 3.86Å; E151-V429 WeakPolarHBondContact O-CG1 3.12Å |
| 152 | E | 98.3 | Very high | 97 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.5 | -36.5 | 175.6 | -67.3 | -171.2 | 141.8 | 0 | 0 | 112.3 | L147 S149 E150 E155 Y156 V429 | L147-E152 HydrophobicContact CD2-CB 3.77Å; L147-E152 HydrophobicContact CG-CB 4.23Å; S149-E152 WeakPolarHBondContact OG-CG 3.41Å; S149-E152 PolarHBondContact OG-N 3.04Å; S149-E152 VanDerWaalsContact OG-N 3.09Å; E150-E152 VanDerWaalsContact C-N 3.32Å; E150-E152 PolarHBondContact O-N 2.83Å; E152-E155 PolarHBondContact O-N 2.79Å; E152-Y156 HydrophobicContact CB-CD2 3.72Å; E152-Y156 HydrophobicContact CB-CE2 3.69Å; E152-Y156 HydrophobicContact CG-CD2 4.34Å; E152-Y156 HydrophobicContact CG-CE2 3.78Å; E152-Y156 VanDerWaalsContact O-CB 3.29Å; E152-Y156 WeakPolarHBondContact O-CB 3.43Å; E152-Y156 WeakPolarHBondContact O-CD2 3.49Å; E152-Y156 PolarHBondContact O-N 2.99Å; E152-V429 HydrophobicContact CG-CG2 4.13Å |
| 153 | R | 98.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 31 Ų | 31 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 173 | -76.2 | 178.7 | -69.2 | 179 | 4.5 | 112.1 | P138 W139 L147 S149 E150 E155 V157 L158 | P138-R153 HydrophobicContact CB-CG 4.21Å; P138-R153 WeakPolarHBondContact O-CD 3.42Å; W139-R153 HydrophobicContact CH2-CB 4.39Å; W139-R153 HydrophobicContact CZ2-CB 3.92Å; W139-R153 HydrophobicContact CZ2-CG 4.49Å; L147-R153 HydrophobicContact CB-CG 3.89Å; L147-R153 HydrophobicContact CD2-CG 3.94Å; L147-R153 HydrophobicContact CG-CG 4.08Å; L147-R153 WeakPolarHBondContact O-CD 3.36Å; L147-R153 PolarHBondContact O-NE 3.04Å; L147-R153 VanDerWaalsContact O-NE 3.11Å; S149-R153 WeakPolarHBondContact O-CG 3.06Å; S149-R153 PolarHBondContact O-N 3.4Å; S149-R153 VanDerWaalsContact O-N 3.15Å; S149-R153 PolarHBondContact O-NE 3.48Å; S149-R153 VanDerWaalsContact O-NE 3.16Å; E150-R153 PolarHBondContact O-N 2.89Å; E150-R153 VanDerWaalsContact O-N 3.13Å; E150-R153 IonicContact OE2-CZ 3.38Å; E150-R153 IonicContact OE2-NE 3.1Å; E150-R153 PolarHBondContact OE2-NE 3.31Å; E150-R153 IonicContact OE2-NH1 3.19Å; E150-R153 IonicContact OE2-NH2 2.81Å; E150-R153 PolarHBondContact OE2-NH2 3.09Å; R153-E155 VanDerWaalsContact C-N 3.33Å; R153-E155 PolarHBondContact O-N 3.15Å; R153-V157 VanDerWaalsContact O-CB 3.29Å; R153-V157 WeakPolarHBondContact O-CB 3.41Å; R153-V157 PolarHBondContact O-N 3.02Å; R153-L158 PolarHBondContact O-N 3.32Å |
| 154 | Q | 96.8 | Very high | 96.9 | Very high | 86 Ų | 86 | 31 Ų | 31 | 40% | 0.402 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -59.4 | -45 | 173.2 | -66.5 | -59.8 | -36.7 | 0 | 0 | 110.7 | E150 E151 L158 N159 | E150-Q154 VanDerWaalsContact O-CG 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.27Å; E150-Q154 PolarHBondContact O-N 2.89Å; E150-Q154 PolarHBondContact OE1-NE2 3.4Å; E151-Q154 PolarHBondContact O-N 2.81Å; Q154-L158 CarbonylContact O-C 3.52Å; Q154-L158 PolarHBondContact O-N 3.47Å; Q154-N159 WeakPolarHBondContact O-CB 3.49Å; Q154-N159 PolarHBondContact O-N 3.08Å |
| 155 | E | 97.5 | Very high | 96.7 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -74.6 | -44.2 | -179.5 | 179.6 | 63.3 | -156.6 | 0 | 0 | 114.1 | E151 E152 R153 N159 R286 K427 V429 G430 | E151-E155 PolarHBondContact O-N 3.04Å; E152-E155 PolarHBondContact O-N 2.79Å; R153-E155 VanDerWaalsContact C-N 3.33Å; R153-E155 PolarHBondContact O-N 3.15Å; E155-N159 WeakPolarHBondContact O-CB 3.19Å; E155-N159 PolarHBondContact OE2-ND2 3.01Å; E155-R286 PolarHBondContact O-NH1 2.83Å; E155-R286 PolarHBondContact O-NH2 2.97Å; E155-R286 VanDerWaalsContact O-NH2 3.16Å; E155-K427 WeakPolarHBondContact OE1-CD 3.48Å; E155-K427 IonicContact OE1-NZ 3.17Å; E155-K427 PolarHBondContact OE1-NZ 2.67Å; E155-K427 IonicContact OE2-NZ 3.31Å; E155-K427 PolarHBondContact OE2-NZ 2.94Å; E155-V429 HydrophobicContact CB-CB 4.44Å; E155-V429 HydrophobicContact CB-CG1 4.06Å; E155-V429 HydrophobicContact CB-CG2 4.4Å; E155-V429 HydrophobicContact CG-CG2 4.41Å; E155-G430 PolarHBondContact OE2-N 2.93Å |
| 156 | Y | 98.6 | Very high | 96.3 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -97.1 | -7.5 | -167 | -55 | -46.3 | 0 | 0 | 0 | 114 | L147 E152 R286 A291 T292 R293 W352 V429 | L147-Y156 HydrophobicContact CD2-CD2 4.14Å; E152-Y156 HydrophobicContact CB-CD2 3.72Å; E152-Y156 HydrophobicContact CB-CE2 3.69Å; E152-Y156 HydrophobicContact CG-CD2 4.34Å; E152-Y156 HydrophobicContact CG-CE2 3.78Å; E152-Y156 VanDerWaalsContact O-CB 3.29Å; E152-Y156 WeakPolarHBondContact O-CB 3.43Å; E152-Y156 WeakPolarHBondContact O-CD2 3.49Å; E152-Y156 PolarHBondContact O-N 2.99Å; Y156-R286 WeakPolarHBondContact O-CG 3.43Å; Y156-R286 PolarHBondContact O-NE 2.96Å; Y156-A291 WeakPolarHBondContact O-CA 3.44Å; Y156-T292 PolarHBondContact O-N 2.95Å; Y156-R293 HydrophobicContact CD1-CB 3.85Å; Y156-R293 HydrophobicContact CE1-CB 3.87Å; Y156-R293 HydrophobicContact CE1-CG 4.49Å; Y156-W352 HydrophobicContact CD1-CH2 4.34Å; Y156-W352 AromaticContact CD2-CH2 3.58Å; Y156-W352 HydrophobicContact CD2-CH2 3.58Å; Y156-W352 AromaticContact CD2-CZ2 3.84Å; Y156-W352 HydrophobicContact CD2-CZ2 3.84Å; Y156-W352 HydrophobicContact CE1-CH2 4.5Å; Y156-W352 AromaticContact CE2-CH2 3.78Å; Y156-W352 HydrophobicContact CE2-CH2 3.78Å; Y156-W352 AromaticContact CE2-CZ2 3.58Å; Y156-W352 HydrophobicContact CE2-CZ2 3.58Å; Y156-W352 AromaticContact CG-CH2 3.89Å; Y156-W352 HydrophobicContact CG-CH2 3.89Å; Y156-V429 HydrophobicContact CE1-CG2 4.4Å; Y156-V429 HydrophobicContact CE2-CG2 4.06Å; Y156-V429 VanDerWaalsContact OH-CG2 3.25Å; Y156-V429 WeakPolarHBondContact OH-CG2 3.47Å |
| 157 | V | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -122.9 | -52.1 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | P138 W139 R153 Q181 A291 | P138-V157 HydrophobicContact CB-CG2 4.24Å; P138-V157 HydrophobicContact CG-CG1 4.47Å; P138-V157 HydrophobicContact CG-CG2 3.87Å; W139-V157 HydrophobicContact CH2-CB 4.21Å; W139-V157 HydrophobicContact CH2-CG1 4Å; W139-V157 HydrophobicContact CZ3-CG1 4.11Å; R153-V157 VanDerWaalsContact O-CB 3.29Å; R153-V157 WeakPolarHBondContact O-CB 3.41Å; R153-V157 PolarHBondContact O-N 3.02Å; V157-Q181 PolarHBondContact O-NE2 2.97Å; V157-A291 HydrophobicContact CG2-CB 3.72Å |
| 158 | L | 96.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -91.8 | -25.7 | -169.7 | -59.4 | 179.1 | 0 | 0 | 0 | 113.9 | H21 W139 R153 Q154 D160 F182 | H21-L158 HydrophobicContact CB-CD2 4.48Å; W139-L158 HydrophobicContact CH2-CD1 4.06Å; W139-L158 HydrophobicContact CH2-CD2 4.06Å; W139-L158 HydrophobicContact CH2-CG 3.98Å; W139-L158 HydrophobicContact CZ2-CD1 3.89Å; W139-L158 HydrophobicContact CZ2-CG 4.29Å; R153-L158 PolarHBondContact O-N 3.32Å; Q154-L158 CarbonylContact O-C 3.52Å; Q154-L158 PolarHBondContact O-N 3.47Å; L158-D160 PolarHBondContact O-N 2.81Å; L158-F182 HydrophobicContact CD2-CZ 3.98Å; L158-F182 VanDerWaalsContact O-CE2 3.24Å; L158-F182 WeakPolarHBondContact O-CE2 3.29Å |
| 159 | N | 94.6 | Very high | 94.5 | Very high | 32 Ų | 32 | 28.2 Ų | 28.2 | 17% | 0.171 | 14% | 0.138 | C | C | . | . | trans | -68.6 | 123.5 | 177.6 | -167.6 | -7.5 | 0 | 0 | 0 | 110.1 | Q154 E155 S161 Q181 R286 | Q154-N159 WeakPolarHBondContact O-CB 3.49Å; Q154-N159 PolarHBondContact O-N 3.08Å; E155-N159 WeakPolarHBondContact O-CB 3.19Å; E155-N159 PolarHBondContact OE2-ND2 3.01Å; N159-S161 PolarHBondContact ND2-O 3.36Å; N159-S161 PolarHBondContact OD1-N 3.03Å; N159-S161 PolarHBondContact OD1-O 3.16Å; N159-S161 VanDerWaalsContact OD1-O 3.13Å; N159-Q181 PolarHBondContact O-NE2 2.92Å; N159-R286 PolarHBondContact O-NH1 3.31Å | ||
| 160 | D | 92.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | trans | -97.5 | 0.9 | -178.8 | 64 | 0.6 | 0 | 0 | 0 | 113.4 | L158 Y179 G180 Q181 F182 R680 | L158-D160 PolarHBondContact O-N 2.81Å; D160-Y179 WeakPolarHBondContact O-CA 3.35Å; D160-Y179 WeakPolarHBondContact O-CB 3.37Å; D160-Y179 PolarHBondContact O-N 2.83Å; D160-G180 PolarHBondContact O-N 2.89Å; D160-Q181 VanDerWaalsContact CA-OE1 3.25Å; D160-F182 HydrophobicContact CB-CD2 4.38Å; D160-R680 IonicContact OD1-NH1 3.27Å; D160-R680 PolarHBondContact OD1-NH1 3.25Å; D160-R680 IonicContact OD2-NH1 2.83Å; D160-R680 PolarHBondContact OD2-NH1 3.34Å; D160-R680 VanDerWaalsContact OD2-NH1 3.17Å | ||
| 161 | S | 92.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.3 | 179.8 | -60 | 0 | 0 | 0 | 0 | 110.5 | N159 | N159-S161 PolarHBondContact ND2-O 3.36Å; N159-S161 PolarHBondContact OD1-N 3.03Å; N159-S161 PolarHBondContact OD1-O 3.16Å; N159-S161 VanDerWaalsContact OD1-O 3.13Å |
| 162 | G | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 170.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G176 W177 Y179 Q681 | G162-G176 WeakPolarHBondContact O-CA 3.44Å; G162-W177 WeakPolarHBondContact CA-O 3.34Å; G162-W177 PolarHBondContact N-O 2.96Å; G162-W177 PolarHBondContact O-N 2.84Å; G162-Y179 VanDerWaalsContact CA-CE2 3.41Å; G162-Q681 PolarHBondContact O-NE2 2.87Å |
| 163 | I | 95.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132 | 169.1 | -64.4 | 174.4 | 0 | 0 | 0 | 108 | F165 A174 Q175 K427 D432 F697 | I163-F165 HydrophobicContact CG2-CE1 4.09Å; I163-F165 HydrophobicContact CG2-CE2 4.19Å; I163-F165 HydrophobicContact CG2-CZ 3.88Å; I163-A174 HydrophobicContact CG2-CB 3.68Å; I163-Q175 CarbonylContact C-O 3.6Å; I163-Q175 WeakPolarHBondContact CA-O 3.28Å; I163-K427 HydrophobicContact CB-CB 4.38Å; I163-K427 HydrophobicContact CB-CD 4.01Å; I163-K427 HydrophobicContact CB-CG 4.25Å; I163-K427 HydrophobicContact CD1-CD 4.18Å; I163-K427 HydrophobicContact CD1-CG 4.41Å; I163-K427 HydrophobicContact CG1-CD 4.02Å; I163-D432 VanDerWaalsContact CD1-CA 3.49Å; I163-D432 HydrophobicContact CD1-CB 3.4Å; I163-D432 VanDerWaalsContact CD1-CB 3.4Å; I163-F697 HydrophobicContact CD1-CE2 3.86Å; I163-F697 HydrophobicContact CD1-CZ 3.8Å; I163-F697 HydrophobicContact CG1-CE2 4.05Å; I163-F697 HydrophobicContact CG1-CZ 3.98Å |
| 164 | I | 96.4 | Very high | 92 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.5 | 174.8 | -53.2 | -178.3 | 0 | 0 | 0 | 108.4 | R166 Q175 W177 W275 V294 V334 | I164-R166 HydrophobicContact CG2-CG 4.28Å; I164-Q175 PolarHBondContact N-O 2.88Å; I164-Q175 PolarHBondContact O-N 2.98Å; I164-W177 HydrophobicContact CD1-CB 3.95Å; I164-W177 HydrophobicContact CD1-CD2 3.98Å; I164-W177 HydrophobicContact CD1-CE3 4.07Å; I164-W177 HydrophobicContact CD1-CG 3.94Å; I164-W177 HydrophobicContact CG1-CB 4.11Å; I164-W275 HydrophobicContact CD1-CB 4.1Å; I164-W275 HydrophobicContact CG2-CB 3.99Å; I164-V294 HydrophobicContact CD1-CG1 4.48Å; I164-V294 HydrophobicContact CG1-CG1 4.14Å; I164-V294 HydrophobicContact CG2-CG1 4.29Å; I164-V334 HydrophobicContact CG2-CG1 3.92Å; I164-V334 HydrophobicContact CG2-CG2 4.12Å |
| 165 | F | 94.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.2 | -180 | -65.5 | -76.2 | 0 | 0 | 0 | 110.5 | I163 I172 R173 A174 S296 F298 T426 R434 | I163-F165 HydrophobicContact CG2-CE1 4.09Å; I163-F165 HydrophobicContact CG2-CE2 4.19Å; I163-F165 HydrophobicContact CG2-CZ 3.88Å; F165-I172 HydrophobicContact CB-CG2 3.82Å; F165-I172 HydrophobicContact CD1-CG2 3.79Å; F165-I172 HydrophobicContact CG-CG2 4.18Å; F165-R173 CarbonylContact C-O 3.54Å; F165-R173 WeakPolarHBondContact CA-O 3.23Å; F165-A174 HydrophobicContact CD1-CB 4.3Å; F165-A174 HydrophobicContact CE1-CB 4.02Å; F165-S296 PolarHBondContact N-OG 3Å; F165-S296 WeakPolarHBondContact O-CB 3.35Å; F165-S296 PolarHBondContact O-OG 2.84Å; F165-F298 HydrophobicContact CB-CZ 4.22Å; F165-T426 WeakPolarHBondContact CE2-O 3.32Å; F165-R434 HydrophobicContact CD1-CB 4.26Å; F165-R434 HydrophobicContact CD1-CG 4Å; F165-R434 HydrophobicContact CD2-CG 4.15Å; F165-R434 HydrophobicContact CE1-CB 3.55Å; F165-R434 HydrophobicContact CE1-CG 3.78Å; F165-R434 HydrophobicContact CE2-CB 4.15Å; F165-R434 HydrophobicContact CE2-CG 3.94Å; F165-R434 HydrophobicContact CG-CG 4.19Å; F165-R434 VanDerWaalsContact CZ-CA 3.43Å; F165-R434 HydrophobicContact CZ-CB 3.5Å; F165-R434 HydrophobicContact CZ-CG 3.75Å |
| 166 | R | 90.5 | Very high | 91.4 | Very high | 35 Ų | 35 | 29.3 Ų | 29.3 | 13% | 0.132 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 179.5 | -177.6 | -61.2 | 177.3 | 65 | -149.5 | -7.4 | 110.1 | I164 I172 R173 W275 F332 | I164-R166 HydrophobicContact CG2-CG 4.28Å; R166-I172 WeakPolarHBondContact O-CA 3.28Å; R166-R173 PolarHBondContact N-O 2.78Å; R166-R173 PolarHBondContact O-N 3.1Å; R166-W275 VanDerWaalsContact NH2-CH2 3.28Å; R166-F332 HydrophobicContact CB-CE1 4.09Å; R166-F332 HydrophobicContact CB-CE2 4.15Å; R166-F332 HydrophobicContact CB-CZ 3.9Å; R166-F332 HydrophobicContact CG-CD2 4.42Å; R166-F332 HydrophobicContact CG-CE2 3.79Å; R166-F332 HydrophobicContact CG-CZ 3.89Å |
| 167 | G | 86 | Confident | 91.2 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 112.4 | -124.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F332 K581 | G167-F332 WeakPolarHBondContact O-CD1 3.5Å; G167-K581 PolarHBondContact O-NZ 3.15Å; G167-K581 VanDerWaalsContact O-NZ 3.11Å |
| 168 | V | 85.6 | Confident | 91 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 10% | 0.097 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 158.7 | 175.4 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | K170 H171 I172 N331 D601 | V168-K170 PolarHBondContact O-N 3.17Å; V168-H171 HydrophobicContact CG2-CB 4.02Å; V168-H171 PolarHBondContact N-O 3.14Å; V168-H171 CarbonylContact O-C 3.57Å; V168-H171 PolarHBondContact O-N 3.35Å; V168-I172 PolarHBondContact O-N 3.27Å; V168-N331 HydrophobicContact CG1-CB 4.29Å; V168-D601 HydrophobicContact CG1-CB 4.08Å |
| 169 | E | 84.8 | Confident | 90.9 | Very high | 50 Ų | 50 | 29 Ų | 29 | 23% | 0.234 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.8 | -40.4 | -177.7 | -177.1 | -164.3 | -171.1 | 0 | 0 | 113.8 | F298 R422 | E169-F298 HydrophobicContact CB-CB 4.22Å; E169-R422 HydrophobicContact CG-CB 3.91Å; E169-R422 IonicContact OE1-CZ 3.62Å; E169-R422 IonicContact OE1-NE 3.66Å; E169-R422 PolarHBondContact OE1-NE 3.32Å; E169-R422 IonicContact OE1-NH2 3.89Å |
| 170 | K | 84.3 | Confident | 90.8 | Very high | 161 Ų | 161 | 27.5 Ų | 27.5 | 70% | 0.7 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7.5 | -175.2 | -65.1 | 177.8 | -177.8 | 164.7 | 0 | 114.7 | V168 | V168-K170 PolarHBondContact O-N 3.17Š|
| 171 | H | 84.2 | Confident | 91 | Very high | 75 Ų | 75 | 27.4 Ų | 27.4 | 35% | 0.347 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 77.3 | -178.1 | -170.2 | 90.7 | 0 | 0 | 0 | 108.5 | V168 R173 E605 | V168-H171 HydrophobicContact CG2-CB 4.02Å; V168-H171 PolarHBondContact N-O 3.14Å; V168-H171 CarbonylContact O-C 3.57Å; V168-H171 PolarHBondContact O-N 3.35Å; H171-R173 PolarHBondContact NE2-NE 3.48Å; H171-R173 VanDerWaalsContact NE2-NE 3.17Å; H171-E605 IonicContact CE1-OE1 3.13Å; H171-E605 PolarHBondContact CE1-OE1 3.4Å; H171-E605 IonicContact NE2-OE1 2.68Å |
| 172 | I | 89.9 | Confident | 91 | Very high | 45 Ų | 45 | 27.2 Ų | 27.2 | 23% | 0.231 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.6 | -179.4 | -60.6 | 175.4 | 0 | 0 | 0 | 108.6 | F165 R166 V168 F298 C423 | F165-I172 HydrophobicContact CB-CG2 3.82Å; F165-I172 HydrophobicContact CD1-CG2 3.79Å; F165-I172 HydrophobicContact CG-CG2 4.18Å; R166-I172 WeakPolarHBondContact O-CA 3.28Å; V168-I172 PolarHBondContact O-N 3.27Å; I172-F298 HydrophobicContact CB-CZ 4.18Å; I172-F298 HydrophobicContact CD1-CD2 4.15Å; I172-F298 HydrophobicContact CD1-CE1 4.5Å; I172-F298 HydrophobicContact CD1-CE2 3.69Å; I172-F298 HydrophobicContact CD1-CZ 3.9Å; I172-F298 HydrophobicContact CG1-CD1 4.47Å; I172-F298 HydrophobicContact CG1-CE1 3.89Å; I172-F298 HydrophobicContact CG1-CE2 3.97Å; I172-F298 HydrophobicContact CG1-CZ 3.64Å; I172-F298 HydrophobicContact CG2-CE1 4.44Å; I172-F298 HydrophobicContact CG2-CE2 4.3Å; I172-F298 HydrophobicContact CG2-CZ 3.68Å; I172-C423 HydrophobicContact CD1-CB 3.89Å |
| 173 | R | 87.8 | Confident | 90.9 | Very high | 71 Ų | 71 | 29.6 Ų | 29.6 | 27% | 0.268 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.7 | 176.4 | -63.3 | -169.9 | -176.7 | 176.5 | 8.3 | 110.2 | F165 R166 H171 L604 D606 | F165-R173 CarbonylContact C-O 3.54Å; F165-R173 WeakPolarHBondContact CA-O 3.23Å; R166-R173 PolarHBondContact N-O 2.78Å; R166-R173 PolarHBondContact O-N 3.1Å; H171-R173 PolarHBondContact NE2-NE 3.48Å; H171-R173 VanDerWaalsContact NE2-NE 3.17Å; R173-L604 PolarHBondContact NH2-O 2.99Å; R173-D606 IonicContact CZ-OD1 3.83Å; R173-D606 IonicContact NH1-OD1 3.56Å; R173-D606 PolarHBondContact NH1-OD1 2.79Å |
| 174 | A | 90.6 | Very high | 90.6 | Very high | 49 Ų | 49 | 35.9 Ų | 35.9 | 41% | 0.405 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I163 F165 F697 | I163-A174 HydrophobicContact CG2-CB 3.68Å; F165-A174 HydrophobicContact CD1-CB 4.3Å; F165-A174 HydrophobicContact CE1-CB 4.02Å; A174-F697 HydrophobicContact CB-CE1 3.98Å; A174-F697 HydrophobicContact CB-CZ 4.07Å |
| 175 | Q | 90.3 | Very high | 90.5 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.9 | 170.8 | -179.1 | 177.2 | -3.4 | 0 | 0 | 109.1 | I163 I164 | I163-Q175 CarbonylContact C-O 3.6Å; I163-Q175 WeakPolarHBondContact CA-O 3.28Å; I164-Q175 PolarHBondContact N-O 2.88Å; I164-Q175 PolarHBondContact O-N 2.98Å |
| 176 | G | 91.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 147.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G162 Q683 F697 | G162-G176 WeakPolarHBondContact O-CA 3.44Å; G176-Q683 PolarHBondContact O-OE1 2.93Å; G176-F697 VanDerWaalsContact N-CD1 3.27Å |
| 177 | W | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 125.2 | 173.5 | -170.4 | -88.3 | 0 | 0 | 0 | 110.2 | G162 I164 Y179 W251 R252 S254 I257 W275 V276 | G162-W177 WeakPolarHBondContact CA-O 3.34Å; G162-W177 PolarHBondContact N-O 2.96Å; G162-W177 PolarHBondContact O-N 2.84Å; I164-W177 HydrophobicContact CD1-CB 3.95Å; I164-W177 HydrophobicContact CD1-CD2 3.98Å; I164-W177 HydrophobicContact CD1-CE3 4.07Å; I164-W177 HydrophobicContact CD1-CG 3.94Å; I164-W177 HydrophobicContact CG1-CB 4.11Å; W177-Y179 AromaticContact CD1-CD1 3.46Å; W177-Y179 VanDerWaalsContact CD1-CD1 3.46Å; W177-Y179 AromaticContact CD1-CE1 3.59Å; W177-Y179 HydrophobicContact CG-CE1 4.44Å; W177-Y179 PolarHBondContact O-N 3.03Å; W177-W251 HydrophobicContact CH2-CB 3.78Å; W177-W251 HydrophobicContact CZ3-CB 4.05Å; W177-R252 WeakPolarHBondContact CA-O 3.07Å; W177-S254 PolarHBondContact NE1-OG 3.39Å; W177-I257 HydrophobicContact CH2-CD1 4.37Å; W177-I257 HydrophobicContact CZ2-CD1 4.34Å; W177-W275 AromaticContact CZ3-CD1 3.95Å; W177-V276 HydrophobicContact CH2-CB 4.28Å; W177-V276 HydrophobicContact CH2-CG1 4.18Å; W177-V276 HydrophobicContact CH2-CG2 4.18Å |
| 178 | N | 93.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 103.4 | 175.5 | 176.2 | 17.2 | 0 | 0 | 0 | 109.3 | G180 R252 G253 S254 S646 | N178-G180 WeakPolarHBondContact OD1-CA 3.46Å; N178-G180 PolarHBondContact OD1-N 2.86Å; N178-R252 PolarHBondContact N-O 3.4Å; N178-G253 CarbonylContact O-C 3.52Å; N178-G253 WeakPolarHBondContact O-CA 3.02Å; N178-S254 PolarHBondContact O-N 3.37Å; N178-S646 PolarHBondContact ND2-OG 2.98Å; N178-S646 PolarHBondContact OD1-OG 3.45Å |
| 179 | Y | 95.6 | Very high | 92 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | trans | -69 | -52.9 | 172 | -60.6 | -54.3 | 0 | 0 | 0 | 109.4 | D160 G162 W177 Q181 C282 T283 V294 | D160-Y179 WeakPolarHBondContact O-CA 3.35Å; D160-Y179 WeakPolarHBondContact O-CB 3.37Å; D160-Y179 PolarHBondContact O-N 2.83Å; G162-Y179 VanDerWaalsContact CA-CE2 3.41Å; W177-Y179 AromaticContact CD1-CD1 3.46Å; W177-Y179 VanDerWaalsContact CD1-CD1 3.46Å; W177-Y179 AromaticContact CD1-CE1 3.59Å; W177-Y179 HydrophobicContact CG-CE1 4.44Å; W177-Y179 PolarHBondContact O-N 3.03Å; Y179-Q181 VanDerWaalsContact C-N 3.34Å; Y179-Q181 PolarHBondContact O-N 2.88Å; Y179-C282 HydrophobicContact CD1-CB 3.93Å; Y179-C282 HydrophobicContact CE1-CB 3.53Å; Y179-C282 VanDerWaalsContact CE1-SG 3.58Å; Y179-C282 VanDerWaalsContact CZ-SG 3.58Å; Y179-T283 VanDerWaalsContact CA-OG1 3.28Å; Y179-T283 WeakPolarHBondContact CA-OG1 3.37Å; Y179-T283 WeakPolarHBondContact CB-OG1 3.39Å; Y179-T283 WeakPolarHBondContact O-CG2 3.46Å; Y179-T283 PolarHBondContact O-OG1 2.83Å; Y179-V294 HydrophobicContact CE1-CG2 4.14Å; Y179-V294 WeakPolarHBondContact OH-CG2 3.47Å | ||
| 180 | G | 92.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | 61.1 | 37.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | D160 N178 F182 E183 | D160-G180 PolarHBondContact O-N 2.89Å; N178-G180 WeakPolarHBondContact OD1-CA 3.46Å; N178-G180 PolarHBondContact OD1-N 2.86Å; G180-F182 PolarHBondContact O-N 3.18Å; G180-E183 WeakPolarHBondContact O-CB 3.49Å; G180-E183 PolarHBondContact O-N 2.91Å | ||
| 181 | Q | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.8 | -179.7 | 64.5 | -87.3 | 25.2 | 0 | 0 | 114.1 | V157 N159 D160 Y179 T283 R286 C287 | V157-Q181 PolarHBondContact O-NE2 2.97Å; N159-Q181 PolarHBondContact O-NE2 2.92Å; D160-Q181 VanDerWaalsContact CA-OE1 3.25Å; Y179-Q181 VanDerWaalsContact C-N 3.34Å; Y179-Q181 PolarHBondContact O-N 2.88Å; Q181-T283 HydrophobicContact CB-CG2 4.26Å; Q181-R286 HydrophobicContact CG-CB 4.41Å; Q181-C287 HydrophobicContact CB-CB 3.87Å |
| 182 | F | 93.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 9.7 | 178.4 | -53.6 | -50.7 | 0 | 0 | 0 | 113.8 | E24 Y25 P26 L158 D160 G180 | E24-F182 HydrophobicContact CB-CB 4.03Å; E24-F182 HydrophobicContact CB-CD1 3.86Å; E24-F182 HydrophobicContact CB-CD2 3.75Å; E24-F182 HydrophobicContact CB-CE1 4.23Å; E24-F182 HydrophobicContact CB-CE2 4.1Å; E24-F182 HydrophobicContact CB-CG 3.61Å; E24-F182 HydrophobicContact CB-CZ 4.35Å; E24-F182 HydrophobicContact CG-CD2 4.43Å; E24-F182 WeakPolarHBondContact OE2-CD2 3.48Å; Y25-F182 AromaticContact CD1-CD1 3.83Å; Y25-F182 HydrophobicContact CD1-CD1 3.83Å; Y25-F182 HydrophobicContact CD1-CE1 4.41Å; Y25-F182 HydrophobicContact CD2-CD1 4.35Å; Y25-F182 HydrophobicContact CD2-CE1 4.33Å; Y25-F182 AromaticContact CE1-CD1 3.6Å; Y25-F182 HydrophobicContact CE1-CD1 3.6Å; Y25-F182 AromaticContact CE1-CE1 3.88Å; Y25-F182 HydrophobicContact CE1-CE1 3.88Å; Y25-F182 HydrophobicContact CE2-CD1 4.16Å; Y25-F182 AromaticContact CE2-CE1 3.79Å; Y25-F182 HydrophobicContact CE2-CE1 3.79Å; Y25-F182 HydrophobicContact CG-CD1 4.19Å; Y25-F182 AromaticContact CZ-CD1 3.78Å; Y25-F182 AromaticContact CZ-CE1 3.53Å; P26-F182 WeakPolarHBondContact CD-O 3.42Å; L158-F182 HydrophobicContact CD2-CZ 3.98Å; L158-F182 VanDerWaalsContact O-CE2 3.24Å; L158-F182 WeakPolarHBondContact O-CE2 3.29Å; D160-F182 HydrophobicContact CB-CD2 4.38Å; G180-F182 PolarHBondContact O-N 3.18Å |
| 183 | E | 90.7 | Very high | 94.2 | Very high | 50 Ų | 50 | 24.3 Ų | 24.3 | 23% | 0.234 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -79.2 | 163.5 | 173.4 | -63.4 | -56.5 | 131.7 | 0 | 0 | 111.2 | G180 I186 V255 K676 | G180-E183 WeakPolarHBondContact O-CB 3.49Å; G180-E183 PolarHBondContact O-N 2.91Å; E183-I186 HydrophobicContact CB-CG1 4.03Å; E183-I186 PolarHBondContact O-N 3.06Å; E183-V255 HydrophobicContact CB-CG1 4.1Å; E183-V255 HydrophobicContact CB-CG2 4.13Å; E183-V255 HydrophobicContact CG-CG1 4.48Å; E183-V255 HydrophobicContact CG-CG2 3.98Å; E183-K676 IonicContact OE1-NZ 3.84Å; E183-K676 PolarHBondContact OE1-NZ 2.77Å |
| 184 | E | 90.3 | Very high | 94.6 | Very high | 136 Ų | 136 | 21 Ų | 21 | 64% | 0.636 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 142.5 | -176.5 | -169.3 | 175.2 | -169.1 | 0 | 0 | 112.1 | I186 Q259 | E184-I186 PolarHBondContact O-N 2.89Å; E184-Q259 PolarHBondContact O-NE2 3.27Å |
| 185 | D | 93.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 21.9 Ų | 21.9 | 37% | 0.374 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -13.4 | -176 | -66.5 | -38.6 | 0 | 0 | 0 | 117.1 | L187 N188 I189 L262 | D185-L187 PolarHBondContact O-N 3.36Å; D185-N188 WeakPolarHBondContact O-CB 3.19Å; D185-N188 PolarHBondContact O-N 2.79Å; D185-I189 HydrophobicContact CB-CD1 3.98Å; D185-I189 HydrophobicContact CB-CG1 4.43Å; D185-I189 VanDerWaalsContact O-CG1 3.27Å; D185-I189 WeakPolarHBondContact O-CG1 3.44Å; D185-I189 PolarHBondContact O-N 3.24Å; D185-L262 HydrophobicContact CB-CD2 4.17Å |
| 186 | I | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | -172 | -60.7 | -57.8 | 0 | 0 | 0 | 112.3 | E183 E184 N188 I189 C190 V255 L258 Q259 T283 | E183-I186 HydrophobicContact CB-CG1 4.03Å; E183-I186 PolarHBondContact O-N 3.06Å; E184-I186 PolarHBondContact O-N 2.89Å; I186-N188 VanDerWaalsContact C-N 3.29Å; I186-N188 PolarHBondContact O-N 3.31Å; I186-I189 HydrophobicContact CD1-CD1 4.28Å; I186-I189 PolarHBondContact O-N 3.27Å; I186-I189 VanDerWaalsContact O-N 3.13Å; I186-C190 PolarHBondContact O-N 3.4Å; I186-C190 PolarHBondContact O-SG 2.9Å; I186-V255 HydrophobicContact CD1-CB 4.4Å; I186-V255 HydrophobicContact CD1-CG1 4.16Å; I186-L258 HydrophobicContact CD1-CB 3.95Å; I186-L258 HydrophobicContact CD1-CD1 4.15Å; I186-L258 HydrophobicContact CG2-CD1 4.19Å; I186-Q259 HydrophobicContact CD1-CG 4.22Å; I186-T283 HydrophobicContact CG2-CG2 4.11Å |
| 187 | L | 97.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.5 | -42.6 | 174.9 | 177.1 | 61 | 0 | 0 | 0 | 112.9 | Y25 V31 V133 L135 D185 I189 C190 L191 C287 | Y25-L187 HydrophobicContact CD1-CB 3.98Å; Y25-L187 HydrophobicContact CD1-CD2 3.9Å; Y25-L187 HydrophobicContact CD1-CG 4.39Å; Y25-L187 HydrophobicContact CE1-CB 4.13Å; Y25-L187 HydrophobicContact CE1-CD1 4.27Å; Y25-L187 HydrophobicContact CE1-CD2 4.3Å; Y25-L187 HydrophobicContact CE1-CG 4.46Å; Y25-L187 HydrophobicContact CG-CD2 4.16Å; V31-L187 HydrophobicContact CG1-CD2 4.32Å; V31-L187 HydrophobicContact CG2-CD2 3.78Å; V133-L187 HydrophobicContact CG1-CD2 4.44Å; L135-L187 HydrophobicContact CD2-CD1 4.15Å; D185-L187 PolarHBondContact O-N 3.36Å; L187-I189 VanDerWaalsContact C-N 3.34Å; L187-C190 PolarHBondContact O-N 3.07Å; L187-L191 HydrophobicContact CD1-CD1 4.3Å; L187-L191 HydrophobicContact CD1-CG 4.42Å; L187-L191 HydrophobicContact CG-CD1 4.37Å; L187-L191 WeakPolarHBondContact O-CG 3.1Å; L187-L191 PolarHBondContact O-N 3.33Å; L187-L191 VanDerWaalsContact O-N 3.08Å; L187-C287 VanDerWaalsContact CA-SG 3.53Å |
| 188 | N | 96.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 27 Ų | 27 | 26% | 0.262 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 179.1 | -66.2 | -25.2 | 0 | 0 | 0 | 111.6 | R111 D185 I186 S192 | R111-N188 PolarHBondContact NH2-OD1 3.03Å; D185-N188 WeakPolarHBondContact O-CB 3.19Å; D185-N188 PolarHBondContact O-N 2.79Å; I186-N188 VanDerWaalsContact C-N 3.29Å; I186-N188 PolarHBondContact O-N 3.31Å; N188-S192 WeakPolarHBondContact O-CB 3.42Å; N188-S192 PolarHBondContact O-N 2.91Å; N188-S192 PolarHBondContact O-OG 2.94Å |
| 189 | I | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -46.9 | 176.8 | -64.1 | 162.8 | 0 | 0 | 0 | 109.9 | D185 I186 L187 L191 S192 I193 L258 Q259 W261 L262 | D185-I189 HydrophobicContact CB-CD1 3.98Å; D185-I189 HydrophobicContact CB-CG1 4.43Å; D185-I189 VanDerWaalsContact O-CG1 3.27Å; D185-I189 WeakPolarHBondContact O-CG1 3.44Å; D185-I189 PolarHBondContact O-N 3.24Å; I186-I189 HydrophobicContact CD1-CD1 4.28Å; I186-I189 PolarHBondContact O-N 3.27Å; I186-I189 VanDerWaalsContact O-N 3.13Å; L187-I189 VanDerWaalsContact C-N 3.34Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 2.77Å; I189-S192 CarbonylContact O-C 3.51Å; I189-S192 WeakPolarHBondContact O-CA 3.27Å; I189-S192 WeakPolarHBondContact O-CB 3.43Å; I189-S192 PolarHBondContact O-N 2.73Å; I189-I193 WeakPolarHBondContact O-CG1 3.42Å; I189-I193 PolarHBondContact O-N 2.68Å; I189-L258 HydrophobicContact CD1-CB 4.23Å; I189-L258 HydrophobicContact CG2-CB 4.03Å; I189-L258 HydrophobicContact CG2-CD2 3.9Å; I189-Q259 HydrophobicContact CD1-CG 4.25Å; I189-W261 HydrophobicContact CG2-CE3 3.79Å; I189-W261 HydrophobicContact CG2-CZ3 3.93Å; I189-L262 HydrophobicContact CD1-CB 3.95Å; I189-L262 HydrophobicContact CD1-CD2 3.84Å; I189-L262 HydrophobicContact CD1-CG 4.49Å; I189-L262 HydrophobicContact CG1-CB 3.96Å; I189-L262 HydrophobicContact CG1-CD2 3.73Å; I189-L262 HydrophobicContact CG1-CG 4.26Å |
| 190 | C | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.1 | -43.1 | 178.4 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | I186 L187 I193 V284 C287 L288 | I186-C190 PolarHBondContact O-N 3.4Å; I186-C190 PolarHBondContact O-SG 2.9Å; L187-C190 PolarHBondContact O-N 3.07Å; C190-I193 WeakPolarHBondContact O-CB 3.48Å; C190-I193 PolarHBondContact O-N 3.31Å; C190-V284 HydrophobicContact CB-CG1 4.14Å; C190-C287 HydrophobicContact CB-CB 4.24Å; C190-L288 HydrophobicContact CB-CD2 4.3Å |
| 191 | L | 97.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -40 | 173.8 | -67.9 | 171.9 | 0 | 0 | 0 | 112 | R111 V133 L187 I189 I193 L194 D195 L288 | R111-L191 HydrophobicContact CG-CD1 4.11Å; V133-L191 HydrophobicContact CG1-CD1 4.05Å; V133-L191 HydrophobicContact CG2-CD1 4.27Å; L187-L191 HydrophobicContact CD1-CD1 4.3Å; L187-L191 HydrophobicContact CD1-CG 4.42Å; L187-L191 HydrophobicContact CG-CD1 4.37Å; L187-L191 WeakPolarHBondContact O-CG 3.1Å; L187-L191 PolarHBondContact O-N 3.33Å; L187-L191 VanDerWaalsContact O-N 3.08Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 2.77Å; L191-I193 VanDerWaalsContact C-N 3.25Å; L191-I193 PolarHBondContact O-N 3.44Å; L191-L194 WeakPolarHBondContact O-CB 3.39Å; L191-L194 PolarHBondContact O-N 2.98Å; L191-D195 PolarHBondContact O-N 3Å; L191-L288 HydrophobicContact CD2-CD2 3.82Å; L191-L288 HydrophobicContact CG-CD2 4.43Å |
| 192 | S | 96.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 41 Ų | 41 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.3 | -24.5 | 178.1 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | N188 I189 L194 D195 R196 | N188-S192 WeakPolarHBondContact O-CB 3.42Å; N188-S192 PolarHBondContact O-N 2.91Å; N188-S192 PolarHBondContact O-OG 2.94Å; I189-S192 CarbonylContact O-C 3.51Å; I189-S192 WeakPolarHBondContact O-CA 3.27Å; I189-S192 WeakPolarHBondContact O-CB 3.43Å; I189-S192 PolarHBondContact O-N 2.73Å; S192-L194 VanDerWaalsContact C-N 3.31Å; S192-D195 PolarHBondContact O-N 3.08Å; S192-R196 WeakPolarHBondContact O-CB 3.48Å; S192-R196 VanDerWaalsContact O-CG 3.25Å; S192-R196 WeakPolarHBondContact O-CG 3.28Å; S192-R196 PolarHBondContact O-N 3.41Å; S192-R196 VanDerWaalsContact O-N 3.16Å |
| 193 | I | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 173.4 | -72.5 | 170.4 | 0 | 0 | 0 | 110.1 | I189 C190 L191 R196 S197 M224 V233 L258 W261 V284 | I189-I193 WeakPolarHBondContact O-CG1 3.42Å; I189-I193 PolarHBondContact O-N 2.68Å; C190-I193 WeakPolarHBondContact O-CB 3.48Å; C190-I193 PolarHBondContact O-N 3.31Å; L191-I193 VanDerWaalsContact C-N 3.25Å; L191-I193 PolarHBondContact O-N 3.44Å; I193-R196 PolarHBondContact O-N 3.16Å; I193-S197 PolarHBondContact O-N 2.95Å; I193-M224 HydrophobicContact CG2-CB 3.6Å; I193-M224 HydrophobicContact CG2-CG 4.32Å; I193-V233 HydrophobicContact CD1-CG2 3.82Å; I193-V233 HydrophobicContact CG1-CG2 4.06Å; I193-L258 HydrophobicContact CD1-CD2 4.02Å; I193-W261 HydrophobicContact CB-CH2 4.49Å; I193-W261 HydrophobicContact CD1-CZ3 4.47Å; I193-W261 HydrophobicContact CG1-CE3 4.46Å; I193-W261 HydrophobicContact CG1-CH2 3.7Å; I193-W261 HydrophobicContact CG1-CZ3 3.54Å; I193-V284 HydrophobicContact CD1-CG1 4.25Å; I193-V284 HydrophobicContact CD1-CG2 3.61Å |
| 194 | L | 96.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 178 | -57.4 | 175.4 | 0 | 0 | 0 | 111.3 | I109 L191 S192 R196 S197 H200 R211 V217 V220 I221 L288 | I109-L194 HydrophobicContact CD1-CD1 4.35Å; L191-L194 WeakPolarHBondContact O-CB 3.39Å; L191-L194 PolarHBondContact O-N 2.98Å; S192-L194 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3.37Å; L194-R196 VanDerWaalsContact O-N 3.17Å; L194-S197 WeakPolarHBondContact O-CB 3.43Å; L194-S197 PolarHBondContact O-N 3.34Å; L194-S197 PolarHBondContact O-OG 2.83Å; L194-H200 WeakPolarHBondContact O-CB 3.17Å; L194-R211 VanDerWaalsContact C-NH2 3.29Å; L194-R211 PolarHBondContact O-NH2 3.4Å; L194-V217 HydrophobicContact CD2-CG1 4.26Å; L194-V220 HydrophobicContact CD2-CG1 4.19Å; L194-I221 HydrophobicContact CD2-CD1 4.33Å; L194-I221 HydrophobicContact CD2-CG1 4.02Å; L194-L288 HydrophobicContact CD1-CD1 4.23Å |
| 195 | D | 94.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.353 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.8 | -11.8 | 178.2 | -62.2 | -22.8 | 0 | 0 | 0 | 113.5 | L191 S192 H200 R211 | L191-D195 PolarHBondContact O-N 3Å; S192-D195 PolarHBondContact O-N 3.08Å; D195-H200 PolarHBondContact O-CD2 2.91Å; D195-H200 IonicContact OD1-CE1 3.14Å; D195-R211 IonicContact OD1-CZ 3.17Å; D195-R211 IonicContact OD1-NH1 2.96Å; D195-R211 PolarHBondContact OD1-NH1 3.29Å; D195-R211 IonicContact OD1-NH2 3.55Å; D195-R211 PolarHBondContact OD1-NH2 3.44Å |
| 196 | R | 93.9 | Very high | 95 | Very high | 89 Ų | 89 | 36.6 Ų | 36.6 | 34% | 0.336 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -2.2 | 178.7 | -72.3 | 179.9 | -179.6 | -73.1 | -16.2 | 113.4 | S192 I193 L194 Q201 M224 Y266 | S192-R196 WeakPolarHBondContact O-CB 3.48Å; S192-R196 VanDerWaalsContact O-CG 3.25Å; S192-R196 WeakPolarHBondContact O-CG 3.28Å; S192-R196 PolarHBondContact O-N 3.41Å; S192-R196 VanDerWaalsContact O-N 3.16Å; I193-R196 PolarHBondContact O-N 3.16Å; L194-R196 PolarHBondContact O-N 3.37Å; L194-R196 VanDerWaalsContact O-N 3.17Å; R196-Q201 PolarHBondContact O-NE2 3.02Å; R196-M224 HydrophobicContact CB-CE 3.75Å; R196-M224 WeakPolarHBondContact O-CE 3.34Å; R196-Y266 VanDerWaalsContact CD-CD1 3.49Å; R196-Y266 VanDerWaalsContact NE-CD2 3.29Å |
| 197 | S | 93.1 | Very high | 95 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -59.4 | 151.2 | 175 | 84.9 | 0 | 0 | 0 | 0 | 111.1 | I193 L194 G199 H200 Q201 D207 | I193-S197 PolarHBondContact O-N 2.95Å; L194-S197 WeakPolarHBondContact O-CB 3.43Å; L194-S197 PolarHBondContact O-N 3.34Å; L194-S197 PolarHBondContact O-OG 2.83Å; S197-G199 PolarHBondContact O-N 2.93Å; S197-G199 PolarHBondContact OG-N 2.94Å; S197-H200 WeakPolarHBondContact O-CB 3.34Å; S197-H200 PolarHBondContact O-N 2.84Å; S197-H200 VanDerWaalsContact O-N 3.14Å; S197-H200 WeakPolarHBondContact OG-CB 3.38Å; S197-H200 PolarHBondContact OG-N 3.21Å; S197-Q201 WeakPolarHBondContact O-CG 3.44Å; S197-Q201 PolarHBondContact O-N 2.88Å; S197-D207 PolarHBondContact OG-OD1 3.16Å; S197-D207 VanDerWaalsContact OG-OD1 3.06Å |
| 198 | P | 89.8 | Confident | 95 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 24% | 0.24 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -38.3 | 172.9 | -24.7 | 36.3 | 0 | 0 | 0 | 111.6 | H200 Q201 N202 D230 | P198-H200 VanDerWaalsContact C-N 3.29Å; P198-H200 PolarHBondContact O-N 2.82Å; P198-Q201 PolarHBondContact O-N 2.89Å; P198-N202 VanDerWaalsContact O-CB 3.28Å; P198-N202 WeakPolarHBondContact O-CB 3.32Å; P198-N202 PolarHBondContact O-N 2.99Å; P198-N202 PolarHBondContact O-ND2 3.24Å; P198-D230 HydrophobicContact CG-CB 4.08Å; P198-D230 WeakPolarHBondContact CG-OD2 3.36Å |
| 199 | G | 90.3 | Very high | 95 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -55.2 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S197 N202 N203 | S197-G199 PolarHBondContact O-N 2.93Å; S197-G199 PolarHBondContact OG-N 2.94Å; G199-N202 PolarHBondContact O-N 3.46Å; G199-N203 CarbonylContact O-C 3.58Å; G199-N203 PolarHBondContact O-N 3.06Å |
| 200 | H | 93.3 | Very high | 95 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 11% | 0.106 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 176.5 | -165.1 | 86.4 | 0 | 0 | 0 | 112.4 | L194 D195 S197 P198 N202 N203 P204 D207 R211 | L194-H200 WeakPolarHBondContact O-CB 3.17Å; D195-H200 PolarHBondContact O-CD2 2.91Å; D195-H200 IonicContact OD1-CE1 3.14Å; S197-H200 WeakPolarHBondContact O-CB 3.34Å; S197-H200 PolarHBondContact O-N 2.84Å; S197-H200 VanDerWaalsContact O-N 3.14Å; S197-H200 WeakPolarHBondContact OG-CB 3.38Å; S197-H200 PolarHBondContact OG-N 3.21Å; P198-H200 VanDerWaalsContact C-N 3.29Å; P198-H200 PolarHBondContact O-N 2.82Å; H200-N202 VanDerWaalsContact C-N 3.27Å; H200-N202 PolarHBondContact O-N 3.08Å; H200-N203 CarbonylContact O-C 3.48Å; H200-P204 VanDerWaalsContact O-CA 3.32Å; H200-P204 WeakPolarHBondContact O-CA 3.3Å; H200-P204 WeakPolarHBondContact O-CD 3.33Å; H200-P204 WeakPolarHBondContact O-CG 3.4Å; H200-D207 HydrophobicContact CB-CB 4.14Å; H200-D207 IonicContact CG-OD2 2.96Å; H200-D207 PolarHBondContact N-OD1 2.74Å; H200-D207 IonicContact ND1-OD2 3.88Å; H200-D207 PolarHBondContact ND1-OD2 3.43Å; H200-R211 PolarHBondContact CE1-NH2 2.97Å; H200-R211 PolarHBondContact ND1-NH2 3.33Å |
| 201 | Q | 91.5 | Very high | 95 | Very high | 124 Ų | 124 | 37.4 Ų | 37.4 | 58% | 0.579 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.7 | -36.3 | 179.9 | -67.8 | -179.4 | 38.8 | 0 | 0 | 112.2 | R196 S197 P198 | R196-Q201 PolarHBondContact O-NE2 3.02Å; S197-Q201 WeakPolarHBondContact O-CG 3.44Å; S197-Q201 PolarHBondContact O-N 2.88Å; P198-Q201 PolarHBondContact O-N 2.89Å |
| 202 | N | 92.4 | Very high | 95 | Very high | 137 Ų | 137 | 40.7 Ų | 40.7 | 73% | 0.733 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -76.3 | -48.6 | 179.1 | -70.3 | -24.9 | 0 | 0 | 0 | 112.2 | P198 G199 H200 | P198-N202 VanDerWaalsContact O-CB 3.28Å; P198-N202 WeakPolarHBondContact O-CB 3.32Å; P198-N202 PolarHBondContact O-N 2.99Å; P198-N202 PolarHBondContact O-ND2 3.24Å; G199-N202 PolarHBondContact O-N 3.46Å; H200-N202 VanDerWaalsContact C-N 3.27Å; H200-N202 PolarHBondContact O-N 3.08Å |
| 203 | N | 94.8 | Very high | 95.1 | Very high | 63 Ų | 63 | 41.4 Ų | 41.4 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | trans | -145.1 | 86.7 | 178.6 | -172.5 | -4.5 | 0 | 0 | 0 | 112 | R63 G199 H200 A205 T206 D207 | R63-N203 PolarHBondContact NH2-OD1 3.21Å; G199-N203 CarbonylContact O-C 3.58Å; G199-N203 PolarHBondContact O-N 3.06Å; H200-N203 CarbonylContact O-C 3.48Å; N203-A205 PolarHBondContact O-N 3.1Å; N203-A205 VanDerWaalsContact O-N 3.13Å; N203-A205 PolarHBondContact OD1-N 2.88Å; N203-T206 WeakPolarHBondContact ND2-CB 3.41Å; N203-T206 PolarHBondContact ND2-OG1 2.96Å; N203-T206 PolarHBondContact O-N 3.27Å; N203-T206 PolarHBondContact OD1-N 3.2Å; N203-D207 PolarHBondContact O-N 3.02Å | ||
| 204 | P | 95.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -31 | -176.4 | -23.5 | 27.9 | 0 | 0 | 0 | 114.4 | P62 H200 V208 | P62-P204 HydrophobicContact CG-CB 3.51Å; P62-P204 HydrophobicContact CG-CG 4.46Å; H200-P204 VanDerWaalsContact O-CA 3.32Å; H200-P204 WeakPolarHBondContact O-CA 3.3Å; H200-P204 WeakPolarHBondContact O-CD 3.33Å; H200-P204 WeakPolarHBondContact O-CG 3.4Å; P204-V208 WeakPolarHBondContact O-CB 3.4Å; P204-V208 WeakPolarHBondContact O-CG2 3.44Å; P204-V208 PolarHBondContact O-N 3.33Å; P204-V208 VanDerWaalsContact O-N 3.16Å |
| 205 | A | 95.2 | Very high | 95.2 | Very high | 11 Ų | 11 | 42 Ų | 42 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.5 | -44.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R63 L68 N203 S209 | R63-A205 HydrophobicContact CB-CB 4.05Å; L68-A205 HydrophobicContact CD1-CB 3.92Å; N203-A205 PolarHBondContact O-N 3.1Å; N203-A205 VanDerWaalsContact O-N 3.13Å; N203-A205 PolarHBondContact OD1-N 2.88Å; A205-S209 PolarHBondContact O-N 2.73Å |
| 206 | T | 95.1 | Very high | 95.4 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.7 | -44.7 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | N203 V208 S209 C210 | N203-T206 WeakPolarHBondContact ND2-CB 3.41Å; N203-T206 PolarHBondContact ND2-OG1 2.96Å; N203-T206 PolarHBondContact O-N 3.27Å; N203-T206 PolarHBondContact OD1-N 3.2Å; T206-V208 VanDerWaalsContact C-N 3.34Å; T206-V208 PolarHBondContact O-N 3.48Å; T206-S209 WeakPolarHBondContact CA-OG 3.36Å; T206-S209 PolarHBondContact O-N 2.95Å; T206-S209 VanDerWaalsContact O-N 3.11Å; T206-S209 PolarHBondContact O-OG 3.02Å; T206-C210 PolarHBondContact O-N 2.74Å; T206-C210 VanDerWaalsContact O-N 3.09Å; T206-C210 PolarHBondContact O-SG 3.46Å; T206-C210 VanDerWaalsContact O-SG 3.36Å |
| 207 | D | 96.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.7 | -50.4 | 176.1 | 169 | 97.5 | 0 | 0 | 0 | 111.4 | S197 H200 N203 S209 C210 R211 Y216 | S197-D207 PolarHBondContact OG-OD1 3.16Å; S197-D207 VanDerWaalsContact OG-OD1 3.06Å; H200-D207 HydrophobicContact CB-CB 4.14Å; H200-D207 IonicContact CG-OD2 2.96Å; H200-D207 PolarHBondContact N-OD1 2.74Å; H200-D207 IonicContact ND1-OD2 3.88Å; H200-D207 PolarHBondContact ND1-OD2 3.43Å; N203-D207 PolarHBondContact O-N 3.02Å; D207-S209 VanDerWaalsContact C-N 3.33Å; D207-S209 PolarHBondContact O-N 2.77Å; D207-C210 PolarHBondContact O-N 3.06Å; D207-C210 VanDerWaalsContact O-N 3.11Å; D207-R211 WeakPolarHBondContact O-CG 3.46Å; D207-R211 PolarHBondContact O-N 2.83Å; D207-R211 IonicContact OD2-CZ 3.66Å; D207-R211 VanDerWaalsContact OD2-CZ 3.26Å; D207-R211 IonicContact OD2-NE 2.76Å; D207-R211 PolarHBondContact OD2-NE 2.8Å; D207-R211 IonicContact OD2-NH2 2.63Å; D207-R211 PolarHBondContact OD2-NH2 2.82Å; D207-Y216 PolarHBondContact OD1-OH 2.7Å |
| 208 | V | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 178.6 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | T60 T70 V108 P204 T206 C210 R211 | T60-V208 HydrophobicContact CG2-CG1 4.15Å; T70-V208 HydrophobicContact CG2-CB 4.42Å; T70-V208 HydrophobicContact CG2-CG1 3.76Å; V108-V208 HydrophobicContact CG1-CG1 3.98Å; V108-V208 WeakPolarHBondContact CG1-O 3.45Å; P204-V208 WeakPolarHBondContact O-CB 3.4Å; P204-V208 WeakPolarHBondContact O-CG2 3.44Å; P204-V208 PolarHBondContact O-N 3.33Å; P204-V208 VanDerWaalsContact O-N 3.16Å; T206-V208 VanDerWaalsContact C-N 3.34Å; T206-V208 PolarHBondContact O-N 3.48Å; V208-C210 PolarHBondContact O-N 2.86Å; V208-R211 PolarHBondContact O-N 3.49Å; V208-R211 VanDerWaalsContact O-N 3.11Å |
| 209 | S | 97.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -29.6 | 177.3 | 74.2 | 0 | 0 | 0 | 0 | 113.3 | L68 A205 T206 D207 R211 H212 | L68-S209 WeakPolarHBondContact O-CB 3.33Å; A205-S209 PolarHBondContact O-N 2.73Å; T206-S209 WeakPolarHBondContact CA-OG 3.36Å; T206-S209 PolarHBondContact O-N 2.95Å; T206-S209 VanDerWaalsContact O-N 3.11Å; T206-S209 PolarHBondContact O-OG 3.02Å; D207-S209 VanDerWaalsContact C-N 3.33Å; D207-S209 PolarHBondContact O-N 2.77Å; S209-R211 VanDerWaalsContact C-N 3.34Å; S209-H212 PolarHBondContact O-ND1 3.01Å |
| 210 | C | 97.6 | Very high | 96.6 | Very high | 37 Ų | 37 | 36 Ų | 36 | 25% | 0.25 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -80.3 | -11.6 | 178.2 | -65 | 0 | 0 | 0 | 0 | 113.4 | T206 D207 V208 H212 D213 Y216 | T206-C210 PolarHBondContact O-N 2.74Å; T206-C210 VanDerWaalsContact O-N 3.09Å; T206-C210 PolarHBondContact O-SG 3.46Å; T206-C210 VanDerWaalsContact O-SG 3.36Å; D207-C210 PolarHBondContact O-N 3.06Å; D207-C210 VanDerWaalsContact O-N 3.11Å; V208-C210 PolarHBondContact O-N 2.86Å; C210-H212 PolarHBondContact O-N 3.03Å; C210-D213 PolarHBondContact O-N 2.8Å; C210-D213 VanDerWaalsContact O-N 3.08Å; C210-Y216 HydrophobicContact CB-CD1 3.45Å; C210-Y216 VanDerWaalsContact CB-CD1 3.45Å; C210-Y216 HydrophobicContact CB-CD2 3.89Å; C210-Y216 HydrophobicContact CB-CE1 3.51Å; C210-Y216 HydrophobicContact CB-CE2 3.95Å; C210-Y216 HydrophobicContact CB-CG 3.63Å |
| 211 | R | 98.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 35 Ų | 35 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 7 | -179.7 | -55 | 173.7 | -172.4 | -170.8 | -1.9 | 114.2 | V108 I109 L194 D195 H200 D207 V208 S209 D213 V217 | V108-R211 HydrophobicContact CG1-CB 4.12Å; I109-R211 HydrophobicContact CG1-CB 4.14Å; I109-R211 WeakPolarHBondContact CG1-O 3.46Å; I109-R211 PolarHBondContact N-O 3.4Å; L194-R211 VanDerWaalsContact C-NH2 3.29Å; L194-R211 PolarHBondContact O-NH2 3.4Å; D195-R211 IonicContact OD1-CZ 3.17Å; D195-R211 IonicContact OD1-NH1 2.96Å; D195-R211 PolarHBondContact OD1-NH1 3.29Å; D195-R211 IonicContact OD1-NH2 3.55Å; D195-R211 PolarHBondContact OD1-NH2 3.44Å; H200-R211 PolarHBondContact CE1-NH2 2.97Å; H200-R211 PolarHBondContact ND1-NH2 3.33Å; D207-R211 WeakPolarHBondContact O-CG 3.46Å; D207-R211 PolarHBondContact O-N 2.83Å; D207-R211 IonicContact OD2-CZ 3.66Å; D207-R211 VanDerWaalsContact OD2-CZ 3.26Å; D207-R211 IonicContact OD2-NE 2.76Å; D207-R211 PolarHBondContact OD2-NE 2.8Å; D207-R211 IonicContact OD2-NH2 2.63Å; D207-R211 PolarHBondContact OD2-NH2 2.82Å; V208-R211 PolarHBondContact O-N 3.49Å; V208-R211 VanDerWaalsContact O-N 3.11Å; S209-R211 VanDerWaalsContact C-N 3.34Å; R211-D213 VanDerWaalsContact C-N 3.3Å; R211-V217 HydrophobicContact CB-CG2 4.09Å; R211-V217 HydrophobicContact CG-CG2 4.47Å |
| 212 | H | 97.6 | Very high | 97 | Very high | 74 Ų | 74 | 29 Ų | 29 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21 | 165.2 | 72 | -78.3 | 0 | 0 | 0 | 112.4 | R34 N106 V108 S209 C210 | R34-H212 PolarHBondContact NH1-O 3.44Å; R34-H212 PolarHBondContact NH2-O 2.9Å; N106-H212 WeakPolarHBondContact O-CB 3.21Å; V108-H212 HydrophobicContact CG2-CB 4.06Å; S209-H212 PolarHBondContact O-ND1 3.01Å; C210-H212 PolarHBondContact O-N 3.03Å |
| 213 | D | 98.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 23.2 Ų | 23.2 | 23% | 0.225 | 13% | 0.127 | C | C | . | . | trans | -99.4 | 119.7 | -171.7 | 176.1 | 11.6 | 0 | 0 | 0 | 110.8 | C210 R211 I215 Y216 V217 | C210-D213 PolarHBondContact O-N 2.8Å; C210-D213 VanDerWaalsContact O-N 3.08Å; R211-D213 VanDerWaalsContact C-N 3.3Å; D213-I215 PolarHBondContact O-N 2.91Å; D213-I215 VanDerWaalsContact OD1-CB 3.27Å; D213-I215 WeakPolarHBondContact OD1-CB 3.48Å; D213-I215 WeakPolarHBondContact OD1-CG1 3.21Å; D213-I215 PolarHBondContact OD1-N 3.24Å; D213-Y216 PolarHBondContact O-N 2.86Å; D213-V217 WeakPolarHBondContact O-CG2 3.23Å; D213-V217 PolarHBondContact O-N 2.87Å | ||
| 214 | P | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -27.6 | 175.9 | 27.1 | -34.3 | 0 | 0 | 0 | 112.9 | F136 D144 V145 T218 I290 F340 | F136-P214 HydrophobicContact CE1-CB 4.16Å; F136-P214 HydrophobicContact CZ-CB 4.24Å; D144-P214 HydrophobicContact CB-CG 3.9Å; V145-P214 HydrophobicContact CG1-CB 3.87Å; V145-P214 HydrophobicContact CG1-CG 4.15Å; P214-T218 VanDerWaalsContact O-CB 3.29Å; P214-T218 WeakPolarHBondContact O-CB 3.4Å; P214-T218 WeakPolarHBondContact O-CG2 3.5Å; P214-T218 PolarHBondContact O-N 2.86Å; P214-T218 PolarHBondContact O-OG1 3.3Å; P214-I290 HydrophobicContact CB-CD1 4.22Å; P214-F340 HydrophobicContact CB-CB 4.09Å; P214-F340 HydrophobicContact CB-CD1 4.13Å; P214-F340 HydrophobicContact CB-CD2 4.2Å; P214-F340 HydrophobicContact CB-CG 3.91Å; P214-F340 HydrophobicContact CG-CB 3.9Å; P214-F340 HydrophobicContact CG-CD2 4.05Å; P214-F340 HydrophobicContact CG-CG 4.01Å |
| 215 | I | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 19 Ų | 19 | 8% | 0.077 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -50.9 | 175.7 | -61.3 | 161.9 | 0 | 0 | 0 | 109.3 | D213 T218 R219 F340 D344 P371 | D213-I215 PolarHBondContact O-N 2.91Å; D213-I215 VanDerWaalsContact OD1-CB 3.27Å; D213-I215 WeakPolarHBondContact OD1-CB 3.48Å; D213-I215 WeakPolarHBondContact OD1-CG1 3.21Å; D213-I215 PolarHBondContact OD1-N 3.24Å; I215-T218 PolarHBondContact O-OG1 3.45Å; I215-R219 WeakPolarHBondContact O-CB 3.26Å; I215-R219 PolarHBondContact O-N 3.31Å; I215-F340 HydrophobicContact CG1-CD2 4.22Å; I215-F340 HydrophobicContact CG1-CE2 3.73Å; I215-D344 HydrophobicContact CD1-CB 4.41Å; I215-D344 VanDerWaalsContact CD1-OD1 3.29Å; I215-D344 WeakPolarHBondContact CD1-OD1 3.47Å; I215-P371 HydrophobicContact CB-CG 4.34Å; I215-P371 HydrophobicContact CG2-CG 3.77Å |
| 216 | Y | 98.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 18.6 Ų | 18.6 | 24% | 0.243 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -51.8 | 177.5 | -178.5 | -100 | 0 | 0 | 0 | 112.4 | D207 C210 D213 T218 R219 V220 | D207-Y216 PolarHBondContact OD1-OH 2.7Å; C210-Y216 HydrophobicContact CB-CD1 3.45Å; C210-Y216 VanDerWaalsContact CB-CD1 3.45Å; C210-Y216 HydrophobicContact CB-CD2 3.89Å; C210-Y216 HydrophobicContact CB-CE1 3.51Å; C210-Y216 HydrophobicContact CB-CE2 3.95Å; C210-Y216 HydrophobicContact CB-CG 3.63Å; D213-Y216 PolarHBondContact O-N 2.86Å; Y216-T218 PolarHBondContact O-N 3.39Å; Y216-R219 PolarHBondContact O-N 3.31Å; Y216-V220 HydrophobicContact CD1-CG2 4.24Å; Y216-V220 HydrophobicContact CD2-CG2 4.49Å; Y216-V220 HydrophobicContact CE1-CG2 3.84Å; Y216-V220 HydrophobicContact CE2-CG2 4.11Å; Y216-V220 WeakPolarHBondContact O-CG2 3.45Å; Y216-V220 PolarHBondContact O-N 2.92Å |
| 217 | V | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | -175.5 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | F136 L194 R211 D213 V220 I221 L288 I290 | F136-V217 HydrophobicContact CE2-CB 4.29Å; F136-V217 HydrophobicContact CE2-CG1 4.18Å; F136-V217 HydrophobicContact CE2-CG2 4.17Å; F136-V217 HydrophobicContact CZ-CB 4.4Å; F136-V217 HydrophobicContact CZ-CG2 4.07Å; L194-V217 HydrophobicContact CD2-CG1 4.26Å; R211-V217 HydrophobicContact CB-CG2 4.09Å; R211-V217 HydrophobicContact CG-CG2 4.47Å; D213-V217 WeakPolarHBondContact O-CG2 3.23Å; D213-V217 PolarHBondContact O-N 2.87Å; V217-V220 PolarHBondContact O-N 2.84Å; V217-I221 HydrophobicContact CG1-CD1 3.6Å; V217-I221 HydrophobicContact CG1-CG1 4.5Å; V217-I221 WeakPolarHBondContact O-CD1 3.2Å; V217-I221 VanDerWaalsContact O-CG1 3.26Å; V217-I221 WeakPolarHBondContact O-CG1 3.32Å; V217-I221 PolarHBondContact O-N 2.93Å; V217-L288 HydrophobicContact CG1-CD1 4.11Å; V217-I290 HydrophobicContact CG1-CD1 4.4Å |
| 218 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67 | -39 | -178.7 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | P214 I215 Y216 I221 S222 L285 I290 F340 L355 | P214-T218 VanDerWaalsContact O-CB 3.29Å; P214-T218 WeakPolarHBondContact O-CB 3.4Å; P214-T218 WeakPolarHBondContact O-CG2 3.5Å; P214-T218 PolarHBondContact O-N 2.86Å; P214-T218 PolarHBondContact O-OG1 3.3Å; I215-T218 PolarHBondContact O-OG1 3.45Å; Y216-T218 PolarHBondContact O-N 3.39Å; T218-I221 PolarHBondContact O-N 3.49Å; T218-S222 PolarHBondContact O-N 2.97Å; T218-L285 HydrophobicContact CG2-CD2 3.64Å; T218-I290 HydrophobicContact CG2-CD1 3.68Å; T218-F340 HydrophobicContact CG2-CE1 3.73Å; T218-F340 HydrophobicContact CG2-CZ 4.2Å; T218-L355 HydrophobicContact CG2-CD1 3.88Å |
| 219 | R | 97.5 | Very high | 95.4 | Very high | 21 Ų | 21 | 22.4 Ų | 22.4 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 174.7 | -172.4 | 167.3 | 179.1 | 79 | -5.6 | 111.8 | I215 Y216 I221 S222 A223 S363 E364 Q368 G370 D387 | I215-R219 WeakPolarHBondContact O-CB 3.26Å; I215-R219 PolarHBondContact O-N 3.31Å; Y216-R219 PolarHBondContact O-N 3.31Å; R219-I221 VanDerWaalsContact C-N 3.3Å; R219-I221 PolarHBondContact O-N 2.94Å; R219-S222 WeakPolarHBondContact O-CB 3.46Å; R219-S222 PolarHBondContact O-N 2.97Å; R219-S222 PolarHBondContact O-OG 2.93Å; R219-A223 PolarHBondContact O-N 2.86Å; R219-S363 PolarHBondContact NH2-OG 3.11Å; R219-E364 IonicContact CZ-OE2 3.03Å; R219-E364 IonicContact NE-OE2 2.73Å; R219-E364 IonicContact NH2-OE2 3.45Å; R219-E364 PolarHBondContact NH2-OE2 3.47Å; R219-Q368 VanDerWaalsContact NH2-NE2 3.14Å; R219-G370 WeakPolarHBondContact CG-O 3.11Å; R219-G370 PolarHBondContact NH1-O 2.84Å; R219-D387 IonicContact NH1-OD2 3.78Å; R219-D387 PolarHBondContact NH1-OD2 2.9Å |
| 220 | V | 96.9 | Very high | 93.8 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 11% | 0.109 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | L194 Y216 V217 A223 M224 | L194-V220 HydrophobicContact CD2-CG1 4.19Å; Y216-V220 HydrophobicContact CD1-CG2 4.24Å; Y216-V220 HydrophobicContact CD2-CG2 4.49Å; Y216-V220 HydrophobicContact CE1-CG2 3.84Å; Y216-V220 HydrophobicContact CE2-CG2 4.11Å; Y216-V220 WeakPolarHBondContact O-CG2 3.45Å; Y216-V220 PolarHBondContact O-N 2.92Å; V217-V220 PolarHBondContact O-N 2.84Å; V220-A223 PolarHBondContact O-N 3.13Å; V220-M224 HydrophobicContact CG1-CG 4.27Å; V220-M224 WeakPolarHBondContact O-CB 3.42Å; V220-M224 WeakPolarHBondContact O-CG 3.24Å; V220-M224 PolarHBondContact O-N 2.73Å |
| 221 | I | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 178.3 | -69.1 | 162.4 | 0 | 0 | 0 | 111.2 | L194 V217 T218 R219 A223 M224 V225 M281 V284 L285 L288 | L194-I221 HydrophobicContact CD2-CD1 4.33Å; L194-I221 HydrophobicContact CD2-CG1 4.02Å; V217-I221 HydrophobicContact CG1-CD1 3.6Å; V217-I221 HydrophobicContact CG1-CG1 4.5Å; V217-I221 WeakPolarHBondContact O-CD1 3.2Å; V217-I221 VanDerWaalsContact O-CG1 3.26Å; V217-I221 WeakPolarHBondContact O-CG1 3.32Å; V217-I221 PolarHBondContact O-N 2.93Å; T218-I221 PolarHBondContact O-N 3.49Å; R219-I221 VanDerWaalsContact C-N 3.3Å; R219-I221 PolarHBondContact O-N 2.94Å; I221-A223 PolarHBondContact O-N 2.89Å; I221-M224 PolarHBondContact O-N 3.19Å; I221-V225 HydrophobicContact CG2-CG2 3.8Å; I221-V225 WeakPolarHBondContact O-CB 3.37Å; I221-V225 VanDerWaalsContact O-CG2 3.22Å; I221-V225 WeakPolarHBondContact O-CG2 3.15Å; I221-V225 PolarHBondContact O-N 2.96Å; I221-M281 HydrophobicContact CG2-CE 4.22Å; I221-M281 HydrophobicContact CG2-CG 4.07Å; I221-V284 HydrophobicContact CD1-CG1 3.88Å; I221-V284 HydrophobicContact CG1-CG1 4.13Å; I221-V284 HydrophobicContact CG2-CB 4.28Å; I221-V284 HydrophobicContact CG2-CG1 4.04Å; I221-L285 HydrophobicContact CB-CD2 4.45Å; I221-L285 HydrophobicContact CD1-CD2 3.45Å; I221-L285 VanDerWaalsContact CD1-CD2 3.45Å; I221-L285 HydrophobicContact CD1-CG 4.29Å; I221-L285 HydrophobicContact CG2-CD2 4.38Å; I221-L285 HydrophobicContact CG2-CG 4.33Å; I221-L288 HydrophobicContact CD1-CD1 3.59Å |
| 222 | S | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.8 | -40.2 | 175.6 | 80 | 0 | 0 | 0 | 0 | 111.7 | T218 R219 N226 A357 C369 | T218-S222 PolarHBondContact O-N 2.97Å; R219-S222 WeakPolarHBondContact O-CB 3.46Å; R219-S222 PolarHBondContact O-N 2.97Å; R219-S222 PolarHBondContact O-OG 2.93Å; S222-N226 PolarHBondContact O-ND2 2.85Å; S222-A357 WeakPolarHBondContact O-CA 3.26Å; S222-C369 PolarHBondContact OG-N 3.17Å |
| 223 | A | 95.9 | Very high | 92 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.6 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R219 V220 I221 V225 N226 V366 F367 Q368 | R219-A223 PolarHBondContact O-N 2.86Å; V220-A223 PolarHBondContact O-N 3.13Å; I221-A223 PolarHBondContact O-N 2.89Å; A223-V225 PolarHBondContact O-N 2.89Å; A223-N226 PolarHBondContact O-ND2 2.82Å; A223-N226 VanDerWaalsContact O-O 3.12Å; A223-V366 HydrophobicContact CB-CG1 4.12Å; A223-F367 WeakPolarHBondContact CA-O 3.47Å; A223-Q368 HydrophobicContact CB-CB 3.74Å |
| 224 | M | 96.8 | Very high | 92 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -79 | -17.4 | -171 | -76.9 | -60.4 | -65.2 | 0 | 0 | 114.6 | I193 R196 V220 I221 N226 G232 V233 | I193-M224 HydrophobicContact CG2-CB 3.6Å; I193-M224 HydrophobicContact CG2-CG 4.32Å; R196-M224 HydrophobicContact CB-CE 3.75Å; R196-M224 WeakPolarHBondContact O-CE 3.34Å; V220-M224 HydrophobicContact CG1-CG 4.27Å; V220-M224 WeakPolarHBondContact O-CB 3.42Å; V220-M224 WeakPolarHBondContact O-CG 3.24Å; V220-M224 PolarHBondContact O-N 2.73Å; I221-M224 PolarHBondContact O-N 3.19Å; M224-N226 CarbonylContact C-O 3.55Å; M224-G232 CarbonylContact O-C 3.6Å; M224-G232 WeakPolarHBondContact O-CA 3.38Å; M224-V233 PolarHBondContact O-N 3.39Å |
| 225 | V | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72 | -32.7 | 176.3 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | I221 A223 V234 F277 V280 M281 A357 | I221-V225 HydrophobicContact CG2-CG2 3.8Å; I221-V225 WeakPolarHBondContact O-CB 3.37Å; I221-V225 VanDerWaalsContact O-CG2 3.22Å; I221-V225 WeakPolarHBondContact O-CG2 3.15Å; I221-V225 PolarHBondContact O-N 2.96Å; A223-V225 PolarHBondContact O-N 2.89Å; V225-V234 PolarHBondContact O-N 3.21Å; V225-F277 HydrophobicContact CG1-CB 4.38Å; V225-F277 HydrophobicContact CG1-CD1 4.11Å; V225-V280 HydrophobicContact CG1-CB 4.15Å; V225-V280 HydrophobicContact CG1-CG1 3.97Å; V225-V280 HydrophobicContact CG2-CG1 4.31Å; V225-M281 HydrophobicContact CG1-CB 4.35Å; V225-M281 HydrophobicContact CG2-CB 4.12Å; V225-A357 HydrophobicContact CB-CB 3.68Å; V225-A357 HydrophobicContact CG1-CB 3.63Å |
| 226 | N | 95.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -90 | 162.8 | 167.4 | 74.7 | 80.6 | 0 | 0 | 0 | 112.4 | S222 A223 M224 N228 G232 V234 F277 A357 P359 F367 | S222-N226 PolarHBondContact O-ND2 2.85Å; A223-N226 PolarHBondContact O-ND2 2.82Å; A223-N226 VanDerWaalsContact O-O 3.12Å; M224-N226 CarbonylContact C-O 3.55Å; N226-N228 WeakPolarHBondContact OD1-CB 3.27Å; N226-N228 PolarHBondContact OD1-N 2.92Å; N226-N228 VanDerWaalsContact OD1-N 3.11Å; N226-G232 WeakPolarHBondContact O-CA 2.93Å; N226-V234 CarbonylContact C-O 3.58Å; N226-V234 WeakPolarHBondContact CA-O 3.37Å; N226-F277 HydrophobicContact CB-CD1 4.2Å; N226-F277 HydrophobicContact CB-CE1 3.78Å; N226-A357 WeakPolarHBondContact CB-O 3.4Å; N226-A357 PolarHBondContact ND2-O 3.42Å; N226-P359 HydrophobicContact CB-CB 4.28Å; N226-P359 HydrophobicContact CB-CG 4.14Å; N226-F367 PolarHBondContact ND2-O 3.43Å |
| 227 | S | 92.4 | Very high | 91.2 | Very high | 19 Ų | 19 | 28 Ų | 28 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | trans | -109.4 | 19.7 | -176 | 78.3 | 0 | 0 | 0 | 0 | 114.1 | D230 V234 Q235 | S227-D230 CarbonylContact C-O 3.57Å; S227-D230 VanDerWaalsContact C-O 3.23Å; S227-D230 VanDerWaalsContact CA-O 3.26Å; S227-D230 WeakPolarHBondContact CA-O 3.49Å; S227-V234 WeakPolarHBondContact CB-O 3.41Å; S227-V234 PolarHBondContact N-O 3.45Å; S227-V234 PolarHBondContact OG-O 3.04Å; S227-Q235 WeakPolarHBondContact OG-CA 3.49Å; S227-Q235 WeakPolarHBondContact OG-CB 3.44Å | ||
| 228 | N | 84.7 | Confident | 90.7 | Very high | 75 Ų | 75 | 30.5 Ų | 30.5 | 40% | 0.401 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -79.4 | -39.3 | -166.9 | -75.9 | 48.3 | 0 | 0 | 0 | 113.1 | N226 P359 F367 | N226-N228 WeakPolarHBondContact OD1-CB 3.27Å; N226-N228 PolarHBondContact OD1-N 2.92Å; N226-N228 VanDerWaalsContact OD1-N 3.11Å; N228-P359 HydrophobicContact CB-CB 4.2Å; N228-P359 VanDerWaalsContact CG-CB 3.47Å; N228-P359 WeakPolarHBondContact ND2-CB 3.23Å; N228-P359 WeakPolarHBondContact OD1-CG 3.39Å; N228-F367 HydrophobicContact CB-CB 4.17Å; N228-F367 HydrophobicContact CB-CD2 3.32Å; N228-F367 HydrophobicContact CB-CE2 3.92Å; N228-F367 HydrophobicContact CB-CG 3.9Å |
| 229 | N | 70.6 | Confident | 89.8 | Confident | 55 Ų | 55 | 37 Ų | 37 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -100.3 | -20 | 178.4 | -53.6 | 97.9 | 0 | 0 | 0 | 113.2 | V366 F367 | N229-V366 HydrophobicContact CB-CG1 4.26Å; N229-F367 VanDerWaalsContact OD1-CB 3.28Å; N229-F367 WeakPolarHBondContact OD1-CB 3.37Å; N229-F367 VanDerWaalsContact OD1-CD2 3.22Å; N229-F367 WeakPolarHBondContact OD1-CD2 3.43Å; N229-F367 PolarHBondContact OD1-N 3.47Å |
| 230 | D | 62.4 | Low | 88.7 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 32% | 0.316 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -152.8 | 170.7 | -174.4 | -68.1 | -77.9 | 0 | 0 | 0 | 110.3 | P198 S227 G232 | P198-D230 HydrophobicContact CG-CB 4.08Å; P198-D230 WeakPolarHBondContact CG-OD2 3.36Å; S227-D230 CarbonylContact C-O 3.57Å; S227-D230 VanDerWaalsContact C-O 3.23Å; S227-D230 VanDerWaalsContact CA-O 3.26Å; S227-D230 WeakPolarHBondContact CA-O 3.49Å; D230-G232 PolarHBondContact O-N 3.08Å |
| 231 | R | 70.4 | Confident | 87.9 | Confident | 198 Ų | 198 | 43.9 Ų | 43.9 | 75% | 0.747 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -69.5 | 46.5 | 179.8 | -57 | 179.7 | -175.5 | 177.6 | 3.4 | 112.9 | W261 | R231-W261 PolarHBondContact O-NE1 3.16Š|
| 232 | G | 89.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -64.4 | -172.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | M224 N226 D230 W261 | M224-G232 CarbonylContact O-C 3.6Å; M224-G232 WeakPolarHBondContact O-CA 3.38Å; N226-G232 WeakPolarHBondContact O-CA 2.93Å; D230-G232 PolarHBondContact O-N 3.08Å; G232-W261 PolarHBondContact O-NE1 3.08Å; G232-W261 VanDerWaalsContact O-NE1 3.15Å | ||
| 233 | V | 97.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -76.2 | -54.4 | -160.7 | -175.2 | 0 | 0 | 0 | 0 | 112 | I193 M224 I257 L258 W261 V269 V280 | I193-V233 HydrophobicContact CD1-CG2 3.82Å; I193-V233 HydrophobicContact CG1-CG2 4.06Å; M224-V233 PolarHBondContact O-N 3.39Å; V233-I257 HydrophobicContact CG1-CG2 4.01Å; V233-L258 HydrophobicContact CG1-CD2 4.04Å; V233-W261 HydrophobicContact CG1-CB 4.18Å; V233-W261 HydrophobicContact CG1-CD2 4.48Å; V233-W261 HydrophobicContact CG1-CG 4.14Å; V233-W261 HydrophobicContact CG2-CD2 4.14Å; V233-W261 HydrophobicContact CG2-CE3 4.33Å; V233-W261 HydrophobicContact CG2-CH2 4.49Å; V233-W261 HydrophobicContact CG2-CZ2 4.33Å; V233-V269 WeakPolarHBondContact O-CB 3.23Å; V233-V269 PolarHBondContact O-N 3.06Å; V233-V280 HydrophobicContact CG1-CG1 4.25Å |
| 234 | V | 97.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.4 | -167.5 | -176 | 0 | 0 | 0 | 0 | 111.1 | V225 N226 S227 I257 V276 F277 V280 | V225-V234 PolarHBondContact O-N 3.21Å; N226-V234 CarbonylContact C-O 3.58Å; N226-V234 WeakPolarHBondContact CA-O 3.37Å; S227-V234 WeakPolarHBondContact CB-O 3.41Å; S227-V234 PolarHBondContact N-O 3.45Å; S227-V234 PolarHBondContact OG-O 3.04Å; V234-I257 HydrophobicContact CG2-CG2 3.74Å; V234-V276 HydrophobicContact CG1-CG1 4.33Å; V234-F277 HydrophobicContact CB-CD1 3.94Å; V234-F277 HydrophobicContact CB-CE1 3.57Å; V234-F277 HydrophobicContact CB-CZ 4.32Å; V234-F277 HydrophobicContact CG1-CD1 4.18Å; V234-F277 HydrophobicContact CG1-CE1 3.67Å; V234-F277 HydrophobicContact CG1-CZ 3.92Å; V234-F277 WeakPolarHBondContact O-CE1 3.32Å; V234-V280 HydrophobicContact CG2-CG2 4.22Å |
| 235 | Q | 95.9 | Very high | 86 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.1 | 172.6 | -175 | 171.7 | -2.2 | 0 | 0 | 110.8 | S227 P268 V269 K270 Y271 G272 | S227-Q235 WeakPolarHBondContact OG-CA 3.49Å; S227-Q235 WeakPolarHBondContact OG-CB 3.44Å; Q235-P268 HydrophobicContact CB-CB 4.15Å; Q235-V269 PolarHBondContact N-O 2.79Å; Q235-K270 HydrophobicContact CB-CG 4.15Å; Q235-Y271 HydrophobicContact CB-CD1 4.39Å; Q235-Y271 HydrophobicContact CG-CD1 4.24Å; Q235-Y271 HydrophobicContact CG-CE1 4.26Å; Q235-Y271 CarbonylContact O-C 3.54Å; Q235-Y271 VanDerWaalsContact O-CA 3.25Å; Q235-Y271 WeakPolarHBondContact O-CA 3.34Å; Q235-G272 PolarHBondContact O-N 3.34Å |
| 236 | G | 93.3 | Very high | 85.6 | Confident | 17 Ų | 17 | 58 Ų | 58 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 144.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | W238 G272 | G236-W238 VanDerWaalsContact CA-CZ3 3.44Å; G236-G272 WeakPolarHBondContact CA-O 3.24Å |
| 237 | Q | 90.7 | Very high | 85.3 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | trans | -153.4 | 127 | 170.6 | 179 | 58.9 | -77.2 | 0 | 0 | 111.6 | Y242 Y271 G272 Q273 | Q237-Y242 HydrophobicContact CB-CD1 4.23Å; Q237-Y242 HydrophobicContact CB-CE1 4.22Å; Q237-Y242 HydrophobicContact CG-CD1 3.7Å; Q237-Y242 HydrophobicContact CG-CE1 3.77Å; Q237-Y271 HydrophobicContact CB-CD1 3.5Å; Q237-Y271 VanDerWaalsContact CB-CD1 3.5Å; Q237-Y271 HydrophobicContact CB-CD2 4.43Å; Q237-Y271 HydrophobicContact CB-CE1 4.12Å; Q237-Y271 HydrophobicContact CB-CG 3.67Å; Q237-Y271 HydrophobicContact CG-CD1 4.33Å; Q237-Y271 HydrophobicContact CG-CG 4.36Å; Q237-G272 PolarHBondContact N-O 2.68Å; Q237-G272 VanDerWaalsContact N-O 3.14Å; Q237-Q273 WeakPolarHBondContact O-CG 3.48Å; Q237-Q273 PolarHBondContact O-NE2 3.12Å | ||
| 238 | W | 86.5 | Confident | 85.2 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 20% | 0.197 | 31% | 0.311 | C | S | . | . | trans | -129 | 13.1 | -177 | -72.4 | -96.5 | 0 | 0 | 0 | 113.5 | G236 Q273 F277 W330 T358 P359 L537 Y538 T539 | G236-W238 VanDerWaalsContact CA-CZ3 3.44Å; W238-Q273 HydrophobicContact CD2-CG 4.2Å; W238-Q273 HydrophobicContact CG-CG 4.27Å; W238-Q273 HydrophobicContact CZ2-CB 4.27Å; W238-Q273 HydrophobicContact CZ2-CG 4.31Å; W238-F277 HydrophobicContact CH2-CD2 4.45Å; W238-F277 AromaticContact CH2-CE2 3.56Å; W238-F277 HydrophobicContact CH2-CE2 3.56Å; W238-F277 HydrophobicContact CH2-CZ 4.24Å; W238-F277 HydrophobicContact CZ2-CE2 4.02Å; W238-W330 HydrophobicContact CZ2-CH2 4.22Å; W238-W330 AromaticContact NE1-CH2 3.71Å; W238-W330 AromaticContact NE1-CZ3 3.94Å; W238-T358 HydrophobicContact CH2-CG2 4.02Å; W238-T358 HydrophobicContact CZ2-CG2 3.82Å; W238-P359 HydrophobicContact CH2-CG 4.45Å; W238-L537 WeakPolarHBondContact O-CD1 3.27Å; W238-Y538 AromaticContact CD1-CE1 3.63Å; W238-Y538 AromaticContact CD1-CZ 3.87Å; W238-Y538 AromaticContact NE1-CE1 3.76Å; W238-Y538 AromaticContact NE1-CZ 3.59Å; W238-Y538 PolarHBondContact NE1-OH 2.87Å; W238-T539 HydrophobicContact CG-CG2 4.48Å | ||
| 239 | Q | 80 | Confident | 85.2 | Confident | 137 Ų | 137 | 54.2 Ų | 54.2 | 64% | 0.64 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -93 | 5.5 | -178.3 | -62.5 | -177.8 | 14.7 | 0 | 0 | 114.1 | K241 | Q239-K241 PolarHBondContact O-N 3.47Š|
| 240 | G | 73.8 | Confident | 85.9 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 70.7 | 8.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 241 | K | 81.3 | Confident | 87.2 | Confident | 149 Ų | 149 | 53 Ų | 53 | 65% | 0.648 | 28% | 0.284 | S | S | * | . | trans | -121.1 | 119 | 174.2 | -62.7 | -178 | -177.6 | 179.3 | 0 | 109.3 | Q239 | Q239-K241 PolarHBondContact O-N 3.47Š| ||
| 242 | Y | 85.3 | Confident | 88 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | trans | -118.4 | 23.7 | -170.5 | -51.6 | -62.6 | 0 | 0 | 0 | 113.5 | Q237 G244 G245 P248 Y271 Q273 | Q237-Y242 HydrophobicContact CB-CD1 4.23Å; Q237-Y242 HydrophobicContact CB-CE1 4.22Å; Q237-Y242 HydrophobicContact CG-CD1 3.7Å; Q237-Y242 HydrophobicContact CG-CE1 3.77Å; Y242-G244 PolarHBondContact O-N 2.95Å; Y242-G245 PolarHBondContact O-N 3.46Å; Y242-G245 VanDerWaalsContact O-N 3.1Å; Y242-P248 VanDerWaalsContact CD1-CD 3.47Å; Y242-P248 HydrophobicContact CD1-CG 4.23Å; Y242-P248 HydrophobicContact CE1-CG 3.74Å; Y242-Y271 HydrophobicContact CD1-CD2 4.25Å; Y242-Q273 PolarHBondContact OH-NE2 3.26Å; Y242-Q273 VanDerWaalsContact OH-NE2 3.12Å | ||
| 243 | D | 86.1 | Confident | 88.1 | Confident | 140 Ų | 140 | 44.7 Ų | 44.7 | 75% | 0.749 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.1 | 178.6 | -61.5 | -53.7 | 0 | 0 | 0 | 112 | G245 Y271 | D243-G245 VanDerWaalsContact C-N 3.28Å; D243-G245 PolarHBondContact O-N 3.06Å; D243-Y271 PolarHBondContact O-OH 3.48Å |
| 244 | G | 86.3 | Confident | 88.1 | Confident | 77 Ų | 77 | 44.7 Ų | 44.7 | 79% | 0.794 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 10.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y242 | Y242-G244 PolarHBondContact O-N 2.95Š|
| 245 | G | 89.8 | Confident | 87.9 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -145.9 | -164.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y242 D243 | Y242-G245 PolarHBondContact O-N 3.46Å; Y242-G245 VanDerWaalsContact O-N 3.1Å; D243-G245 VanDerWaalsContact C-N 3.28Å; D243-G245 PolarHBondContact O-N 3.06Å |
| 246 | T | 89.4 | Confident | 87.8 | Confident | 35 Ų | 35 | 45 Ų | 45 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | trans | -106.4 | 133.9 | 173.6 | -58.3 | 0 | 0 | 0 | 0 | 108.1 | H250 W251 K260 K270 Y271 | T246-H250 HydrophobicContact CG2-CB 3.88Å; T246-W251 HydrophobicContact CG2-CD2 4.28Å; T246-W251 HydrophobicContact CG2-CH2 4.34Å; T246-W251 HydrophobicContact CG2-CZ2 3.88Å; T246-K260 PolarHBondContact OG1-NZ 3.32Å; T246-K270 PolarHBondContact N-O 3.18Å; T246-Y271 PolarHBondContact O-N 3.35Å | ||
| 247 | S | 87.9 | Confident | 88 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | trans | -55.1 | 133.7 | 172.8 | 170.2 | 0 | 0 | 0 | 0 | 109.4 | L249 H250 E578 | S247-L249 PolarHBondContact O-N 3.4Å; S247-L249 PolarHBondContact OG-N 3.39Å; S247-H250 WeakPolarHBondContact O-CB 3.31Å; S247-H250 PolarHBondContact O-N 2.94Å; S247-E578 PolarHBondContact OG-OE2 2.93Å | ||
| 248 | P | 89.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -52.7 | -27.8 | 175.5 | -28.5 | 36.2 | 0 | 0 | 0 | 114 | Y242 Q273 W275 V276 | Y242-P248 VanDerWaalsContact CD1-CD 3.47Å; Y242-P248 HydrophobicContact CD1-CG 4.23Å; Y242-P248 HydrophobicContact CE1-CG 3.74Å; P248-Q273 HydrophobicContact CB-CB 4.03Å; P248-Q273 HydrophobicContact CB-CG 3.71Å; P248-Q273 HydrophobicContact CG-CG 3.73Å; P248-W275 HydrophobicContact CB-CZ2 4.16Å; P248-W275 PolarHBondContact O-NE1 3.33Å; P248-V276 HydrophobicContact CB-CG2 4.32Å |
| 249 | L | 85.1 | Confident | 88.7 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -72.7 | -29.9 | 178.7 | -68.9 | 168.2 | 0 | 0 | 0 | 112.1 | S247 W251 W275 E578 K695 | S247-L249 PolarHBondContact O-N 3.4Å; S247-L249 PolarHBondContact OG-N 3.39Å; L249-W251 PolarHBondContact O-N 3.4Å; L249-W275 HydrophobicContact CD2-CH2 3.75Å; L249-W275 HydrophobicContact CD2-CZ2 3.52Å; L249-W275 HydrophobicContact CG-CH2 4.39Å; L249-W275 HydrophobicContact CG-CZ2 4.09Å; L249-E578 HydrophobicContact CD1-CB 3.24Å; L249-E578 HydrophobicContact CD1-CG 4.34Å; L249-E578 WeakPolarHBondContact CD1-OE2 3.02Å; L249-K695 WeakPolarHBondContact O-CE 3.46Å; L249-K695 PolarHBondContact O-NZ 3.19Å |
| 250 | H | 86.2 | Confident | 89.5 | Confident | 66 Ų | 66 | 40.1 Ų | 40.1 | 31% | 0.306 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -72.1 | -16.8 | -176.9 | -68.1 | -160.1 | 0 | 0 | 0 | 113 | T246 S247 D693 | T246-H250 HydrophobicContact CG2-CB 3.88Å; S247-H250 WeakPolarHBondContact O-CB 3.31Å; S247-H250 PolarHBondContact O-N 2.94Å; H250-D693 IonicContact CD2-OD1 3.24Å; H250-D693 IonicContact CD2-OD2 3.51Å; H250-D693 PolarHBondContact CD2-OD2 2.63Å; H250-D693 IonicContact CG-OD2 2.67Å; H250-D693 IonicContact NE2-OD1 2.71Å; H250-D693 IonicContact NE2-OD2 3.69Å; H250-D693 PolarHBondContact NE2-OD2 2.64Å |
| 251 | W | 89.3 | Confident | 90.5 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | trans | -69.8 | 136.4 | 175.8 | -61.6 | 115.8 | 0 | 0 | 0 | 111.7 | W177 T246 L249 A256 I257 K260 V269 Y271 V276 | W177-W251 HydrophobicContact CH2-CB 3.78Å; W177-W251 HydrophobicContact CZ3-CB 4.05Å; T246-W251 HydrophobicContact CG2-CD2 4.28Å; T246-W251 HydrophobicContact CG2-CH2 4.34Å; T246-W251 HydrophobicContact CG2-CZ2 3.88Å; L249-W251 PolarHBondContact O-N 3.4Å; W251-A256 HydrophobicContact CZ3-CB 4.08Å; W251-I257 HydrophobicContact CB-CD1 4.32Å; W251-I257 HydrophobicContact CD2-CD1 3.75Å; W251-I257 HydrophobicContact CD2-CG1 3.61Å; W251-I257 HydrophobicContact CE3-CD1 3.99Å; W251-I257 HydrophobicContact CE3-CG1 3.42Å; W251-I257 VanDerWaalsContact CE3-CG1 3.42Å; W251-I257 HydrophobicContact CG-CD1 3.9Å; W251-I257 HydrophobicContact CG-CG1 4.3Å; W251-I257 HydrophobicContact CH2-CG1 3.89Å; W251-I257 HydrophobicContact CZ2-CG1 4.06Å; W251-I257 HydrophobicContact CZ3-CG1 3.57Å; W251-K260 HydrophobicContact CH2-CD 4.16Å; W251-V269 HydrophobicContact CH2-CG1 3.91Å; W251-V269 HydrophobicContact CZ2-CG1 3.68Å; W251-Y271 PolarHBondContact NE1-O 3.23Å; W251-V276 HydrophobicContact CB-CG2 4.48Å; W251-V276 HydrophobicContact CG-CG1 4.46Å | ||
| 252 | R | 87.6 | Confident | 91.2 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | trans | -120.6 | -8.3 | -179.4 | -65.4 | -168.7 | -149.4 | 89.9 | 7.5 | 112.8 | W177 N178 M642 E644 Q683 D685 | W177-R252 WeakPolarHBondContact CA-O 3.07Å; N178-R252 PolarHBondContact N-O 3.4Å; R252-M642 VanDerWaalsContact NH2-CB 3.33Å; R252-E644 HydrophobicContact CB-CG 4.22Å; R252-E644 WeakPolarHBondContact CB-OE1 3.32Å; R252-E644 WeakPolarHBondContact CB-OE2 3.46Å; R252-E644 WeakPolarHBondContact CD-OE2 3.49Å; R252-E644 IonicContact CZ-OE2 3.15Å; R252-E644 IonicContact NH1-OE2 2.74Å; R252-E644 PolarHBondContact NH1-OE2 2.7Å; R252-Q683 VanDerWaalsContact CB-OE1 3.3Å; R252-Q683 PolarHBondContact O-NE2 2.85Å; R252-Q683 PolarHBondContact O-OE1 3.26Å; R252-D685 IonicContact CZ-OD2 3.93Å; R252-D685 IonicContact NE-OD2 2.74Å; R252-D685 PolarHBondContact NE-OD2 2.88Å; R252-D685 IonicContact NH2-OD2 2.97Å; R252-D685 PolarHBondContact NH2-OD2 2.92Å | ||
| 253 | G | 92.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -173.1 | 173.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N178 | N178-G253 CarbonylContact O-C 3.52Å; N178-G253 WeakPolarHBondContact O-CA 3.02Å |
| 254 | S | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -86.8 | -25.5 | -176.8 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | W177 N178 A256 I257 L258 G279 V280 T283 | W177-S254 PolarHBondContact NE1-OG 3.39Å; N178-S254 PolarHBondContact O-N 3.37Å; S254-A256 PolarHBondContact O-N 2.88Å; S254-I257 PolarHBondContact O-N 2.87Å; S254-L258 WeakPolarHBondContact O-CB 3.37Å; S254-L258 WeakPolarHBondContact O-CG 3.39Å; S254-L258 PolarHBondContact O-N 2.99Å; S254-G279 PolarHBondContact OG-O 3Å; S254-V280 VanDerWaalsContact OG-CA 3.31Å; S254-V280 WeakPolarHBondContact OG-CA 3.49Å; S254-V280 PolarHBondContact OG-N 2.85Å; S254-T283 WeakPolarHBondContact CB-OG1 3.4Å; S254-T283 PolarHBondContact OG-OG1 2.87Å |
| 255 | V | 93.3 | Very high | 92.5 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.3 | -54.7 | -176.5 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | E183 I186 I257 L258 Q259 | E183-V255 HydrophobicContact CB-CG1 4.1Å; E183-V255 HydrophobicContact CB-CG2 4.13Å; E183-V255 HydrophobicContact CG-CG1 4.48Å; E183-V255 HydrophobicContact CG-CG2 3.98Å; I186-V255 HydrophobicContact CD1-CB 4.4Å; I186-V255 HydrophobicContact CD1-CG1 4.16Å; V255-I257 VanDerWaalsContact C-N 3.28Å; V255-I257 PolarHBondContact O-N 2.75Å; V255-L258 PolarHBondContact O-N 2.9Å; V255-Q259 HydrophobicContact CG1-CG 4.44Å; V255-Q259 WeakPolarHBondContact O-CB 3.34Å; V255-Q259 WeakPolarHBondContact O-CG 3.33Å; V255-Q259 PolarHBondContact O-N 2.94Å |
| 256 | A | 92.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 42 Ų | 42 | 45% | 0.446 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.8 | -36.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W251 S254 K260 | W251-A256 HydrophobicContact CZ3-CB 4.08Å; S254-A256 PolarHBondContact O-N 2.88Å; A256-K260 WeakPolarHBondContact O-CB 3.49Å; A256-K260 PolarHBondContact O-N 3.23Å |
| 257 | I | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -52.6 | 178.1 | -62.2 | 171.4 | 0 | 0 | 0 | 109.9 | W177 V233 V234 W251 S254 V255 Q259 K260 W261 V269 V276 V280 | W177-I257 HydrophobicContact CH2-CD1 4.37Å; W177-I257 HydrophobicContact CZ2-CD1 4.34Å; V233-I257 HydrophobicContact CG1-CG2 4.01Å; V234-I257 HydrophobicContact CG2-CG2 3.74Å; W251-I257 HydrophobicContact CB-CD1 4.32Å; W251-I257 HydrophobicContact CD2-CD1 3.75Å; W251-I257 HydrophobicContact CD2-CG1 3.61Å; W251-I257 HydrophobicContact CE3-CD1 3.99Å; W251-I257 HydrophobicContact CE3-CG1 3.42Å; W251-I257 VanDerWaalsContact CE3-CG1 3.42Å; W251-I257 HydrophobicContact CG-CD1 3.9Å; W251-I257 HydrophobicContact CG-CG1 4.3Å; W251-I257 HydrophobicContact CH2-CG1 3.89Å; W251-I257 HydrophobicContact CZ2-CG1 4.06Å; W251-I257 HydrophobicContact CZ3-CG1 3.57Å; S254-I257 PolarHBondContact O-N 2.87Å; V255-I257 VanDerWaalsContact C-N 3.28Å; V255-I257 PolarHBondContact O-N 2.75Å; I257-Q259 PolarHBondContact O-N 3.11Å; I257-K260 PolarHBondContact O-N 2.96Å; I257-W261 PolarHBondContact O-N 2.84Å; I257-V269 HydrophobicContact CG2-CB 4.18Å; I257-V269 HydrophobicContact CG2-CG1 4.14Å; I257-V269 HydrophobicContact CG2-CG2 4.36Å; I257-V276 HydrophobicContact CD1-CG1 3.5Å; I257-V276 VanDerWaalsContact CD1-CG1 3.5Å; I257-V280 HydrophobicContact CB-CG2 4.28Å; I257-V280 HydrophobicContact CD1-CG2 3.8Å; I257-V280 HydrophobicContact CG2-CG2 4.01Å |
| 258 | L | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | -177.8 | -71.6 | 171 | 0 | 0 | 0 | 111.6 | I186 I189 I193 V233 S254 V255 K260 W261 L262 V280 T283 V284 | I186-L258 HydrophobicContact CD1-CB 3.95Å; I186-L258 HydrophobicContact CD1-CD1 4.15Å; I186-L258 HydrophobicContact CG2-CD1 4.19Å; I189-L258 HydrophobicContact CD1-CB 4.23Å; I189-L258 HydrophobicContact CG2-CB 4.03Å; I189-L258 HydrophobicContact CG2-CD2 3.9Å; I193-L258 HydrophobicContact CD1-CD2 4.02Å; V233-L258 HydrophobicContact CG1-CD2 4.04Å; S254-L258 WeakPolarHBondContact O-CB 3.37Å; S254-L258 WeakPolarHBondContact O-CG 3.39Å; S254-L258 PolarHBondContact O-N 2.99Å; V255-L258 PolarHBondContact O-N 2.9Å; L258-K260 PolarHBondContact O-N 3.45Å; L258-W261 WeakPolarHBondContact O-CB 3.47Å; L258-W261 PolarHBondContact O-N 2.67Å; L258-L262 PolarHBondContact O-N 3.03Å; L258-V280 HydrophobicContact CD2-CG1 4.03Å; L258-V280 HydrophobicContact CG-CG1 4.45Å; L258-T283 HydrophobicContact CD1-CG2 3.93Å; L258-V284 HydrophobicContact CD2-CG2 4.39Å |
| 259 | Q | 95.6 | Very high | 93.6 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 176.2 | -70.7 | 178.8 | -12.8 | 0 | 0 | 112.2 | E184 I186 I189 V255 I257 W261 L262 K263 | E184-Q259 PolarHBondContact O-NE2 3.27Å; I186-Q259 HydrophobicContact CD1-CG 4.22Å; I189-Q259 HydrophobicContact CD1-CG 4.25Å; V255-Q259 HydrophobicContact CG1-CG 4.44Å; V255-Q259 WeakPolarHBondContact O-CB 3.34Å; V255-Q259 WeakPolarHBondContact O-CG 3.33Å; V255-Q259 PolarHBondContact O-N 2.94Å; I257-Q259 PolarHBondContact O-N 3.11Å; Q259-W261 VanDerWaalsContact C-N 3.34Å; Q259-L262 PolarHBondContact O-N 2.79Å; Q259-K263 WeakPolarHBondContact O-CB 3.46Å; Q259-K263 VanDerWaalsContact O-CG 3.27Å; Q259-K263 WeakPolarHBondContact O-CG 3.21Å; Q259-K263 PolarHBondContact O-N 3.1Å |
| 260 | K | 95.6 | Very high | 94.1 | Very high | 94 Ų | 94 | 52.3 Ų | 52.3 | 41% | 0.409 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 174.4 | -174.6 | 172.6 | 179.4 | -179.6 | 0 | 111.4 | T246 W251 A256 I257 L258 G264 V269 | T246-K260 PolarHBondContact OG1-NZ 3.32Å; W251-K260 HydrophobicContact CH2-CD 4.16Å; A256-K260 WeakPolarHBondContact O-CB 3.49Å; A256-K260 PolarHBondContact O-N 3.23Å; I257-K260 PolarHBondContact O-N 2.96Å; L258-K260 PolarHBondContact O-N 3.45Å; K260-G264 WeakPolarHBondContact O-CA 3.39Å; K260-G264 PolarHBondContact O-N 3.28Å; K260-V269 HydrophobicContact CB-CG2 4.24Å; K260-V269 HydrophobicContact CD-CG1 3.97Å; K260-V269 HydrophobicContact CG-CG1 4.47Å; K260-V269 HydrophobicContact CG-CG2 4.25Å |
| 261 | W | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 173.5 | -175.6 | 72 | 0 | 0 | 0 | 111.1 | I189 I193 R231 G232 V233 I257 L258 Q259 G264 Y266 V269 | I189-W261 HydrophobicContact CG2-CE3 3.79Å; I189-W261 HydrophobicContact CG2-CZ3 3.93Å; I193-W261 HydrophobicContact CB-CH2 4.49Å; I193-W261 HydrophobicContact CD1-CZ3 4.47Å; I193-W261 HydrophobicContact CG1-CE3 4.46Å; I193-W261 HydrophobicContact CG1-CH2 3.7Å; I193-W261 HydrophobicContact CG1-CZ3 3.54Å; R231-W261 PolarHBondContact O-NE1 3.16Å; G232-W261 PolarHBondContact O-NE1 3.08Å; G232-W261 VanDerWaalsContact O-NE1 3.15Å; V233-W261 HydrophobicContact CG1-CB 4.18Å; V233-W261 HydrophobicContact CG1-CD2 4.48Å; V233-W261 HydrophobicContact CG1-CG 4.14Å; V233-W261 HydrophobicContact CG2-CD2 4.14Å; V233-W261 HydrophobicContact CG2-CE3 4.33Å; V233-W261 HydrophobicContact CG2-CH2 4.49Å; V233-W261 HydrophobicContact CG2-CZ2 4.33Å; I257-W261 PolarHBondContact O-N 2.84Å; L258-W261 WeakPolarHBondContact O-CB 3.47Å; L258-W261 PolarHBondContact O-N 2.67Å; Q259-W261 VanDerWaalsContact C-N 3.34Å; W261-G264 PolarHBondContact O-N 3.28Å; W261-Y266 AromaticContact CD2-CD1 3.95Å; W261-Y266 HydrophobicContact CD2-CD1 3.95Å; W261-Y266 AromaticContact CE2-CD1 3.99Å; W261-Y266 AromaticContact CE3-CD1 3.71Å; W261-Y266 HydrophobicContact CE3-CD1 3.71Å; W261-Y266 HydrophobicContact CE3-CE1 4.31Å; W261-Y266 AromaticContact CH2-CD1 3.61Å; W261-Y266 HydrophobicContact CH2-CD1 3.61Å; W261-Y266 HydrophobicContact CH2-CE1 4.33Å; W261-Y266 HydrophobicContact CH2-CG 4.49Å; W261-Y266 AromaticContact CZ2-CD1 3.83Å; W261-Y266 HydrophobicContact CZ2-CD1 3.83Å; W261-Y266 HydrophobicContact CZ2-CG 4.34Å; W261-Y266 AromaticContact CZ3-CD1 3.54Å; W261-Y266 HydrophobicContact CZ3-CD1 3.54Å; W261-Y266 AromaticContact CZ3-CE1 3.99Å; W261-Y266 HydrophobicContact CZ3-CE1 3.99Å; W261-Y266 VanDerWaalsContact O-CA 3.28Å; W261-Y266 WeakPolarHBondContact O-CA 3.48Å; W261-Y266 PolarHBondContact O-N 2.81Å; W261-V269 HydrophobicContact CB-CG2 3.73Å |
| 262 | L | 95.5 | Very high | 94.7 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -54.2 | 175.5 | 179.9 | 63.5 | 0 | 0 | 0 | 112.3 | D185 I189 L258 Q259 G264 R265 Y266 | D185-L262 HydrophobicContact CB-CD2 4.17Å; I189-L262 HydrophobicContact CD1-CB 3.95Å; I189-L262 HydrophobicContact CD1-CD2 3.84Å; I189-L262 HydrophobicContact CD1-CG 4.49Å; I189-L262 HydrophobicContact CG1-CB 3.96Å; I189-L262 HydrophobicContact CG1-CD2 3.73Å; I189-L262 HydrophobicContact CG1-CG 4.26Å; L258-L262 PolarHBondContact O-N 3.03Å; Q259-L262 PolarHBondContact O-N 2.79Å; L262-G264 PolarHBondContact O-N 3.26Å; L262-R265 WeakPolarHBondContact O-CA 3.41Å; L262-R265 PolarHBondContact O-N 2.95Å; L262-Y266 HydrophobicContact CD1-CE1 3.64Å; L262-Y266 HydrophobicContact CD1-CE2 4.47Å; L262-Y266 WeakPolarHBondContact CD1-OH 3.32Å |
| 263 | K | 95.8 | Very high | 95 | Very high | 167 Ų | 167 | 48.4 Ų | 48.4 | 73% | 0.726 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.2 | -34.9 | 179.1 | -72.4 | 172.5 | -178.6 | 174.2 | 0 | 111.9 | Q259 R265 | Q259-K263 WeakPolarHBondContact O-CB 3.46Å; Q259-K263 VanDerWaalsContact O-CG 3.27Å; Q259-K263 WeakPolarHBondContact O-CG 3.21Å; Q259-K263 PolarHBondContact O-N 3.1Å; K263-R265 PolarHBondContact O-N 3.03Å; K263-R265 VanDerWaalsContact O-N 3.15Å |
| 264 | G | 94.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 5.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K260 W261 L262 Y266 K267 | K260-G264 WeakPolarHBondContact O-CA 3.39Å; K260-G264 PolarHBondContact O-N 3.28Å; W261-G264 PolarHBondContact O-N 3.28Å; L262-G264 PolarHBondContact O-N 3.26Å; G264-Y266 VanDerWaalsContact C-N 3.3Å; G264-Y266 PolarHBondContact O-N 3.36Å; G264-K267 VanDerWaalsContact O-CG 3.29Å; G264-K267 WeakPolarHBondContact O-CG 3.46Å; G264-K267 PolarHBondContact O-N 3.48Å |
| 265 | R | 94.2 | Very high | 95.2 | Very high | 213 Ų | 213 | 48.1 Ų | 48.1 | 80% | 0.804 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 46.3 | -171 | -54.1 | -175.7 | -171.8 | 176 | 2.1 | 111.6 | L262 K263 K267 | L262-R265 WeakPolarHBondContact O-CA 3.41Å; L262-R265 PolarHBondContact O-N 2.95Å; K263-R265 PolarHBondContact O-N 3.03Å; K263-R265 VanDerWaalsContact O-N 3.15Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 2.91Å |
| 266 | Y | 93.5 | Very high | 95.4 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 18% | 0.18 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 64 | 34.8 | 174.4 | -42 | -84 | 0 | 0 | 0 | 112.9 | R196 W261 L262 G264 | R196-Y266 VanDerWaalsContact CD-CD1 3.49Å; R196-Y266 VanDerWaalsContact NE-CD2 3.29Å; W261-Y266 AromaticContact CD2-CD1 3.95Å; W261-Y266 HydrophobicContact CD2-CD1 3.95Å; W261-Y266 AromaticContact CE2-CD1 3.99Å; W261-Y266 AromaticContact CE3-CD1 3.71Å; W261-Y266 HydrophobicContact CE3-CD1 3.71Å; W261-Y266 HydrophobicContact CE3-CE1 4.31Å; W261-Y266 AromaticContact CH2-CD1 3.61Å; W261-Y266 HydrophobicContact CH2-CD1 3.61Å; W261-Y266 HydrophobicContact CH2-CE1 4.33Å; W261-Y266 HydrophobicContact CH2-CG 4.49Å; W261-Y266 AromaticContact CZ2-CD1 3.83Å; W261-Y266 HydrophobicContact CZ2-CD1 3.83Å; W261-Y266 HydrophobicContact CZ2-CG 4.34Å; W261-Y266 AromaticContact CZ3-CD1 3.54Å; W261-Y266 HydrophobicContact CZ3-CD1 3.54Å; W261-Y266 AromaticContact CZ3-CE1 3.99Å; W261-Y266 HydrophobicContact CZ3-CE1 3.99Å; W261-Y266 VanDerWaalsContact O-CA 3.28Å; W261-Y266 WeakPolarHBondContact O-CA 3.48Å; W261-Y266 PolarHBondContact O-N 2.81Å; L262-Y266 HydrophobicContact CD1-CE1 3.64Å; L262-Y266 HydrophobicContact CD1-CE2 4.47Å; L262-Y266 WeakPolarHBondContact CD1-OH 3.32Å; G264-Y266 VanDerWaalsContact C-N 3.3Å; G264-Y266 PolarHBondContact O-N 3.36Å |
| 267 | K | 94 | Very high | 95.7 | Very high | 146 Ų | 146 | 44.7 Ų | 44.7 | 64% | 0.635 | 20% | 0.203 | S | C | * | . | P | Polyproline II helix | trans | -86.5 | 140.9 | 168.6 | -72.1 | 179.3 | -178.8 | -177.7 | 0 | 109 | G264 R265 V269 | G264-K267 VanDerWaalsContact O-CG 3.29Å; G264-K267 WeakPolarHBondContact O-CG 3.46Å; G264-K267 PolarHBondContact O-N 3.48Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 2.91Å; K267-V269 PolarHBondContact O-N 2.83Å |
| 268 | P | 95.7 | Very high | 95.8 | Very high | 43 Ų | 43 | 44.6 Ų | 44.6 | 28% | 0.279 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -52.3 | 136.1 | 179.8 | -29.6 | 36.5 | 0 | 0 | 0 | 113.4 | Q235 | Q235-P268 HydrophobicContact CB-CB 4.15Š|
| 269 | V | 96.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119.3 | 177.9 | 180 | 0 | 0 | 0 | 0 | 109.2 | V233 Q235 W251 I257 K260 W261 K267 | V233-V269 WeakPolarHBondContact O-CB 3.23Å; V233-V269 PolarHBondContact O-N 3.06Å; Q235-V269 PolarHBondContact N-O 2.79Å; W251-V269 HydrophobicContact CH2-CG1 3.91Å; W251-V269 HydrophobicContact CZ2-CG1 3.68Å; I257-V269 HydrophobicContact CG2-CB 4.18Å; I257-V269 HydrophobicContact CG2-CG1 4.14Å; I257-V269 HydrophobicContact CG2-CG2 4.36Å; K260-V269 HydrophobicContact CB-CG2 4.24Å; K260-V269 HydrophobicContact CD-CG1 3.97Å; K260-V269 HydrophobicContact CG-CG1 4.47Å; K260-V269 HydrophobicContact CG-CG2 4.25Å; W261-V269 HydrophobicContact CB-CG2 3.73Å; K267-V269 PolarHBondContact O-N 2.83Å |
| 270 | K | 94.9 | Very high | 96 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.6 | 178.1 | -69.2 | 175.6 | 170 | -172.8 | 0 | 110.4 | Q235 T246 | Q235-K270 HydrophobicContact CB-CG 4.15Å; T246-K270 PolarHBondContact N-O 3.18Å |
| 271 | Y | 94.2 | Very high | 96.1 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -128.6 | 164.8 | -8.1 | -65.6 | -79 | 0 | 0 | 0 | 111.2 | Q235 Q237 Y242 D243 T246 W251 | Q235-Y271 HydrophobicContact CB-CD1 4.39Å; Q235-Y271 HydrophobicContact CG-CD1 4.24Å; Q235-Y271 HydrophobicContact CG-CE1 4.26Å; Q235-Y271 CarbonylContact O-C 3.54Å; Q235-Y271 VanDerWaalsContact O-CA 3.25Å; Q235-Y271 WeakPolarHBondContact O-CA 3.34Å; Q237-Y271 HydrophobicContact CB-CD1 3.5Å; Q237-Y271 VanDerWaalsContact CB-CD1 3.5Å; Q237-Y271 HydrophobicContact CB-CD2 4.43Å; Q237-Y271 HydrophobicContact CB-CE1 4.12Å; Q237-Y271 HydrophobicContact CB-CG 3.67Å; Q237-Y271 HydrophobicContact CG-CD1 4.33Å; Q237-Y271 HydrophobicContact CG-CG 4.36Å; Y242-Y271 HydrophobicContact CD1-CD2 4.25Å; D243-Y271 PolarHBondContact O-OH 3.48Å; T246-Y271 PolarHBondContact O-N 3.35Å; W251-Y271 PolarHBondContact NE1-O 3.23Å |
| 272 | G | 95 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 162.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q235 G236 Q237 | Q235-G272 PolarHBondContact O-N 3.34Å; G236-G272 WeakPolarHBondContact CA-O 3.24Å; Q237-G272 PolarHBondContact N-O 2.68Å; Q237-G272 VanDerWaalsContact N-O 3.14Å |
| 273 | Q | 94.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | trans | -132 | 177.6 | 169.2 | -72.3 | 177.4 | -5.9 | 0 | 0 | 108.4 | Q237 W238 Y242 P248 W275 V276 F277 Y538 | Q237-Q273 WeakPolarHBondContact O-CG 3.48Å; Q237-Q273 PolarHBondContact O-NE2 3.12Å; W238-Q273 HydrophobicContact CD2-CG 4.2Å; W238-Q273 HydrophobicContact CG-CG 4.27Å; W238-Q273 HydrophobicContact CZ2-CB 4.27Å; W238-Q273 HydrophobicContact CZ2-CG 4.31Å; Y242-Q273 PolarHBondContact OH-NE2 3.26Å; Y242-Q273 VanDerWaalsContact OH-NE2 3.12Å; P248-Q273 HydrophobicContact CB-CB 4.03Å; P248-Q273 HydrophobicContact CB-CG 3.71Å; P248-Q273 HydrophobicContact CG-CG 3.73Å; Q273-W275 VanDerWaalsContact C-N 3.31Å; Q273-W275 HydrophobicContact CB-CD2 4.48Å; Q273-W275 HydrophobicContact CB-CE3 4.06Å; Q273-W275 HydrophobicContact CB-CH2 3.89Å; Q273-W275 HydrophobicContact CB-CZ2 4.22Å; Q273-W275 HydrophobicContact CB-CZ3 3.76Å; Q273-W275 HydrophobicContact CG-CH2 4.46Å; Q273-W275 PolarHBondContact O-N 3.03Å; Q273-W275 VanDerWaalsContact O-N 3.09Å; Q273-W275 VanDerWaalsContact OE1-CZ3 3.28Å; Q273-V276 WeakPolarHBondContact O-CA 3.25Å; Q273-V276 VanDerWaalsContact O-CB 3.29Å; Q273-V276 WeakPolarHBondContact O-CB 3.27Å; Q273-V276 PolarHBondContact O-N 3.4Å; Q273-F277 VanDerWaalsContact C-CD2 3.43Å; Q273-F277 WeakPolarHBondContact O-CD2 3.3Å; Q273-F277 PolarHBondContact O-N 2.83Å; Q273-F277 VanDerWaalsContact O-N 3.13Å; Q273-Y538 HydrophobicContact CB-CE1 4.38Å; Q273-Y538 HydrophobicContact CG-CE1 4.34Å | ||
| 274 | C | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -49.3 | -44.6 | -166.1 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | V276 F277 A278 W330 H333 V334 T358 Y538 | C274-V276 VanDerWaalsContact C-N 3.3Å; C274-V276 PolarHBondContact O-N 3.26Å; C274-F277 PolarHBondContact O-N 2.97Å; C274-A278 WeakPolarHBondContact O-CB 3.43Å; C274-A278 PolarHBondContact O-N 3.47Å; C274-W330 HydrophobicContact CB-CZ3 4.22Å; C274-H333 WeakPolarHBondContact CB-ND1 3.37Å; C274-V334 HydrophobicContact CB-CB 4.44Å; C274-T358 WeakPolarHBondContact CA-OG1 3.31Å; C274-T358 HydrophobicContact CB-CG2 4.11Å; C274-T358 WeakPolarHBondContact CB-OG1 3.34Å; C274-Y538 PolarHBondContact SG-OH 3.25Å |
| 275 | W | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -29.9 | 177.8 | 67.3 | 88.1 | 0 | 0 | 0 | 114 | I164 R166 W177 P248 L249 Q273 G279 F332 V334 Y538 | I164-W275 HydrophobicContact CD1-CB 4.1Å; I164-W275 HydrophobicContact CG2-CB 3.99Å; R166-W275 VanDerWaalsContact NH2-CH2 3.28Å; W177-W275 AromaticContact CZ3-CD1 3.95Å; P248-W275 HydrophobicContact CB-CZ2 4.16Å; P248-W275 PolarHBondContact O-NE1 3.33Å; L249-W275 HydrophobicContact CD2-CH2 3.75Å; L249-W275 HydrophobicContact CD2-CZ2 3.52Å; L249-W275 HydrophobicContact CG-CH2 4.39Å; L249-W275 HydrophobicContact CG-CZ2 4.09Å; Q273-W275 VanDerWaalsContact C-N 3.31Å; Q273-W275 HydrophobicContact CB-CD2 4.48Å; Q273-W275 HydrophobicContact CB-CE3 4.06Å; Q273-W275 HydrophobicContact CB-CH2 3.89Å; Q273-W275 HydrophobicContact CB-CZ2 4.22Å; Q273-W275 HydrophobicContact CB-CZ3 3.76Å; Q273-W275 HydrophobicContact CG-CH2 4.46Å; Q273-W275 PolarHBondContact O-N 3.03Å; Q273-W275 VanDerWaalsContact O-N 3.09Å; Q273-W275 VanDerWaalsContact OE1-CZ3 3.28Å; W275-G279 PolarHBondContact O-N 2.94Å; W275-F332 AromaticContact CE3-CE2 3.9Å; W275-F332 HydrophobicContact CE3-CE2 3.9Å; W275-F332 HydrophobicContact CE3-CZ 4.04Å; W275-F332 HydrophobicContact CZ3-CE2 4.26Å; W275-F332 AromaticContact CZ3-CZ 3.96Å; W275-F332 HydrophobicContact CZ3-CZ 3.96Å; W275-V334 HydrophobicContact CB-CB 4.31Å; W275-V334 HydrophobicContact CB-CG1 4.43Å; W275-V334 HydrophobicContact CB-CG2 4.11Å; W275-Y538 HydrophobicContact CH2-CE1 4.36Å; W275-Y538 HydrophobicContact CZ3-CD1 4.16Å; W275-Y538 AromaticContact CZ3-CE1 3.8Å; W275-Y538 HydrophobicContact CZ3-CE1 3.8Å; W275-Y538 HydrophobicContact CZ3-CE2 4.38Å; W275-Y538 AromaticContact CZ3-CZ 3.9Å |
| 276 | V | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.6 | -46.7 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | W177 V234 P248 W251 I257 Q273 C274 G279 V280 | W177-V276 HydrophobicContact CH2-CB 4.28Å; W177-V276 HydrophobicContact CH2-CG1 4.18Å; W177-V276 HydrophobicContact CH2-CG2 4.18Å; V234-V276 HydrophobicContact CG1-CG1 4.33Å; P248-V276 HydrophobicContact CB-CG2 4.32Å; W251-V276 HydrophobicContact CB-CG2 4.48Å; W251-V276 HydrophobicContact CG-CG1 4.46Å; I257-V276 HydrophobicContact CD1-CG1 3.5Å; I257-V276 VanDerWaalsContact CD1-CG1 3.5Å; Q273-V276 WeakPolarHBondContact O-CA 3.25Å; Q273-V276 VanDerWaalsContact O-CB 3.29Å; Q273-V276 WeakPolarHBondContact O-CB 3.27Å; Q273-V276 PolarHBondContact O-N 3.4Å; C274-V276 VanDerWaalsContact C-N 3.3Å; C274-V276 PolarHBondContact O-N 3.26Å; V276-G279 PolarHBondContact O-N 3.17Å; V276-V280 WeakPolarHBondContact O-CG2 3.39Å; V276-V280 PolarHBondContact O-N 3.44Å |
| 277 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | 174.6 | -65.8 | -75.6 | 0 | 0 | 0 | 110.5 | V225 N226 V234 W238 Q273 C274 G279 V280 M281 A357 T358 | V225-F277 HydrophobicContact CG1-CB 4.38Å; V225-F277 HydrophobicContact CG1-CD1 4.11Å; N226-F277 HydrophobicContact CB-CD1 4.2Å; N226-F277 HydrophobicContact CB-CE1 3.78Å; V234-F277 HydrophobicContact CB-CD1 3.94Å; V234-F277 HydrophobicContact CB-CE1 3.57Å; V234-F277 HydrophobicContact CB-CZ 4.32Å; V234-F277 HydrophobicContact CG1-CD1 4.18Å; V234-F277 HydrophobicContact CG1-CE1 3.67Å; V234-F277 HydrophobicContact CG1-CZ 3.92Å; V234-F277 WeakPolarHBondContact O-CE1 3.32Å; W238-F277 HydrophobicContact CH2-CD2 4.45Å; W238-F277 AromaticContact CH2-CE2 3.56Å; W238-F277 HydrophobicContact CH2-CE2 3.56Å; W238-F277 HydrophobicContact CH2-CZ 4.24Å; W238-F277 HydrophobicContact CZ2-CE2 4.02Å; Q273-F277 VanDerWaalsContact C-CD2 3.43Å; Q273-F277 WeakPolarHBondContact O-CD2 3.3Å; Q273-F277 PolarHBondContact O-N 2.83Å; Q273-F277 VanDerWaalsContact O-N 3.13Å; C274-F277 PolarHBondContact O-N 2.97Å; F277-G279 VanDerWaalsContact C-N 3.34Å; F277-G279 PolarHBondContact O-N 3.29Å; F277-V280 PolarHBondContact O-N 3.47Å; F277-M281 VanDerWaalsContact O-CB 3.31Å; F277-M281 WeakPolarHBondContact O-CB 3.43Å; F277-M281 PolarHBondContact O-N 3.43Å; F277-A357 HydrophobicContact CB-CB 4.08Å; F277-T358 HydrophobicContact CD2-CG2 4.4Å |
| 278 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C274 C282 V294 V334 N336 | C274-A278 WeakPolarHBondContact O-CB 3.43Å; C274-A278 PolarHBondContact O-N 3.47Å; A278-C282 VanDerWaalsContact O-CB 3.23Å; A278-C282 WeakPolarHBondContact O-CB 3.15Å; A278-C282 PolarHBondContact O-N 3.43Å; A278-V294 HydrophobicContact CB-CG1 4.24Å; A278-V334 HydrophobicContact CB-CB 4.37Å; A278-V334 HydrophobicContact CB-CG1 3.67Å; A278-N336 VanDerWaalsContact CA-OD1 3.23Å; A278-N336 WeakPolarHBondContact CA-OD1 3.35Å; A278-N336 PolarHBondContact O-ND2 3.18Å; A278-N336 PolarHBondContact O-OD1 3.37Å |
| 279 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S254 W275 V276 F277 C282 T283 | S254-G279 PolarHBondContact OG-O 3Å; W275-G279 PolarHBondContact O-N 2.94Å; V276-G279 PolarHBondContact O-N 3.17Å; F277-G279 VanDerWaalsContact C-N 3.34Å; F277-G279 PolarHBondContact O-N 3.29Å; G279-C282 PolarHBondContact O-N 2.97Å; G279-T283 PolarHBondContact O-N 3.32Å; G279-T283 VanDerWaalsContact O-N 3.08Å; G279-T283 PolarHBondContact O-OG1 2.78Å |
| 280 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 111 | V225 V233 V234 S254 I257 L258 V276 F277 C282 T283 V284 | V225-V280 HydrophobicContact CG1-CB 4.15Å; V225-V280 HydrophobicContact CG1-CG1 3.97Å; V225-V280 HydrophobicContact CG2-CG1 4.31Å; V233-V280 HydrophobicContact CG1-CG1 4.25Å; V234-V280 HydrophobicContact CG2-CG2 4.22Å; S254-V280 VanDerWaalsContact OG-CA 3.31Å; S254-V280 WeakPolarHBondContact OG-CA 3.49Å; S254-V280 PolarHBondContact OG-N 2.85Å; I257-V280 HydrophobicContact CB-CG2 4.28Å; I257-V280 HydrophobicContact CD1-CG2 3.8Å; I257-V280 HydrophobicContact CG2-CG2 4.01Å; L258-V280 HydrophobicContact CD2-CG1 4.03Å; L258-V280 HydrophobicContact CG-CG1 4.45Å; V276-V280 WeakPolarHBondContact O-CG2 3.39Å; V276-V280 PolarHBondContact O-N 3.44Å; F277-V280 PolarHBondContact O-N 3.47Å; V280-C282 PolarHBondContact O-N 3.2Å; V280-T283 WeakPolarHBondContact O-CB 3.49Å; V280-T283 PolarHBondContact O-N 2.78Å; V280-V284 WeakPolarHBondContact O-CG2 3.48Å; V280-V284 PolarHBondContact O-N 3.21Å |
| 281 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 178.2 | 179 | 164.5 | -165.7 | 0 | 0 | 112.2 | I221 V225 F277 T283 V284 L285 N336 L355 A357 | I221-M281 HydrophobicContact CG2-CE 4.22Å; I221-M281 HydrophobicContact CG2-CG 4.07Å; V225-M281 HydrophobicContact CG1-CB 4.35Å; V225-M281 HydrophobicContact CG2-CB 4.12Å; F277-M281 VanDerWaalsContact O-CB 3.31Å; F277-M281 WeakPolarHBondContact O-CB 3.43Å; F277-M281 PolarHBondContact O-N 3.43Å; M281-T283 VanDerWaalsContact C-N 3.31Å; M281-T283 PolarHBondContact O-N 3.45Å; M281-V284 PolarHBondContact O-N 3.36Å; M281-L285 HydrophobicContact CE-CD1 3.73Å; M281-L285 HydrophobicContact CG-CD1 3.65Å; M281-L285 HydrophobicContact CG-CG 4.38Å; M281-L285 WeakPolarHBondContact O-CG 3.17Å; M281-L285 PolarHBondContact O-N 3.27Å; M281-N336 WeakPolarHBondContact CB-OD1 3.27Å; M281-N336 WeakPolarHBondContact CG-OD1 3.48Å; M281-N336 HydrophobicContact SD-CB 4.46Å; M281-L355 HydrophobicContact CE-CB 3.46Å; M281-L355 VanDerWaalsContact CE-CB 3.46Å; M281-L355 HydrophobicContact CE-CD1 3.96Å; M281-L355 HydrophobicContact CE-CD2 4.08Å; M281-L355 HydrophobicContact CE-CG 4.04Å; M281-L355 HydrophobicContact SD-CB 4.24Å; M281-A357 HydrophobicContact CB-CB 4.34Å; M281-A357 HydrophobicContact SD-CB 3.73Å |
| 282 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 0.3 Ų | 0.3 | 0% | 0 | 0% | 0.001 | C | C | . | . | H | α-helix | trans | -56.6 | -46.1 | 174.9 | -168.1 | 0 | 0 | 0 | 0 | 111.4 | Y179 A278 G279 V280 V284 L285 R286 T292 V294 N336 | Y179-C282 HydrophobicContact CD1-CB 3.93Å; Y179-C282 HydrophobicContact CE1-CB 3.53Å; Y179-C282 VanDerWaalsContact CE1-SG 3.58Å; Y179-C282 VanDerWaalsContact CZ-SG 3.58Å; A278-C282 VanDerWaalsContact O-CB 3.23Å; A278-C282 WeakPolarHBondContact O-CB 3.15Å; A278-C282 PolarHBondContact O-N 3.43Å; G279-C282 PolarHBondContact O-N 2.97Å; V280-C282 PolarHBondContact O-N 3.2Å; C282-V284 PolarHBondContact O-N 2.85Å; C282-L285 PolarHBondContact O-N 3.15Å; C282-R286 WeakPolarHBondContact O-CB 3.42Å; C282-R286 VanDerWaalsContact O-CG 3.3Å; C282-R286 WeakPolarHBondContact O-CG 3.41Å; C282-R286 PolarHBondContact O-N 3.04Å; C282-R286 PolarHBondContact SG-NE 3.24Å; C282-R286 VanDerWaalsContact SG-NE 3.4Å; C282-T292 HydrophobicContact CB-CG2 4.37Å; C282-V294 HydrophobicContact CB-CG2 3.89Å; C282-N336 WeakPolarHBondContact CB-ND2 3.46Å |
| 283 | T | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 0% | 0.004 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | Y179 Q181 I186 S254 L258 G279 V280 M281 L285 C287 | Y179-T283 VanDerWaalsContact CA-OG1 3.28Å; Y179-T283 WeakPolarHBondContact CA-OG1 3.37Å; Y179-T283 WeakPolarHBondContact CB-OG1 3.39Å; Y179-T283 WeakPolarHBondContact O-CG2 3.46Å; Y179-T283 PolarHBondContact O-OG1 2.83Å; Q181-T283 HydrophobicContact CB-CG2 4.26Å; I186-T283 HydrophobicContact CG2-CG2 4.11Å; S254-T283 WeakPolarHBondContact CB-OG1 3.4Å; S254-T283 PolarHBondContact OG-OG1 2.87Å; L258-T283 HydrophobicContact CD1-CG2 3.93Å; G279-T283 PolarHBondContact O-N 3.32Å; G279-T283 VanDerWaalsContact O-N 3.08Å; G279-T283 PolarHBondContact O-OG1 2.78Å; V280-T283 WeakPolarHBondContact O-CB 3.49Å; V280-T283 PolarHBondContact O-N 2.78Å; M281-T283 VanDerWaalsContact C-N 3.31Å; M281-T283 PolarHBondContact O-N 3.45Å; T283-L285 PolarHBondContact O-N 2.84Å; T283-C287 WeakPolarHBondContact O-CB 3.46Å; T283-C287 PolarHBondContact O-N 2.7Å |
| 284 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.1 Ų | 1.1 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | -179.1 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | C190 I193 I221 L258 V280 M281 C282 C287 L288 | C190-V284 HydrophobicContact CB-CG1 4.14Å; I193-V284 HydrophobicContact CD1-CG1 4.25Å; I193-V284 HydrophobicContact CD1-CG2 3.61Å; I221-V284 HydrophobicContact CD1-CG1 3.88Å; I221-V284 HydrophobicContact CG1-CG1 4.13Å; I221-V284 HydrophobicContact CG2-CB 4.28Å; I221-V284 HydrophobicContact CG2-CG1 4.04Å; L258-V284 HydrophobicContact CD2-CG2 4.39Å; V280-V284 WeakPolarHBondContact O-CG2 3.48Å; V280-V284 PolarHBondContact O-N 3.21Å; M281-V284 PolarHBondContact O-N 3.36Å; C282-V284 PolarHBondContact O-N 2.85Å; V284-C287 WeakPolarHBondContact O-CB 3.41Å; V284-C287 PolarHBondContact O-N 2.9Å; V284-L288 HydrophobicContact CG1-CD1 4.14Å; V284-L288 VanDerWaalsContact O-CG 3.3Å; V284-L288 WeakPolarHBondContact O-CG 3.42Å; V284-L288 PolarHBondContact O-N 2.87Å |
| 285 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 1.1 Ų | 1.1 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -69.4 | -43 | -177.1 | -67.9 | 167.5 | 0 | 0 | 0 | 112.8 | T218 I221 M281 C282 T283 C287 L288 G289 I290 T292 S338 L355 | T218-L285 HydrophobicContact CG2-CD2 3.64Å; I221-L285 HydrophobicContact CB-CD2 4.45Å; I221-L285 HydrophobicContact CD1-CD2 3.45Å; I221-L285 VanDerWaalsContact CD1-CD2 3.45Å; I221-L285 HydrophobicContact CD1-CG 4.29Å; I221-L285 HydrophobicContact CG2-CD2 4.38Å; I221-L285 HydrophobicContact CG2-CG 4.33Å; M281-L285 HydrophobicContact CE-CD1 3.73Å; M281-L285 HydrophobicContact CG-CD1 3.65Å; M281-L285 HydrophobicContact CG-CG 4.38Å; M281-L285 WeakPolarHBondContact O-CG 3.17Å; M281-L285 PolarHBondContact O-N 3.27Å; C282-L285 PolarHBondContact O-N 3.15Å; T283-L285 PolarHBondContact O-N 2.84Å; L285-C287 VanDerWaalsContact C-N 3.31Å; L285-C287 PolarHBondContact O-N 3.2Å; L285-L288 PolarHBondContact O-N 3.39Å; L285-L288 VanDerWaalsContact O-N 3.16Å; L285-G289 PolarHBondContact O-N 2.61Å; L285-I290 CarbonylContact C-O 3.58Å; L285-I290 HydrophobicContact CB-CB 4.44Å; L285-I290 HydrophobicContact CD2-CD1 4.07Å; L285-I290 PolarHBondContact O-N 2.84Å; L285-T292 HydrophobicContact CB-CG2 4.26Å; L285-T292 VanDerWaalsContact CB-OG1 3.24Å; L285-T292 WeakPolarHBondContact CB-OG1 3.38Å; L285-T292 HydrophobicContact CD1-CG2 3.94Å; L285-S338 WeakPolarHBondContact CD1-OG 3.35Å; L285-L355 HydrophobicContact CD1-CD1 4.19Å |
| 286 | R | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 1.2 Ų | 1.2 | 2% | 0.015 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 172.5 | -71.3 | -170.1 | -178.9 | -165.6 | -3.8 | 111.5 | E155 Y156 N159 Q181 C282 L288 G289 T292 | E155-R286 PolarHBondContact O-NH1 2.83Å; E155-R286 PolarHBondContact O-NH2 2.97Å; E155-R286 VanDerWaalsContact O-NH2 3.16Å; Y156-R286 WeakPolarHBondContact O-CG 3.43Å; Y156-R286 PolarHBondContact O-NE 2.96Å; N159-R286 PolarHBondContact O-NH1 3.31Å; Q181-R286 HydrophobicContact CG-CB 4.41Å; C282-R286 WeakPolarHBondContact O-CB 3.42Å; C282-R286 VanDerWaalsContact O-CG 3.3Å; C282-R286 WeakPolarHBondContact O-CG 3.41Å; C282-R286 PolarHBondContact O-N 3.04Å; C282-R286 PolarHBondContact SG-NE 3.24Å; C282-R286 VanDerWaalsContact SG-NE 3.4Å; R286-L288 VanDerWaalsContact C-N 3.26Å; R286-L288 PolarHBondContact O-N 2.78Å; R286-G289 PolarHBondContact O-N 3.27Å; R286-T292 VanDerWaalsContact CZ-O 3.3Å; R286-T292 PolarHBondContact NE-O 2.96Å; R286-T292 PolarHBondContact NH2-O 3.5Å |
| 287 | C | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 177 | -169.9 | 0 | 0 | 0 | 0 | 112.6 | Y25 L135 Q181 L187 C190 T283 V284 L285 G289 | Y25-C287 WeakPolarHBondContact OH-CA 3.36Å; Y25-C287 PolarHBondContact OH-O 3.11Å; L135-C287 WeakPolarHBondContact CD1-O 3.24Å; Q181-C287 HydrophobicContact CB-CB 3.87Å; L187-C287 VanDerWaalsContact CA-SG 3.53Å; C190-C287 HydrophobicContact CB-CB 4.24Å; T283-C287 WeakPolarHBondContact O-CB 3.46Å; T283-C287 PolarHBondContact O-N 2.7Å; V284-C287 WeakPolarHBondContact O-CB 3.41Å; V284-C287 PolarHBondContact O-N 2.9Å; L285-C287 VanDerWaalsContact C-N 3.31Å; L285-C287 PolarHBondContact O-N 3.2Å; C287-G289 PolarHBondContact O-N 3Å |
| 288 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -81.8 | -5.1 | 177.8 | -63 | 175.9 | 0 | 0 | 0 | 113.2 | I109 F136 C190 L191 L194 V217 I221 V284 L285 R286 | I109-L288 HydrophobicContact CD1-CB 4.15Å; I109-L288 HydrophobicContact CD1-CD1 4.28Å; I109-L288 HydrophobicContact CD1-CD2 4.07Å; I109-L288 HydrophobicContact CD1-CG 4.38Å; F136-L288 WeakPolarHBondContact CB-O 3.28Å; F136-L288 WeakPolarHBondContact CD2-O 3.43Å; F136-L288 PolarHBondContact N-O 3.37Å; F136-L288 VanDerWaalsContact N-O 3.1Å; C190-L288 HydrophobicContact CB-CD2 4.3Å; L191-L288 HydrophobicContact CD2-CD2 3.82Å; L191-L288 HydrophobicContact CG-CD2 4.43Å; L194-L288 HydrophobicContact CD1-CD1 4.23Å; V217-L288 HydrophobicContact CG1-CD1 4.11Å; I221-L288 HydrophobicContact CD1-CD1 3.59Å; V284-L288 HydrophobicContact CG1-CD1 4.14Å; V284-L288 VanDerWaalsContact O-CG 3.3Å; V284-L288 WeakPolarHBondContact O-CG 3.42Å; V284-L288 PolarHBondContact O-N 2.87Å; L285-L288 PolarHBondContact O-N 3.39Å; L285-L288 VanDerWaalsContact O-N 3.16Å; R286-L288 VanDerWaalsContact C-N 3.26Å; R286-L288 PolarHBondContact O-N 2.78Å |
| 289 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.007 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 20.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F136 P138 L285 R286 C287 | F136-G289 WeakPolarHBondContact CB-O 3.4Å; P138-G289 WeakPolarHBondContact CD-O 3.42Å; P138-G289 WeakPolarHBondContact CG-O 3.12Å; L285-G289 PolarHBondContact O-N 2.61Å; R286-G289 PolarHBondContact O-N 3.27Å; C287-G289 PolarHBondContact O-N 3Å |
| 290 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.008 | C | C | . | . | trans | -95.7 | 127.1 | 171.5 | -54.9 | -177.5 | 0 | 0 | 0 | 107.8 | F136 V145 P214 V217 T218 L285 T292 F340 | F136-I290 HydrophobicContact CB-CG1 4.4Å; F136-I290 HydrophobicContact CD2-CD1 3.86Å; F136-I290 HydrophobicContact CD2-CG1 3.55Å; F136-I290 HydrophobicContact CE2-CD1 3.73Å; F136-I290 HydrophobicContact CE2-CG1 3.99Å; F136-I290 HydrophobicContact CG-CG1 4.03Å; F136-I290 HydrophobicContact CZ-CD1 4.38Å; V145-I290 HydrophobicContact CG1-CG1 4.21Å; P214-I290 HydrophobicContact CB-CD1 4.22Å; V217-I290 HydrophobicContact CG1-CD1 4.4Å; T218-I290 HydrophobicContact CG2-CD1 3.68Å; L285-I290 CarbonylContact C-O 3.58Å; L285-I290 HydrophobicContact CB-CB 4.44Å; L285-I290 HydrophobicContact CD2-CD1 4.07Å; L285-I290 PolarHBondContact O-N 2.84Å; I290-T292 PolarHBondContact O-N 3.38Å; I290-T292 PolarHBondContact O-OG1 2.79Å; I290-F340 HydrophobicContact CG2-CD1 4.28Å | ||
| 291 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -67.7 | 118 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L147 Y156 V157 S338 W339 | L147-A291 HydrophobicContact CD2-CB 3.76Å; Y156-A291 WeakPolarHBondContact O-CA 3.44Å; V157-A291 HydrophobicContact CG2-CB 3.72Å; A291-S338 CarbonylContact O-C 3.5Å; A291-S338 WeakPolarHBondContact O-CA 3.35Å; A291-W339 HydrophobicContact CB-CB 4.13Å; A291-W339 PolarHBondContact O-N 3.28Å | ||
| 292 | T | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.2 | -172 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | Y156 C282 L285 R286 I290 N336 E337 S338 | Y156-T292 PolarHBondContact O-N 2.95Å; C282-T292 HydrophobicContact CB-CG2 4.37Å; L285-T292 HydrophobicContact CB-CG2 4.26Å; L285-T292 VanDerWaalsContact CB-OG1 3.24Å; L285-T292 WeakPolarHBondContact CB-OG1 3.38Å; L285-T292 HydrophobicContact CD1-CG2 3.94Å; R286-T292 VanDerWaalsContact CZ-O 3.3Å; R286-T292 PolarHBondContact NE-O 2.96Å; R286-T292 PolarHBondContact NH2-O 3.5Å; I290-T292 PolarHBondContact O-N 3.38Å; I290-T292 PolarHBondContact O-OG1 2.79Å; T292-N336 HydrophobicContact CG2-CB 4.08Å; T292-E337 CarbonylContact C-O 3.58Å; T292-E337 VanDerWaalsContact CA-O 3.25Å; T292-E337 WeakPolarHBondContact CA-O 3.32Å; T292-E337 WeakPolarHBondContact CG2-O 3.45Å; T292-S338 PolarHBondContact OG1-OG 2.59Å |
| 293 | R | 98.7 | Very high | 95.8 | Very high | 15 Ų | 15 | 3.2 Ų | 3.2 | 6% | 0.057 | 2% | 0.016 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.6 | 172.7 | 66.3 | -174.7 | -175.2 | 177.9 | 1.4 | 111.6 | Y156 V295 N336 E337 W352 | Y156-R293 HydrophobicContact CD1-CB 3.85Å; Y156-R293 HydrophobicContact CE1-CB 3.87Å; Y156-R293 HydrophobicContact CE1-CG 4.49Å; R293-V295 HydrophobicContact CG-CG2 4.46Å; R293-N336 WeakPolarHBondContact O-CA 3.28Å; R293-E337 HydrophobicContact CG-CB 3.99Å; R293-E337 IonicContact CZ-OE2 3.52Å; R293-E337 PolarHBondContact N-O 3.11Å; R293-E337 IonicContact NE-OE2 3.8Å; R293-E337 PolarHBondContact NE-OE2 3.17Å; R293-E337 IonicContact NH2-OE1 2.77Å; R293-E337 IonicContact NH2-OE2 2.84Å; R293-E337 PolarHBondContact NH2-OE2 3.36Å; R293-E337 PolarHBondContact O-N 2.96Å; R293-W352 HydrophobicContact CG-CE3 4.39Å; R293-W352 HydrophobicContact CG-CH2 4.12Å; R293-W352 HydrophobicContact CG-CZ3 3.97Å |
| 294 | V | 98.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 5.4 Ų | 5.4 | 3% | 0.03 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137.5 | 174.2 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | I164 Y179 A278 C282 V334 T426 | I164-V294 HydrophobicContact CD1-CG1 4.48Å; I164-V294 HydrophobicContact CG1-CG1 4.14Å; I164-V294 HydrophobicContact CG2-CG1 4.29Å; Y179-V294 HydrophobicContact CE1-CG2 4.14Å; Y179-V294 WeakPolarHBondContact OH-CG2 3.47Å; A278-V294 HydrophobicContact CB-CG1 4.24Å; C282-V294 HydrophobicContact CB-CG2 3.89Å; V294-V334 HydrophobicContact CG1-CG1 3.27Å; V294-T426 WeakPolarHBondContact O-CB 3.32Å; V294-T426 PolarHBondContact O-OG1 3.5Å |
| 295 | V | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136 | -179.4 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | R293 V334 W335 E337 I424 S425 I437 | R293-V295 HydrophobicContact CG-CG2 4.46Å; V295-V334 VanDerWaalsContact O-CA 3.27Å; V295-V334 WeakPolarHBondContact O-CA 3.23Å; V295-V334 WeakPolarHBondContact O-CG1 3.31Å; V295-W335 HydrophobicContact CG1-CZ2 4.04Å; V295-W335 PolarHBondContact N-O 3.42Å; V295-W335 PolarHBondContact O-N 2.83Å; V295-E337 HydrophobicContact CG2-CB 4.28Å; V295-E337 HydrophobicContact CG2-CG 3.73Å; V295-I424 HydrophobicContact CG1-CG2 3.35Å; V295-S425 CarbonylContact C-O 3.51Å; V295-S425 WeakPolarHBondContact CA-O 3.45Å; V295-I437 HydrophobicContact CG1-CD1 4.08Å; V295-I437 HydrophobicContact CG2-CD1 3.94Å |
| 296 | S | 98.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.007 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 118.2 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | F165 H333 I424 S425 | F165-S296 PolarHBondContact N-OG 3Å; F165-S296 WeakPolarHBondContact O-CB 3.35Å; F165-S296 PolarHBondContact O-OG 2.84Å; S296-H333 CarbonylContact C-O 3.53Å; S296-H333 WeakPolarHBondContact CA-O 3.47Å; S296-I424 CarbonylContact O-C 3.54Å; S296-I424 VanDerWaalsContact O-CA 3.31Å; S296-I424 WeakPolarHBondContact O-CA 3.41Å; S296-S425 PolarHBondContact N-O 3.32Å; S296-S425 PolarHBondContact O-N 2.79Å |
| 297 | N | 97.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.1 | 176.8 | 178.7 | 28.7 | 0 | 0 | 0 | 110.4 | S300 F332 H333 W335 E394 G421 R422 I424 | N297-S300 WeakPolarHBondContact ND2-CA 2.86Å; N297-S300 WeakPolarHBondContact ND2-CB 3.1Å; N297-S300 PolarHBondContact ND2-OG 3.47Å; N297-F332 CarbonylContact O-C 3.54Å; N297-F332 WeakPolarHBondContact O-CA 3.31Å; N297-H333 PolarHBondContact N-O 3.05Å; N297-H333 PolarHBondContact O-N 3.41Å; N297-W335 HydrophobicContact CB-CE3 4.38Å; N297-W335 HydrophobicContact CB-CH2 3.26Å; N297-W335 HydrophobicContact CB-CZ2 4.11Å; N297-W335 HydrophobicContact CB-CZ3 3.41Å; N297-W335 VanDerWaalsContact CB-CZ3 3.41Å; N297-E394 PolarHBondContact ND2-O 3.33Å; N297-G421 WeakPolarHBondContact OD1-CA 3.28Å; N297-R422 PolarHBondContact OD1-N 2.67Å; N297-I424 HydrophobicContact CB-CG1 4.38Å; N297-I424 WeakPolarHBondContact OD1-CG1 3.43Å |
| 298 | F | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 143 | 178.1 | -61.3 | -94.1 | 0 | 0 | 0 | 111 | F165 E169 I172 N331 F332 R422 C423 | F165-F298 HydrophobicContact CB-CZ 4.22Å; E169-F298 HydrophobicContact CB-CB 4.22Å; I172-F298 HydrophobicContact CB-CZ 4.18Å; I172-F298 HydrophobicContact CD1-CD2 4.15Å; I172-F298 HydrophobicContact CD1-CE1 4.5Å; I172-F298 HydrophobicContact CD1-CE2 3.69Å; I172-F298 HydrophobicContact CD1-CZ 3.9Å; I172-F298 HydrophobicContact CG1-CD1 4.47Å; I172-F298 HydrophobicContact CG1-CE1 3.89Å; I172-F298 HydrophobicContact CG1-CE2 3.97Å; I172-F298 HydrophobicContact CG1-CZ 3.64Å; I172-F298 HydrophobicContact CG2-CE1 4.44Å; I172-F298 HydrophobicContact CG2-CE2 4.3Å; I172-F298 HydrophobicContact CG2-CZ 3.68Å; F298-N331 WeakPolarHBondContact CA-O 3.04Å; F298-F332 HydrophobicContact CD1-CB 3.76Å; F298-F332 HydrophobicContact CE1-CB 3.91Å; F298-F332 HydrophobicContact CG-CB 4.39Å; F298-R422 WeakPolarHBondContact CA-O 3.14Å; F298-R422 VanDerWaalsContact CB-O 3.27Å; F298-R422 WeakPolarHBondContact CB-O 3.48Å; F298-R422 PolarHBondContact N-O 2.87Å; F298-R422 PolarHBondContact O-N 3.05Å; F298-C423 HydrophobicContact CD2-CB 3.95Å; F298-C423 VanDerWaalsContact CD2-O 3.28Å; F298-C423 WeakPolarHBondContact CD2-O 3.41Å |
| 299 | N | 92.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 14.5 Ų | 14.5 | 5% | 0.048 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.4 | 52 | -167.7 | -53.4 | -24.4 | 0 | 0 | 0 | 111 | M329 W330 N331 K419 I420 G421 | N299-M329 HydrophobicContact CB-CG 4.2Å; N299-M329 HydrophobicContact CB-SD 3.95Å; N299-W330 CarbonylContact C-O 3.52Å; N299-W330 WeakPolarHBondContact CA-O 3.22Å; N299-W330 PolarHBondContact N-O 2.87Å; N299-N331 PolarHBondContact N-O 3.33Å; N299-K419 VanDerWaalsContact CB-O 3.22Å; N299-K419 WeakPolarHBondContact CB-O 3.2Å; N299-K419 PolarHBondContact ND2-O 3.27Å; N299-I420 VanDerWaalsContact O-CA 3.31Å; N299-I420 WeakPolarHBondContact O-CA 3.32Å; N299-I420 WeakPolarHBondContact O-CD1 3.38Å; N299-I420 WeakPolarHBondContact O-CG2 3.41Å; N299-G421 PolarHBondContact O-N 2.81Å; N299-G421 VanDerWaalsContact O-N 3.13Å |
| 300 | S | 92.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 128.1 | 179.7 | -155.5 | 0 | 0 | 0 | 0 | 109.7 | N297 M329 W330 H333 | N297-S300 WeakPolarHBondContact ND2-CA 2.86Å; N297-S300 WeakPolarHBondContact ND2-CB 3.1Å; N297-S300 PolarHBondContact ND2-OG 3.47Å; S300-M329 CarbonylContact O-C 3.54Å; S300-M329 WeakPolarHBondContact O-CA 3.43Å; S300-W330 PolarHBondContact N-O 3.15Å; S300-W330 VanDerWaalsContact N-O 3.11Å; S300-W330 PolarHBondContact O-N 2.84Å; S300-H333 WeakPolarHBondContact OG-CB 3.48Å |
| 301 | A | 89 | Confident | 87.8 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 146.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V310 S328 A393 E394 A397 I420 | A301-V310 HydrophobicContact CB-CG2 3.5Å; A301-V310 VanDerWaalsContact CB-CG2 3.5Å; A301-S328 CarbonylContact C-O 3.57Å; A301-A393 WeakPolarHBondContact CB-O 3.5Å; A301-E394 PolarHBondContact N-O 3.46Å; A301-E394 WeakPolarHBondContact O-CA 3.31Å; A301-E394 WeakPolarHBondContact O-CG 3.22Å; A301-A397 HydrophobicContact CB-CB 3.8Å; A301-I420 HydrophobicContact CB-CD1 4.1Å; A301-I420 HydrophobicContact CB-CG1 4.26Å; A301-I420 HydrophobicContact CB-CG2 3.65Å |
| 302 | H | 84 | Confident | 87.2 | Confident | 26 Ų | 26 | 15.5 Ų | 15.5 | 12% | 0.12 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 96.7 | 161.1 | -176 | -179.5 | 0 | 0 | 0 | 106.1 | D327 S328 Q360 E361 F390 | H302-D327 WeakPolarHBondContact O-CA 3.25Å; H302-D327 WeakPolarHBondContact O-CB 3.44Å; H302-S328 PolarHBondContact N-O 2.97Å; H302-S328 PolarHBondContact O-N 3.43Å; H302-S328 VanDerWaalsContact O-N 3.15Å; H302-Q360 PolarHBondContact ND1-NE2 3.1Å; H302-E361 IonicContact CD2-OE1 3.12Å; H302-E361 IonicContact CE1-OE1 2.75Å; H302-E361 IonicContact NE2-OE1 2.87Å; H302-E361 PolarHBondContact NE2-OE1 2.9Å; H302-F390 AromaticContact CD2-CE2 3.83Å |
| 303 | D | 79.4 | Confident | 86.6 | Confident | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.027 | 9% | 0.085 | C | C | . | . | trans | -90.1 | 112.8 | 177.8 | 169.5 | 2.3 | 0 | 0 | 0 | 108.7 | D305 Q306 N307 L308 A393 | D303-D305 PolarHBondContact OD1-N 3.01Å; D303-D305 VanDerWaalsContact OD1-N 3.17Å; D303-D305 VanDerWaalsContact OD1-OD1 3.08Å; D303-Q306 WeakPolarHBondContact OD1-CA 3.4Å; D303-Q306 PolarHBondContact OD1-N 2.88Å; D303-Q306 WeakPolarHBondContact OD2-CA 3.37Å; D303-N307 PolarHBondContact OD1-N 2.85Å; D303-N307 PolarHBondContact OD2-N 3.33Å; D303-N307 VanDerWaalsContact OD2-N 3.16Å; D303-L308 VanDerWaalsContact OD2-CA 3.32Å; D303-L308 WeakPolarHBondContact OD2-CA 3.28Å; D303-L308 PolarHBondContact OD2-N 3.31Å; D303-A393 HydrophobicContact CB-CB 3.68Å | ||
| 304 | T | 72.3 | Confident | 86.2 | Confident | 45 Ų | 45 | 16.2 Ų | 16.2 | 28% | 0.276 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -91.2 | -21.4 | -173.7 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | D327 | T304-D327 PolarHBondContact N-OD1 3.07Å; T304-D327 PolarHBondContact OG1-OD1 2.92Å |
| 305 | D | 72.2 | Confident | 85.7 | Confident | 77 Ų | 77 | 16.9 Ų | 16.9 | 41% | 0.412 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -106.5 | 0.3 | -176 | 82 | -9.9 | 0 | 0 | 0 | 113.7 | D303 N307 K465 | D303-D305 PolarHBondContact OD1-N 3.01Å; D303-D305 VanDerWaalsContact OD1-N 3.17Å; D303-D305 VanDerWaalsContact OD1-OD1 3.08Å; D305-N307 VanDerWaalsContact C-N 3.35Å; D305-N307 PolarHBondContact O-N 3.19Å; D305-N307 WeakPolarHBondContact OD1-CB 3.15Å; D305-N307 PolarHBondContact OD1-N 3.16Å; D305-N307 VanDerWaalsContact OD1-N 3.17Å; D305-N307 PolarHBondContact OD1-ND2 3.39Å; D305-N307 PolarHBondContact OD1-OD1 2.72Å; D305-N307 PolarHBondContact OD2-ND2 3.4Å; D305-K465 PolarHBondContact O-NZ 3.39Å |
| 306 | Q | 74.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 19.5 Ų | 19.5 | 44% | 0.435 | 10% | 0.104 | S | C | . | . | S | Bend | trans | 58.2 | 44.3 | 177.2 | -54.3 | 174.4 | 4.7 | 0 | 0 | 111.7 | D303 K465 | D303-Q306 WeakPolarHBondContact OD1-CA 3.4Å; D303-Q306 PolarHBondContact OD1-N 2.88Å; D303-Q306 WeakPolarHBondContact OD2-CA 3.37Å; Q306-K465 PolarHBondContact O-NZ 3.38Å |
| 307 | N | 76.6 | Confident | 84.7 | Confident | 23 Ų | 23 | 21.2 Ų | 21.2 | 12% | 0.123 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -103.5 | -2 | 178.6 | 76.8 | 18.7 | 0 | 0 | 0 | 113.2 | D303 D305 S309 | D303-N307 PolarHBondContact OD1-N 2.85Å; D303-N307 PolarHBondContact OD2-N 3.33Å; D303-N307 VanDerWaalsContact OD2-N 3.16Å; D305-N307 VanDerWaalsContact C-N 3.35Å; D305-N307 PolarHBondContact O-N 3.19Å; D305-N307 WeakPolarHBondContact OD1-CB 3.15Å; D305-N307 PolarHBondContact OD1-N 3.16Å; D305-N307 VanDerWaalsContact OD1-N 3.17Å; D305-N307 PolarHBondContact OD1-ND2 3.39Å; D305-N307 PolarHBondContact OD1-OD1 2.72Å; D305-N307 PolarHBondContact OD2-ND2 3.4Å; N307-S309 PolarHBondContact O-N 2.75Å; N307-S309 WeakPolarHBondContact OD1-CA 3.27Å; N307-S309 WeakPolarHBondContact OD1-CB 3.23Å; N307-S309 PolarHBondContact OD1-N 2.88Å; N307-S309 PolarHBondContact OD1-O 3.43Å |
| 308 | L | 80.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 63.1 | 21.7 | -174.1 | -58.5 | -180 | 0 | 0 | 0 | 114.5 | D303 F392 A393 A397 D398 Y454 A457 V458 L461 | D303-L308 VanDerWaalsContact OD2-CA 3.32Å; D303-L308 WeakPolarHBondContact OD2-CA 3.28Å; D303-L308 PolarHBondContact OD2-N 3.31Å; L308-F392 HydrophobicContact CD1-CD1 3.93Å; L308-F392 HydrophobicContact CD1-CE1 3.95Å; L308-F392 HydrophobicContact CD2-CD1 3.81Å; L308-A393 HydrophobicContact CD2-CB 3.65Å; L308-A397 CarbonylContact O-C 3.54Å; L308-A397 WeakPolarHBondContact O-CA 3.49Å; L308-A397 WeakPolarHBondContact O-CB 3.44Å; L308-D398 PolarHBondContact O-N 3.2Å; L308-Y454 HydrophobicContact CB-CE2 4.08Å; L308-Y454 PolarHBondContact O-OH 3.5Å; L308-A457 HydrophobicContact CD1-CB 3.96Å; L308-V458 HydrophobicContact CB-CG2 4.49Å; L308-V458 HydrophobicContact CD1-CG2 3.71Å; L308-L461 HydrophobicContact CD1-CD1 3.41Å; L308-L461 VanDerWaalsContact CD1-CD1 3.41Å; L308-L461 HydrophobicContact CD2-CD1 3.86Å; L308-L461 HydrophobicContact CG-CD1 3.37Å |
| 309 | S | 82.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.5 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | N307 D398 I400 | N307-S309 PolarHBondContact O-N 2.75Å; N307-S309 WeakPolarHBondContact OD1-CA 3.27Å; N307-S309 WeakPolarHBondContact OD1-CB 3.23Å; N307-S309 PolarHBondContact OD1-N 2.88Å; N307-S309 PolarHBondContact OD1-O 3.43Å; S309-D398 CarbonylContact C-O 3.52Å; S309-D398 VanDerWaalsContact CA-O 3.3Å; S309-D398 WeakPolarHBondContact CA-O 3.42Å; S309-D398 PolarHBondContact OG-O 3.27Å; S309-I400 WeakPolarHBondContact OG-CD1 3.49Å; S309-I400 WeakPolarHBondContact OG-CG1 3.48Å |
| 310 | V | 81.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 113.8 | 170 | 168.8 | 0 | 0 | 0 | 0 | 107.2 | A301 D327 A397 D398 Y399 I400 | A301-V310 HydrophobicContact CB-CG2 3.5Å; A301-V310 VanDerWaalsContact CB-CG2 3.5Å; V310-D327 HydrophobicContact CB-CB 4.35Å; V310-D327 HydrophobicContact CG1-CB 3.84Å; V310-D327 HydrophobicContact CG2-CB 4.44Å; V310-A397 HydrophobicContact CG2-CB 4.05Å; V310-D398 PolarHBondContact N-O 2.95Å; V310-Y399 HydrophobicContact CB-CD2 4Å; V310-Y399 HydrophobicContact CB-CE2 4.48Å; V310-Y399 HydrophobicContact CG1-CD2 3.75Å; V310-Y399 HydrophobicContact CG1-CE2 3.73Å; V310-I400 PolarHBondContact O-N 2.96Å |
| 311 | D | 83.3 | Confident | 83 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112.4 | 179.9 | -72.5 | -45 | 0 | 0 | 0 | 110.9 | Y313 D327 W402 | D311-Y313 HydrophobicContact CB-CE2 3.99Å; D311-D327 PolarHBondContact N-OD2 2.86Å; D311-W402 PolarHBondContact OD1-NE1 3.06Å |
| 312 | K | 85.2 | Confident | 82.5 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.9 | 171.6 | 175 | 172 | 170.5 | 165.4 | 0 | 110.8 | V314 T320 Y399 I400 T401 W402 E599 | K312-V314 HydrophobicContact CD-CG1 4.11Å; K312-V314 HydrophobicContact CG-CG1 3.99Å; K312-T320 WeakPolarHBondContact CE-OG1 3.49Å; K312-T320 HydrophobicContact CG-CG2 4.39Å; K312-T320 PolarHBondContact NZ-OG1 3.43Å; K312-Y399 HydrophobicContact CB-CE1 4.5Å; K312-Y399 HydrophobicContact CB-CE2 4.39Å; K312-Y399 WeakPolarHBondContact CD-OH 3.45Å; K312-I400 PolarHBondContact N-O 3.32Å; K312-T401 WeakPolarHBondContact O-CA 2.88Å; K312-W402 PolarHBondContact O-N 3.48Å; K312-E599 IonicContact NZ-OE1 2.63Å; K312-E599 PolarHBondContact NZ-OE1 2.91Å |
| 313 | Y | 86.9 | Confident | 82.2 | Confident | 29 Ų | 29 | 39.7 Ų | 39.7 | 11% | 0.114 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130 | 172.2 | -61.6 | -89.1 | 0 | 0 | 0 | 110.6 | D311 T320 L321 L324 T325 W402 W404 R410 | D311-Y313 HydrophobicContact CB-CE2 3.99Å; Y313-T320 WeakPolarHBondContact O-CA 3.45Å; Y313-L321 PolarHBondContact O-N 2.95Å; Y313-L324 HydrophobicContact CD2-CB 4.15Å; Y313-L324 VanDerWaalsContact CD2-O 3.28Å; Y313-L324 WeakPolarHBondContact CD2-O 3.26Å; Y313-L324 WeakPolarHBondContact CE2-O 3.14Å; Y313-L324 HydrophobicContact CG-CB 4.13Å; Y313-T325 PolarHBondContact N-OG1 2.85Å; Y313-W402 WeakPolarHBondContact CA-O 3.38Å; Y313-W402 HydrophobicContact CD1-CB 3.62Å; Y313-W402 HydrophobicContact CD1-CG 4.25Å; Y313-W402 HydrophobicContact CE1-CB 3.76Å; Y313-W402 AromaticContact CE1-CG 3.92Å; Y313-W402 HydrophobicContact CE1-CG 3.92Å; Y313-W402 HydrophobicContact CG-CB 4.41Å; Y313-W404 AromaticContact CD1-CE3 3.99Å; Y313-W404 HydrophobicContact CD1-CE3 3.99Å; Y313-W404 HydrophobicContact CE1-CE3 4.28Å; Y313-W404 HydrophobicContact CE1-CZ3 4.5Å; Y313-R410 PolarHBondContact OH-NH1 2.88Å |
| 314 | V | 89.4 | Confident | 82 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 154.1 | 177.3 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | K312 R319 T401 W402 L403 W404 M587 L597 | K312-V314 HydrophobicContact CD-CG1 4.11Å; K312-V314 HydrophobicContact CG-CG1 3.99Å; V314-R319 CarbonylContact C-O 3.58Å; V314-R319 WeakPolarHBondContact CA-O 3.45Å; V314-R319 WeakPolarHBondContact CB-O 3.46Å; V314-T401 HydrophobicContact CG1-CG2 4.33Å; V314-T401 HydrophobicContact CG2-CG2 3.94Å; V314-W402 WeakPolarHBondContact CG2-O 3.4Å; V314-W402 PolarHBondContact N-O 2.99Å; V314-L403 WeakPolarHBondContact O-CA 3.49Å; V314-W404 PolarHBondContact O-N 2.91Å; V314-M587 HydrophobicContact CG2-CE 3.64Å; V314-L597 HydrophobicContact CG1-CD2 4.25Å |
| 315 | D | 89.3 | Confident | 82 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | trans | -84.8 | -175.6 | 169.8 | 75.5 | 3.9 | 0 | 0 | 0 | 112.9 | F317 G318 R319 L321 L403 | D315-F317 PolarHBondContact O-N 3.3Å; D315-F317 VanDerWaalsContact O-N 3.13Å; D315-F317 WeakPolarHBondContact OD1-CA 3.41Å; D315-F317 WeakPolarHBondContact OD1-CB 3.18Å; D315-F317 PolarHBondContact OD1-N 2.9Å; D315-G318 PolarHBondContact O-N 3.37Å; D315-G318 PolarHBondContact OD1-N 3.01Å; D315-R319 PolarHBondContact N-O 3.25Å; D315-R319 WeakPolarHBondContact OD1-CB 3.42Å; D315-R319 PolarHBondContact OD1-N 3.34Å; D315-R319 IonicContact OD1-NE 3.45Å; D315-R319 IonicContact OD2-CZ 2.84Å; D315-R319 IonicContact OD2-NE 2.83Å; D315-R319 PolarHBondContact OD2-NE 3.33Å; D315-R319 IonicContact OD2-NH2 2.7Å; D315-R319 PolarHBondContact OD2-NH2 2.7Å; D315-L321 HydrophobicContact CB-CD2 4.23Å; D315-L403 VanDerWaalsContact C-CD1 3.44Å; D315-L403 VanDerWaalsContact O-CD1 3.31Å; D315-L403 WeakPolarHBondContact O-CD1 3.26Å | ||
| 316 | S | 88.4 | Confident | 81.9 | Confident | 55 Ų | 55 | 46 Ų | 46 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.2 | 179.3 | 67.9 | 0 | 0 | 0 | 0 | 115 | N530 M587 | S316-N530 WeakPolarHBondContact O-CB 2.97Å; S316-N530 PolarHBondContact O-ND2 2.96Å; S316-M587 WeakPolarHBondContact O-CB 3.49Å; S316-M587 WeakPolarHBondContact O-CG 2.94Å |
| 317 | F | 88.1 | Confident | 81.9 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 17% | 0.167 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 2 | 173.5 | -72.9 | -97.2 | 0 | 0 | 0 | 112.6 | D315 R319 N530 S532 H548 | D315-F317 PolarHBondContact O-N 3.3Å; D315-F317 VanDerWaalsContact O-N 3.13Å; D315-F317 WeakPolarHBondContact OD1-CA 3.41Å; D315-F317 WeakPolarHBondContact OD1-CB 3.18Å; D315-F317 PolarHBondContact OD1-N 2.9Å; F317-R319 VanDerWaalsContact C-N 3.27Å; F317-R319 HydrophobicContact CB-CG 4.21Å; F317-N530 HydrophobicContact CB-CB 4.44Å; F317-N530 HydrophobicContact CD1-CB 3.64Å; F317-N530 HydrophobicContact CE1-CB 3.96Å; F317-N530 HydrophobicContact CG-CB 4.04Å; F317-S532 PolarHBondContact O-OG 2.87Å; F317-H548 AromaticContact CD1-CD2 3.65Å; F317-H548 AromaticContact CD1-NE2 3.42Å; F317-H548 WeakPolarHBondContact CD1-NE2 3.46Å; F317-H548 AromaticContact CD2-NE2 3.9Å; F317-H548 AromaticContact CE1-CD2 3.78Å; F317-H548 AromaticContact CE1-CE1 3.52Å; F317-H548 AromaticContact CE1-NE2 3.15Å; F317-H548 WeakPolarHBondContact CE1-NE2 3.42Å; F317-H548 AromaticContact CE2-NE2 3.65Å; F317-H548 AromaticContact CG-NE2 3.8Å; F317-H548 AromaticContact CZ-CE1 3.59Å; F317-H548 AromaticContact CZ-NE2 3.28Å; F317-H548 VanDerWaalsContact CZ-NE2 3.28Å; F317-H548 WeakPolarHBondContact CZ-NE2 3.28Å |
| 318 | G | 85.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | 76.8 | 12 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D315 A585 | D315-G318 PolarHBondContact O-N 3.37Å; D315-G318 PolarHBondContact OD1-N 3.01Å; G318-A585 WeakPolarHBondContact O-CB 2.93Å | ||
| 319 | R | 86.8 | Confident | 82.1 | Confident | 95 Ų | 95 | 43 Ų | 43 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | trans | -74.1 | 137 | 176 | -59.8 | -178.6 | -62.6 | -178.9 | 5 | 109 | V314 D315 F317 S532 E545 | V314-R319 CarbonylContact C-O 3.58Å; V314-R319 WeakPolarHBondContact CA-O 3.45Å; V314-R319 WeakPolarHBondContact CB-O 3.46Å; D315-R319 PolarHBondContact N-O 3.25Å; D315-R319 WeakPolarHBondContact OD1-CB 3.42Å; D315-R319 PolarHBondContact OD1-N 3.34Å; D315-R319 IonicContact OD1-NE 3.45Å; D315-R319 IonicContact OD2-CZ 2.84Å; D315-R319 IonicContact OD2-NE 2.83Å; D315-R319 PolarHBondContact OD2-NE 3.33Å; D315-R319 IonicContact OD2-NH2 2.7Å; D315-R319 PolarHBondContact OD2-NH2 2.7Å; F317-R319 VanDerWaalsContact C-N 3.27Å; F317-R319 HydrophobicContact CB-CG 4.21Å; R319-S532 WeakPolarHBondContact CG-OG 3.42Å; R319-E545 IonicContact NH1-OE1 3.98Å; R319-E545 PolarHBondContact NH1-OE1 2.91Å; R319-E545 IonicContact NH1-OE2 2.64Å; R319-E545 PolarHBondContact NH1-OE2 2.82Å | ||
| 320 | T | 85.3 | Confident | 82.2 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 133 | 177.3 | -48 | 0 | 0 | 0 | 0 | 110.1 | K312 Y313 T325 | K312-T320 WeakPolarHBondContact CE-OG1 3.49Å; K312-T320 HydrophobicContact CG-CG2 4.39Å; K312-T320 PolarHBondContact NZ-OG1 3.43Å; Y313-T320 WeakPolarHBondContact O-CA 3.45Å; T320-T325 HydrophobicContact CG2-CG2 4.38Å |
| 321 | L | 83.8 | Confident | 82.5 | Confident | 48 Ų | 48 | 43.9 Ų | 43.9 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | trans | -93.5 | 97.7 | 173.3 | -62.6 | 176.4 | 0 | 0 | 0 | 109.2 | Y313 D315 D323 L324 T325 W404 | Y313-L321 PolarHBondContact O-N 2.95Å; D315-L321 HydrophobicContact CB-CD2 4.23Å; L321-D323 VanDerWaalsContact C-N 3.35Å; L321-D323 PolarHBondContact O-N 3.05Å; L321-L324 HydrophobicContact CB-CB 4.45Å; L321-L324 HydrophobicContact CB-CD1 4.33Å; L321-L324 HydrophobicContact CD1-CD1 3.97Å; L321-L324 PolarHBondContact O-N 3Å; L321-T325 VanDerWaalsContact O-CB 3.32Å; L321-T325 WeakPolarHBondContact O-CB 3.29Å; L321-T325 PolarHBondContact O-N 2.88Å; L321-T325 VanDerWaalsContact O-N 3.16Å; L321-T325 PolarHBondContact O-OG1 2.82Å; L321-W404 HydrophobicContact CD1-CB 3.52Å; L321-W404 HydrophobicContact CD1-CG 3.86Å | ||
| 322 | E | 78.8 | Confident | 83 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -61.6 | -40.1 | -174.8 | -64.2 | -165.1 | 167.4 | 0 | 0 | 112.8 | L324 T325 K541 P542 | E322-L324 PolarHBondContact O-N 3.16Å; E322-L324 VanDerWaalsContact O-N 3.09Å; E322-T325 PolarHBondContact O-N 2.6Å; E322-K541 WeakPolarHBondContact OE1-CE 3.31Å; E322-K541 WeakPolarHBondContact OE1-CG 3.39Å; E322-K541 WeakPolarHBondContact OE2-CE 3.39Å; E322-K541 IonicContact OE2-NZ 3.34Å; E322-P542 HydrophobicContact CG-CG 4.24Å; E322-P542 WeakPolarHBondContact OE1-CD 3.39Å; E322-P542 WeakPolarHBondContact OE1-CG 3.22Å |
| 323 | D | 76.3 | Confident | 83.6 | Confident | 167 Ų | 167 | 43 Ų | 43 | 89% | 0.893 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -65.1 | -16.8 | -177.2 | -60.9 | -37.6 | 0 | 0 | 0 | 113.6 | L321 | L321-D323 VanDerWaalsContact C-N 3.35Å; L321-D323 PolarHBondContact O-N 3.05Å |
| 324 | L | 75.3 | Confident | 84.1 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -109.4 | -16.4 | 179.8 | -62.8 | 176.6 | 0 | 0 | 0 | 113.1 | Y313 L321 E322 W404 | Y313-L324 HydrophobicContact CD2-CB 4.15Å; Y313-L324 VanDerWaalsContact CD2-O 3.28Å; Y313-L324 WeakPolarHBondContact CD2-O 3.26Å; Y313-L324 WeakPolarHBondContact CE2-O 3.14Å; Y313-L324 HydrophobicContact CG-CB 4.13Å; L321-L324 HydrophobicContact CB-CB 4.45Å; L321-L324 HydrophobicContact CB-CD1 4.33Å; L321-L324 HydrophobicContact CD1-CD1 3.97Å; L321-L324 PolarHBondContact O-N 3Å; E322-L324 PolarHBondContact O-N 3.16Å; E322-L324 VanDerWaalsContact O-N 3.09Å; L324-W404 HydrophobicContact CD1-CB 4.5Å; L324-W404 HydrophobicContact CD1-CD2 3.53Å; L324-W404 HydrophobicContact CD1-CE3 4.05Å; L324-W404 HydrophobicContact CD1-CG 3.72Å; L324-W404 HydrophobicContact CD1-CZ2 4.14Å |
| 325 | T | 73.9 | Confident | 84.5 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | trans | -102.3 | 88.9 | -172.3 | -56.6 | 0 | 0 | 0 | 0 | 108.7 | Y313 T320 L321 E322 D327 | Y313-T325 PolarHBondContact N-OG1 2.85Å; T320-T325 HydrophobicContact CG2-CG2 4.38Å; L321-T325 VanDerWaalsContact O-CB 3.32Å; L321-T325 WeakPolarHBondContact O-CB 3.29Å; L321-T325 PolarHBondContact O-N 2.88Å; L321-T325 VanDerWaalsContact O-N 3.16Å; L321-T325 PolarHBondContact O-OG1 2.82Å; E322-T325 PolarHBondContact O-N 2.6Å; T325-D327 WeakPolarHBondContact CG2-O 3.41Å | ||
| 326 | E | 70.3 | Confident | 85 | Confident | 167 Ų | 167 | 40.7 Ų | 40.7 | 78% | 0.78 | 21% | 0.208 | S | C | * | . | trans | -74.7 | -39.1 | 176.3 | -64.7 | -172.6 | 167.8 | 0 | 0 | 111.6 | ||||
| 327 | D | 74.4 | Confident | 85.5 | Confident | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -74.7 | 151.8 | 174.3 | -59.3 | -32.8 | 0 | 0 | 0 | 111.8 | H302 T304 V310 D311 T325 | H302-D327 WeakPolarHBondContact O-CA 3.25Å; H302-D327 WeakPolarHBondContact O-CB 3.44Å; T304-D327 PolarHBondContact N-OD1 3.07Å; T304-D327 PolarHBondContact OG1-OD1 2.92Å; V310-D327 HydrophobicContact CB-CB 4.35Å; V310-D327 HydrophobicContact CG1-CB 3.84Å; V310-D327 HydrophobicContact CG2-CB 4.44Å; D311-D327 PolarHBondContact N-OD2 2.86Å; T325-D327 WeakPolarHBondContact CG2-O 3.41Å |
| 328 | S | 75.9 | Confident | 86 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155.4 | 177.1 | 65.6 | 0 | 0 | 0 | 0 | 113 | A301 H302 W330 | A301-S328 CarbonylContact C-O 3.57Å; H302-S328 PolarHBondContact N-O 2.97Å; H302-S328 PolarHBondContact O-N 3.43Å; H302-S328 VanDerWaalsContact O-N 3.15Å; S328-W330 PolarHBondContact OG-NE1 2.7Å |
| 329 | M | 83.6 | Confident | 86.7 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.034 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 108.7 | 170.8 | 175 | -167.6 | 54.6 | 0 | 0 | 108 | N299 S300 Y399 K419 I420 R540 | N299-M329 HydrophobicContact CB-CG 4.2Å; N299-M329 HydrophobicContact CB-SD 3.95Å; S300-M329 CarbonylContact O-C 3.54Å; S300-M329 WeakPolarHBondContact O-CA 3.43Å; M329-Y399 HydrophobicContact CB-CD2 4.39Å; M329-Y399 HydrophobicContact CB-CE2 3.81Å; M329-Y399 HydrophobicContact CE-CE1 4.49Å; M329-Y399 HydrophobicContact CE-CE2 3.93Å; M329-Y399 HydrophobicContact CG-CE2 4.45Å; M329-Y399 HydrophobicContact SD-CD2 4.19Å; M329-Y399 HydrophobicContact SD-CE2 3.99Å; M329-K419 HydrophobicContact CE-CD 4.35Å; M329-K419 HydrophobicContact SD-CD 3.88Å; M329-K419 HydrophobicContact SD-CG 4.13Å; M329-I420 HydrophobicContact CB-CD1 4.18Å; M329-I420 HydrophobicContact CG-CD1 3.56Å; M329-I420 HydrophobicContact SD-CD1 3.67Å; M329-R540 VanDerWaalsContact CE-NH1 3.3Å; M329-R540 WeakPolarHBondContact O-CD 3.16Å; M329-R540 WeakPolarHBondContact O-CG 3.26Å; M329-R540 PolarHBondContact O-NE 3.47Å |
| 330 | W | 86.1 | Confident | 87.2 | Confident | 21 Ų | 21 | 35.1 Ų | 35.1 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 144.8 | -179.4 | -66.3 | 22.3 | 0 | 0 | 0 | 109.5 | W238 C274 N299 S300 S328 F332 H333 T358 Y538 T539 | W238-W330 HydrophobicContact CZ2-CH2 4.22Å; W238-W330 AromaticContact NE1-CH2 3.71Å; W238-W330 AromaticContact NE1-CZ3 3.94Å; C274-W330 HydrophobicContact CB-CZ3 4.22Å; N299-W330 CarbonylContact C-O 3.52Å; N299-W330 WeakPolarHBondContact CA-O 3.22Å; N299-W330 PolarHBondContact N-O 2.87Å; S300-W330 PolarHBondContact N-O 3.15Å; S300-W330 VanDerWaalsContact N-O 3.11Å; S300-W330 PolarHBondContact O-N 2.84Å; S328-W330 PolarHBondContact OG-NE1 2.7Å; W330-F332 PolarHBondContact O-N 2.99Å; W330-H333 HydrophobicContact CE3-CB 4.3Å; W330-H333 AromaticContact CE3-ND1 3.87Å; W330-H333 AromaticContact CZ3-ND1 3.72Å; W330-T358 HydrophobicContact CH2-CG2 4.41Å; W330-Y538 HydrophobicContact CD2-CE2 4.5Å; W330-Y538 AromaticContact CE3-CE2 3.74Å; W330-Y538 HydrophobicContact CE3-CE2 3.74Å; W330-Y538 HydrophobicContact CZ3-CE2 4.19Å; W330-Y538 VanDerWaalsContact CZ3-OH 3.27Å; W330-Y538 WeakPolarHBondContact CZ3-OH 3.48Å; W330-T539 HydrophobicContact CD2-CG2 3.85Å; W330-T539 HydrophobicContact CE3-CG2 4.2Å; W330-T539 HydrophobicContact CG-CG2 4.3Å; W330-T539 HydrophobicContact CH2-CG2 4.39Å; W330-T539 HydrophobicContact CZ2-CG2 4.06Å; W330-T539 HydrophobicContact CZ3-CG2 4.46Å |
| 331 | N | 87.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | -38 | 176.6 | -77.7 | -45.1 | 0 | 0 | 0 | 112 | V168 F298 N299 Y538 R540 | V168-N331 HydrophobicContact CG1-CB 4.29Å; F298-N331 WeakPolarHBondContact CA-O 3.04Å; N299-N331 PolarHBondContact N-O 3.33Å; N331-Y538 VanDerWaalsContact CB-O 3.25Å; N331-Y538 WeakPolarHBondContact CB-O 3.46Å; N331-Y538 PolarHBondContact N-O 2.92Å; N331-Y538 VanDerWaalsContact N-O 3.1Å; N331-Y538 PolarHBondContact ND2-O 2.9Å; N331-R540 PolarHBondContact OD1-NE 3.2Å; N331-R540 PolarHBondContact OD1-NH2 3.4Å |
| 332 | F | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 156.3 | 166.1 | 66.1 | -84.7 | 0 | 0 | 0 | 109.2 | R166 G167 W275 N297 F298 W330 V334 Y538 | R166-F332 HydrophobicContact CB-CE1 4.09Å; R166-F332 HydrophobicContact CB-CE2 4.15Å; R166-F332 HydrophobicContact CB-CZ 3.9Å; R166-F332 HydrophobicContact CG-CD2 4.42Å; R166-F332 HydrophobicContact CG-CE2 3.79Å; R166-F332 HydrophobicContact CG-CZ 3.89Å; G167-F332 WeakPolarHBondContact O-CD1 3.5Å; W275-F332 AromaticContact CE3-CE2 3.9Å; W275-F332 HydrophobicContact CE3-CE2 3.9Å; W275-F332 HydrophobicContact CE3-CZ 4.04Å; W275-F332 HydrophobicContact CZ3-CE2 4.26Å; W275-F332 AromaticContact CZ3-CZ 3.96Å; W275-F332 HydrophobicContact CZ3-CZ 3.96Å; N297-F332 CarbonylContact O-C 3.54Å; N297-F332 WeakPolarHBondContact O-CA 3.31Å; F298-F332 HydrophobicContact CD1-CB 3.76Å; F298-F332 HydrophobicContact CE1-CB 3.91Å; F298-F332 HydrophobicContact CG-CB 4.39Å; W330-F332 PolarHBondContact O-N 2.99Å; F332-V334 HydrophobicContact CD2-CG2 3.72Å; F332-V334 HydrophobicContact CE2-CG2 3.94Å; F332-Y538 HydrophobicContact CD1-CD2 4.2Å; F332-Y538 AromaticContact CE1-CD2 3.7Å; F332-Y538 HydrophobicContact CE1-CD2 3.7Å; F332-Y538 HydrophobicContact CE1-CG 4.13Å; F332-Y538 HydrophobicContact CE2-CD2 4.26Å; F332-Y538 HydrophobicContact CE2-CE2 4.28Å; F332-Y538 AromaticContact CZ-CD2 3.71Å; F332-Y538 HydrophobicContact CZ-CD2 3.71Å; F332-Y538 HydrophobicContact CZ-CE2 4.13Å; F332-Y538 HydrophobicContact CZ-CG 4.19Å; F332-Y538 WeakPolarHBondContact O-CE2 3.31Å |
| 333 | H | 96.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.4 | 168.7 | -176.2 | 39.3 | 0 | 0 | 0 | 109.3 | C274 S296 N297 S300 W330 W335 D356 T358 Q360 E394 | C274-H333 WeakPolarHBondContact CB-ND1 3.37Å; S296-H333 CarbonylContact C-O 3.53Å; S296-H333 WeakPolarHBondContact CA-O 3.47Å; N297-H333 PolarHBondContact N-O 3.05Å; N297-H333 PolarHBondContact O-N 3.41Å; S300-H333 WeakPolarHBondContact OG-CB 3.48Å; W330-H333 HydrophobicContact CE3-CB 4.3Å; W330-H333 AromaticContact CE3-ND1 3.87Å; W330-H333 AromaticContact CZ3-ND1 3.72Å; H333-W335 AromaticContact CD2-CE3 3.6Å; H333-W335 AromaticContact CD2-CZ3 3.95Å; H333-D356 IonicContact CD2-OD2 3.84Å; H333-D356 IonicContact CE1-OD2 2.78Å; H333-D356 PolarHBondContact CE1-OD2 2.9Å; H333-D356 IonicContact NE2-OD2 2.82Å; H333-D356 PolarHBondContact NE2-OD2 2.94Å; H333-T358 PolarHBondContact CE1-OG1 3.03Å; H333-Q360 PolarHBondContact CE1-OE1 2.8Å; H333-Q360 PolarHBondContact NE2-OE1 2.99Å; H333-E394 IonicContact CD2-OE1 2.84Å; H333-E394 PolarHBondContact CD2-OE1 3Å; H333-E394 IonicContact NE2-OE1 2.87Å |
| 334 | V | 98.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 126.5 | -172.5 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | I164 C274 W275 A278 V294 V295 F332 | I164-V334 HydrophobicContact CG2-CG1 3.92Å; I164-V334 HydrophobicContact CG2-CG2 4.12Å; C274-V334 HydrophobicContact CB-CB 4.44Å; W275-V334 HydrophobicContact CB-CB 4.31Å; W275-V334 HydrophobicContact CB-CG1 4.43Å; W275-V334 HydrophobicContact CB-CG2 4.11Å; A278-V334 HydrophobicContact CB-CB 4.37Å; A278-V334 HydrophobicContact CB-CG1 3.67Å; V294-V334 HydrophobicContact CG1-CG1 3.27Å; V295-V334 VanDerWaalsContact O-CA 3.27Å; V295-V334 WeakPolarHBondContact O-CA 3.23Å; V295-V334 WeakPolarHBondContact O-CG1 3.31Å; F332-V334 HydrophobicContact CD2-CG2 3.72Å; F332-V334 HydrophobicContact CE2-CG2 3.94Å |
| 335 | W | 98.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | -171.9 | 177.7 | 63.6 | 76 | 0 | 0 | 0 | 110.8 | V295 N297 H333 V354 D356 E394 V395 Y441 | V295-W335 HydrophobicContact CG1-CZ2 4.04Å; V295-W335 PolarHBondContact N-O 3.42Å; V295-W335 PolarHBondContact O-N 2.83Å; N297-W335 HydrophobicContact CB-CE3 4.38Å; N297-W335 HydrophobicContact CB-CH2 3.26Å; N297-W335 HydrophobicContact CB-CZ2 4.11Å; N297-W335 HydrophobicContact CB-CZ3 3.41Å; N297-W335 VanDerWaalsContact CB-CZ3 3.41Å; H333-W335 AromaticContact CD2-CE3 3.6Å; H333-W335 AromaticContact CD2-CZ3 3.95Å; W335-V354 HydrophobicContact CG-CG1 4.2Å; W335-D356 HydrophobicContact CB-CB 3.99Å; W335-E394 HydrophobicContact CZ3-CB 4.5Å; W335-V395 HydrophobicContact CH2-CG1 3.76Å; W335-V395 HydrophobicContact CZ2-CG1 4.33Å; W335-Y441 AromaticContact CZ2-CE1 3.71Å; W335-Y441 HydrophobicContact CZ2-CE1 3.71Å; W335-Y441 AromaticContact CZ2-CZ 3.85Å; W335-Y441 AromaticContact NE1-CZ 3.91Å; W335-Y441 PolarHBondContact NE1-OH 3.38Å |
| 336 | N | 98.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.9 | 178.6 | -62.5 | 98.2 | 0 | 0 | 0 | 112.6 | A278 M281 C282 T292 R293 L355 | A278-N336 VanDerWaalsContact CA-OD1 3.23Å; A278-N336 WeakPolarHBondContact CA-OD1 3.35Å; A278-N336 PolarHBondContact O-ND2 3.18Å; A278-N336 PolarHBondContact O-OD1 3.37Å; M281-N336 WeakPolarHBondContact CB-OD1 3.27Å; M281-N336 WeakPolarHBondContact CG-OD1 3.48Å; M281-N336 HydrophobicContact SD-CB 4.46Å; C282-N336 WeakPolarHBondContact CB-ND2 3.46Å; T292-N336 HydrophobicContact CG2-CB 4.08Å; R293-N336 WeakPolarHBondContact O-CA 3.28Å; N336-L355 HydrophobicContact CB-CB 4.39Å; N336-L355 PolarHBondContact N-O 3.11Å; N336-L355 PolarHBondContact O-N 3.31Å; N336-L355 VanDerWaalsContact O-O 3.14Å |
| 337 | E | 98.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.5 | 161.4 | -75.5 | 178.3 | -172.3 | 0 | 0 | 109.7 | T292 R293 V295 W352 Q353 V374 Y441 | T292-E337 CarbonylContact C-O 3.58Å; T292-E337 VanDerWaalsContact CA-O 3.25Å; T292-E337 WeakPolarHBondContact CA-O 3.32Å; T292-E337 WeakPolarHBondContact CG2-O 3.45Å; R293-E337 HydrophobicContact CG-CB 3.99Å; R293-E337 IonicContact CZ-OE2 3.52Å; R293-E337 PolarHBondContact N-O 3.11Å; R293-E337 IonicContact NE-OE2 3.8Å; R293-E337 PolarHBondContact NE-OE2 3.17Å; R293-E337 IonicContact NH2-OE1 2.77Å; R293-E337 IonicContact NH2-OE2 2.84Å; R293-E337 PolarHBondContact NH2-OE2 3.36Å; R293-E337 PolarHBondContact O-N 2.96Å; V295-E337 HydrophobicContact CG2-CB 4.28Å; V295-E337 HydrophobicContact CG2-CG 3.73Å; E337-W352 HydrophobicContact CB-CB 4.32Å; E337-W352 HydrophobicContact CB-CD2 4.27Å; E337-W352 HydrophobicContact CB-CE3 3.68Å; E337-W352 HydrophobicContact CB-CZ3 4.39Å; E337-W352 HydrophobicContact CG-CB 4.42Å; E337-W352 WeakPolarHBondContact OE2-CB 3.45Å; E337-Q353 CarbonylContact C-O 3.59Å; E337-Q353 VanDerWaalsContact CA-O 3.26Å; E337-Q353 WeakPolarHBondContact CA-O 3.35Å; E337-V374 HydrophobicContact CG-CG2 4.3Å; E337-Y441 WeakPolarHBondContact CG-OH 3.25Å; E337-Y441 WeakPolarHBondContact OE1-CE2 3.48Å; E337-Y441 PolarHBondContact OE1-OH 3.41Å |
| 338 | S | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 142.9 | 174.1 | -68.3 | 0 | 0 | 0 | 0 | 111.2 | L285 A291 T292 Q353 L355 | L285-S338 WeakPolarHBondContact CD1-OG 3.35Å; A291-S338 CarbonylContact O-C 3.5Å; A291-S338 WeakPolarHBondContact O-CA 3.35Å; T292-S338 PolarHBondContact OG1-OG 2.59Å; S338-Q353 PolarHBondContact N-O 3.09Å; S338-Q353 PolarHBondContact O-N 2.66Å; S338-L355 VanDerWaalsContact OG-CD1 3.27Å; S338-L355 WeakPolarHBondContact OG-CD1 3.36Å |
| 339 | W | 98.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 29.9 Ų | 29.9 | 27% | 0.269 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117.9 | -177.1 | 179.6 | -86 | 0 | 0 | 0 | 111.4 | F146 L147 A291 G351 W352 | F146-W339 PolarHBondContact O-NE1 3.11Å; L147-W339 HydrophobicContact CD1-CD2 3.74Å; L147-W339 HydrophobicContact CD1-CE3 4.34Å; L147-W339 HydrophobicContact CD1-CG 3.9Å; L147-W339 HydrophobicContact CD1-CZ2 4.14Å; A291-W339 HydrophobicContact CB-CB 4.13Å; A291-W339 PolarHBondContact O-N 3.28Å; W339-G351 WeakPolarHBondContact CA-O 3.32Å; W339-G351 VanDerWaalsContact CE3-CA 3.42Å; W339-G351 VanDerWaalsContact CZ3-CA 3.42Å; W339-W352 HydrophobicContact CB-CE3 4Å; W339-W352 HydrophobicContact CB-CH2 4.2Å; W339-W352 HydrophobicContact CB-CZ3 3.83Å; W339-W352 AromaticContact CE3-CD1 3.92Å; W339-W352 AromaticContact CE3-CD2 3.87Å; W339-W352 HydrophobicContact CE3-CD2 3.87Å; W339-W352 AromaticContact CE3-CE2 3.73Å; W339-W352 HydrophobicContact CE3-CE3 4.46Å; W339-W352 HydrophobicContact CE3-CG 4.01Å; W339-W352 HydrophobicContact CE3-CZ2 4.23Å; W339-W352 AromaticContact CE3-NE1 3.73Å; W339-W352 AromaticContact CZ3-CD1 3.93Å; W339-W352 HydrophobicContact CZ3-CG 4.41Å; W339-W352 AromaticContact CZ3-NE1 3.83Å |
| 340 | F | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 167.8 | 170.3 | 48.5 | -91.7 | 0 | 0 | 0 | 112.8 | D144 V145 P214 I215 T218 I290 G351 Q353 P371 | D144-F340 CarbonylContact O-C 3.52Å; D144-F340 WeakPolarHBondContact O-CA 3.49Å; D144-F340 WeakPolarHBondContact O-CB 3.47Å; V145-F340 HydrophobicContact CG1-CB 4.18Å; P214-F340 HydrophobicContact CB-CB 4.09Å; P214-F340 HydrophobicContact CB-CD1 4.13Å; P214-F340 HydrophobicContact CB-CD2 4.2Å; P214-F340 HydrophobicContact CB-CG 3.91Å; P214-F340 HydrophobicContact CG-CB 3.9Å; P214-F340 HydrophobicContact CG-CD2 4.05Å; P214-F340 HydrophobicContact CG-CG 4.01Å; I215-F340 HydrophobicContact CG1-CD2 4.22Å; I215-F340 HydrophobicContact CG1-CE2 3.73Å; T218-F340 HydrophobicContact CG2-CE1 3.73Å; T218-F340 HydrophobicContact CG2-CZ 4.2Å; I290-F340 HydrophobicContact CG2-CD1 4.28Å; F340-G351 PolarHBondContact N-O 3.02Å; F340-G351 VanDerWaalsContact N-O 3.16Å; F340-G351 PolarHBondContact O-N 3.35Å; F340-Q353 HydrophobicContact CD1-CG 4.27Å; F340-Q353 HydrophobicContact CD2-CG 3.99Å; F340-Q353 HydrophobicContact CE1-CB 4.11Å; F340-Q353 HydrophobicContact CE1-CG 3.89Å; F340-Q353 HydrophobicContact CE2-CB 4.33Å; F340-Q353 HydrophobicContact CE2-CG 3.6Å; F340-Q353 HydrophobicContact CG-CG 4.32Å; F340-Q353 HydrophobicContact CZ-CB 3.83Å; F340-Q353 HydrophobicContact CZ-CG 3.56Å; F340-P371 HydrophobicContact CE2-CB 4.16Å; F340-P371 HydrophobicContact CE2-CG 4.21Å; F340-P371 HydrophobicContact CZ-CB 3.63Å; F340-P371 HydrophobicContact CZ-CG 3.94Å |
| 341 | A | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | trans | -73.5 | 142.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | D144 N350 | D144-A341 HydrophobicContact CB-CB 4.29Å; D144-A341 PolarHBondContact O-N 3.14Å; A341-N350 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 342 | R | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | trans | -103.4 | 75.9 | 176.6 | -71 | -62.1 | -59.9 | -91.1 | 4.9 | 110.1 | D344 L345 G346 Y349 N350 Q353 P371 A385 | R342-D344 IonicContact CZ-OD1 3.85Å; R342-D344 IonicContact CZ-OD2 2.97Å; R342-D344 IonicContact NE-OD1 3.58Å; R342-D344 PolarHBondContact NE-OD1 3.27Å; R342-D344 IonicContact NE-OD2 2.74Å; R342-D344 IonicContact NH2-OD1 3.92Å; R342-D344 IonicContact NH2-OD2 2.7Å; R342-D344 PolarHBondContact NH2-OD2 3.31Å; R342-D344 PolarHBondContact O-N 2.5Å; R342-D344 VanDerWaalsContact O-N 3.11Å; R342-L345 HydrophobicContact CB-CB 4.03Å; R342-L345 HydrophobicContact CB-CD1 4.5Å; R342-L345 HydrophobicContact CB-CG 4.29Å; R342-L345 VanDerWaalsContact NH2-CD1 3.27Å; R342-L345 PolarHBondContact O-N 2.75Å; R342-G346 PolarHBondContact O-N 2.86Å; R342-Y349 WeakPolarHBondContact CG-O 3.29Å; R342-N350 PolarHBondContact N-OD1 3.26Å; R342-Q353 VanDerWaalsContact CD-OE1 3.26Å; R342-Q353 VanDerWaalsContact NH1-OE1 3.08Å; R342-P371 PolarHBondContact NH1-O 3.39Å; R342-A385 PolarHBondContact NH1-O 3.47Å; R342-A385 PolarHBondContact NH2-O 3.13Å | ||
| 343 | Q | 94.9 | Very high | 97.7 | Very high | 140 Ų | 140 | 33.1 Ų | 33.1 | 65% | 0.654 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.9 | 179.8 | -62.4 | -64 | -14.2 | 0 | 0 | 112.5 | D144 | D144-Q343 PolarHBondContact OD1-NE2 3.29Š|
| 344 | D | 96.6 | Very high | 97.8 | Very high | 78 Ų | 78 | 33 Ų | 33 | 42% | 0.417 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -27.5 | 176.7 | 66.2 | -44.6 | 0 | 0 | 0 | 114.2 | I215 R342 | I215-D344 HydrophobicContact CD1-CB 4.41Å; I215-D344 VanDerWaalsContact CD1-OD1 3.29Å; I215-D344 WeakPolarHBondContact CD1-OD1 3.47Å; R342-D344 IonicContact CZ-OD1 3.85Å; R342-D344 IonicContact CZ-OD2 2.97Å; R342-D344 IonicContact NE-OD1 3.58Å; R342-D344 PolarHBondContact NE-OD1 3.27Å; R342-D344 IonicContact NE-OD2 2.74Å; R342-D344 IonicContact NH2-OD1 3.92Å; R342-D344 IonicContact NH2-OD2 2.7Å; R342-D344 PolarHBondContact NH2-OD2 3.31Å; R342-D344 PolarHBondContact O-N 2.5Å; R342-D344 VanDerWaalsContact O-N 3.11Å |
| 345 | L | 96.8 | Very high | 97.8 | Very high | 37 Ų | 37 | 33 Ų | 33 | 19% | 0.194 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -22.1 | -177.8 | -55.6 | -172.6 | 0 | 0 | 0 | 114.1 | R342 Y349 L384 | R342-L345 HydrophobicContact CB-CB 4.03Å; R342-L345 HydrophobicContact CB-CD1 4.5Å; R342-L345 HydrophobicContact CB-CG 4.29Å; R342-L345 VanDerWaalsContact NH2-CD1 3.27Å; R342-L345 PolarHBondContact O-N 2.75Å; L345-Y349 HydrophobicContact CB-CD2 3.62Å; L345-Y349 HydrophobicContact CB-CE2 4.45Å; L345-Y349 HydrophobicContact CB-CG 4.02Å; L345-Y349 HydrophobicContact CD1-CD2 4.48Å; L345-Y349 HydrophobicContact CD1-CG 4.18Å; L345-Y349 WeakPolarHBondContact O-CD2 3.4Å; L345-L384 HydrophobicContact CD1-CB 4.17Å; L345-L384 HydrophobicContact CD1-CD1 4.29Å; L345-L384 HydrophobicContact CD2-CB 4.07Å; L345-L384 HydrophobicContact CD2-CD2 4.25Å |
| 346 | G | 95.4 | Very high | 97.8 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | trans | 97.4 | 168.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R342 S348 Y349 | R342-G346 PolarHBondContact O-N 2.86Å; G346-S348 VanDerWaalsContact C-N 3.26Å; G346-S348 PolarHBondContact O-N 3.34Å; G346-S348 VanDerWaalsContact O-N 3.1Å; G346-Y349 PolarHBondContact O-N 3.14Å | ||
| 347 | P | 95.8 | Very high | 97.7 | Very high | 111 Ų | 111 | 33.1 Ų | 33.1 | 72% | 0.721 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -65.4 | -22.1 | -164.3 | 24.5 | -35.2 | 0 | 0 | 0 | 115 | Y349 N350 | P347-Y349 PolarHBondContact O-N 3.07Å; P347-N350 WeakPolarHBondContact O-CB 3.41Å; P347-N350 PolarHBondContact O-N 3.35Å |
| 348 | S | 97.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -65.7 | -17 | 175.6 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | G346 T375 | G346-S348 VanDerWaalsContact C-N 3.26Å; G346-S348 PolarHBondContact O-N 3.34Å; G346-S348 VanDerWaalsContact O-N 3.1Å; S348-T375 WeakPolarHBondContact O-CG2 3.42Å |
| 349 | Y | 98.2 | Very high | 97.2 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 17% | 0.169 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -109 | 4.5 | -177.7 | -59.2 | -71.4 | 0 | 0 | 0 | 113.3 | R342 L345 G346 P347 Q353 S373 A376 L384 | R342-Y349 WeakPolarHBondContact CG-O 3.29Å; L345-Y349 HydrophobicContact CB-CD2 3.62Å; L345-Y349 HydrophobicContact CB-CE2 4.45Å; L345-Y349 HydrophobicContact CB-CG 4.02Å; L345-Y349 HydrophobicContact CD1-CD2 4.48Å; L345-Y349 HydrophobicContact CD1-CG 4.18Å; L345-Y349 WeakPolarHBondContact O-CD2 3.4Å; G346-Y349 PolarHBondContact O-N 3.14Å; P347-Y349 PolarHBondContact O-N 3.07Å; Y349-Q353 PolarHBondContact O-NE2 2.92Å; Y349-S373 WeakPolarHBondContact CA-OG 3.46Å; Y349-S373 WeakPolarHBondContact CB-OG 3.08Å; Y349-S373 PolarHBondContact O-OG 2.91Å; Y349-A376 HydrophobicContact CD1-CB 3.74Å; Y349-A376 HydrophobicContact CE1-CB 3.78Å; Y349-L384 HydrophobicContact CD1-CD1 4.26Å; Y349-L384 HydrophobicContact CD2-CD1 4.37Å; Y349-L384 HydrophobicContact CE1-CD1 3.7Å; Y349-L384 HydrophobicContact CE2-CD1 3.82Å; Y349-L384 VanDerWaalsContact CZ-CD1 3.44Å |
| 350 | N | 98 | Very high | 96.6 | Very high | 64 Ų | 64 | 32.1 Ų | 32.1 | 34% | 0.342 | 18% | 0.183 | S | C | . | . | trans | -62.5 | 162.6 | 172.6 | -68 | 1.1 | 0 | 0 | 0 | 111.7 | A341 R342 P347 | A341-N350 WeakPolarHBondContact CA-OD1 3.49Å; R342-N350 PolarHBondContact N-OD1 3.26Å; P347-N350 WeakPolarHBondContact O-CB 3.41Å; P347-N350 PolarHBondContact O-N 3.35Å | ||
| 351 | G | 98.3 | Very high | 96 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105 | -135.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W339 F340 Q353 | W339-G351 WeakPolarHBondContact CA-O 3.32Å; W339-G351 VanDerWaalsContact CE3-CA 3.42Å; W339-G351 VanDerWaalsContact CZ3-CA 3.42Å; F340-G351 PolarHBondContact N-O 3.02Å; F340-G351 VanDerWaalsContact N-O 3.16Å; F340-G351 PolarHBondContact O-N 3.35Å; G351-Q353 PolarHBondContact O-N 3.47Å; G351-Q353 PolarHBondContact O-NE2 3.22Å |
| 352 | W | 98.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127.3 | -176.8 | -65 | 113.3 | 0 | 0 | 0 | 113 | Y156 R293 E337 W339 V374 | Y156-W352 HydrophobicContact CD1-CH2 4.34Å; Y156-W352 AromaticContact CD2-CH2 3.58Å; Y156-W352 HydrophobicContact CD2-CH2 3.58Å; Y156-W352 AromaticContact CD2-CZ2 3.84Å; Y156-W352 HydrophobicContact CD2-CZ2 3.84Å; Y156-W352 HydrophobicContact CE1-CH2 4.5Å; Y156-W352 AromaticContact CE2-CH2 3.78Å; Y156-W352 HydrophobicContact CE2-CH2 3.78Å; Y156-W352 AromaticContact CE2-CZ2 3.58Å; Y156-W352 HydrophobicContact CE2-CZ2 3.58Å; Y156-W352 AromaticContact CG-CH2 3.89Å; Y156-W352 HydrophobicContact CG-CH2 3.89Å; R293-W352 HydrophobicContact CG-CE3 4.39Å; R293-W352 HydrophobicContact CG-CH2 4.12Å; R293-W352 HydrophobicContact CG-CZ3 3.97Å; E337-W352 HydrophobicContact CB-CB 4.32Å; E337-W352 HydrophobicContact CB-CD2 4.27Å; E337-W352 HydrophobicContact CB-CE3 3.68Å; E337-W352 HydrophobicContact CB-CZ3 4.39Å; E337-W352 HydrophobicContact CG-CB 4.42Å; E337-W352 WeakPolarHBondContact OE2-CB 3.45Å; W339-W352 HydrophobicContact CB-CE3 4Å; W339-W352 HydrophobicContact CB-CH2 4.2Å; W339-W352 HydrophobicContact CB-CZ3 3.83Å; W339-W352 AromaticContact CE3-CD1 3.92Å; W339-W352 AromaticContact CE3-CD2 3.87Å; W339-W352 HydrophobicContact CE3-CD2 3.87Å; W339-W352 AromaticContact CE3-CE2 3.73Å; W339-W352 HydrophobicContact CE3-CE3 4.46Å; W339-W352 HydrophobicContact CE3-CG 4.01Å; W339-W352 HydrophobicContact CE3-CZ2 4.23Å; W339-W352 AromaticContact CE3-NE1 3.73Å; W339-W352 AromaticContact CZ3-CD1 3.93Å; W339-W352 HydrophobicContact CZ3-CG 4.41Å; W339-W352 AromaticContact CZ3-NE1 3.83Å; W352-V374 HydrophobicContact CB-CB 4.45Å; W352-V374 HydrophobicContact CB-CG2 3.97Å; W352-V374 WeakPolarHBondContact O-CB 3.34Å; W352-V374 VanDerWaalsContact O-CG2 3.31Å; W352-V374 WeakPolarHBondContact O-CG2 3.41Å; W352-V374 PolarHBondContact O-N 2.79Å; W352-V374 VanDerWaalsContact O-N 3.09Å |
| 353 | Q | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.3 | 178.5 | -45.1 | -59.1 | -54.2 | 0 | 0 | 110 | E337 S338 F340 R342 Y349 G351 P371 A372 | E337-Q353 CarbonylContact C-O 3.59Å; E337-Q353 VanDerWaalsContact CA-O 3.26Å; E337-Q353 WeakPolarHBondContact CA-O 3.35Å; S338-Q353 PolarHBondContact N-O 3.09Å; S338-Q353 PolarHBondContact O-N 2.66Å; F340-Q353 HydrophobicContact CD1-CG 4.27Å; F340-Q353 HydrophobicContact CD2-CG 3.99Å; F340-Q353 HydrophobicContact CE1-CB 4.11Å; F340-Q353 HydrophobicContact CE1-CG 3.89Å; F340-Q353 HydrophobicContact CE2-CB 4.33Å; F340-Q353 HydrophobicContact CE2-CG 3.6Å; F340-Q353 HydrophobicContact CG-CG 4.32Å; F340-Q353 HydrophobicContact CZ-CB 3.83Å; F340-Q353 HydrophobicContact CZ-CG 3.56Å; R342-Q353 VanDerWaalsContact CD-OE1 3.26Å; R342-Q353 VanDerWaalsContact NH1-OE1 3.08Å; Y349-Q353 PolarHBondContact O-NE2 2.92Å; G351-Q353 PolarHBondContact O-N 3.47Å; G351-Q353 PolarHBondContact O-NE2 3.22Å; Q353-P371 HydrophobicContact CB-CB 3.78Å; Q353-P371 HydrophobicContact CG-CB 4.41Å; Q353-A372 CarbonylContact C-O 3.58Å; Q353-A372 WeakPolarHBondContact CA-O 3.5Å |
| 354 | V | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.7 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | W335 P371 A372 V374 V391 Y441 | W335-V354 HydrophobicContact CG-CG1 4.2Å; V354-P371 CarbonylContact O-C 3.54Å; V354-P371 VanDerWaalsContact O-CA 3.31Å; V354-P371 WeakPolarHBondContact O-CA 3.41Å; V354-A372 HydrophobicContact CB-CB 4.21Å; V354-A372 PolarHBondContact N-O 3.07Å; V354-A372 PolarHBondContact O-N 3.3Å; V354-V374 HydrophobicContact CG2-CG2 3.68Å; V354-V391 HydrophobicContact CB-CG1 4.1Å; V354-V391 HydrophobicContact CG1-CG1 3.85Å; V354-V391 HydrophobicContact CG1-CG2 4.19Å; V354-V391 HydrophobicContact CG2-CG1 4.01Å; V354-Y441 HydrophobicContact CG2-CE1 3.78Å; V354-Y441 WeakPolarHBondContact CG2-OH 3.27Å |
| 355 | L | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132.5 | 175.6 | -70.4 | 155.3 | 0 | 0 | 0 | 108.6 | T218 M281 L285 N336 S338 P371 | T218-L355 HydrophobicContact CG2-CD1 3.88Å; M281-L355 HydrophobicContact CE-CB 3.46Å; M281-L355 VanDerWaalsContact CE-CB 3.46Å; M281-L355 HydrophobicContact CE-CD1 3.96Å; M281-L355 HydrophobicContact CE-CD2 4.08Å; M281-L355 HydrophobicContact CE-CG 4.04Å; M281-L355 HydrophobicContact SD-CB 4.24Å; L285-L355 HydrophobicContact CD1-CD1 4.19Å; N336-L355 HydrophobicContact CB-CB 4.39Å; N336-L355 PolarHBondContact N-O 3.11Å; N336-L355 PolarHBondContact O-N 3.31Å; N336-L355 VanDerWaalsContact O-O 3.14Å; S338-L355 VanDerWaalsContact OG-CD1 3.27Å; S338-L355 WeakPolarHBondContact OG-CD1 3.36Å; L355-P371 HydrophobicContact CD2-CB 3.96Å; L355-P371 HydrophobicContact CG-CB 4.41Å |
| 356 | D | 98.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.8 | 178.6 | -166.9 | -0.5 | 0 | 0 | 0 | 111.3 | H333 W335 T358 C369 | H333-D356 IonicContact CD2-OD2 3.84Å; H333-D356 IonicContact CE1-OD2 2.78Å; H333-D356 PolarHBondContact CE1-OD2 2.9Å; H333-D356 IonicContact NE2-OD2 2.82Å; H333-D356 PolarHBondContact NE2-OD2 2.94Å; W335-D356 HydrophobicContact CB-CB 3.99Å; D356-T358 WeakPolarHBondContact OD1-CB 3.5Å; D356-T358 PolarHBondContact OD1-N 2.79Å; D356-T358 PolarHBondContact OD1-OG1 3.05Å; D356-C369 HydrophobicContact CB-CB 3.91Å; D356-C369 PolarHBondContact N-O 3.09Å; D356-C369 VanDerWaalsContact N-O 3.16Å; D356-C369 WeakPolarHBondContact O-CB 3.2Å |
| 357 | A | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -91.5 | -3.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S222 V225 N226 F277 M281 P359 | S222-A357 WeakPolarHBondContact O-CA 3.26Å; V225-A357 HydrophobicContact CB-CB 3.68Å; V225-A357 HydrophobicContact CG1-CB 3.63Å; N226-A357 WeakPolarHBondContact CB-O 3.4Å; N226-A357 PolarHBondContact ND2-O 3.42Å; F277-A357 HydrophobicContact CB-CB 4.08Å; M281-A357 HydrophobicContact CB-CB 4.34Å; M281-A357 HydrophobicContact SD-CB 3.73Å; A357-P359 WeakPolarHBondContact O-CD 3.5Å | ||
| 358 | T | 95.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -72 | 123.1 | 176.4 | -49 | 0 | 0 | 0 | 0 | 109 | W238 C274 F277 W330 H333 D356 Q360 | W238-T358 HydrophobicContact CH2-CG2 4.02Å; W238-T358 HydrophobicContact CZ2-CG2 3.82Å; C274-T358 WeakPolarHBondContact CA-OG1 3.31Å; C274-T358 HydrophobicContact CB-CG2 4.11Å; C274-T358 WeakPolarHBondContact CB-OG1 3.34Å; F277-T358 HydrophobicContact CD2-CG2 4.4Å; W330-T358 HydrophobicContact CH2-CG2 4.41Å; H333-T358 PolarHBondContact CE1-OG1 3.03Å; D356-T358 WeakPolarHBondContact OD1-CB 3.5Å; D356-T358 PolarHBondContact OD1-N 2.79Å; D356-T358 PolarHBondContact OD1-OG1 3.05Å; T358-Q360 VanDerWaalsContact C-N 3.33Å; T358-Q360 HydrophobicContact CG2-CG 4.11Å; T358-Q360 PolarHBondContact O-N 2.51Å |
| 359 | P | 91.1 | Very high | 93.6 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | trans | -77.3 | 82.8 | -175.8 | 31.6 | -35.9 | 0 | 0 | 0 | 110.8 | N226 N228 W238 A357 F367 | N226-P359 HydrophobicContact CB-CB 4.28Å; N226-P359 HydrophobicContact CB-CG 4.14Å; N228-P359 HydrophobicContact CB-CB 4.2Å; N228-P359 VanDerWaalsContact CG-CB 3.47Å; N228-P359 WeakPolarHBondContact ND2-CB 3.23Å; N228-P359 WeakPolarHBondContact OD1-CG 3.39Å; W238-P359 HydrophobicContact CH2-CG 4.45Å; A357-P359 WeakPolarHBondContact O-CD 3.5Å; P359-F367 HydrophobicContact CB-CB 3.88Å; P359-F367 HydrophobicContact CB-CD1 3.66Å; P359-F367 HydrophobicContact CB-CE1 4.35Å; P359-F367 HydrophobicContact CB-CG 3.8Å | ||
| 360 | Q | 85.3 | Confident | 93.6 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -99.6 | -58.3 | 176.7 | -70 | -177.8 | -83.8 | 0 | 0 | 111.8 | H302 H333 T358 F390 | H302-Q360 PolarHBondContact ND1-NE2 3.1Å; H333-Q360 PolarHBondContact CE1-OE1 2.8Å; H333-Q360 PolarHBondContact NE2-OE1 2.99Å; T358-Q360 VanDerWaalsContact C-N 3.33Å; T358-Q360 HydrophobicContact CG2-CG 4.11Å; T358-Q360 PolarHBondContact O-N 2.51Å; Q360-F390 HydrophobicContact CB-CE2 4.39Å; Q360-F390 HydrophobicContact CB-CZ 3.83Å |
| 361 | E | 86.1 | Confident | 93.6 | Very high | 59 Ų | 59 | 27.7 Ų | 27.7 | 28% | 0.276 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -120.1 | 146.8 | -178.7 | -70.5 | -58 | 139.9 | 0 | 0 | 111.6 | H302 F390 | H302-E361 IonicContact CD2-OE1 3.12Å; H302-E361 IonicContact CE1-OE1 2.75Å; H302-E361 IonicContact NE2-OE1 2.87Å; H302-E361 PolarHBondContact NE2-OE1 2.9Å; E361-F390 HydrophobicContact CB-CD2 4.2Å; E361-F390 HydrophobicContact CB-CE2 4.29Å; E361-F390 HydrophobicContact CB-CG 4.5Å; E361-F390 HydrophobicContact CG-CD2 3.46Å; E361-F390 VanDerWaalsContact CG-CD2 3.46Å; E361-F390 HydrophobicContact CG-CE2 3.46Å; E361-F390 VanDerWaalsContact CG-CE2 3.46Å; E361-F390 HydrophobicContact CG-CG 4.21Å; E361-F390 HydrophobicContact CG-CZ 4.22Å |
| 362 | E | 88.7 | Confident | 93.6 | Very high | 109 Ų | 109 | 27.6 Ų | 27.6 | 51% | 0.509 | 15% | 0.147 | S | C | . | . | trans | -84.1 | 125.4 | 172.2 | -69.2 | -174.1 | 178.1 | 0 | 0 | 110.5 | V366 F367 | E362-V366 CarbonylContact C-O 3.6Å; E362-V366 WeakPolarHBondContact CA-O 3.42Å; E362-F367 HydrophobicContact CG-CD1 4.1Å; E362-F367 HydrophobicContact CG-CD2 4.07Å; E362-F367 HydrophobicContact CG-CE1 3.87Å; E362-F367 HydrophobicContact CG-CE2 3.82Å; E362-F367 HydrophobicContact CG-CG 4.21Å; E362-F367 HydrophobicContact CG-CZ 3.72Å; E362-F367 WeakPolarHBondContact OE1-CE2 3.29Å | ||
| 363 | S | 89.3 | Confident | 93.6 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -106.5 | 114.2 | 169.3 | -173.2 | 0 | 0 | 0 | 0 | 109 | R219 G365 V366 Q368 D387 | R219-S363 PolarHBondContact NH2-OG 3.11Å; S363-G365 PolarHBondContact O-N 2.86Å; S363-V366 PolarHBondContact N-O 3.38Å; S363-V366 PolarHBondContact O-N 3.36Å; S363-V366 VanDerWaalsContact O-O 3.09Å; S363-Q368 WeakPolarHBondContact CB-O 3.38Å; S363-Q368 PolarHBondContact O-NE2 2.84Å; S363-D387 WeakPolarHBondContact CB-OD1 3.29Å; S363-D387 PolarHBondContact OG-OD1 3.21Å |
| 364 | E | 86.3 | Confident | 93.6 | Very high | 156 Ų | 156 | 26.7 Ų | 26.7 | 73% | 0.729 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 32.8 | -176.9 | -55.1 | 168.4 | 147.3 | 0 | 0 | 113.1 | R219 V366 | R219-E364 IonicContact CZ-OE2 3.03Å; R219-E364 IonicContact NE-OE2 2.73Å; R219-E364 IonicContact NH2-OE2 3.45Å; R219-E364 PolarHBondContact NH2-OE2 3.47Å; E364-V366 VanDerWaalsContact C-N 3.34Å |
| 365 | G | 85.9 | Confident | 93.5 | Very high | 45 Ų | 45 | 29.5 Ų | 29.5 | 46% | 0.464 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 13.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S363 | S363-G365 PolarHBondContact O-N 2.86Š|
| 366 | V | 89.7 | Confident | 93.5 | Very high | 42 Ų | 42 | 29.8 Ų | 29.8 | 26% | 0.255 | 16% | 0.164 | S | C | . | . | B | Isolated β-bridge | trans | -130.4 | 138.2 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | A223 N229 E362 S363 E364 Q368 | A223-V366 HydrophobicContact CB-CG1 4.12Å; N229-V366 HydrophobicContact CB-CG1 4.26Å; E362-V366 CarbonylContact C-O 3.6Å; E362-V366 WeakPolarHBondContact CA-O 3.42Å; S363-V366 PolarHBondContact N-O 3.38Å; S363-V366 PolarHBondContact O-N 3.36Å; S363-V366 VanDerWaalsContact O-O 3.09Å; E364-V366 VanDerWaalsContact C-N 3.34Å; V366-Q368 VanDerWaalsContact C-N 3.25Å; V366-Q368 HydrophobicContact CB-CG 4.21Å; V366-Q368 HydrophobicContact CG1-CB 4.3Å; V366-Q368 HydrophobicContact CG1-CG 4.29Å; V366-Q368 PolarHBondContact O-N 2.87Å |
| 367 | F | 92.8 | Very high | 93.5 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 17% | 0.171 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -70.4 | 82.3 | 170.2 | -72.5 | -76.5 | 0 | 0 | 0 | 109.8 | A223 N226 N228 N229 P359 E362 | A223-F367 WeakPolarHBondContact CA-O 3.47Å; N226-F367 PolarHBondContact ND2-O 3.43Å; N228-F367 HydrophobicContact CB-CB 4.17Å; N228-F367 HydrophobicContact CB-CD2 3.32Å; N228-F367 HydrophobicContact CB-CE2 3.92Å; N228-F367 HydrophobicContact CB-CG 3.9Å; N229-F367 VanDerWaalsContact OD1-CB 3.28Å; N229-F367 WeakPolarHBondContact OD1-CB 3.37Å; N229-F367 VanDerWaalsContact OD1-CD2 3.22Å; N229-F367 WeakPolarHBondContact OD1-CD2 3.43Å; N229-F367 PolarHBondContact OD1-N 3.47Å; P359-F367 HydrophobicContact CB-CB 3.88Å; P359-F367 HydrophobicContact CB-CD1 3.66Å; P359-F367 HydrophobicContact CB-CE1 4.35Å; P359-F367 HydrophobicContact CB-CG 3.8Å; E362-F367 HydrophobicContact CG-CD1 4.1Å; E362-F367 HydrophobicContact CG-CD2 4.07Å; E362-F367 HydrophobicContact CG-CE1 3.87Å; E362-F367 HydrophobicContact CG-CE2 3.82Å; E362-F367 HydrophobicContact CG-CG 4.21Å; E362-F367 HydrophobicContact CG-CZ 3.72Å; E362-F367 WeakPolarHBondContact OE1-CE2 3.29Å |
| 368 | Q | 94.1 | Very high | 93.5 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 13% | 0.126 | 18% | 0.179 | C | C | . | . | trans | -142.2 | 145 | 177.7 | 67.5 | -173.9 | -14 | 0 | 0 | 107.8 | R219 A223 S363 V366 | R219-Q368 VanDerWaalsContact NH2-NE2 3.14Å; A223-Q368 HydrophobicContact CB-CB 3.74Å; S363-Q368 WeakPolarHBondContact CB-O 3.38Å; S363-Q368 PolarHBondContact O-NE2 2.84Å; V366-Q368 VanDerWaalsContact C-N 3.25Å; V366-Q368 HydrophobicContact CB-CG 4.21Å; V366-Q368 HydrophobicContact CG1-CB 4.3Å; V366-Q368 HydrophobicContact CG1-CG 4.29Å; V366-Q368 PolarHBondContact O-N 2.87Å | ||
| 369 | C | 96.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 128.5 | -178.9 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | S222 D356 D387 | S222-C369 PolarHBondContact OG-N 3.17Å; D356-C369 HydrophobicContact CB-CB 3.91Å; D356-C369 PolarHBondContact N-O 3.09Å; D356-C369 VanDerWaalsContact N-O 3.16Å; D356-C369 WeakPolarHBondContact O-CB 3.2Å; C369-D387 WeakPolarHBondContact CA-OD2 3.41Å |
| 370 | G | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.1 | -176.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R219 D387 | R219-G370 WeakPolarHBondContact CG-O 3.11Å; R219-G370 PolarHBondContact NH1-O 2.84Å; G370-D387 PolarHBondContact N-OD2 2.92Å |
| 371 | P | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -75.2 | 126.3 | 3 | 27.4 | -34 | 0 | 0 | 0 | 114.4 | I215 F340 R342 Q353 V354 L355 H386 | I215-P371 HydrophobicContact CB-CG 4.34Å; I215-P371 HydrophobicContact CG2-CG 3.77Å; F340-P371 HydrophobicContact CE2-CB 4.16Å; F340-P371 HydrophobicContact CE2-CG 4.21Å; F340-P371 HydrophobicContact CZ-CB 3.63Å; F340-P371 HydrophobicContact CZ-CG 3.94Å; R342-P371 PolarHBondContact NH1-O 3.39Å; Q353-P371 HydrophobicContact CB-CB 3.78Å; Q353-P371 HydrophobicContact CG-CB 4.41Å; V354-P371 CarbonylContact O-C 3.54Å; V354-P371 VanDerWaalsContact O-CA 3.31Å; V354-P371 WeakPolarHBondContact O-CA 3.41Å; L355-P371 HydrophobicContact CD2-CB 3.96Å; L355-P371 HydrophobicContact CG-CB 4.41Å; P371-H386 PolarHBondContact O-N 2.59Å; P371-H386 VanDerWaalsContact O-N 3.08Å |
| 372 | A | 98.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q353 V354 V374 I377 H386 V391 | Q353-A372 CarbonylContact C-O 3.58Å; Q353-A372 WeakPolarHBondContact CA-O 3.5Å; V354-A372 HydrophobicContact CB-CB 4.21Å; V354-A372 PolarHBondContact N-O 3.07Å; V354-A372 PolarHBondContact O-N 3.3Å; A372-V374 PolarHBondContact O-N 2.77Å; A372-I377 HydrophobicContact CB-CD1 4.41Å; A372-H386 WeakPolarHBondContact CB-O 3.23Å; A372-V391 HydrophobicContact CB-CB 4.44Å; A372-V391 HydrophobicContact CB-CG2 4.11Å |
| 373 | S | 98.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 123.9 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | Y349 T375 A376 I377 | Y349-S373 WeakPolarHBondContact CA-OG 3.46Å; Y349-S373 WeakPolarHBondContact CB-OG 3.08Å; Y349-S373 PolarHBondContact O-OG 2.91Å; S373-T375 PolarHBondContact O-N 3.49Å; S373-T375 PolarHBondContact OG-N 3.5Å; S373-A376 WeakPolarHBondContact O-CA 3.48Å; S373-A376 WeakPolarHBondContact O-CB 3.13Å; S373-A376 PolarHBondContact O-N 2.97Å; S373-I377 WeakPolarHBondContact O-CG1 3.27Å; S373-I377 PolarHBondContact O-N 3.02Å |
| 374 | V | 98.7 | Very high | 95.2 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.9 | -37 | 177 | 173 | 0 | 0 | 0 | 0 | 110.6 | E337 W352 V354 A372 I377 R378 L440 Y441 | E337-V374 HydrophobicContact CG-CG2 4.3Å; W352-V374 HydrophobicContact CB-CB 4.45Å; W352-V374 HydrophobicContact CB-CG2 3.97Å; W352-V374 WeakPolarHBondContact O-CB 3.34Å; W352-V374 VanDerWaalsContact O-CG2 3.31Å; W352-V374 WeakPolarHBondContact O-CG2 3.41Å; W352-V374 PolarHBondContact O-N 2.79Å; W352-V374 VanDerWaalsContact O-N 3.09Å; V354-V374 HydrophobicContact CG2-CG2 3.68Å; A372-V374 PolarHBondContact O-N 2.77Å; V374-I377 PolarHBondContact O-N 3.44Å; V374-R378 WeakPolarHBondContact O-CB 3.43Å; V374-R378 PolarHBondContact O-N 3.41Å; V374-L440 HydrophobicContact CG1-CB 4.13Å; V374-L440 VanDerWaalsContact CG1-O 3.32Å; V374-L440 WeakPolarHBondContact CG1-O 3.38Å; V374-Y441 HydrophobicContact CG1-CD2 4.19Å; V374-Y441 HydrophobicContact CG1-CE2 4.15Å; V374-Y441 HydrophobicContact CG1-CG 4.44Å; V374-Y441 HydrophobicContact CG2-CE1 4.41Å; V374-Y441 HydrophobicContact CG2-CE2 4.41Å |
| 375 | T | 98.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 25.5 Ų | 25.5 | 36% | 0.362 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.6 | -42.3 | 174.2 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | S348 S373 I377 R378 E379 | S348-T375 WeakPolarHBondContact O-CG2 3.42Å; S373-T375 PolarHBondContact O-N 3.49Å; S373-T375 PolarHBondContact OG-N 3.5Å; T375-I377 VanDerWaalsContact C-N 3.35Å; T375-R378 PolarHBondContact O-N 2.86Å; T375-E379 PolarHBondContact O-N 2.94Å |
| 376 | A | 98 | Very high | 95.9 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y349 S373 E379 G380 D381 L384 | Y349-A376 HydrophobicContact CD1-CB 3.74Å; Y349-A376 HydrophobicContact CE1-CB 3.78Å; S373-A376 WeakPolarHBondContact O-CA 3.48Å; S373-A376 WeakPolarHBondContact O-CB 3.13Å; S373-A376 PolarHBondContact O-N 2.97Å; A376-E379 PolarHBondContact O-N 3.15Å; A376-G380 PolarHBondContact O-N 3.11Å; A376-D381 HydrophobicContact CB-CB 4.29Å; A376-D381 PolarHBondContact O-N 2.92Å; A376-L384 HydrophobicContact CB-CD1 4.19Å |
| 377 | I | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.9 | -48.6 | 174.4 | -60.5 | -56.6 | 0 | 0 | 0 | 110.2 | A372 S373 V374 T375 E379 G380 V391 F392 V395 Y441 | A372-I377 HydrophobicContact CB-CD1 4.41Å; S373-I377 WeakPolarHBondContact O-CG1 3.27Å; S373-I377 PolarHBondContact O-N 3.02Å; V374-I377 PolarHBondContact O-N 3.44Å; T375-I377 VanDerWaalsContact C-N 3.35Å; I377-E379 VanDerWaalsContact C-N 3.3Å; I377-E379 PolarHBondContact O-N 3.26Å; I377-G380 PolarHBondContact O-N 2.9Å; I377-G380 VanDerWaalsContact O-N 3.08Å; I377-V391 HydrophobicContact CD1-CB 3.86Å; I377-V391 HydrophobicContact CD1-CG1 3.77Å; I377-V391 HydrophobicContact CG1-CB 4.47Å; I377-V391 HydrophobicContact CG1-CG1 3.82Å; I377-F392 HydrophobicContact CD1-CB 4.27Å; I377-F392 HydrophobicContact CG2-CD2 4.08Å; I377-F392 WeakPolarHBondContact O-CD2 3.11Å; I377-F392 WeakPolarHBondContact O-CE2 3.48Å; I377-V395 HydrophobicContact CG2-CG2 4.01Å; I377-Y441 HydrophobicContact CG2-CD1 4.23Å |
| 378 | R | 98 | Very high | 96.2 | Very high | 83 Ų | 83 | 23 Ų | 23 | 31% | 0.313 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -59.8 | -37.1 | 178.7 | -173.6 | -177.8 | 170.9 | -177.4 | 4.3 | 114.2 | V374 T375 D439 L440 Y441 Y443 V453 | V374-R378 WeakPolarHBondContact O-CB 3.43Å; V374-R378 PolarHBondContact O-N 3.41Å; T375-R378 PolarHBondContact O-N 2.86Å; R378-D439 PolarHBondContact NE-O 2.8Å; R378-L440 WeakPolarHBondContact CB-O 3.49Å; R378-L440 WeakPolarHBondContact CD-O 3.43Å; R378-Y441 WeakPolarHBondContact CA-O 3.46Å; R378-Y443 HydrophobicContact CG-CD2 4.39Å; R378-Y443 HydrophobicContact CG-CE2 4.05Å; R378-Y443 WeakPolarHBondContact O-CE2 3.36Å; R378-V453 WeakPolarHBondContact O-CG1 3.43Å |
| 379 | E | 97.8 | Very high | 96.2 | Very high | 46 Ų | 46 | 22.8 Ų | 22.8 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -88.4 | -1.3 | 178.8 | -66.8 | -53.4 | 131.3 | 0 | 0 | 113.9 | T375 A376 I377 D381 Y443 K449 K456 | T375-E379 PolarHBondContact O-N 2.94Å; A376-E379 PolarHBondContact O-N 3.15Å; I377-E379 VanDerWaalsContact C-N 3.3Å; I377-E379 PolarHBondContact O-N 3.26Å; E379-D381 VanDerWaalsContact C-N 3.31Å; E379-Y443 WeakPolarHBondContact OE1-CE2 3.33Å; E379-Y443 VanDerWaalsContact OE1-CZ 3.3Å; E379-Y443 PolarHBondContact OE1-OH 2.9Å; E379-Y443 PolarHBondContact OE2-OH 2.79Å; E379-K449 IonicContact OE2-NZ 3.43Å; E379-K449 PolarHBondContact OE2-NZ 2.83Å; E379-K456 WeakPolarHBondContact O-CD 3.39Å; E379-K456 WeakPolarHBondContact O-CE 3.18Å; E379-K456 PolarHBondContact O-NZ 3.44Å |
| 380 | G | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 28.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A376 I377 V382 | A376-G380 PolarHBondContact O-N 3.11Å; I377-G380 PolarHBondContact O-N 2.9Å; I377-G380 VanDerWaalsContact O-N 3.08Å; G380-V382 PolarHBondContact O-N 3.09Å; G380-V382 VanDerWaalsContact O-N 3.13Å |
| 381 | D | 96.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 10% | 0.096 | 12% | 0.123 | C | C | . | . | trans | -85.3 | 50.1 | 174.6 | -72.2 | -52.3 | 0 | 0 | 0 | 111.6 | A376 E379 H383 L384 K456 | A376-D381 HydrophobicContact CB-CB 4.29Å; A376-D381 PolarHBondContact O-N 2.92Å; E379-D381 VanDerWaalsContact C-N 3.31Å; D381-H383 PolarHBondContact O-N 3.28Å; D381-H383 IonicContact OD1-CE1 3.55Å; D381-L384 HydrophobicContact CB-CD1 3.93Å; D381-L384 HydrophobicContact CB-CG 4.29Å; D381-L384 WeakPolarHBondContact O-CG 3.38Å; D381-L384 PolarHBondContact O-N 3.27Å; D381-L384 VanDerWaalsContact O-N 3.12Å; D381-K456 WeakPolarHBondContact OD1-CE 3.43Å; D381-K456 IonicContact OD1-NZ 3.49Å; D381-K456 PolarHBondContact OD1-NZ 2.96Å; D381-K456 IonicContact OD2-NZ 3.84Å; D381-K456 PolarHBondContact OD2-NZ 3.25Å | ||
| 382 | V | 93.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -7 | -173 | -57.7 | 0 | 0 | 0 | 0 | 115.7 | G380 P389 F392 A457 R460 L461 | G380-V382 PolarHBondContact O-N 3.09Å; G380-V382 VanDerWaalsContact O-N 3.13Å; V382-P389 WeakPolarHBondContact O-CD 3.48Å; V382-P389 WeakPolarHBondContact O-CG 3.44Å; V382-F392 HydrophobicContact CG1-CB 3.5Å; V382-F392 HydrophobicContact CG1-CD1 4.17Å; V382-F392 HydrophobicContact CG1-CD2 3.75Å; V382-F392 HydrophobicContact CG1-CG 3.54Å; V382-A457 HydrophobicContact CG1-CB 3.85Å; V382-A457 HydrophobicContact CG2-CB 4.2Å; V382-R460 HydrophobicContact CG2-CB 4.02Å; V382-L461 HydrophobicContact CG2-CD2 3.86Å; V382-L461 HydrophobicContact CG2-CG 4.02Å |
| 383 | H | 92.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 23.2 Ų | 23.2 | 32% | 0.319 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.6 | 178.5 | 63.9 | -68.3 | 0 | 0 | 0 | 112.7 | D381 M464 | D381-H383 PolarHBondContact O-N 3.28Å; D381-H383 IonicContact OD1-CE1 3.55Å; H383-M464 HydrophobicContact CB-CE 4.09Å; H383-M464 HydrophobicContact CB-SD 3.58Å; H383-M464 VanDerWaalsContact CB-SD 3.58Å |
| 384 | L | 94.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 23.2 Ų | 23.2 | 21% | 0.209 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -75.8 | 148.6 | 177.5 | -59.8 | -180 | 0 | 0 | 0 | 110.1 | L345 Y349 A376 D381 | L345-L384 HydrophobicContact CD1-CB 4.17Å; L345-L384 HydrophobicContact CD1-CD1 4.29Å; L345-L384 HydrophobicContact CD2-CB 4.07Å; L345-L384 HydrophobicContact CD2-CD2 4.25Å; Y349-L384 HydrophobicContact CD1-CD1 4.26Å; Y349-L384 HydrophobicContact CD2-CD1 4.37Å; Y349-L384 HydrophobicContact CE1-CD1 3.7Å; Y349-L384 HydrophobicContact CE2-CD1 3.82Å; Y349-L384 VanDerWaalsContact CZ-CD1 3.44Å; A376-L384 HydrophobicContact CB-CD1 4.19Å; D381-L384 HydrophobicContact CB-CD1 3.93Å; D381-L384 HydrophobicContact CB-CG 4.29Å; D381-L384 WeakPolarHBondContact O-CG 3.38Å; D381-L384 PolarHBondContact O-N 3.27Å; D381-L384 VanDerWaalsContact O-N 3.12Å |
| 385 | A | 93.1 | Very high | 95.3 | Very high | 38 Ų | 38 | 22.8 Ų | 22.8 | 31% | 0.314 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 147.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R342 | R342-A385 PolarHBondContact NH1-O 3.47Å; R342-A385 PolarHBondContact NH2-O 3.13Å |
| 386 | H | 94.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 20.5 Ų | 20.5 | 17% | 0.171 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -110.6 | 153.9 | -9.5 | -61.6 | -92 | 0 | 0 | 0 | 109.5 | P371 A372 G388 | P371-H386 PolarHBondContact O-N 2.59Å; P371-H386 VanDerWaalsContact O-N 3.08Å; A372-H386 WeakPolarHBondContact CB-O 3.23Å; H386-G388 PolarHBondContact O-N 2.98Å |
| 387 | D | 94.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 20.3 Ų | 20.3 | 18% | 0.176 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 19.8 | 165.2 | -46.9 | -49.3 | 0 | 0 | 0 | 115.4 | R219 S363 C369 G370 P389 F390 V391 | R219-D387 IonicContact NH1-OD2 3.78Å; R219-D387 PolarHBondContact NH1-OD2 2.9Å; S363-D387 WeakPolarHBondContact CB-OD1 3.29Å; S363-D387 PolarHBondContact OG-OD1 3.21Å; C369-D387 WeakPolarHBondContact CA-OD2 3.41Å; G370-D387 PolarHBondContact N-OD2 2.92Å; D387-P389 VanDerWaalsContact C-N 3.33Å; D387-F390 PolarHBondContact O-N 3.46Å; D387-F390 VanDerWaalsContact O-N 3.12Å; D387-V391 PolarHBondContact O-N 3.17Å; D387-V391 VanDerWaalsContact O-N 3.11Å |
| 388 | G | 94.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -52.6 | -38.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H386 F392 | H386-G388 PolarHBondContact O-N 2.98Å; G388-F392 WeakPolarHBondContact O-CB 3.07Å; G388-F392 PolarHBondContact O-N 3.01Å |
| 389 | P | 92.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 17.2 Ų | 17.2 | 16% | 0.156 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.6 | -49 | 175.7 | -29.7 | 41.8 | 0 | 0 | 0 | 113 | V382 D387 A393 L461 | V382-P389 WeakPolarHBondContact O-CD 3.48Å; V382-P389 WeakPolarHBondContact O-CG 3.44Å; D387-P389 VanDerWaalsContact C-N 3.33Å; P389-A393 PolarHBondContact O-N 3.05Å; P389-A393 VanDerWaalsContact O-N 3.09Å; P389-L461 HydrophobicContact CB-CD2 3.45Å; P389-L461 VanDerWaalsContact CB-CD2 3.45Å; P389-L461 HydrophobicContact CG-CD2 3.54Å |
| 390 | F | 92.5 | Very high | 93.3 | Very high | 18 Ų | 18 | 15.2 Ų | 15.2 | 8% | 0.079 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.1 | -55.8 | -177.1 | 173.5 | -106.5 | 0 | 0 | 0 | 109.8 | H302 Q360 E361 D387 F392 A393 E394 | H302-F390 AromaticContact CD2-CE2 3.83Å; Q360-F390 HydrophobicContact CB-CE2 4.39Å; Q360-F390 HydrophobicContact CB-CZ 3.83Å; E361-F390 HydrophobicContact CB-CD2 4.2Å; E361-F390 HydrophobicContact CB-CE2 4.29Å; E361-F390 HydrophobicContact CB-CG 4.5Å; E361-F390 HydrophobicContact CG-CD2 3.46Å; E361-F390 VanDerWaalsContact CG-CD2 3.46Å; E361-F390 HydrophobicContact CG-CE2 3.46Å; E361-F390 VanDerWaalsContact CG-CE2 3.46Å; E361-F390 HydrophobicContact CG-CG 4.21Å; E361-F390 HydrophobicContact CG-CZ 4.22Å; D387-F390 PolarHBondContact O-N 3.46Å; D387-F390 VanDerWaalsContact O-N 3.12Å; F390-F392 PolarHBondContact O-N 2.95Å; F390-A393 WeakPolarHBondContact O-CA 3.49Å; F390-A393 VanDerWaalsContact O-CB 3.3Å; F390-A393 WeakPolarHBondContact O-CB 3Å; F390-A393 PolarHBondContact O-N 2.84Å; F390-E394 HydrophobicContact CE1-CG 4.19Å; F390-E394 HydrophobicContact CE2-CG 4.43Å; F390-E394 HydrophobicContact CZ-CG 4.14Å; F390-E394 WeakPolarHBondContact O-CG 3.47Å; F390-E394 PolarHBondContact O-N 2.66Å; F390-E394 VanDerWaalsContact O-N 3.12Å |
| 391 | V | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.1 | -37.2 | -179.4 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | V354 A372 I377 D387 E394 | V354-V391 HydrophobicContact CB-CG1 4.1Å; V354-V391 HydrophobicContact CG1-CG1 3.85Å; V354-V391 HydrophobicContact CG1-CG2 4.19Å; V354-V391 HydrophobicContact CG2-CG1 4.01Å; A372-V391 HydrophobicContact CB-CB 4.44Å; A372-V391 HydrophobicContact CB-CG2 4.11Å; I377-V391 HydrophobicContact CD1-CB 3.86Å; I377-V391 HydrophobicContact CD1-CG1 3.77Å; I377-V391 HydrophobicContact CG1-CB 4.47Å; I377-V391 HydrophobicContact CG1-CG1 3.82Å; D387-V391 PolarHBondContact O-N 3.17Å; D387-V391 VanDerWaalsContact O-N 3.11Å; V391-E394 PolarHBondContact O-N 3.35Å |
| 392 | F | 96.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 176.1 | -173.4 | -87 | 0 | 0 | 0 | 112.2 | L308 I377 V382 G388 F390 E394 V395 N396 V453 Y454 A457 | L308-F392 HydrophobicContact CD1-CD1 3.93Å; L308-F392 HydrophobicContact CD1-CE1 3.95Å; L308-F392 HydrophobicContact CD2-CD1 3.81Å; I377-F392 HydrophobicContact CD1-CB 4.27Å; I377-F392 HydrophobicContact CG2-CD2 4.08Å; I377-F392 WeakPolarHBondContact O-CD2 3.11Å; I377-F392 WeakPolarHBondContact O-CE2 3.48Å; V382-F392 HydrophobicContact CG1-CB 3.5Å; V382-F392 HydrophobicContact CG1-CD1 4.17Å; V382-F392 HydrophobicContact CG1-CD2 3.75Å; V382-F392 HydrophobicContact CG1-CG 3.54Å; G388-F392 WeakPolarHBondContact O-CB 3.07Å; G388-F392 PolarHBondContact O-N 3.01Å; F390-F392 PolarHBondContact O-N 2.95Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.84Å; F392-V395 WeakPolarHBondContact O-CG2 3.2Å; F392-V395 PolarHBondContact O-N 2.79Å; F392-N396 HydrophobicContact CD1-CB 3.95Å; F392-N396 HydrophobicContact CE1-CB 3.5Å; F392-N396 HydrophobicContact CE2-CB 4.4Å; F392-N396 WeakPolarHBondContact CE2-ND2 3.46Å; F392-N396 HydrophobicContact CZ-CB 3.76Å; F392-N396 WeakPolarHBondContact O-CB 3.32Å; F392-N396 PolarHBondContact O-N 3.23Å; F392-V453 HydrophobicContact CE2-CG1 3.98Å; F392-V453 HydrophobicContact CZ-CG1 4.12Å; F392-Y454 HydrophobicContact CE1-CD2 4.16Å; F392-A457 HydrophobicContact CD1-CB 3.98Å; F392-A457 HydrophobicContact CE1-CB 3.56Å; F392-A457 HydrophobicContact CE2-CB 4.2Å; F392-A457 HydrophobicContact CG-CB 4.47Å; F392-A457 HydrophobicContact CZ-CB 3.69Å |
| 393 | A | 93.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A301 D303 L308 P389 F390 V395 N396 A397 | A301-A393 WeakPolarHBondContact CB-O 3.5Å; D303-A393 HydrophobicContact CB-CB 3.68Å; L308-A393 HydrophobicContact CD2-CB 3.65Å; P389-A393 PolarHBondContact O-N 3.05Å; P389-A393 VanDerWaalsContact O-N 3.09Å; F390-A393 WeakPolarHBondContact O-CA 3.49Å; F390-A393 VanDerWaalsContact O-CB 3.3Å; F390-A393 WeakPolarHBondContact O-CB 3Å; F390-A393 PolarHBondContact O-N 2.84Å; A393-V395 PolarHBondContact O-N 3.32Å; A393-N396 PolarHBondContact O-N 2.97Å; A393-A397 WeakPolarHBondContact O-CB 3.23Å; A393-A397 PolarHBondContact O-N 2.83Å |
| 394 | E | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -53.1 | -31 | -179.1 | -60.2 | -169.6 | 98.2 | 0 | 0 | 113.7 | N297 A301 H333 W335 F390 V391 F392 I420 | N297-E394 PolarHBondContact ND2-O 3.33Å; A301-E394 PolarHBondContact N-O 3.46Å; A301-E394 WeakPolarHBondContact O-CA 3.31Å; A301-E394 WeakPolarHBondContact O-CG 3.22Å; H333-E394 IonicContact CD2-OE1 2.84Å; H333-E394 PolarHBondContact CD2-OE1 3Å; H333-E394 IonicContact NE2-OE1 2.87Å; W335-E394 HydrophobicContact CZ3-CB 4.5Å; F390-E394 HydrophobicContact CE1-CG 4.19Å; F390-E394 HydrophobicContact CE2-CG 4.43Å; F390-E394 HydrophobicContact CZ-CG 4.14Å; F390-E394 WeakPolarHBondContact O-CG 3.47Å; F390-E394 PolarHBondContact O-N 2.66Å; F390-E394 VanDerWaalsContact O-N 3.12Å; V391-E394 PolarHBondContact O-N 3.35Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.84Å; E394-I420 WeakPolarHBondContact O-CG2 3.49Å |
| 395 | V | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -111.3 | -17.6 | -176.2 | -64 | 0 | 0 | 0 | 0 | 114.9 | W335 I377 F392 A393 G421 I424 Y441 K442 | W335-V395 HydrophobicContact CH2-CG1 3.76Å; W335-V395 HydrophobicContact CZ2-CG1 4.33Å; I377-V395 HydrophobicContact CG2-CG2 4.01Å; F392-V395 WeakPolarHBondContact O-CG2 3.2Å; F392-V395 PolarHBondContact O-N 2.79Å; A393-V395 PolarHBondContact O-N 3.32Å; V395-G421 WeakPolarHBondContact O-CA 3.23Å; V395-I424 HydrophobicContact CB-CD1 4.25Å; V395-I424 HydrophobicContact CG1-CD1 3.66Å; V395-Y441 HydrophobicContact CG1-CD1 4.04Å; V395-Y441 HydrophobicContact CG2-CD1 4.34Å; V395-K442 PolarHBondContact O-NZ 2.88Å |
| 396 | N | 94.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 6% | 0.059 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -127.7 | -1.5 | -174.2 | -73.3 | -68.9 | 0 | 0 | 0 | 115 | F392 A393 D398 K442 Y454 | F392-N396 HydrophobicContact CD1-CB 3.95Å; F392-N396 HydrophobicContact CE1-CB 3.5Å; F392-N396 HydrophobicContact CE2-CB 4.4Å; F392-N396 WeakPolarHBondContact CE2-ND2 3.46Å; F392-N396 HydrophobicContact CZ-CB 3.76Å; F392-N396 WeakPolarHBondContact O-CB 3.32Å; F392-N396 PolarHBondContact O-N 3.23Å; A393-N396 PolarHBondContact O-N 2.97Å; N396-D398 PolarHBondContact O-N 3.2Å; N396-K442 WeakPolarHBondContact OD1-CB 3.49Å; N396-K442 VanDerWaalsContact OD1-CD 3.26Å; N396-K442 WeakPolarHBondContact OD1-CD 3.38Å; N396-Y454 HydrophobicContact CB-CD2 4.4Å; N396-Y454 VanDerWaalsContact O-CE2 3.26Å; N396-Y454 WeakPolarHBondContact O-CE2 3.36Å |
| 397 | A | 90.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | trans | -59.5 | 139.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A301 L308 V310 A393 I420 | A301-A397 HydrophobicContact CB-CB 3.8Å; L308-A397 CarbonylContact O-C 3.54Å; L308-A397 WeakPolarHBondContact O-CA 3.49Å; L308-A397 WeakPolarHBondContact O-CB 3.44Å; V310-A397 HydrophobicContact CG2-CB 4.05Å; A393-A397 WeakPolarHBondContact O-CB 3.23Å; A393-A397 PolarHBondContact O-N 2.83Å; A397-I420 HydrophobicContact CB-CG2 4.43Å; A397-I420 VanDerWaalsContact O-CB 3.32Å; A397-I420 WeakPolarHBondContact O-CB 3.39Å; A397-I420 WeakPolarHBondContact O-CG1 3.47Å | ||
| 398 | D | 89.1 | Confident | 89.5 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 136 | 171.4 | -74.3 | -29.7 | 0 | 0 | 0 | 109.3 | L308 S309 V310 N396 T417 R451 Y454 | L308-D398 PolarHBondContact O-N 3.2Å; S309-D398 CarbonylContact C-O 3.52Å; S309-D398 VanDerWaalsContact CA-O 3.3Å; S309-D398 WeakPolarHBondContact CA-O 3.42Å; S309-D398 PolarHBondContact OG-O 3.27Å; V310-D398 PolarHBondContact N-O 2.95Å; N396-D398 PolarHBondContact O-N 3.2Å; D398-T417 WeakPolarHBondContact OD1-CA 3.21Å; D398-T417 WeakPolarHBondContact OD1-CB 3.46Å; D398-T417 WeakPolarHBondContact OD1-CG2 3.2Å; D398-R451 IonicContact OD1-CZ 2.67Å; D398-R451 IonicContact OD1-NH1 3.97Å; D398-R451 PolarHBondContact OD1-NH1 2.89Å; D398-R451 IonicContact OD1-NH2 3.7Å; D398-R451 IonicContact OD2-NH1 3.95Å; D398-Y454 VanDerWaalsContact CG-OH 3.25Å; D398-Y454 WeakPolarHBondContact OD2-CE1 3.48Å; D398-Y454 VanDerWaalsContact OD2-CZ 3.29Å; D398-Y454 PolarHBondContact OD2-OH 2.85Å |
| 399 | Y | 86.6 | Confident | 89 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.4 | -178.5 | -169.8 | -102.4 | 0 | 0 | 0 | 110.8 | V310 K312 M329 S415 N416 K419 I420 | V310-Y399 HydrophobicContact CB-CD2 4Å; V310-Y399 HydrophobicContact CB-CE2 4.48Å; V310-Y399 HydrophobicContact CG1-CD2 3.75Å; V310-Y399 HydrophobicContact CG1-CE2 3.73Å; K312-Y399 HydrophobicContact CB-CE1 4.5Å; K312-Y399 HydrophobicContact CB-CE2 4.39Å; K312-Y399 WeakPolarHBondContact CD-OH 3.45Å; M329-Y399 HydrophobicContact CB-CD2 4.39Å; M329-Y399 HydrophobicContact CB-CE2 3.81Å; M329-Y399 HydrophobicContact CE-CE1 4.49Å; M329-Y399 HydrophobicContact CE-CE2 3.93Å; M329-Y399 HydrophobicContact CG-CE2 4.45Å; M329-Y399 HydrophobicContact SD-CD2 4.19Å; M329-Y399 HydrophobicContact SD-CE2 3.99Å; Y399-S415 WeakPolarHBondContact O-CA 3.44Å; Y399-N416 PolarHBondContact N-O 2.99Å; Y399-N416 PolarHBondContact O-N 3.49Å; Y399-K419 HydrophobicContact CD1-CD 3.64Å; Y399-K419 HydrophobicContact CE1-CD 4.04Å; Y399-K419 VanDerWaalsContact CE1-NZ 3.28Å; Y399-K419 HydrophobicContact CG-CD 3.96Å; Y399-I420 HydrophobicContact CD2-CD1 4.15Å |
| 400 | I | 87.1 | Confident | 88.5 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.2 | -177.1 | -51.6 | -177.6 | 0 | 0 | 0 | 109.6 | S309 V310 K312 W402 R412 L486 | S309-I400 WeakPolarHBondContact OG-CD1 3.49Å; S309-I400 WeakPolarHBondContact OG-CG1 3.48Å; V310-I400 PolarHBondContact O-N 2.96Å; K312-I400 PolarHBondContact N-O 3.32Å; I400-W402 HydrophobicContact CG2-CD2 4.4Å; I400-W402 HydrophobicContact CG2-CZ2 3.91Å; I400-R412 HydrophobicContact CG2-CG 4.24Å; I400-L486 HydrophobicContact CD1-CD2 3.71Å |
| 401 | T | 86.2 | Confident | 88.1 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.2 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | K312 V314 V413 Y414 L597 | K312-T401 WeakPolarHBondContact O-CA 2.88Å; V314-T401 HydrophobicContact CG1-CG2 4.33Å; V314-T401 HydrophobicContact CG2-CG2 3.94Å; T401-V413 HydrophobicContact CG2-CB 4.2Å; T401-V413 HydrophobicContact CG2-CG2 4.5Å; T401-V413 PolarHBondContact O-N 3.25Å; T401-Y414 PolarHBondContact N-O 2.84Å; T401-L597 HydrophobicContact CG2-CD2 3.7Å |
| 402 | W | 88.1 | Confident | 87.5 | Confident | 23 Ų | 23 | 46.7 Ų | 46.7 | 9% | 0.087 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.6 | 178.3 | -60.8 | 95.6 | 0 | 0 | 0 | 110.1 | D311 K312 Y313 V314 I400 R410 E411 R412 | D311-W402 PolarHBondContact OD1-NE1 3.06Å; K312-W402 PolarHBondContact O-N 3.48Å; Y313-W402 WeakPolarHBondContact CA-O 3.38Å; Y313-W402 HydrophobicContact CD1-CB 3.62Å; Y313-W402 HydrophobicContact CD1-CG 4.25Å; Y313-W402 HydrophobicContact CE1-CB 3.76Å; Y313-W402 AromaticContact CE1-CG 3.92Å; Y313-W402 HydrophobicContact CE1-CG 3.92Å; Y313-W402 HydrophobicContact CG-CB 4.41Å; V314-W402 WeakPolarHBondContact CG2-O 3.4Å; V314-W402 PolarHBondContact N-O 2.99Å; I400-W402 HydrophobicContact CG2-CD2 4.4Å; I400-W402 HydrophobicContact CG2-CZ2 3.91Å; W402-R410 HydrophobicContact CE3-CB 4.38Å; W402-R410 HydrophobicContact CE3-CG 4.15Å; W402-R410 HydrophobicContact CZ3-CG 4.42Å; W402-E411 CarbonylContact C-O 3.59Å; W402-E411 WeakPolarHBondContact CA-O 3.26Å; W402-R412 HydrophobicContact CE3-CB 3.96Å; W402-R412 HydrophobicContact CH2-CB 4.16Å; W402-R412 HydrophobicContact CZ3-CB 3.69Å |
| 403 | L | 87.9 | Confident | 86.7 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.4 | 165.8 | 177.5 | 64.1 | 0 | 0 | 0 | 107.9 | V314 D315 H405 R410 E411 V413 M587 K595 | V314-L403 WeakPolarHBondContact O-CA 3.49Å; D315-L403 VanDerWaalsContact C-CD1 3.44Å; D315-L403 VanDerWaalsContact O-CD1 3.31Å; D315-L403 WeakPolarHBondContact O-CD1 3.26Å; L403-H405 VanDerWaalsContact CD2-CE1 3.46Å; L403-H405 WeakPolarHBondContact CD2-CE1 3.46Å; L403-R410 WeakPolarHBondContact O-CA 3.43Å; L403-E411 PolarHBondContact N-O 3.45Å; L403-E411 PolarHBondContact O-N 3.35Å; L403-V413 HydrophobicContact CB-CG2 3.57Å; L403-M587 HydrophobicContact CD1-CE 4.39Å; L403-K595 HydrophobicContact CD2-CD 3.73Å |
| 404 | W | 87.6 | Confident | 85.8 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.5 | 174.2 | -169.6 | -94.1 | 0 | 0 | 0 | 109.8 | Y313 V314 L321 L324 E408 R410 | Y313-W404 AromaticContact CD1-CE3 3.99Å; Y313-W404 HydrophobicContact CD1-CE3 3.99Å; Y313-W404 HydrophobicContact CE1-CE3 4.28Å; Y313-W404 HydrophobicContact CE1-CZ3 4.5Å; V314-W404 PolarHBondContact O-N 2.91Å; L321-W404 HydrophobicContact CD1-CB 3.52Å; L321-W404 HydrophobicContact CD1-CG 3.86Å; L324-W404 HydrophobicContact CD1-CB 4.5Å; L324-W404 HydrophobicContact CD1-CD2 3.53Å; L324-W404 HydrophobicContact CD1-CE3 4.05Å; L324-W404 HydrophobicContact CD1-CG 3.72Å; L324-W404 HydrophobicContact CD1-CZ2 4.14Å; W404-E408 HydrophobicContact CH2-CB 4.36Å; W404-E408 HydrophobicContact CZ2-CB 3.78Å; W404-E408 HydrophobicContact CZ2-CG 4.11Å; W404-R410 HydrophobicContact CE3-CB 3.97Å; W404-R410 HydrophobicContact CZ3-CB 4.13Å |
| 405 | H | 84.9 | Confident | 85.1 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -102.2 | 158.8 | 179.3 | -67.2 | -81.3 | 0 | 0 | 0 | 111.2 | L403 D407 E408 S409 E411 | L403-H405 VanDerWaalsContact CD2-CE1 3.46Å; L403-H405 WeakPolarHBondContact CD2-CE1 3.46Å; H405-D407 WeakPolarHBondContact CB-OD1 3.17Å; H405-D407 PolarHBondContact O-N 3.03Å; H405-E408 PolarHBondContact O-N 2.93Å; H405-S409 WeakPolarHBondContact CB-OG 3.31Å; H405-S409 PolarHBondContact CD2-OG 3.26Å; H405-S409 PolarHBondContact N-O 3.39Å; H405-E411 IonicContact NE2-OE2 3.92Å |
| 406 | E | 79.8 | Confident | 84.4 | Confident | 206 Ų | 206 | 54.6 Ų | 54.6 | 96% | 0.963 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.9 | 177.4 | -66.4 | -179.4 | 175.6 | 0 | 0 | 113 | E408 | E406-E408 PolarHBondContact O-N 3.14Š|
| 407 | D | 82.6 | Confident | 84 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 63% | 0.631 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 14.1 | 175 | 69.4 | -8.8 | 0 | 0 | 0 | 113.5 | H405 S409 | H405-D407 WeakPolarHBondContact CB-OD1 3.17Å; H405-D407 PolarHBondContact O-N 3.03Å; D407-S409 PolarHBondContact O-N 3.41Å; D407-S409 VanDerWaalsContact O-N 3.1Å; D407-S409 WeakPolarHBondContact OD1-CB 3.26Å; D407-S409 PolarHBondContact OD1-N 3.5Å; D407-S409 PolarHBondContact OD1-OG 2.9Å; D407-S409 PolarHBondContact OD2-OG 3.36Å |
| 408 | E | 78.5 | Confident | 83.8 | Confident | 152 Ų | 152 | 60.9 Ų | 60.9 | 71% | 0.71 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 60.7 | 11.9 | -176.6 | -56.1 | -179.3 | 174.6 | 0 | 0 | 114.3 | W404 H405 E406 | W404-E408 HydrophobicContact CH2-CB 4.36Å; W404-E408 HydrophobicContact CZ2-CB 3.78Å; W404-E408 HydrophobicContact CZ2-CG 4.11Å; H405-E408 PolarHBondContact O-N 2.93Å; E406-E408 PolarHBondContact O-N 3.14Å |
| 409 | S | 83.3 | Confident | 83.7 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | trans | -76.6 | 146.3 | 169.6 | 73.7 | 0 | 0 | 0 | 0 | 110.8 | H405 D407 | H405-S409 WeakPolarHBondContact CB-OG 3.31Å; H405-S409 PolarHBondContact CD2-OG 3.26Å; H405-S409 PolarHBondContact N-O 3.39Å; D407-S409 PolarHBondContact O-N 3.41Å; D407-S409 VanDerWaalsContact O-N 3.1Å; D407-S409 WeakPolarHBondContact OD1-CB 3.26Å; D407-S409 PolarHBondContact OD1-N 3.5Å; D407-S409 PolarHBondContact OD1-OG 2.9Å; D407-S409 PolarHBondContact OD2-OG 3.36Å | ||
| 410 | R | 83.8 | Confident | 84 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 41% | 0.411 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.4 | 176.1 | 70.1 | -178.9 | -177 | 179.2 | 2.3 | 111 | Y313 W402 L403 W404 | Y313-R410 PolarHBondContact OH-NH1 2.88Å; W402-R410 HydrophobicContact CE3-CB 4.38Å; W402-R410 HydrophobicContact CE3-CG 4.15Å; W402-R410 HydrophobicContact CZ3-CG 4.42Å; L403-R410 WeakPolarHBondContact O-CA 3.43Å; W404-R410 HydrophobicContact CE3-CB 3.97Å; W404-R410 HydrophobicContact CZ3-CB 4.13Å |
| 411 | E | 83.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 61.6 Ų | 61.6 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.4 | 177.3 | -160.8 | -172.7 | 150.7 | 0 | 0 | 110.6 | W402 L403 H405 V413 K595 | W402-E411 CarbonylContact C-O 3.59Å; W402-E411 WeakPolarHBondContact CA-O 3.26Å; L403-E411 PolarHBondContact N-O 3.45Å; L403-E411 PolarHBondContact O-N 3.35Å; H405-E411 IonicContact NE2-OE2 3.92Å; E411-V413 PolarHBondContact O-N 2.95Å; E411-K595 IonicContact OE1-NZ 3.7Å; E411-K595 PolarHBondContact OE1-NZ 2.91Å; E411-K595 VanDerWaalsContact OE2-CE 3.24Å; E411-K595 WeakPolarHBondContact OE2-CE 3.25Å; E411-K595 IonicContact OE2-NZ 3.54Å; E411-K595 PolarHBondContact OE2-NZ 2.84Å |
| 412 | R | 82.2 | Confident | 84.8 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 22% | 0.219 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 118.7 | 177.8 | -176.3 | 173.3 | 163.2 | -167.6 | 0.2 | 109.7 | I400 W402 S415 D485 E488 | I400-R412 HydrophobicContact CG2-CG 4.24Å; W402-R412 HydrophobicContact CE3-CB 3.96Å; W402-R412 HydrophobicContact CH2-CB 4.16Å; W402-R412 HydrophobicContact CZ3-CB 3.69Å; R412-S415 VanDerWaalsContact NH2-CB 3.26Å; R412-D485 PolarHBondContact NH1-O 3.19Å; R412-E488 PolarHBondContact NH2-O 2.99Å |
| 413 | V | 79.4 | Confident | 85.2 | Confident | 16 Ų | 16 | 65 Ų | 65 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -52.2 | 177.9 | 177 | 0 | 0 | 0 | 0 | 110.1 | T401 L403 E411 M587 K595 L597 | T401-V413 HydrophobicContact CG2-CB 4.2Å; T401-V413 HydrophobicContact CG2-CG2 4.5Å; T401-V413 PolarHBondContact O-N 3.25Å; L403-V413 HydrophobicContact CB-CG2 3.57Å; E411-V413 PolarHBondContact O-N 2.95Å; V413-M587 HydrophobicContact CG2-CE 4.35Å; V413-K595 HydrophobicContact CG1-CB 4.04Å; V413-K595 HydrophobicContact CG2-CD 4.36Å; V413-L597 HydrophobicContact CG1-CB 4.24Å |
| 414 | Y | 75.3 | Confident | 85.7 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 154 | -173.9 | -175.2 | -121.8 | 0 | 0 | 0 | 110.7 | T401 N416 | T401-Y414 PolarHBondContact N-O 2.84Å; Y414-N416 HydrophobicContact CD1-CB 4.14Å; Y414-N416 HydrophobicContact CE1-CB 3.56Å |
| 415 | S | 79.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 123.2 | 170.5 | 169.8 | 0 | 0 | 0 | 0 | 108.2 | Y399 R412 | Y399-S415 WeakPolarHBondContact O-CA 3.44Å; R412-S415 VanDerWaalsContact NH2-CB 3.26Å |
| 416 | N | 81.6 | Confident | 86.8 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 107.1 | 179.4 | -165.6 | -23.8 | 0 | 0 | 0 | 110 | Y399 Y414 K418 K419 | Y399-N416 PolarHBondContact N-O 2.99Å; Y399-N416 PolarHBondContact O-N 3.49Å; Y414-N416 HydrophobicContact CD1-CB 4.14Å; Y414-N416 HydrophobicContact CE1-CB 3.56Å; N416-K418 PolarHBondContact O-N 2.89Å; N416-K418 PolarHBondContact OD1-N 3.16Å; N416-K419 HydrophobicContact CB-CB 4.07Å; N416-K419 PolarHBondContact OD1-N 2.82Å |
| 417 | T | 85.9 | Confident | 87.7 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -0.5 | -177.9 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | D398 R451 | D398-T417 WeakPolarHBondContact OD1-CA 3.21Å; D398-T417 WeakPolarHBondContact OD1-CB 3.46Å; D398-T417 WeakPolarHBondContact OD1-CG2 3.2Å; T417-R451 VanDerWaalsContact CB-CZ 3.48Å; T417-R451 PolarHBondContact O-NH2 2.81Å; T417-R451 PolarHBondContact OG1-NH2 2.95Å; T417-R451 VanDerWaalsContact OG1-NH2 3.15Å |
| 418 | K | 87.4 | Confident | 88.4 | Confident | 97 Ų | 97 | 44.3 Ų | 44.3 | 42% | 0.422 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 5.1 | -171.4 | -51.6 | -175.9 | 177.5 | -168.9 | 0 | 113.3 | N416 R422 E445 | N416-K418 PolarHBondContact O-N 2.89Å; N416-K418 PolarHBondContact OD1-N 3.16Å; K418-R422 WeakPolarHBondContact O-CD 3.46Å; K418-E445 HydrophobicContact CB-CB 4.36Å; K418-E445 HydrophobicContact CB-CG 4.31Å; K418-E445 HydrophobicContact CD-CB 4.13Å; K418-E445 HydrophobicContact CG-CB 4.19Å |
| 419 | K | 87.6 | Confident | 89.2 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -80.4 | -41.4 | -172.6 | -164.2 | 176.8 | -176.2 | -179.1 | 0 | 112 | N299 M329 Y399 N416 R422 E599 | N299-K419 VanDerWaalsContact CB-O 3.22Å; N299-K419 WeakPolarHBondContact CB-O 3.2Å; N299-K419 PolarHBondContact ND2-O 3.27Å; M329-K419 HydrophobicContact CE-CD 4.35Å; M329-K419 HydrophobicContact SD-CD 3.88Å; M329-K419 HydrophobicContact SD-CG 4.13Å; Y399-K419 HydrophobicContact CD1-CD 3.64Å; Y399-K419 HydrophobicContact CE1-CD 4.04Å; Y399-K419 VanDerWaalsContact CE1-NZ 3.28Å; Y399-K419 HydrophobicContact CG-CD 3.96Å; N416-K419 HydrophobicContact CB-CB 4.07Å; N416-K419 PolarHBondContact OD1-N 2.82Å; K419-R422 VanDerWaalsContact O-CG 3.23Å; K419-R422 WeakPolarHBondContact O-CG 3.41Å; K419-E599 IonicContact NZ-OE2 3.89Å; K419-E599 PolarHBondContact NZ-OE2 2.84Å |
| 420 | I | 92.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -79.1 | 150.4 | -173.5 | -61.4 | -57.4 | 0 | 0 | 0 | 110.7 | N299 A301 M329 E394 A397 Y399 K442 | N299-I420 VanDerWaalsContact O-CA 3.31Å; N299-I420 WeakPolarHBondContact O-CA 3.32Å; N299-I420 WeakPolarHBondContact O-CD1 3.38Å; N299-I420 WeakPolarHBondContact O-CG2 3.41Å; A301-I420 HydrophobicContact CB-CD1 4.1Å; A301-I420 HydrophobicContact CB-CG1 4.26Å; A301-I420 HydrophobicContact CB-CG2 3.65Å; M329-I420 HydrophobicContact CB-CD1 4.18Å; M329-I420 HydrophobicContact CG-CD1 3.56Å; M329-I420 HydrophobicContact SD-CD1 3.67Å; E394-I420 WeakPolarHBondContact O-CG2 3.49Å; A397-I420 HydrophobicContact CB-CG2 4.43Å; A397-I420 VanDerWaalsContact O-CB 3.32Å; A397-I420 WeakPolarHBondContact O-CB 3.39Å; A397-I420 WeakPolarHBondContact O-CG1 3.47Å; Y399-I420 HydrophobicContact CD2-CD1 4.15Å; I420-K442 PolarHBondContact O-NZ 3.22Å |
| 421 | G | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 70.6 | 57.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N297 N299 V395 K442 | N297-G421 WeakPolarHBondContact OD1-CA 3.28Å; N299-G421 PolarHBondContact O-N 2.81Å; N299-G421 VanDerWaalsContact O-N 3.13Å; V395-G421 WeakPolarHBondContact O-CA 3.23Å; G421-K442 WeakPolarHBondContact O-CE 3.46Å; G421-K442 PolarHBondContact O-NZ 2.94Å |
| 422 | R | 94.4 | Very high | 90 | Very high | 75 Ų | 75 | 37.2 Ų | 37.2 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.4 | -172.9 | -60.5 | -66.9 | -68.8 | 169.4 | 2.9 | 110.9 | E169 N297 F298 K418 K419 I424 | E169-R422 HydrophobicContact CG-CB 3.91Å; E169-R422 IonicContact OE1-CZ 3.62Å; E169-R422 IonicContact OE1-NE 3.66Å; E169-R422 PolarHBondContact OE1-NE 3.32Å; E169-R422 IonicContact OE1-NH2 3.89Å; N297-R422 PolarHBondContact OD1-N 2.67Å; F298-R422 WeakPolarHBondContact CA-O 3.14Å; F298-R422 VanDerWaalsContact CB-O 3.27Å; F298-R422 WeakPolarHBondContact CB-O 3.48Å; F298-R422 PolarHBondContact N-O 2.87Å; F298-R422 PolarHBondContact O-N 3.05Å; K418-R422 WeakPolarHBondContact O-CD 3.46Å; K419-R422 VanDerWaalsContact O-CG 3.23Å; K419-R422 WeakPolarHBondContact O-CG 3.41Å; R422-I424 PolarHBondContact O-N 3.29Å; R422-I424 VanDerWaalsContact O-N 3.07Å |
| 423 | C | 96.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 18% | 0.176 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.7 | 42.6 | 173.5 | -62 | 0 | 0 | 0 | 0 | 112.9 | I172 F298 S425 D436 T438 | I172-C423 HydrophobicContact CD1-CB 3.89Å; F298-C423 HydrophobicContact CD2-CB 3.95Å; F298-C423 VanDerWaalsContact CD2-O 3.28Å; F298-C423 WeakPolarHBondContact CD2-O 3.41Å; C423-S425 WeakPolarHBondContact O-CB 3.48Å; C423-S425 PolarHBondContact O-N 2.78Å; C423-S425 PolarHBondContact O-OG 2.82Å; C423-D436 WeakPolarHBondContact CA-OD2 3.34Å; C423-T438 PolarHBondContact N-OG1 3.44Å |
| 424 | I | 98.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 117.4 | 177.1 | -55.1 | 175.7 | 0 | 0 | 0 | 107.1 | V295 S296 N297 V395 R422 D436 I437 T438 Y441 | V295-I424 HydrophobicContact CG1-CG2 3.35Å; S296-I424 CarbonylContact O-C 3.54Å; S296-I424 VanDerWaalsContact O-CA 3.31Å; S296-I424 WeakPolarHBondContact O-CA 3.41Å; N297-I424 HydrophobicContact CB-CG1 4.38Å; N297-I424 WeakPolarHBondContact OD1-CG1 3.43Å; V395-I424 HydrophobicContact CB-CD1 4.25Å; V395-I424 HydrophobicContact CG1-CD1 3.66Å; R422-I424 PolarHBondContact O-N 3.29Å; R422-I424 VanDerWaalsContact O-N 3.07Å; I424-D436 WeakPolarHBondContact O-CA 3.45Å; I424-I437 HydrophobicContact CB-CG1 4.32Å; I424-I437 HydrophobicContact CG2-CD1 4.21Å; I424-I437 HydrophobicContact CG2-CG1 3.83Å; I424-I437 WeakPolarHBondContact O-CG1 3.41Å; I424-I437 PolarHBondContact O-N 3.13Å; I424-T438 HydrophobicContact CD1-CG2 4.5Å; I424-T438 PolarHBondContact N-OG1 3.4Å; I424-Y441 HydrophobicContact CD1-CD1 4.29Å; I424-Y441 HydrophobicContact CD1-CD2 3.94Å; I424-Y441 HydrophobicContact CD1-CG 3.7Å; I424-Y441 HydrophobicContact CG2-CD2 4.02Å; I424-Y441 HydrophobicContact CG2-CE2 3.94Å |
| 425 | S | 98.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.6 | -163.1 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | V295 S296 C423 R434 V435 | V295-S425 CarbonylContact C-O 3.51Å; V295-S425 WeakPolarHBondContact CA-O 3.45Å; S296-S425 PolarHBondContact N-O 3.32Å; S296-S425 PolarHBondContact O-N 2.79Å; C423-S425 WeakPolarHBondContact O-CB 3.48Å; C423-S425 PolarHBondContact O-N 2.78Å; C423-S425 PolarHBondContact O-OG 2.82Å; S425-R434 WeakPolarHBondContact OG-CD 3.31Å; S425-R434 PolarHBondContact OG-NH1 3.3Å; S425-V435 VanDerWaalsContact CA-O 3.31Å; S425-V435 WeakPolarHBondContact CA-O 3.34Å |
| 426 | T | 98.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 164.8 | 169.1 | -165.6 | 0 | 0 | 0 | 0 | 110.6 | F165 V294 V435 I437 | F165-T426 WeakPolarHBondContact CE2-O 3.32Å; V294-T426 WeakPolarHBondContact O-CB 3.32Å; V294-T426 PolarHBondContact O-OG1 3.5Å; T426-V435 HydrophobicContact CG2-CB 4.35Å; T426-V435 PolarHBondContact N-O 2.78Å; T426-V435 PolarHBondContact O-N 2.95Å; T426-I437 HydrophobicContact CG2-CD1 4.15Å; T426-I437 HydrophobicContact CG2-CG2 4.08Å |
| 427 | K | 97.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 138.6 | 177.2 | -178.4 | -177 | 169.9 | -64.6 | 0 | 109.6 | E155 I163 S431 | E155-K427 WeakPolarHBondContact OE1-CD 3.48Å; E155-K427 IonicContact OE1-NZ 3.17Å; E155-K427 PolarHBondContact OE1-NZ 2.67Å; E155-K427 IonicContact OE2-NZ 3.31Å; E155-K427 PolarHBondContact OE2-NZ 2.94Å; I163-K427 HydrophobicContact CB-CB 4.38Å; I163-K427 HydrophobicContact CB-CD 4.01Å; I163-K427 HydrophobicContact CB-CG 4.25Å; I163-K427 HydrophobicContact CD1-CD 4.18Å; I163-K427 HydrophobicContact CD1-CG 4.41Å; I163-K427 HydrophobicContact CG1-CD 4.02Å; K427-S431 VanDerWaalsContact CE-O 3.31Å; K427-S431 WeakPolarHBondContact CE-O 3.34Å; K427-S431 PolarHBondContact NZ-O 3.39Å |
| 428 | A | 97 | Very high | 94.7 | Very high | 8 Ų | 8 | 39 Ų | 39 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 148.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G430 S431 S433 V435 | A428-G430 PolarHBondContact O-N 3.08Å; A428-S431 VanDerWaalsContact CB-OG 3.25Å; A428-S431 WeakPolarHBondContact CB-OG 3.26Å; A428-S431 PolarHBondContact O-N 2.96Å; A428-S433 WeakPolarHBondContact CB-O 3.25Å; A428-S433 VanDerWaalsContact CB-OG 3.24Å; A428-S433 WeakPolarHBondContact CB-OG 3.36Å; A428-S433 PolarHBondContact N-O 3.08Å; A428-V435 HydrophobicContact CB-CG2 3.55Å |
| 429 | V | 96.4 | Very high | 95.2 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 124 | 169.6 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | E151 E152 E155 Y156 S431 | E151-V429 HydrophobicContact CB-CG1 3.86Å; E151-V429 WeakPolarHBondContact O-CG1 3.12Å; E152-V429 HydrophobicContact CG-CG2 4.13Å; E155-V429 HydrophobicContact CB-CB 4.44Å; E155-V429 HydrophobicContact CB-CG1 4.06Å; E155-V429 HydrophobicContact CB-CG2 4.4Å; E155-V429 HydrophobicContact CG-CG2 4.41Å; Y156-V429 HydrophobicContact CE1-CG2 4.4Å; Y156-V429 HydrophobicContact CE2-CG2 4.06Å; Y156-V429 VanDerWaalsContact OH-CG2 3.25Å; Y156-V429 WeakPolarHBondContact OH-CG2 3.47Å; V429-S431 PolarHBondContact O-N 2.84Å; V429-S431 VanDerWaalsContact O-N 3.14Å |
| 430 | G | 89.2 | Confident | 95.7 | Very high | 73 Ų | 73 | 39.8 Ų | 39.8 | 75% | 0.753 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | 4.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | E155 A428 | E155-G430 PolarHBondContact OE2-N 2.93Å; A428-G430 PolarHBondContact O-N 3.08Å |
| 431 | S | 89.8 | Confident | 96 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -145 | 171.1 | 174.4 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | K427 A428 V429 S433 | K427-S431 VanDerWaalsContact CE-O 3.31Å; K427-S431 WeakPolarHBondContact CE-O 3.34Å; K427-S431 PolarHBondContact NZ-O 3.39Å; A428-S431 VanDerWaalsContact CB-OG 3.25Å; A428-S431 WeakPolarHBondContact CB-OG 3.26Å; A428-S431 PolarHBondContact O-N 2.96Å; V429-S431 PolarHBondContact O-N 2.84Å; V429-S431 VanDerWaalsContact O-N 3.14Å; S431-S433 VanDerWaalsContact C-N 3.29Å; S431-S433 PolarHBondContact OG-OG 3.35Å |
| 432 | D | 88.2 | Confident | 96.1 | Very high | 70 Ų | 70 | 40 Ų | 40 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -90.3 | 3.9 | -179.8 | -60.2 | -29.2 | 0 | 0 | 0 | 113.4 | I163 I699 | I163-D432 VanDerWaalsContact CD1-CA 3.49Å; I163-D432 HydrophobicContact CD1-CB 3.4Å; I163-D432 VanDerWaalsContact CD1-CB 3.4Å; D432-I699 WeakPolarHBondContact OD1-CG1 3.03Å; D432-I699 WeakPolarHBondContact OD2-CG1 3.35Å |
| 433 | S | 93.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -73.9 | 154.5 | -176.8 | 66.5 | 0 | 0 | 0 | 0 | 112 | A428 S431 | A428-S433 WeakPolarHBondContact CB-O 3.25Å; A428-S433 VanDerWaalsContact CB-OG 3.24Å; A428-S433 WeakPolarHBondContact CB-OG 3.36Å; A428-S433 PolarHBondContact N-O 3.08Å; S431-S433 VanDerWaalsContact C-N 3.29Å; S431-S433 PolarHBondContact OG-OG 3.35Å |
| 434 | R | 96.2 | Very high | 96.2 | Very high | 98 Ų | 98 | 41.7 Ų | 41.7 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 127.6 | 175.2 | -169.8 | -172.8 | 72.6 | 84.9 | 2.3 | 110 | F165 S425 D436 | F165-R434 HydrophobicContact CD1-CB 4.26Å; F165-R434 HydrophobicContact CD1-CG 4Å; F165-R434 HydrophobicContact CD2-CG 4.15Å; F165-R434 HydrophobicContact CE1-CB 3.55Å; F165-R434 HydrophobicContact CE1-CG 3.78Å; F165-R434 HydrophobicContact CE2-CB 4.15Å; F165-R434 HydrophobicContact CE2-CG 3.94Å; F165-R434 HydrophobicContact CG-CG 4.19Å; F165-R434 VanDerWaalsContact CZ-CA 3.43Å; F165-R434 HydrophobicContact CZ-CB 3.5Å; F165-R434 HydrophobicContact CZ-CG 3.75Å; S425-R434 WeakPolarHBondContact OG-CD 3.31Å; S425-R434 PolarHBondContact OG-NH1 3.3Å; R434-D436 IonicContact CZ-OD2 3.2Å; R434-D436 IonicContact NH1-OD2 3.89Å; R434-D436 PolarHBondContact NH1-OD2 2.99Å; R434-D436 IonicContact NH2-OD2 2.87Å |
| 435 | V | 97.9 | Very high | 95.9 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.1 | 166.1 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | S425 T426 A428 I437 | S425-V435 VanDerWaalsContact CA-O 3.31Å; S425-V435 WeakPolarHBondContact CA-O 3.34Å; T426-V435 HydrophobicContact CG2-CB 4.35Å; T426-V435 PolarHBondContact N-O 2.78Å; T426-V435 PolarHBondContact O-N 2.95Å; A428-V435 HydrophobicContact CB-CG2 3.55Å; V435-I437 HydrophobicContact CG1-CG2 3.94Å |
| 436 | D | 97.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 46 Ų | 46 | 32% | 0.316 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.5 | 170.9 | -155.2 | -55.6 | 0 | 0 | 0 | 109.2 | C423 I424 R434 T438 | C423-D436 WeakPolarHBondContact CA-OD2 3.34Å; I424-D436 WeakPolarHBondContact O-CA 3.45Å; R434-D436 IonicContact CZ-OD2 3.2Å; R434-D436 IonicContact NH1-OD2 3.89Å; R434-D436 PolarHBondContact NH1-OD2 2.99Å; R434-D436 IonicContact NH2-OD2 2.87Å; D436-T438 WeakPolarHBondContact OD1-CB 3.46Å; D436-T438 PolarHBondContact OD1-N 3.26Å; D436-T438 VanDerWaalsContact OD1-N 3.11Å; D436-T438 PolarHBondContact OD1-OG1 3.03Å |
| 437 | I | 98.4 | Very high | 95 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | trans | -120.3 | 20.5 | -177.8 | 59.9 | 170.1 | 0 | 0 | 0 | 111.6 | V295 I424 T426 V435 D439 L440 Y441 | V295-I437 HydrophobicContact CG1-CD1 4.08Å; V295-I437 HydrophobicContact CG2-CD1 3.94Å; I424-I437 HydrophobicContact CB-CG1 4.32Å; I424-I437 HydrophobicContact CG2-CD1 4.21Å; I424-I437 HydrophobicContact CG2-CG1 3.83Å; I424-I437 WeakPolarHBondContact O-CG1 3.41Å; I424-I437 PolarHBondContact O-N 3.13Å; T426-I437 HydrophobicContact CG2-CD1 4.15Å; T426-I437 HydrophobicContact CG2-CG2 4.08Å; V435-I437 HydrophobicContact CG1-CG2 3.94Å; I437-D439 PolarHBondContact O-N 2.71Å; I437-L440 HydrophobicContact CB-CD1 3.91Å; I437-L440 HydrophobicContact CB-CG 4.15Å; I437-L440 HydrophobicContact CG2-CD1 4.07Å; I437-L440 VanDerWaalsContact O-CB 3.31Å; I437-L440 WeakPolarHBondContact O-CB 3.36Å; I437-L440 PolarHBondContact O-N 2.74Å; I437-Y441 HydrophobicContact CD1-CE2 4.12Å | ||
| 438 | T | 98.1 | Very high | 94.8 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.8 | -34.6 | -176.8 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | C423 I424 D436 L440 Y441 K442 | C423-T438 PolarHBondContact N-OG1 3.44Å; I424-T438 HydrophobicContact CD1-CG2 4.5Å; I424-T438 PolarHBondContact N-OG1 3.4Å; D436-T438 WeakPolarHBondContact OD1-CB 3.46Å; D436-T438 PolarHBondContact OD1-N 3.26Å; D436-T438 VanDerWaalsContact OD1-N 3.11Å; D436-T438 PolarHBondContact OD1-OG1 3.03Å; T438-L440 PolarHBondContact O-N 2.96Å; T438-Y441 PolarHBondContact O-N 3.33Å; T438-Y441 VanDerWaalsContact O-N 3.14Å; T438-K442 HydrophobicContact CG2-CG 4.26Å; T438-K442 PolarHBondContact O-N 3.42Å; T438-K442 VanDerWaalsContact O-N 3.07Å |
| 439 | D | 97.8 | Very high | 94.7 | Very high | 92 Ų | 92 | 60 Ų | 60 | 49% | 0.492 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.2 | -19.7 | 177.6 | 67 | -44.6 | 0 | 0 | 0 | 113.5 | R378 I437 K442 | R378-D439 PolarHBondContact NE-O 2.8Å; I437-D439 PolarHBondContact O-N 2.71Å; D439-K442 WeakPolarHBondContact CA-O 3.49Å |
| 440 | L | 98.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.3 | -28.2 | 171.7 | -56.4 | -171.4 | 0 | 0 | 0 | 112.2 | V374 R378 I437 T438 | V374-L440 HydrophobicContact CG1-CB 4.13Å; V374-L440 VanDerWaalsContact CG1-O 3.32Å; V374-L440 WeakPolarHBondContact CG1-O 3.38Å; R378-L440 WeakPolarHBondContact CB-O 3.49Å; R378-L440 WeakPolarHBondContact CD-O 3.43Å; I437-L440 HydrophobicContact CB-CD1 3.91Å; I437-L440 HydrophobicContact CB-CG 4.15Å; I437-L440 HydrophobicContact CG2-CD1 4.07Å; I437-L440 VanDerWaalsContact O-CB 3.31Å; I437-L440 WeakPolarHBondContact O-CB 3.36Å; I437-L440 PolarHBondContact O-N 2.74Å; T438-L440 PolarHBondContact O-N 2.96Å |
| 441 | Y | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -94.4 | -30.1 | -178.4 | -82 | -99.9 | 0 | 0 | 0 | 113.7 | W335 E337 V354 V374 I377 R378 V395 I424 I437 T438 | W335-Y441 AromaticContact CZ2-CE1 3.71Å; W335-Y441 HydrophobicContact CZ2-CE1 3.71Å; W335-Y441 AromaticContact CZ2-CZ 3.85Å; W335-Y441 AromaticContact NE1-CZ 3.91Å; W335-Y441 PolarHBondContact NE1-OH 3.38Å; E337-Y441 WeakPolarHBondContact CG-OH 3.25Å; E337-Y441 WeakPolarHBondContact OE1-CE2 3.48Å; E337-Y441 PolarHBondContact OE1-OH 3.41Å; V354-Y441 HydrophobicContact CG2-CE1 3.78Å; V354-Y441 WeakPolarHBondContact CG2-OH 3.27Å; V374-Y441 HydrophobicContact CG1-CD2 4.19Å; V374-Y441 HydrophobicContact CG1-CE2 4.15Å; V374-Y441 HydrophobicContact CG1-CG 4.44Å; V374-Y441 HydrophobicContact CG2-CE1 4.41Å; V374-Y441 HydrophobicContact CG2-CE2 4.41Å; I377-Y441 HydrophobicContact CG2-CD1 4.23Å; R378-Y441 WeakPolarHBondContact CA-O 3.46Å; V395-Y441 HydrophobicContact CG1-CD1 4.04Å; V395-Y441 HydrophobicContact CG2-CD1 4.34Å; I424-Y441 HydrophobicContact CD1-CD1 4.29Å; I424-Y441 HydrophobicContact CD1-CD2 3.94Å; I424-Y441 HydrophobicContact CD1-CG 3.7Å; I424-Y441 HydrophobicContact CG2-CD2 4.02Å; I424-Y441 HydrophobicContact CG2-CE2 3.94Å; I437-Y441 HydrophobicContact CD1-CE2 4.12Å; T438-Y441 PolarHBondContact O-N 3.33Å; T438-Y441 VanDerWaalsContact O-N 3.14Å |
| 442 | K | 97.4 | Very high | 95 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -156.6 | 158.8 | -177.6 | 61.4 | 179.1 | 175.8 | -179.4 | 0 | 113.1 | V395 N396 I420 G421 T438 D439 E445 | V395-K442 PolarHBondContact O-NZ 2.88Å; N396-K442 WeakPolarHBondContact OD1-CB 3.49Å; N396-K442 VanDerWaalsContact OD1-CD 3.26Å; N396-K442 WeakPolarHBondContact OD1-CD 3.38Å; I420-K442 PolarHBondContact O-NZ 3.22Å; G421-K442 WeakPolarHBondContact O-CE 3.46Å; G421-K442 PolarHBondContact O-NZ 2.94Å; T438-K442 HydrophobicContact CG2-CG 4.26Å; T438-K442 PolarHBondContact O-N 3.42Å; T438-K442 VanDerWaalsContact O-N 3.07Å; D439-K442 WeakPolarHBondContact CA-O 3.49Å; K442-E445 VanDerWaalsContact CE-OE1 3.26Å; K442-E445 WeakPolarHBondContact CE-OE1 3.45Å; K442-E445 IonicContact NZ-OE1 3.47Å; K442-E445 PolarHBondContact NZ-OE1 3.24Å |
| 443 | Y | 97.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 156.6 | 174.3 | -72.3 | -86.9 | 0 | 0 | 0 | 111.4 | R378 E379 E445 K449 V453 | R378-Y443 HydrophobicContact CG-CD2 4.39Å; R378-Y443 HydrophobicContact CG-CE2 4.05Å; R378-Y443 WeakPolarHBondContact O-CE2 3.36Å; E379-Y443 WeakPolarHBondContact OE1-CE2 3.33Å; E379-Y443 VanDerWaalsContact OE1-CZ 3.3Å; E379-Y443 PolarHBondContact OE1-OH 2.9Å; E379-Y443 PolarHBondContact OE2-OH 2.79Å; Y443-E445 PolarHBondContact O-N 2.87Å; Y443-K449 HydrophobicContact CD1-CB 4.14Å; Y443-K449 HydrophobicContact CD1-CG 3.49Å; Y443-K449 VanDerWaalsContact CD1-CG 3.49Å; Y443-K449 HydrophobicContact CD2-CG 3.83Å; Y443-K449 HydrophobicContact CE1-CD 4.39Å; Y443-K449 HydrophobicContact CE1-CG 3.51Å; Y443-K449 HydrophobicContact CE2-CD 4.39Å; Y443-K449 HydrophobicContact CE2-CG 3.86Å; Y443-K449 HydrophobicContact CG-CB 4.25Å; Y443-K449 HydrophobicContact CG-CG 3.63Å; Y443-K449 WeakPolarHBondContact OH-CE 3.26Å; Y443-V453 HydrophobicContact CD2-CG2 3.9Å; Y443-V453 HydrophobicContact CE2-CG2 3.86Å |
| 444 | P | 95.6 | Very high | 95.4 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 134.6 | -177.7 | -27.7 | 35.5 | 0 | 0 | 0 | 113.4 | G446 S447 | P444-G446 PolarHBondContact O-N 2.74Å; P444-S447 WeakPolarHBondContact O-CB 2.83Å; P444-S447 PolarHBondContact O-N 2.93Å; P444-S447 PolarHBondContact O-OG 3.43Å |
| 445 | E | 90.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 123.1 | -176.7 | -70.1 | -65.6 | 174.4 | 0 | 0 | 113.5 | K418 K442 Y443 S447 | K418-E445 HydrophobicContact CB-CB 4.36Å; K418-E445 HydrophobicContact CB-CG 4.31Å; K418-E445 HydrophobicContact CD-CB 4.13Å; K418-E445 HydrophobicContact CG-CB 4.19Å; K442-E445 VanDerWaalsContact CE-OE1 3.26Å; K442-E445 WeakPolarHBondContact CE-OE1 3.45Å; K442-E445 IonicContact NZ-OE1 3.47Å; K442-E445 PolarHBondContact NZ-OE1 3.24Å; Y443-E445 PolarHBondContact O-N 2.87Å; E445-S447 VanDerWaalsContact C-N 3.33Å |
| 446 | G | 86.9 | Confident | 95 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 4.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P444 E450 | P444-G446 PolarHBondContact O-N 2.74Å; G446-E450 PolarHBondContact N-OE2 3.3Å |
| 447 | S | 92.6 | Very high | 94.7 | Very high | 36 Ų | 36 | 50 Ų | 50 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | trans | -73.7 | 153.6 | 166.8 | 72.3 | 0 | 0 | 0 | 0 | 111.1 | P444 E445 K449 E450 R451 | P444-S447 WeakPolarHBondContact O-CB 2.83Å; P444-S447 PolarHBondContact O-N 2.93Å; P444-S447 PolarHBondContact O-OG 3.43Å; E445-S447 VanDerWaalsContact C-N 3.33Å; S447-K449 VanDerWaalsContact C-N 3.26Å; S447-K449 PolarHBondContact O-N 3.1Å; S447-E450 PolarHBondContact O-N 2.65Å; S447-E450 VanDerWaalsContact OG-CB 3.23Å; S447-E450 WeakPolarHBondContact OG-CB 3.5Å; S447-E450 PolarHBondContact OG-N 3.48Å; S447-R451 PolarHBondContact O-N 3.45Å | ||
| 448 | R | 92.9 | Very high | 94.2 | Very high | 207 Ų | 207 | 50.6 Ų | 50.6 | 78% | 0.781 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62 | -36.2 | 176.9 | -173.7 | 179.3 | 179.5 | -170.7 | -0.7 | 112.1 | Q452 | R448-Q452 VanDerWaalsContact O-CG 3.27Å; R448-Q452 WeakPolarHBondContact O-CG 3.22Å; R448-Q452 PolarHBondContact O-N 3.04Å; R448-Q452 VanDerWaalsContact O-N 3.11Å |
| 449 | K | 94.8 | Very high | 93.8 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.7 | -39.8 | -177.5 | -178.9 | 65.4 | 178.7 | 178.6 | 0 | 111.5 | E379 Y443 S447 Q452 V453 | E379-K449 IonicContact OE2-NZ 3.43Å; E379-K449 PolarHBondContact OE2-NZ 2.83Å; Y443-K449 HydrophobicContact CD1-CB 4.14Å; Y443-K449 HydrophobicContact CD1-CG 3.49Å; Y443-K449 VanDerWaalsContact CD1-CG 3.49Å; Y443-K449 HydrophobicContact CD2-CG 3.83Å; Y443-K449 HydrophobicContact CE1-CD 4.39Å; Y443-K449 HydrophobicContact CE1-CG 3.51Å; Y443-K449 HydrophobicContact CE2-CD 4.39Å; Y443-K449 HydrophobicContact CE2-CG 3.86Å; Y443-K449 HydrophobicContact CG-CB 4.25Å; Y443-K449 HydrophobicContact CG-CG 3.63Å; Y443-K449 WeakPolarHBondContact OH-CE 3.26Å; S447-K449 VanDerWaalsContact C-N 3.26Å; S447-K449 PolarHBondContact O-N 3.1Å; K449-Q452 WeakPolarHBondContact O-CB 3.21Å; K449-Q452 PolarHBondContact O-N 2.95Å; K449-V453 HydrophobicContact CD-CG2 4.44Å; K449-V453 WeakPolarHBondContact O-CG2 3.5Å; K449-V453 PolarHBondContact O-N 3.42Å |
| 450 | E | 94.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.8 | -53 | 174.2 | 176.1 | -83.5 | 138 | 0 | 0 | 111.5 | G446 S447 Q452 V453 Y454 | G446-E450 PolarHBondContact N-OE2 3.3Å; S447-E450 PolarHBondContact O-N 2.65Å; S447-E450 VanDerWaalsContact OG-CB 3.23Å; S447-E450 WeakPolarHBondContact OG-CB 3.5Å; S447-E450 PolarHBondContact OG-N 3.48Å; E450-Q452 VanDerWaalsContact C-N 3.32Å; E450-Q452 PolarHBondContact O-N 2.94Å; E450-V453 PolarHBondContact O-N 3.07Å; E450-Y454 PolarHBondContact O-N 3.26Å |
| 451 | R | 93.2 | Very high | 92.5 | Very high | 66 Ų | 66 | 54.4 Ų | 54.4 | 25% | 0.249 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -32.1 | 176 | -70.6 | -61.8 | 126.3 | -177.5 | 2.7 | 114.5 | D398 T417 S447 S455 | D398-R451 IonicContact OD1-CZ 2.67Å; D398-R451 IonicContact OD1-NH1 3.97Å; D398-R451 PolarHBondContact OD1-NH1 2.89Å; D398-R451 IonicContact OD1-NH2 3.7Å; D398-R451 IonicContact OD2-NH1 3.95Å; T417-R451 VanDerWaalsContact CB-CZ 3.48Å; T417-R451 PolarHBondContact O-NH2 2.81Å; T417-R451 PolarHBondContact OG1-NH2 2.95Å; T417-R451 VanDerWaalsContact OG1-NH2 3.15Å; S447-R451 PolarHBondContact O-N 3.45Å; R451-S455 WeakPolarHBondContact O-CB 3.28Å; R451-S455 PolarHBondContact O-N 3.04Å; R451-S455 PolarHBondContact O-OG 3.12Å |
| 452 | Q | 94.5 | Very high | 91.5 | Very high | 96 Ų | 96 | 58.6 Ų | 58.6 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 174.9 | -77.4 | 172.6 | -11.4 | 0 | 0 | 111.7 | R448 K449 E450 S455 K456 | R448-Q452 VanDerWaalsContact O-CG 3.27Å; R448-Q452 WeakPolarHBondContact O-CG 3.22Å; R448-Q452 PolarHBondContact O-N 3.04Å; R448-Q452 VanDerWaalsContact O-N 3.11Å; K449-Q452 WeakPolarHBondContact O-CB 3.21Å; K449-Q452 PolarHBondContact O-N 2.95Å; E450-Q452 VanDerWaalsContact C-N 3.32Å; E450-Q452 PolarHBondContact O-N 2.94Å; Q452-S455 PolarHBondContact O-N 3.02Å; Q452-K456 WeakPolarHBondContact O-CB 3.42Å; Q452-K456 PolarHBondContact O-N 2.9Å |
| 453 | V | 95.8 | Very high | 90.3 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.5 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | R378 F392 Y443 K449 E450 S455 K456 A457 | R378-V453 WeakPolarHBondContact O-CG1 3.43Å; F392-V453 HydrophobicContact CE2-CG1 3.98Å; F392-V453 HydrophobicContact CZ-CG1 4.12Å; Y443-V453 HydrophobicContact CD2-CG2 3.9Å; Y443-V453 HydrophobicContact CE2-CG2 3.86Å; K449-V453 HydrophobicContact CD-CG2 4.44Å; K449-V453 WeakPolarHBondContact O-CG2 3.5Å; K449-V453 PolarHBondContact O-N 3.42Å; E450-V453 PolarHBondContact O-N 3.07Å; V453-S455 PolarHBondContact O-N 2.9Å; V453-K456 WeakPolarHBondContact O-CB 3.36Å; V453-K456 PolarHBondContact O-N 3.14Å; V453-K456 VanDerWaalsContact O-N 3.11Å; V453-A457 PolarHBondContact O-N 3.46Å |
| 454 | Y | 93 | Very high | 88.7 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 9% | 0.086 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.2 | -49.7 | 175.1 | -175.7 | -94.7 | 0 | 0 | 0 | 111.7 | L308 F392 N396 D398 E450 K456 A457 V458 | L308-Y454 HydrophobicContact CB-CE2 4.08Å; L308-Y454 PolarHBondContact O-OH 3.5Å; F392-Y454 HydrophobicContact CE1-CD2 4.16Å; N396-Y454 HydrophobicContact CB-CD2 4.4Å; N396-Y454 VanDerWaalsContact O-CE2 3.26Å; N396-Y454 WeakPolarHBondContact O-CE2 3.36Å; D398-Y454 VanDerWaalsContact CG-OH 3.25Å; D398-Y454 WeakPolarHBondContact OD2-CE1 3.48Å; D398-Y454 VanDerWaalsContact OD2-CZ 3.29Å; D398-Y454 PolarHBondContact OD2-OH 2.85Å; E450-Y454 PolarHBondContact O-N 3.26Å; Y454-K456 VanDerWaalsContact C-N 3.27Å; Y454-K456 PolarHBondContact O-N 2.99Å; Y454-A457 PolarHBondContact O-N 2.68Å; Y454-A457 VanDerWaalsContact O-N 3.15Å; Y454-V458 HydrophobicContact CD1-CG2 4Å; Y454-V458 HydrophobicContact CE1-CG2 3.74Å; Y454-V458 WeakPolarHBondContact O-CG2 3.19Å; Y454-V458 PolarHBondContact O-N 2.85Å |
| 455 | S | 91.6 | Very high | 87 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | R451 Q452 V453 K459 | R451-S455 WeakPolarHBondContact O-CB 3.28Å; R451-S455 PolarHBondContact O-N 3.04Å; R451-S455 PolarHBondContact O-OG 3.12Å; Q452-S455 PolarHBondContact O-N 3.02Å; V453-S455 PolarHBondContact O-N 2.9Å; S455-K459 WeakPolarHBondContact O-CB 3.31Å; S455-K459 VanDerWaalsContact O-CG 3.23Å; S455-K459 WeakPolarHBondContact O-CG 3.22Å; S455-K459 PolarHBondContact O-N 3.1Å; S455-K459 VanDerWaalsContact O-N 3.14Å |
| 456 | K | 94.2 | Very high | 85.5 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.4 | -48.1 | 174.5 | 174.2 | -171.9 | 168.1 | -164.5 | 0 | 110.4 | E379 D381 Q452 V453 Y454 K459 R460 | E379-K456 WeakPolarHBondContact O-CD 3.39Å; E379-K456 WeakPolarHBondContact O-CE 3.18Å; E379-K456 PolarHBondContact O-NZ 3.44Å; D381-K456 WeakPolarHBondContact OD1-CE 3.43Å; D381-K456 IonicContact OD1-NZ 3.49Å; D381-K456 PolarHBondContact OD1-NZ 2.96Å; D381-K456 IonicContact OD2-NZ 3.84Å; D381-K456 PolarHBondContact OD2-NZ 3.25Å; Q452-K456 WeakPolarHBondContact O-CB 3.42Å; Q452-K456 PolarHBondContact O-N 2.9Å; V453-K456 WeakPolarHBondContact O-CB 3.36Å; V453-K456 PolarHBondContact O-N 3.14Å; V453-K456 VanDerWaalsContact O-N 3.11Å; Y454-K456 VanDerWaalsContact C-N 3.27Å; Y454-K456 PolarHBondContact O-N 2.99Å; K456-K459 PolarHBondContact O-N 2.77Å; K456-R460 VanDerWaalsContact O-CG 3.31Å; K456-R460 WeakPolarHBondContact O-CG 3.5Å; K456-R460 PolarHBondContact O-N 3.17Å |
| 457 | A | 92.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L308 V382 F392 V453 Y454 K459 R460 L461 | L308-A457 HydrophobicContact CD1-CB 3.96Å; V382-A457 HydrophobicContact CG1-CB 3.85Å; V382-A457 HydrophobicContact CG2-CB 4.2Å; F392-A457 HydrophobicContact CD1-CB 3.98Å; F392-A457 HydrophobicContact CE1-CB 3.56Å; F392-A457 HydrophobicContact CE2-CB 4.2Å; F392-A457 HydrophobicContact CG-CB 4.47Å; F392-A457 HydrophobicContact CZ-CB 3.69Å; V453-A457 PolarHBondContact O-N 3.46Å; Y454-A457 PolarHBondContact O-N 2.68Å; Y454-A457 VanDerWaalsContact O-N 3.15Å; A457-K459 VanDerWaalsContact C-N 3.33Å; A457-K459 PolarHBondContact O-N 3.11Å; A457-R460 WeakPolarHBondContact O-CB 3.46Å; A457-R460 PolarHBondContact O-N 3.25Å; A457-L461 WeakPolarHBondContact O-CG 3.17Å; A457-L461 PolarHBondContact O-N 3.37Å |
| 458 | V | 88.6 | Confident | 81.5 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 12% | 0.121 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -53 | -48.4 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | L308 Y454 R460 L461 F462 | L308-V458 HydrophobicContact CB-CG2 4.49Å; L308-V458 HydrophobicContact CD1-CG2 3.71Å; Y454-V458 HydrophobicContact CD1-CG2 4Å; Y454-V458 HydrophobicContact CE1-CG2 3.74Å; Y454-V458 WeakPolarHBondContact O-CG2 3.19Å; Y454-V458 PolarHBondContact O-N 2.85Å; V458-R460 VanDerWaalsContact C-N 3.33Å; V458-R460 PolarHBondContact O-N 3.11Å; V458-L461 PolarHBondContact O-N 3.47Å; V458-F462 HydrophobicContact CG1-CD2 3.7Å; V458-F462 HydrophobicContact CG1-CE2 3.43Å; V458-F462 VanDerWaalsContact CG1-CE2 3.43Å; V458-F462 WeakPolarHBondContact O-CD2 3.3Å; V458-F462 PolarHBondContact O-N 3.14Å; V458-F462 VanDerWaalsContact O-N 3.13Å |
| 459 | K | 88 | Confident | 79 | Confident | 133 Ų | 133 | 68 Ų | 68 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.6 | -38.6 | 178.4 | -75.4 | 172.7 | -176 | -179.3 | 0 | 113 | S455 K456 A457 S463 | S455-K459 WeakPolarHBondContact O-CB 3.31Å; S455-K459 VanDerWaalsContact O-CG 3.23Å; S455-K459 WeakPolarHBondContact O-CG 3.22Å; S455-K459 PolarHBondContact O-N 3.1Å; S455-K459 VanDerWaalsContact O-N 3.14Å; K456-K459 PolarHBondContact O-N 2.77Å; A457-K459 VanDerWaalsContact C-N 3.33Å; A457-K459 PolarHBondContact O-N 3.11Å; K459-S463 WeakPolarHBondContact O-CB 3.14Å; K459-S463 PolarHBondContact O-N 2.88Å; K459-S463 VanDerWaalsContact O-N 3.12Å; K459-S463 PolarHBondContact O-OG 2.68Å |
| 460 | R | 87.2 | Confident | 76.1 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 177.6 | -69.7 | -72.2 | -170.6 | 177.1 | 5.2 | 110.8 | V382 K456 A457 V458 F462 S463 M464 | V382-R460 HydrophobicContact CG2-CB 4.02Å; K456-R460 VanDerWaalsContact O-CG 3.31Å; K456-R460 WeakPolarHBondContact O-CG 3.5Å; K456-R460 PolarHBondContact O-N 3.17Å; A457-R460 WeakPolarHBondContact O-CB 3.46Å; A457-R460 PolarHBondContact O-N 3.25Å; V458-R460 VanDerWaalsContact C-N 3.33Å; V458-R460 PolarHBondContact O-N 3.11Å; R460-F462 PolarHBondContact O-N 3.46Å; R460-S463 WeakPolarHBondContact O-CB 3.32Å; R460-S463 PolarHBondContact O-N 2.85Å; R460-M464 WeakPolarHBondContact O-CG 3.47Å; R460-M464 PolarHBondContact O-N 2.96Å |
| 461 | L | 83.3 | Confident | 73.3 | Confident | 11 Ų | 11 | 81.4 Ų | 81.4 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 178.1 | -66.1 | 176 | 0 | 0 | 0 | 112.6 | L308 V382 P389 A457 V458 S463 M464 K465 | L308-L461 HydrophobicContact CD1-CD1 3.41Å; L308-L461 VanDerWaalsContact CD1-CD1 3.41Å; L308-L461 HydrophobicContact CD2-CD1 3.86Å; L308-L461 HydrophobicContact CG-CD1 3.37Å; V382-L461 HydrophobicContact CG2-CD2 3.86Å; V382-L461 HydrophobicContact CG2-CG 4.02Å; P389-L461 HydrophobicContact CB-CD2 3.45Å; P389-L461 VanDerWaalsContact CB-CD2 3.45Å; P389-L461 HydrophobicContact CG-CD2 3.54Å; A457-L461 WeakPolarHBondContact O-CG 3.17Å; A457-L461 PolarHBondContact O-N 3.37Å; V458-L461 PolarHBondContact O-N 3.47Å; L461-S463 VanDerWaalsContact C-N 3.3Å; L461-S463 PolarHBondContact O-N 2.87Å; L461-M464 PolarHBondContact O-N 2.9Å; L461-K465 WeakPolarHBondContact O-CG 3.36Å; L461-K465 PolarHBondContact O-N 3.29Å |
| 462 | F | 76.3 | Confident | 70.4 | Confident | 89 Ų | 89 | 88 Ų | 88 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 177.3 | -75 | -62.8 | 0 | 0 | 0 | 112.6 | V458 R460 K465 A466 | V458-F462 HydrophobicContact CG1-CD2 3.7Å; V458-F462 HydrophobicContact CG1-CE2 3.43Å; V458-F462 VanDerWaalsContact CG1-CE2 3.43Å; V458-F462 WeakPolarHBondContact O-CD2 3.3Å; V458-F462 PolarHBondContact O-N 3.14Å; V458-F462 VanDerWaalsContact O-N 3.13Å; R460-F462 PolarHBondContact O-N 3.46Å; F462-K465 PolarHBondContact O-N 2.94Å; F462-A466 WeakPolarHBondContact O-CB 3.39Å; F462-A466 PolarHBondContact O-N 2.86Å |
| 463 | S | 72.8 | Confident | 67.2 | Low | 76 Ų | 76 | 90.3 Ų | 90.3 | 53% | 0.531 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 175.9 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | K459 R460 L461 A466 S467 | K459-S463 WeakPolarHBondContact O-CB 3.14Å; K459-S463 PolarHBondContact O-N 2.88Å; K459-S463 VanDerWaalsContact O-N 3.12Å; K459-S463 PolarHBondContact O-OG 2.68Å; R460-S463 WeakPolarHBondContact O-CB 3.32Å; R460-S463 PolarHBondContact O-N 2.85Å; L461-S463 VanDerWaalsContact C-N 3.3Å; L461-S463 PolarHBondContact O-N 2.87Å; S463-A466 PolarHBondContact O-N 3.23Å; S463-S467 PolarHBondContact O-N 3.19Å; S463-S467 PolarHBondContact O-OG 2.88Å |
| 464 | M | 63.9 | Low | 64.1 | Low | 81 Ų | 81 | 101.7 Ų | 101.7 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 174.9 | -67.1 | 168.6 | 83.5 | 0 | 0 | 111.8 | H383 R460 L461 A466 S467 G468 | H383-M464 HydrophobicContact CB-CE 4.09Å; H383-M464 HydrophobicContact CB-SD 3.58Å; H383-M464 VanDerWaalsContact CB-SD 3.58Å; R460-M464 WeakPolarHBondContact O-CG 3.47Å; R460-M464 PolarHBondContact O-N 2.96Å; L461-M464 PolarHBondContact O-N 2.9Å; M464-A466 PolarHBondContact O-N 3.13Å; M464-S467 PolarHBondContact O-N 3.2Å; M464-S467 PolarHBondContact O-OG 3.29Å; M464-S467 VanDerWaalsContact O-OG 3.1Å; M464-G468 PolarHBondContact O-N 3.05Å; M464-G468 VanDerWaalsContact O-N 3.12Å |
| 465 | K | 60.1 | Low | 61 | Low | 82 Ų | 82 | 110.7 Ų | 110.7 | 36% | 0.357 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -30.5 | 174.3 | -74.4 | 177.4 | 171 | 175.8 | 0 | 112.1 | D305 Q306 L461 F462 | D305-K465 PolarHBondContact O-NZ 3.39Å; Q306-K465 PolarHBondContact O-NZ 3.38Å; L461-K465 WeakPolarHBondContact O-CG 3.36Å; L461-K465 PolarHBondContact O-N 3.29Å; F462-K465 PolarHBondContact O-N 2.94Å |
| 466 | A | 58.3 | Low | 58.1 | Low | 75 Ų | 75 | 113.4 Ų | 113.4 | 62% | 0.62 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -77.5 | -37 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F462 S463 M464 | F462-A466 WeakPolarHBondContact O-CB 3.39Å; F462-A466 PolarHBondContact O-N 2.86Å; S463-A466 PolarHBondContact O-N 3.23Å; M464-A466 PolarHBondContact O-N 3.13Å |
| 467 | S | 49.8 | Very low | 55 | Low | 104 Ų | 104 | 114.1 Ų | 114.1 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -76.9 | -23.6 | 178.3 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | S463 M464 | S463-S467 PolarHBondContact O-N 3.19Å; S463-S467 PolarHBondContact O-OG 2.88Å; M464-S467 PolarHBondContact O-N 3.2Å; M464-S467 PolarHBondContact O-OG 3.29Å; M464-S467 VanDerWaalsContact O-OG 3.1Å |
| 468 | G | 45.7 | Very low | 52.1 | Low | 58 Ų | 58 | 117.3 Ų | 117.3 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -3.4 | -179 | 0 | 0 | 0 | 0 | 0 | 116.3 | M464 R470 | M464-G468 PolarHBondContact O-N 3.05Å; M464-G468 VanDerWaalsContact O-N 3.12Å; G468-R470 PolarHBondContact O-N 2.94Å |
| 469 | R | 41.7 | Very low | 49.3 | Very low | 198 Ų | 198 | 127.6 Ų | 127.6 | 75% | 0.747 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 89.1 | -173.9 | -87.8 | -179.9 | 170.6 | 173.9 | -0.4 | 113.6 | ||
| 470 | R | 33 | Very low | 46.7 | Very low | 244 Ų | 244 | 125.9 Ų | 125.9 | 92% | 0.921 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | -2.9 | 143.1 | -94.6 | -172 | -178 | 173.9 | 2.4 | 115 | G468 | G468-R470 PolarHBondContact O-N 2.94Š|
| 471 | T | 35.8 | Very low | 44.3 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | trans | -147.5 | 91.6 | 178.7 | 28.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 472 | W | 31.9 | Very low | 42.1 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | trans | -153.7 | 136.4 | 138.4 | -125.8 | 75.5 | 0 | 0 | 0 | 111.4 | R475 | W472-R475 HydrophobicContact CZ3-CG 4.3Š| ||
| 473 | I | 28.6 | Very low | 40.5 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | trans | -69.5 | 134.6 | -177.5 | -69.5 | 165 | 0 | 0 | 0 | 108.7 | R475 | I473-R475 PolarHBondContact O-N 3Š| ||
| 474 | R | 29.7 | Very low | 38.8 | Very low | 246 Ų | 246 | 136.6 Ų | 136.6 | 93% | 0.928 | 70% | 0.696 | S | S | * | * | trans | -50.2 | 103.8 | 168.1 | -84.7 | 170.7 | 138.2 | 175.3 | -6 | 109.8 | ||||
| 475 | R | 28.9 | Very low | 37.9 | Very low | 212 Ų | 212 | 136.7 Ų | 136.7 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | -83.4 | 118.3 | 149.6 | -78.4 | -173.4 | 178.1 | 167.6 | -0.5 | 107.1 | W472 I473 | W472-R475 HydrophobicContact CZ3-CG 4.3Å; I473-R475 PolarHBondContact O-N 3Å | ||
| 476 | A | 29.9 | Very low | 37.3 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 88% | 0.876 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -69.9 | 134.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 477 | G | 29.7 | Very low | 36.7 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 70% | 0.696 | S | S | * | * | trans | 141.6 | -31.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 478 | G | 30.6 | Very low | 36.6 | Very low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -91.2 | 114.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C480 | G478-C480 PolarHBondContact O-N 3.38Å; G478-C480 VanDerWaalsContact O-N 3.13Å | ||
| 479 | R | 30.6 | Very low | 36.7 | Very low | 235 Ų | 235 | 141.7 Ų | 141.7 | 89% | 0.887 | 70% | 0.699 | S | S | * | * | trans | -61.2 | 115.1 | 161.1 | -70.4 | -176.9 | -163.5 | -156.9 | 4.1 | 107.1 | L481 | R479-L481 PolarHBondContact O-N 3.48Š| ||
| 480 | C | 33.4 | Very low | 37.3 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | trans | -51.4 | 123 | 167.8 | -60 | 0 | 0 | 0 | 0 | 108.4 | G478 W482 | G478-C480 PolarHBondContact O-N 3.38Å; G478-C480 VanDerWaalsContact O-N 3.13Å; C480-W482 PolarHBondContact O-N 3.5Å; C480-W482 VanDerWaalsContact O-N 3.08Å | ||
| 481 | L | 36.9 | Very low | 38.5 | Very low | 55 Ų | 55 | 129.8 Ų | 129.8 | 29% | 0.288 | 68% | 0.675 | S | S | . | * | trans | -58.2 | 113.9 | 171.3 | -72.8 | 163.5 | 0 | 0 | 0 | 107.7 | R479 | R479-L481 PolarHBondContact O-N 3.48Š| ||
| 482 | W | 36.9 | Very low | 39.8 | Very low | 217 Ų | 217 | 133.2 Ų | 133.2 | 82% | 0.822 | 68% | 0.68 | S | S | * | * | trans | -75.4 | 151.3 | 177.1 | -75.9 | 77.5 | 0 | 0 | 0 | 109.6 | C480 D484 D485 | C480-W482 PolarHBondContact O-N 3.5Å; C480-W482 VanDerWaalsContact O-N 3.08Å; W482-D484 PolarHBondContact O-N 3.12Å; W482-D485 PolarHBondContact O-N 3.09Å | ||
| 483 | H | 42 | Very low | 41.8 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 51% | 0.509 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -47.6 | -19.1 | -178.4 | -139.1 | 65 | 0 | 0 | 0 | 115.6 | ||
| 484 | D | 38.5 | Very low | 44.4 | Very low | 127 Ų | 127 | 119 Ų | 119 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -37 | -176.4 | -90.6 | -24.1 | 0 | 0 | 0 | 114.1 | W482 L486 L487 E488 | W482-D484 PolarHBondContact O-N 3.12Å; D484-L486 VanDerWaalsContact C-N 3.33Å; D484-L486 PolarHBondContact O-N 2.93Å; D484-L487 PolarHBondContact O-N 2.95Å; D484-E488 PolarHBondContact O-N 3.01Å |
| 485 | D | 43.8 | Very low | 47.1 | Very low | 84 Ų | 84 | 107.3 Ų | 107.3 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -29.9 | -175.1 | -88.5 | -22.2 | 0 | 0 | 0 | 112.9 | R412 W482 L487 | R412-D485 PolarHBondContact NH1-O 3.19Å; W482-D485 PolarHBondContact O-N 3.09Å; D485-L487 VanDerWaalsContact C-N 3.32Å |
| 486 | L | 46.9 | Very low | 50.1 | Low | 55 Ų | 55 | 100.5 Ų | 100.5 | 29% | 0.288 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -19.9 | 179.3 | -65.8 | 174.5 | 0 | 0 | 0 | 112.9 | I400 D484 | I400-L486 HydrophobicContact CD1-CD2 3.71Å; D484-L486 VanDerWaalsContact C-N 3.33Å; D484-L486 PolarHBondContact O-N 2.93Å |
| 487 | L | 45.7 | Very low | 53 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -8.9 | -175.1 | -70.4 | 172.4 | 0 | 0 | 0 | 113.7 | D484 D485 P489 | D484-L487 PolarHBondContact O-N 2.95Å; D485-L487 VanDerWaalsContact C-N 3.32Å; L487-P489 VanDerWaalsContact O-CD 3.29Å; L487-P489 WeakPolarHBondContact O-CD 3.14Å |
| 488 | E | 48 | Very low | 56 | Low | 125 Ų | 125 | 98.6 Ų | 98.6 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -68.2 | 119.6 | 175.3 | -73.7 | -157.5 | 157.7 | 0 | 0 | 111.3 | R412 D484 T490 | R412-E488 PolarHBondContact NH2-O 2.99Å; D484-E488 PolarHBondContact O-N 3.01Å; E488-T490 PolarHBondContact O-N 3.11Å |
| 489 | P | 48.7 | Very low | 59 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 81% | 0.805 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 121.2 | 175.8 | 25.7 | -29.8 | 0 | 0 | 0 | 109.2 | L487 T491 | L487-P489 VanDerWaalsContact O-CD 3.29Å; L487-P489 WeakPolarHBondContact O-CD 3.14Å; P489-T491 PolarHBondContact O-N 3.12Å |
| 490 | T | 53.7 | Low | 61.9 | Low | 55 Ų | 55 | 88 Ų | 88 | 34% | 0.337 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 136.2 | 173.7 | 45.8 | 0 | 0 | 0 | 0 | 110.6 | E488 K492 | E488-T490 PolarHBondContact O-N 3.11Å; T490-K492 PolarHBondContact O-N 2.84Å |
| 491 | T | 57.5 | Low | 64.6 | Low | 137 Ų | 137 | 86.4 Ų | 86.4 | 84% | 0.84 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 125.9 | 172.1 | 0.3 | 0 | 0 | 0 | 0 | 108.9 | P489 | P489-T491 PolarHBondContact O-N 3.12Š|
| 492 | K | 64.8 | Low | 67.1 | Low | 194 Ų | 194 | 88.5 Ų | 88.5 | 84% | 0.843 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 126.7 | 174.9 | -71.3 | -178.3 | -179.7 | 177.7 | 0 | 108.9 | T490 | T490-K492 PolarHBondContact O-N 2.84Š|
| 493 | P | 74.1 | Confident | 69.6 | Low | 43 Ų | 43 | 82.3 Ų | 82.3 | 28% | 0.279 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 145.7 | -176.3 | 25.4 | -33.7 | 0 | 0 | 0 | 110.9 | I495 | P493-I495 WeakPolarHBondContact CB-O 3.47Å; P493-I495 WeakPolarHBondContact CG-O 3.35Å; P493-I495 PolarHBondContact O-N 2.54Å |
| 494 | S | 82.8 | Confident | 71.6 | Confident | 8 Ų | 8 | 81.4 Ų | 81.4 | 6% | 0.056 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -68 | -12.6 | 175.3 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | N519 L520 E594 | S494-N519 PolarHBondContact O-OD1 2.96Å; S494-L520 WeakPolarHBondContact O-CB 3.25Å; S494-L520 PolarHBondContact O-N 3.18Å; S494-E594 WeakPolarHBondContact CB-OE2 3.13Å; S494-E594 PolarHBondContact N-OE2 2.96Å; S494-E594 PolarHBondContact OG-OE2 2.74Å |
| 495 | I | 86.8 | Confident | 73.9 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 155.9 | 179.5 | 62.2 | 165.5 | 0 | 0 | 0 | 110.7 | P493 A518 V527 L555 C588 V590 L596 | P493-I495 WeakPolarHBondContact CB-O 3.47Å; P493-I495 WeakPolarHBondContact CG-O 3.35Å; P493-I495 PolarHBondContact O-N 2.54Å; I495-A518 CarbonylContact C-O 3.56Å; I495-A518 WeakPolarHBondContact CA-O 3.35Å; I495-V527 HydrophobicContact CD1-CG1 3.96Å; I495-V527 HydrophobicContact CD1-CG2 4.25Å; I495-V527 HydrophobicContact CG2-CG2 4.31Å; I495-L555 HydrophobicContact CG2-CD1 4.2Å; I495-C588 HydrophobicContact CD1-CB 3.83Å; I495-V590 HydrophobicContact CD1-CG2 3.63Å; I495-V590 HydrophobicContact CG1-CG2 4Å; I495-V590 HydrophobicContact CG2-CG2 4.43Å; I495-L596 HydrophobicContact CD1-CB 4.25Å; I495-L596 HydrophobicContact CD1-CD2 4.12Å; I495-L596 HydrophobicContact CG1-CB 4.35Å; I495-L596 HydrophobicContact CG1-CD2 4.02Å |
| 496 | T | 90.1 | Very high | 75.9 | Confident | 68 Ų | 68 | 74 Ų | 74 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.6 | 169.1 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | L517 A518 L520 | T496-L517 WeakPolarHBondContact O-CA 3.31Å; T496-A518 HydrophobicContact CG2-CB 3.81Å; T496-A518 PolarHBondContact N-O 2.93Å; T496-A518 PolarHBondContact O-N 2.81Å; T496-L520 HydrophobicContact CG2-CD1 4.45Å; T496-L520 HydrophobicContact CG2-CD2 3.93Å; T496-L520 HydrophobicContact CG2-CG 4.31Å |
| 497 | G | 90.8 | Very high | 77.6 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 19% | 0.186 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C516 | G497-C516 CarbonylContact C-O 3.45Å; G497-C516 VanDerWaalsContact CA-O 3.26Å; G497-C516 WeakPolarHBondContact CA-O 3.27Å |
| 498 | K | 93.2 | Very high | 79.4 | Confident | 128 Ų | 128 | 65.9 Ų | 65.9 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 130.5 | 176.6 | -179.5 | 176.6 | 176.9 | -178.3 | 0 | 111 | C516 | K498-C516 PolarHBondContact N-O 3.11Å; K498-C516 PolarHBondContact O-N 2.94Å |
| 499 | F | 93.3 | Very high | 81.2 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132.4 | 165.6 | -69.3 | -76.9 | 0 | 0 | 0 | 111 | L515 L531 I565 L584 A586 V598 K600 | F499-L515 HydrophobicContact CD1-CB 4.1Å; F499-L515 HydrophobicContact CD1-CD1 4.09Å; F499-L515 HydrophobicContact CD2-CD1 4.35Å; F499-L515 HydrophobicContact CE1-CB 4.03Å; F499-L515 HydrophobicContact CE1-CD1 4.08Å; F499-L515 HydrophobicContact CE1-CG 4.49Å; F499-L515 HydrophobicContact CE2-CD1 4.36Å; F499-L515 HydrophobicContact CG-CD1 4.25Å; F499-L515 HydrophobicContact CZ-CD1 4.24Å; F499-L531 HydrophobicContact CE1-CD2 4.22Å; F499-L531 HydrophobicContact CZ-CD2 4.16Å; F499-I565 HydrophobicContact CD1-CD1 4.12Å; F499-I565 HydrophobicContact CE1-CD1 3.61Å; F499-L584 HydrophobicContact CD1-CD1 4.43Å; F499-L584 HydrophobicContact CE1-CB 4.28Å; F499-L584 HydrophobicContact CE1-CD1 4.42Å; F499-L584 HydrophobicContact CE2-CB 4.15Å; F499-L584 HydrophobicContact CZ-CB 3.95Å; F499-A586 HydrophobicContact CE2-CB 4.09Å; F499-A586 HydrophobicContact CZ-CB 3.68Å; F499-V598 HydrophobicContact CD2-CB 4.47Å; F499-V598 HydrophobicContact CD2-CG1 3.73Å; F499-V598 HydrophobicContact CE2-CB 4.21Å; F499-V598 HydrophobicContact CE2-CG1 3.96Å; F499-V598 WeakPolarHBondContact CE2-O 3.27Å; F499-K600 HydrophobicContact CB-CB 3.68Å; F499-K600 HydrophobicContact CB-CD 4.47Å; F499-K600 HydrophobicContact CB-CG 3.85Å; F499-K600 HydrophobicContact CD2-CB 3.49Å; F499-K600 VanDerWaalsContact CD2-CB 3.49Å; F499-K600 HydrophobicContact CE2-CB 4.33Å; F499-K600 HydrophobicContact CG-CB 3.82Å; F499-K600 HydrophobicContact CG-CG 4.46Å |
| 500 | K | 91.8 | Very high | 83.3 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.7 | 171.4 | -65.3 | -176.1 | -171.9 | 157.3 | 0 | 109 | L513 A514 C516 E560 | K500-L513 CarbonylContact O-C 3.53Å; K500-L513 WeakPolarHBondContact O-CA 3.4Å; K500-A514 PolarHBondContact N-O 3.13Å; K500-A514 PolarHBondContact O-N 2.91Å; K500-C516 VanDerWaalsContact CD-SG 3.54Å; K500-E560 IonicContact NZ-OE1 3.67Å |
| 501 | L | 89.9 | Confident | 85.1 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 131.1 | 166.5 | -76.9 | 156.3 | 0 | 0 | 0 | 107.9 | P505 L513 | L501-P505 HydrophobicContact CD1-CG 4.27Å; L501-P505 HydrophobicContact CD2-CB 4.17Å; L501-P505 HydrophobicContact CD2-CG 4.33Å; L501-L513 HydrophobicContact CD2-CD2 3.32Å; L501-L513 HydrophobicContact CD2-CG 4.25Å; L501-L513 HydrophobicContact CG-CD2 3.84Å |
| 502 | L | 90.5 | Very high | 86.8 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -87.8 | -31 | 176 | -59.5 | 178.1 | 0 | 0 | 0 | 111.1 | R512 A514 | L502-R512 HydrophobicContact CB-CB 4.29Å; L502-R512 WeakPolarHBondContact CB-O 3.38Å; L502-R512 HydrophobicContact CD1-CB 4.48Å; L502-R512 PolarHBondContact N-O 2.87Å; L502-A514 HydrophobicContact CD1-CB 4.49Å; L502-A514 HydrophobicContact CD2-CB 4.14Å; L502-A514 HydrophobicContact CG-CB 4.49Å |
| 503 | E | 88 | Confident | 88.2 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -134.6 | 157.3 | 177.9 | -66.2 | 171.7 | -158.4 | 0 | 0 | 109 | R512 | E503-R512 VanDerWaalsContact OE1-CD 3.26Å; E503-R512 WeakPolarHBondContact OE1-CD 3.41Å; E503-R512 IonicContact OE1-CZ 3.93Å; E503-R512 IonicContact OE1-NE 3.63Å; E503-R512 IonicContact OE1-NH1 3.6Å; E503-R512 PolarHBondContact OE1-NH1 3.42Å; E503-R512 IonicContact OE2-NH1 2.74Å |
| 504 | P | 85.1 | Confident | 89.1 | Confident | 90 Ų | 90 | 45.7 Ų | 45.7 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | trans | -57.4 | 134.8 | 172.6 | -23.4 | 34.4 | 0 | 0 | 0 | 111.2 | M506 | P504-M506 VanDerWaalsContact C-N 3.34Å; P504-M506 PolarHBondContact O-N 2.96Å | ||
| 505 | P | 87.2 | Confident | 89.7 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.078 | 23% | 0.23 | C | C | . | . | trans | -77 | 84.8 | -178.4 | 32.3 | -34.2 | 0 | 0 | 0 | 110.2 | L501 L511 I602 L604 E605 | L501-P505 HydrophobicContact CD1-CG 4.27Å; L501-P505 HydrophobicContact CD2-CB 4.17Å; L501-P505 HydrophobicContact CD2-CG 4.33Å; P505-L511 HydrophobicContact CB-CD2 3.82Å; P505-I602 HydrophobicContact CB-CG2 3.58Å; P505-I602 HydrophobicContact CG-CG2 3.99Å; P505-L604 HydrophobicContact CB-CD2 3.97Å; P505-L604 CarbonylContact O-C 3.56Å; P505-L604 VanDerWaalsContact O-CA 3.23Å; P505-L604 WeakPolarHBondContact O-CA 3.35Å; P505-E605 PolarHBondContact O-N 3.49Å | ||
| 506 | M | 84.3 | Confident | 90.1 | Very high | 45 Ų | 45 | 45.6 Ų | 45.6 | 22% | 0.222 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -83.1 | 140.5 | 179.4 | -66.1 | -60.9 | -58.7 | 0 | 0 | 111.6 | P504 G508 H509 E605 F607 | P504-M506 VanDerWaalsContact C-N 3.34Å; P504-M506 PolarHBondContact O-N 2.96Å; M506-G508 PolarHBondContact O-N 2.76Å; M506-H509 HydrophobicContact CB-CB 4.2Å; M506-H509 PolarHBondContact O-N 3.15Å; M506-E605 HydrophobicContact SD-CB 3.98Å; M506-F607 HydrophobicContact CE-CD2 4.01Å; M506-F607 HydrophobicContact CE-CE2 3.68Å; M506-F607 HydrophobicContact SD-CE2 3.78Å |
| 507 | L | 84.3 | Confident | 90.3 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 135.9 | 169.5 | -176 | 65.4 | 0 | 0 | 0 | 110.1 | L576 L604 E605 P631 L632 F691 | L507-L576 HydrophobicContact CD1-CD2 3.49Å; L507-L576 VanDerWaalsContact CD1-CD2 3.49Å; L507-L604 HydrophobicContact CB-CB 4.39Å; L507-L604 HydrophobicContact CD1-CD1 3.72Å; L507-E605 PolarHBondContact N-O 3.16Å; L507-P631 HydrophobicContact CB-CB 4.37Å; L507-P631 HydrophobicContact CB-CG 4.39Å; L507-P631 HydrophobicContact CD2-CG 4.13Å; L507-P631 HydrophobicContact CG-CG 4.46Å; L507-P631 VanDerWaalsContact O-O 3.08Å; L507-L632 HydrophobicContact CG-CD2 4.11Å; L507-F691 HydrophobicContact CD2-CB 3.81Å; L507-F691 HydrophobicContact CD2-CG 4.46Å |
| 508 | G | 82.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -7.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | M506 | M506-G508 PolarHBondContact O-N 2.76Š|
| 509 | H | 86.4 | Confident | 90.3 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 30% | 0.301 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -112.3 | 149.4 | -176.5 | -73.6 | -108.8 | 0 | 0 | 0 | 112.8 | M506 L511 Y572 Q663 | M506-H509 HydrophobicContact CB-CB 4.2Å; M506-H509 PolarHBondContact O-N 3.15Å; H509-L511 PolarHBondContact O-N 3.47Å; H509-Y572 PolarHBondContact O-OH 3.44Å; H509-Q663 PolarHBondContact NE2-NE2 3.24Å |
| 510 | D | 91.6 | Very high | 90.1 | Very high | 68 Ų | 68 | 41.3 Ų | 41.3 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | trans | -58.2 | 135.5 | 172.2 | -67.4 | -10.1 | 0 | 0 | 0 | 111.8 | R512 I567 S568 Y569 | D510-R512 PolarHBondContact O-N 2.96Å; D510-I567 CarbonylContact C-O 3.54Å; D510-I567 WeakPolarHBondContact CA-O 2.97Å; D510-S568 WeakPolarHBondContact OD1-CA 3.4Å; D510-S568 WeakPolarHBondContact OD1-CB 3.33Å; D510-S568 PolarHBondContact OD1-OG 3.35Å; D510-Y569 PolarHBondContact OD1-N 3.3Å | ||
| 511 | L | 92.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 118.3 | 177.3 | -60.9 | 177.1 | 0 | 0 | 0 | 110.7 | P505 H509 L513 T566 I567 Y572 I582 L604 | P505-L511 HydrophobicContact CB-CD2 3.82Å; H509-L511 PolarHBondContact O-N 3.47Å; L511-L513 HydrophobicContact CB-CD1 4.15Å; L511-T566 WeakPolarHBondContact O-CA 3.41Å; L511-I567 HydrophobicContact CB-CB 4.26Å; L511-I567 PolarHBondContact N-O 3.32Å; L511-I567 PolarHBondContact O-N 3.21Å; L511-Y572 HydrophobicContact CD1-CE1 4.07Å; L511-Y572 HydrophobicContact CG-CE1 3.99Å; L511-I582 HydrophobicContact CD1-CD1 3.48Å; L511-I582 VanDerWaalsContact CD1-CD1 3.48Å; L511-L604 HydrophobicContact CD1-CD2 4.37Å; L511-L604 HydrophobicContact CD2-CD2 3.75Å |
| 512 | R | 93.1 | Very high | 89.6 | Confident | 113 Ų | 113 | 40.7 Ų | 40.7 | 43% | 0.426 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.4 | 179.3 | -68 | 175 | 175.9 | -178.9 | 1.7 | 111.2 | L502 E503 D510 T566 | L502-R512 HydrophobicContact CB-CB 4.29Å; L502-R512 WeakPolarHBondContact CB-O 3.38Å; L502-R512 HydrophobicContact CD1-CB 4.48Å; L502-R512 PolarHBondContact N-O 2.87Å; E503-R512 VanDerWaalsContact OE1-CD 3.26Å; E503-R512 WeakPolarHBondContact OE1-CD 3.41Å; E503-R512 IonicContact OE1-CZ 3.93Å; E503-R512 IonicContact OE1-NE 3.63Å; E503-R512 IonicContact OE1-NH1 3.6Å; E503-R512 PolarHBondContact OE1-NH1 3.42Å; E503-R512 IonicContact OE2-NH1 2.74Å; D510-R512 PolarHBondContact O-N 2.96Å; R512-T566 HydrophobicContact CG-CG2 4.45Å |
| 513 | L | 93.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 164.8 | -171.2 | -53.6 | 132.8 | 0 | 0 | 0 | 110.2 | K500 L501 L511 I565 I567 L584 I602 | K500-L513 CarbonylContact O-C 3.53Å; K500-L513 WeakPolarHBondContact O-CA 3.4Å; L501-L513 HydrophobicContact CD2-CD2 3.32Å; L501-L513 HydrophobicContact CD2-CG 4.25Å; L501-L513 HydrophobicContact CG-CD2 3.84Å; L511-L513 HydrophobicContact CB-CD1 4.15Å; L513-I565 HydrophobicContact CB-CB 4.23Å; L513-I565 HydrophobicContact CD1-CG2 4.31Å; L513-I565 PolarHBondContact N-O 3.11Å; L513-I565 PolarHBondContact O-N 3.39Å; L513-I565 VanDerWaalsContact O-O 3.13Å; L513-I567 HydrophobicContact CD1-CD1 4.33Å; L513-L584 HydrophobicContact CD1-CD1 3.54Å; L513-L584 HydrophobicContact CD2-CD1 4.12Å; L513-L584 HydrophobicContact CG-CD1 4.38Å; L513-I602 HydrophobicContact CD1-CD1 4.11Å; L513-I602 HydrophobicContact CD2-CD1 3.54Å; L513-I602 HydrophobicContact CD2-CG1 4.49Å; L513-I602 HydrophobicContact CG-CD1 4.45Å |
| 514 | A | 94.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K500 L502 C516 I563 | K500-A514 PolarHBondContact N-O 3.13Å; K500-A514 PolarHBondContact O-N 2.91Å; L502-A514 HydrophobicContact CD1-CB 4.49Å; L502-A514 HydrophobicContact CD2-CB 4.14Å; L502-A514 HydrophobicContact CG-CB 4.49Å; A514-C516 PolarHBondContact O-N 3.12Å; A514-I563 CarbonylContact C-O 3.57Å; A514-I563 VanDerWaalsContact CA-O 3.27Å; A514-I563 WeakPolarHBondContact CA-O 3.43Å |
| 515 | L | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.4 | 164.7 | 178.8 | 65.1 | 0 | 0 | 0 | 108.5 | F499 L517 V529 L531 R562 I563 I565 A586 V598 | F499-L515 HydrophobicContact CD1-CB 4.1Å; F499-L515 HydrophobicContact CD1-CD1 4.09Å; F499-L515 HydrophobicContact CD2-CD1 4.35Å; F499-L515 HydrophobicContact CE1-CB 4.03Å; F499-L515 HydrophobicContact CE1-CD1 4.08Å; F499-L515 HydrophobicContact CE1-CG 4.49Å; F499-L515 HydrophobicContact CE2-CD1 4.36Å; F499-L515 HydrophobicContact CG-CD1 4.25Å; F499-L515 HydrophobicContact CZ-CD1 4.24Å; L515-L517 HydrophobicContact CD1-CD2 4.3Å; L515-L517 HydrophobicContact CD2-CD1 4.2Å; L515-L517 HydrophobicContact CD2-CD2 4.13Å; L515-L517 HydrophobicContact CD2-CG 4.13Å; L515-L517 HydrophobicContact CG-CD2 4.1Å; L515-L517 HydrophobicContact CG-CG 4.05Å; L515-V529 HydrophobicContact CD2-CG1 3.65Å; L515-L531 HydrophobicContact CD2-CD2 3.93Å; L515-R562 WeakPolarHBondContact O-CA 3.31Å; L515-I563 HydrophobicContact CB-CB 4.38Å; L515-I563 HydrophobicContact CD2-CD1 4.32Å; L515-I563 PolarHBondContact N-O 3.05Å; L515-I563 PolarHBondContact O-N 3.29Å; L515-I565 HydrophobicContact CB-CD1 4.15Å; L515-A586 HydrophobicContact CD1-CB 4.35Å; L515-A586 HydrophobicContact CD2-CB 3.68Å; L515-V598 HydrophobicContact CD1-CB 4.43Å; L515-V598 HydrophobicContact CD1-CG1 4.23Å |
| 516 | C | 94.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 118.5 | 174.1 | -58.6 | 0 | 0 | 0 | 0 | 108.7 | G497 K498 K500 A514 E560 K561 | G497-C516 CarbonylContact C-O 3.45Å; G497-C516 VanDerWaalsContact CA-O 3.26Å; G497-C516 WeakPolarHBondContact CA-O 3.27Å; K498-C516 PolarHBondContact N-O 3.11Å; K498-C516 PolarHBondContact O-N 2.94Å; K500-C516 VanDerWaalsContact CD-SG 3.54Å; A514-C516 PolarHBondContact O-N 3.12Å; C516-E560 WeakPolarHBondContact CB-OE1 3.34Å; C516-K561 WeakPolarHBondContact CA-O 3.47Å |
| 517 | L | 93.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.6 | 176 | -66.3 | 177.2 | 0 | 0 | 0 | 109.6 | T496 L515 V529 L555 E560 K561 I563 | T496-L517 WeakPolarHBondContact O-CA 3.31Å; L515-L517 HydrophobicContact CD1-CD2 4.3Å; L515-L517 HydrophobicContact CD2-CD1 4.2Å; L515-L517 HydrophobicContact CD2-CD2 4.13Å; L515-L517 HydrophobicContact CD2-CG 4.13Å; L515-L517 HydrophobicContact CG-CD2 4.1Å; L515-L517 HydrophobicContact CG-CG 4.05Å; L517-V529 HydrophobicContact CD1-CG2 3.5Å; L517-L555 HydrophobicContact CB-CD1 4.24Å; L517-L555 HydrophobicContact CB-CD2 4.48Å; L517-E560 CarbonylContact O-C 3.54Å; L517-E560 VanDerWaalsContact O-CA 3.31Å; L517-E560 WeakPolarHBondContact O-CA 3.44Å; L517-K561 PolarHBondContact N-O 3.15Å; L517-K561 PolarHBondContact O-N 2.95Å; L517-I563 HydrophobicContact CD1-CD1 4.11Å |
| 518 | A | 92.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I495 T496 E559 E560 | I495-A518 CarbonylContact C-O 3.56Å; I495-A518 WeakPolarHBondContact CA-O 3.35Å; T496-A518 HydrophobicContact CG2-CB 3.81Å; T496-A518 PolarHBondContact N-O 2.93Å; T496-A518 PolarHBondContact O-N 2.81Å; A518-E559 WeakPolarHBondContact CA-O 3.26Å; A518-E560 HydrophobicContact CB-CB 4.21Å; A518-E560 HydrophobicContact CB-CG 4.26Å |
| 519 | N | 91.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.8 | 172.1 | 179.4 | 9 | 0 | 0 | 0 | 109.8 | S494 T521 R523 L555 G556 Q558 E559 | S494-N519 PolarHBondContact O-OD1 2.96Å; N519-T521 VanDerWaalsContact C-N 3.34Å; N519-T521 PolarHBondContact OD1-N 3.1Å; N519-T521 PolarHBondContact OD1-OG1 2.94Å; N519-R523 PolarHBondContact ND2-O 3.17Å; N519-L555 HydrophobicContact CB-CB 3.91Å; N519-L555 HydrophobicContact CB-CD1 4.3Å; N519-G556 PolarHBondContact ND2-O 3.47Å; N519-Q558 VanDerWaalsContact O-CA 3.28Å; N519-Q558 WeakPolarHBondContact O-CA 3.47Å; N519-E559 PolarHBondContact N-O 2.97Å |
| 520 | L | 88.9 | Confident | 91.6 | Very high | 107 Ų | 107 | 47 Ų | 47 | 56% | 0.56 | 23% | 0.229 | S | C | * | . | trans | -89.7 | -4.9 | -179.8 | -57.2 | 179.8 | 0 | 0 | 0 | 112.6 | S494 T496 | S494-L520 WeakPolarHBondContact O-CB 3.25Å; S494-L520 PolarHBondContact O-N 3.18Å; T496-L520 HydrophobicContact CG2-CD1 4.45Å; T496-L520 HydrophobicContact CG2-CD2 3.93Å; T496-L520 HydrophobicContact CG2-CG 4.31Å | ||
| 521 | T | 86.8 | Confident | 91.7 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 23% | 0.233 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -104.5 | 158.3 | -175.2 | 70 | 0 | 0 | 0 | 0 | 112.6 | N519 R523 Q525 Q558 | N519-T521 VanDerWaalsContact C-N 3.34Å; N519-T521 PolarHBondContact OD1-N 3.1Å; N519-T521 PolarHBondContact OD1-OG1 2.94Å; T521-R523 PolarHBondContact O-N 2.99Å; T521-R523 PolarHBondContact OG1-O 3.42Å; T521-Q525 PolarHBondContact OG1-NE2 3.21Å; T521-Q525 VanDerWaalsContact OG1-NE2 3.15Å; T521-Q558 PolarHBondContact O-N 2.92Å |
| 522 | S | 86.1 | Confident | 91.8 | Very high | 87 Ų | 87 | 43.9 Ų | 43.9 | 61% | 0.608 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -79.8 | 5.9 | 172.9 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | R557 | S522-R557 WeakPolarHBondContact O-CD 3.18Å; S522-R557 VanDerWaalsContact O-CG 3.25Å; S522-R557 WeakPolarHBondContact O-CG 3.11Å; S522-R557 PolarHBondContact O-NE 2.95Å |
| 523 | R | 87.3 | Confident | 91.9 | Very high | 167 Ų | 167 | 38.7 Ų | 38.7 | 63% | 0.63 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -110.9 | 148.5 | 178.3 | -62.1 | -172.4 | -175.8 | -162.7 | 5.9 | 109.9 | N519 T521 | N519-R523 PolarHBondContact ND2-O 3.17Å; T521-R523 PolarHBondContact O-N 2.99Å; T521-R523 PolarHBondContact OG1-O 3.42Å |
| 524 | V | 88.2 | Confident | 91.9 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | trans | -67.2 | 135.3 | 173.1 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | R554 L555 | V524-R554 HydrophobicContact CG1-CG 3.9Å; V524-L555 WeakPolarHBondContact CA-O 3.17Å; V524-L555 WeakPolarHBondContact CG1-O 3.39Å | ||
| 525 | Q | 88.9 | Confident | 91.7 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.2 | 177.6 | -60.6 | -67.4 | -8.2 | 0 | 0 | 109.5 | T521 V527 L555 V590 | T521-Q525 PolarHBondContact OG1-NE2 3.21Å; T521-Q525 VanDerWaalsContact OG1-NE2 3.15Å; Q525-V527 HydrophobicContact CB-CG2 4.34Å; Q525-L555 PolarHBondContact N-O 2.81Å; Q525-L555 PolarHBondContact O-N 2.95Å; Q525-V590 HydrophobicContact CB-CG1 4.48Å |
| 526 | Q | 91.3 | Very high | 91.4 | Very high | 120 Ų | 120 | 39.3 Ų | 39.3 | 56% | 0.561 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.5 | 165.2 | -67.9 | -168.5 | 2.3 | 0 | 0 | 108.7 | T591 | Q526-T591 WeakPolarHBondContact CB-OG1 3.34Å; Q526-T591 PolarHBondContact O-N 3.43Å; Q526-T591 PolarHBondContact O-OG1 2.79Å |
| 527 | V | 92.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.3 | -175.4 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | I495 Q525 V529 V553 L555 C588 L589 V590 | I495-V527 HydrophobicContact CD1-CG1 3.96Å; I495-V527 HydrophobicContact CD1-CG2 4.25Å; I495-V527 HydrophobicContact CG2-CG2 4.31Å; Q525-V527 HydrophobicContact CB-CG2 4.34Å; V527-V529 HydrophobicContact CG1-CG2 3.94Å; V527-V553 PolarHBondContact N-O 3.35Å; V527-V553 PolarHBondContact O-N 3.23Å; V527-L555 HydrophobicContact CG2-CD1 3.86Å; V527-L555 HydrophobicContact CG2-CG 4.47Å; V527-C588 HydrophobicContact CG1-CB 3.86Å; V527-L589 WeakPolarHBondContact CA-O 3.41Å; V527-V590 HydrophobicContact CG2-CG2 4.28Å |
| 528 | R | 93.4 | Very high | 90.6 | Very high | 153 Ų | 153 | 39.4 Ų | 39.4 | 58% | 0.577 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125 | 165.2 | -179.2 | 177.8 | -67.5 | 160.7 | -1.2 | 107.9 | C588 L589 | R528-C588 CarbonylContact O-C 3.58Å; R528-C588 WeakPolarHBondContact O-CA 3.12Å; R528-L589 HydrophobicContact CB-CB 4.39Å; R528-L589 PolarHBondContact N-O 2.92Å; R528-L589 PolarHBondContact O-N 3.2Å |
| 529 | V | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110.8 | -176.4 | -176 | 0 | 0 | 0 | 0 | 107.9 | L515 L517 V527 L531 S550 H551 V553 I563 A586 | L515-V529 HydrophobicContact CD2-CG1 3.65Å; L517-V529 HydrophobicContact CD1-CG2 3.5Å; V527-V529 HydrophobicContact CG1-CG2 3.94Å; V529-L531 HydrophobicContact CG1-CD2 4.1Å; V529-L531 HydrophobicContact CG1-CG 4.17Å; V529-S550 CarbonylContact O-C 3.57Å; V529-S550 VanDerWaalsContact O-CA 3.31Å; V529-S550 WeakPolarHBondContact O-CA 3.18Å; V529-H551 HydrophobicContact CB-CB 4.36Å; V529-H551 PolarHBondContact N-O 2.8Å; V529-H551 PolarHBondContact O-N 2.89Å; V529-V553 HydrophobicContact CG2-CG2 4.07Å; V529-I563 HydrophobicContact CB-CD1 4.24Å; V529-I563 HydrophobicContact CG1-CD1 4.11Å; V529-I563 HydrophobicContact CG2-CD1 4.09Å; V529-A586 HydrophobicContact CG1-CB 4.46Å |
| 530 | N | 94.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119 | 173.7 | -67.6 | -15.5 | 0 | 0 | 0 | 108.4 | S316 F317 S550 A586 M587 | S316-N530 WeakPolarHBondContact O-CB 2.97Å; S316-N530 PolarHBondContact O-ND2 2.96Å; F317-N530 HydrophobicContact CB-CB 4.44Å; F317-N530 HydrophobicContact CD1-CB 3.64Å; F317-N530 HydrophobicContact CE1-CB 3.96Å; F317-N530 HydrophobicContact CG-CB 4.04Å; N530-S550 WeakPolarHBondContact OD1-CB 3.49Å; N530-S550 PolarHBondContact OD1-OG 3.01Å; N530-A586 CarbonylContact O-C 3.55Å; N530-A586 WeakPolarHBondContact O-CA 3.27Å; N530-M587 HydrophobicContact CB-CB 4.43Å; N530-M587 PolarHBondContact N-O 3.23Å; N530-M587 PolarHBondContact O-N 2.82Å |
| 531 | L | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.6 | -178 | -66.8 | 172.8 | 0 | 0 | 0 | 109.8 | F499 L515 V529 L547 H548 E549 I565 A585 A586 | F499-L531 HydrophobicContact CE1-CD2 4.22Å; F499-L531 HydrophobicContact CZ-CD2 4.16Å; L515-L531 HydrophobicContact CD2-CD2 3.93Å; V529-L531 HydrophobicContact CG1-CD2 4.1Å; V529-L531 HydrophobicContact CG1-CG 4.17Å; L531-L547 HydrophobicContact CB-CD2 4.47Å; L531-H548 WeakPolarHBondContact O-CA 3.42Å; L531-E549 HydrophobicContact CB-CB 4.27Å; L531-E549 HydrophobicContact CD1-CB 4.5Å; L531-E549 PolarHBondContact N-O 3.33Å; L531-E549 PolarHBondContact O-N 3.03Å; L531-I565 HydrophobicContact CD1-CD1 3.83Å; L531-I565 HydrophobicContact CD1-CG1 4.01Å; L531-I565 HydrophobicContact CD2-CD1 4.14Å; L531-A585 WeakPolarHBondContact CA-O 3.3Å; L531-A586 HydrophobicContact CD2-CB 3.5Å |
| 532 | S | 94.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.8 | 168.4 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | F317 R319 L547 A585 | F317-S532 PolarHBondContact O-OG 2.87Å; R319-S532 WeakPolarHBondContact CG-OG 3.42Å; S532-L547 CarbonylContact C-O 3.55Å; S532-L547 VanDerWaalsContact CA-O 3.29Å; S532-L547 WeakPolarHBondContact CA-O 3.49Å; S532-A585 PolarHBondContact N-O 2.71Å; S532-A585 PolarHBondContact O-N 2.9Å |
| 533 | G | 93.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 138.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I546 L547 L583 | G533-I546 WeakPolarHBondContact O-CG1 3.47Å; G533-I546 PolarHBondContact O-N 3.47Å; G533-L547 PolarHBondContact N-O 2.78Å; G533-L547 PolarHBondContact O-N 3.01Å; G533-L583 VanDerWaalsContact CA-O 3.31Å; G533-L583 WeakPolarHBondContact CA-O 3.38Å |
| 534 | A | 93.4 | Very high | 89.9 | Confident | 18 Ų | 18 | 32.1 Ų | 32.1 | 15% | 0.149 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | P542 A544 I582 L583 | A534-P542 HydrophobicContact CB-CB 4.3Å; A534-A544 CarbonylContact C-O 3.43Å; A534-A544 WeakPolarHBondContact CA-O 3.28Å; A534-A544 VanDerWaalsContact CB-O 3.28Å; A534-A544 WeakPolarHBondContact CB-O 3.31Å; A534-I582 CarbonylContact O-C 3.58Å; A534-I582 WeakPolarHBondContact O-CA 3.46Å; A534-L583 PolarHBondContact N-O 2.86Å; A534-L583 PolarHBondContact O-N 2.9Å |
| 535 | T | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 141 | 161 | 56 | 0 | 0 | 0 | 0 | 108.5 | V543 A544 I546 D575 L576 I582 | T535-V543 PolarHBondContact O-N 2.83Å; T535-A544 PolarHBondContact N-O 2.93Å; T535-A544 PolarHBondContact OG1-N 2.96Å; T535-I546 HydrophobicContact CG2-CG2 4.09Å; T535-D575 VanDerWaalsContact CB-O 3.27Å; T535-D575 WeakPolarHBondContact CB-O 3.13Å; T535-D575 HydrophobicContact CG2-CB 4.47Å; T535-D575 PolarHBondContact OG1-O 2.8Å; T535-L576 HydrophobicContact CG2-CD1 4.36Å; T535-I582 HydrophobicContact CG2-CG1 4.2Å |
| 536 | I | 89.7 | Confident | 90.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.4 | -175.5 | 56.3 | 156.1 | 0 | 0 | 0 | 111.3 | R540 K541 T577 K581 L583 | I536-R540 HydrophobicContact CD1-CG 4.41Å; I536-K541 CarbonylContact C-O 3.55Å; I536-K541 VanDerWaalsContact CA-O 3.25Å; I536-K541 WeakPolarHBondContact CA-O 3.36Å; I536-T577 PolarHBondContact O-OG1 2.94Å; I536-K581 HydrophobicContact CD1-CB 4.12Å; I536-K581 HydrophobicContact CG1-CB 3.71Å; I536-K581 PolarHBondContact N-O 2.63Å; I536-L583 HydrophobicContact CD1-CB 3.89Å; I536-L583 HydrophobicContact CG1-CB 4.18Å; I536-L583 HydrophobicContact CG2-CB 3.71Å; I536-L583 HydrophobicContact CG2-CD2 4.47Å |
| 537 | L | 86.6 | Confident | 90.2 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | trans | -77.8 | 167.2 | 162 | -61.4 | 175.7 | 0 | 0 | 0 | 110.9 | W238 T539 R540 K541 V543 T577 D579 | W238-L537 WeakPolarHBondContact O-CD1 3.27Å; L537-T539 PolarHBondContact O-N 2.87Å; L537-R540 WeakPolarHBondContact O-CA 3.45Å; L537-R540 PolarHBondContact O-N 3.17Å; L537-K541 HydrophobicContact CB-CB 4.4Å; L537-K541 HydrophobicContact CD1-CB 4.25Å; L537-K541 PolarHBondContact N-O 2.87Å; L537-V543 HydrophobicContact CD2-CG2 4.46Å; L537-V543 HydrophobicContact CG-CG2 4.1Å; L537-T577 HydrophobicContact CD2-CG2 3.75Å; L537-D579 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 538 | Y | 83.4 | Confident | 90.3 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.2 | 177.9 | 86.9 | -85.1 | 0 | 0 | 0 | 113.5 | W238 Q273 C274 W275 W330 N331 F332 R540 D579 | W238-Y538 AromaticContact CD1-CE1 3.63Å; W238-Y538 AromaticContact CD1-CZ 3.87Å; W238-Y538 AromaticContact NE1-CE1 3.76Å; W238-Y538 AromaticContact NE1-CZ 3.59Å; W238-Y538 PolarHBondContact NE1-OH 2.87Å; Q273-Y538 HydrophobicContact CB-CE1 4.38Å; Q273-Y538 HydrophobicContact CG-CE1 4.34Å; C274-Y538 PolarHBondContact SG-OH 3.25Å; W275-Y538 HydrophobicContact CH2-CE1 4.36Å; W275-Y538 HydrophobicContact CZ3-CD1 4.16Å; W275-Y538 AromaticContact CZ3-CE1 3.8Å; W275-Y538 HydrophobicContact CZ3-CE1 3.8Å; W275-Y538 HydrophobicContact CZ3-CE2 4.38Å; W275-Y538 AromaticContact CZ3-CZ 3.9Å; W330-Y538 HydrophobicContact CD2-CE2 4.5Å; W330-Y538 AromaticContact CE3-CE2 3.74Å; W330-Y538 HydrophobicContact CE3-CE2 3.74Å; W330-Y538 HydrophobicContact CZ3-CE2 4.19Å; W330-Y538 VanDerWaalsContact CZ3-OH 3.27Å; W330-Y538 WeakPolarHBondContact CZ3-OH 3.48Å; N331-Y538 VanDerWaalsContact CB-O 3.25Å; N331-Y538 WeakPolarHBondContact CB-O 3.46Å; N331-Y538 PolarHBondContact N-O 2.92Å; N331-Y538 VanDerWaalsContact N-O 3.1Å; N331-Y538 PolarHBondContact ND2-O 2.9Å; F332-Y538 HydrophobicContact CD1-CD2 4.2Å; F332-Y538 AromaticContact CE1-CD2 3.7Å; F332-Y538 HydrophobicContact CE1-CD2 3.7Å; F332-Y538 HydrophobicContact CE1-CG 4.13Å; F332-Y538 HydrophobicContact CE2-CD2 4.26Å; F332-Y538 HydrophobicContact CE2-CE2 4.28Å; F332-Y538 AromaticContact CZ-CD2 3.71Å; F332-Y538 HydrophobicContact CZ-CD2 3.71Å; F332-Y538 HydrophobicContact CZ-CE2 4.13Å; F332-Y538 HydrophobicContact CZ-CG 4.19Å; F332-Y538 WeakPolarHBondContact O-CE2 3.31Å; Y538-R540 PolarHBondContact O-N 2.93Å; Y538-D579 PolarHBondContact N-OD2 2.75Å |
| 539 | T | 81.4 | Confident | 90.3 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 0.3 | 171.3 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | W238 W330 L537 K541 | W238-T539 HydrophobicContact CG-CG2 4.48Å; W330-T539 HydrophobicContact CD2-CG2 3.85Å; W330-T539 HydrophobicContact CE3-CG2 4.2Å; W330-T539 HydrophobicContact CG-CG2 4.3Å; W330-T539 HydrophobicContact CH2-CG2 4.39Å; W330-T539 HydrophobicContact CZ2-CG2 4.06Å; W330-T539 HydrophobicContact CZ3-CG2 4.46Å; L537-T539 PolarHBondContact O-N 2.87Å; T539-K541 VanDerWaalsContact C-N 3.28Å; T539-K541 PolarHBondContact O-N 2.84Å |
| 540 | R | 84.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | trans | 69.9 | 12.6 | -174.7 | -54.5 | -172 | 177.5 | -131.7 | -10 | 115.9 | M329 N331 I536 L537 Y538 P542 D601 | M329-R540 VanDerWaalsContact CE-NH1 3.3Å; M329-R540 WeakPolarHBondContact O-CD 3.16Å; M329-R540 WeakPolarHBondContact O-CG 3.26Å; M329-R540 PolarHBondContact O-NE 3.47Å; N331-R540 PolarHBondContact OD1-NE 3.2Å; N331-R540 PolarHBondContact OD1-NH2 3.4Å; I536-R540 HydrophobicContact CD1-CG 4.41Å; L537-R540 WeakPolarHBondContact O-CA 3.45Å; L537-R540 PolarHBondContact O-N 3.17Å; Y538-R540 PolarHBondContact O-N 2.93Å; R540-P542 VanDerWaalsContact O-CD 3.31Å; R540-P542 WeakPolarHBondContact O-CD 3.42Å; R540-D601 IonicContact CZ-OD1 2.94Å; R540-D601 IonicContact CZ-OD2 2.63Å; R540-D601 IonicContact NH1-OD1 2.91Å; R540-D601 IonicContact NH1-OD2 3.35Å; R540-D601 PolarHBondContact NH1-OD2 3Å; R540-D601 IonicContact NH2-OD1 3.68Å; R540-D601 IonicContact NH2-OD2 3.9Å; R540-D601 PolarHBondContact NH2-OD2 2.69Å | ||
| 541 | K | 86 | Confident | 90.2 | Very high | 90 Ų | 90 | 33.9 Ų | 33.9 | 39% | 0.391 | 18% | 0.182 | S | C | . | . | trans | -66.4 | 119.8 | 172.1 | -165.7 | -179.2 | 177.8 | 160.1 | 0 | 110.7 | E322 I536 L537 T539 | E322-K541 WeakPolarHBondContact OE1-CE 3.31Å; E322-K541 WeakPolarHBondContact OE1-CG 3.39Å; E322-K541 WeakPolarHBondContact OE2-CE 3.39Å; E322-K541 IonicContact OE2-NZ 3.34Å; I536-K541 CarbonylContact C-O 3.55Å; I536-K541 VanDerWaalsContact CA-O 3.25Å; I536-K541 WeakPolarHBondContact CA-O 3.36Å; L537-K541 HydrophobicContact CB-CB 4.4Å; L537-K541 HydrophobicContact CD1-CB 4.25Å; L537-K541 PolarHBondContact N-O 2.87Å; T539-K541 VanDerWaalsContact C-N 3.28Å; T539-K541 PolarHBondContact O-N 2.84Å | ||
| 542 | P | 86.9 | Confident | 90.1 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 144.7 | 173.2 | 23.9 | -36.1 | 0 | 0 | 0 | 113.4 | E322 A534 R540 | E322-P542 HydrophobicContact CG-CG 4.24Å; E322-P542 WeakPolarHBondContact OE1-CD 3.39Å; E322-P542 WeakPolarHBondContact OE1-CG 3.22Å; A534-P542 HydrophobicContact CB-CB 4.3Å; R540-P542 VanDerWaalsContact O-CD 3.31Å; R540-P542 WeakPolarHBondContact O-CD 3.42Å |
| 543 | V | 88.5 | Confident | 90 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -55.6 | 178.1 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | T535 L537 T577 | T535-V543 PolarHBondContact O-N 2.83Å; L537-V543 HydrophobicContact CD2-CG2 4.46Å; L537-V543 HydrophobicContact CG-CG2 4.1Å; V543-T577 HydrophobicContact CB-CG2 4.33Å; V543-T577 HydrophobicContact CG1-CG2 4.22Å; V543-T577 HydrophobicContact CG2-CG2 3.74Å |
| 544 | A | 89.4 | Confident | 90 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A534 T535 D575 | A534-A544 CarbonylContact C-O 3.43Å; A534-A544 WeakPolarHBondContact CA-O 3.28Å; A534-A544 VanDerWaalsContact CB-O 3.28Å; A534-A544 WeakPolarHBondContact CB-O 3.31Å; T535-A544 PolarHBondContact N-O 2.93Å; T535-A544 PolarHBondContact OG1-N 2.96Å; A544-D575 HydrophobicContact CB-CB 3.34Å; A544-D575 WeakPolarHBondContact CB-OD2 3Å |
| 545 | E | 91.1 | Very high | 89.9 | Confident | 91 Ų | 91 | 46 Ų | 46 | 43% | 0.425 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.3 | 176.1 | -174.6 | 168.5 | -160.1 | 0 | 0 | 110.7 | R319 H548 | R319-E545 IonicContact NH1-OE1 3.98Å; R319-E545 PolarHBondContact NH1-OE1 2.91Å; R319-E545 IonicContact NH1-OE2 2.64Å; R319-E545 PolarHBondContact NH1-OE2 2.82Å; E545-H548 IonicContact OE1-CD2 3.13Å; E545-H548 PolarHBondContact OE1-CD2 2.71Å; E545-H548 IonicContact OE1-CG 2.68Å |
| 546 | I | 93.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -11.6 | -174.2 | 65.6 | 174.8 | 0 | 0 | 0 | 112.9 | G533 T535 I567 K571 I582 | G533-I546 WeakPolarHBondContact O-CG1 3.47Å; G533-I546 PolarHBondContact O-N 3.47Å; T535-I546 HydrophobicContact CG2-CG2 4.09Å; I546-I567 HydrophobicContact CD1-CD1 4.33Å; I546-I567 HydrophobicContact CD1-CG2 4.05Å; I546-I567 HydrophobicContact CG1-CG2 4.32Å; I546-K571 WeakPolarHBondContact CG2-O 3.09Å; I546-I582 HydrophobicContact CD1-CD1 3.91Å; I546-I582 HydrophobicContact CD1-CG1 4Å; I546-I582 HydrophobicContact CD1-CG2 3.69Å |
| 547 | L | 91.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 134.6 | 179.7 | -179.3 | 71.7 | 0 | 0 | 0 | 110.3 | L531 S532 G533 E549 I565 I567 L584 | L531-L547 HydrophobicContact CB-CD2 4.47Å; S532-L547 CarbonylContact C-O 3.55Å; S532-L547 VanDerWaalsContact CA-O 3.29Å; S532-L547 WeakPolarHBondContact CA-O 3.49Å; G533-L547 PolarHBondContact N-O 2.78Å; G533-L547 PolarHBondContact O-N 3.01Å; L547-E549 HydrophobicContact CD1-CG 3.9Å; L547-E549 WeakPolarHBondContact CD1-OE1 3.43Å; L547-I565 HydrophobicContact CD2-CG2 3.72Å; L547-I567 HydrophobicContact CB-CD1 4.31Å; L547-I567 HydrophobicContact CD2-CD1 4.19Å; L547-I567 HydrophobicContact CD2-CG1 4.46Å; L547-L584 HydrophobicContact CD2-CD2 4.3Å |
| 548 | H | 93.1 | Very high | 89.8 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.468 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 106.7 | 174.4 | -177.5 | -94.4 | 0 | 0 | 0 | 109.7 | F317 L531 E545 | F317-H548 AromaticContact CD1-CD2 3.65Å; F317-H548 AromaticContact CD1-NE2 3.42Å; F317-H548 WeakPolarHBondContact CD1-NE2 3.46Å; F317-H548 AromaticContact CD2-NE2 3.9Å; F317-H548 AromaticContact CE1-CD2 3.78Å; F317-H548 AromaticContact CE1-CE1 3.52Å; F317-H548 AromaticContact CE1-NE2 3.15Å; F317-H548 WeakPolarHBondContact CE1-NE2 3.42Å; F317-H548 AromaticContact CE2-NE2 3.65Å; F317-H548 AromaticContact CG-NE2 3.8Å; F317-H548 AromaticContact CZ-CE1 3.59Å; F317-H548 AromaticContact CZ-NE2 3.28Å; F317-H548 VanDerWaalsContact CZ-NE2 3.28Å; F317-H548 WeakPolarHBondContact CZ-NE2 3.28Å; L531-H548 WeakPolarHBondContact O-CA 3.42Å; E545-H548 IonicContact OE1-CD2 3.13Å; E545-H548 PolarHBondContact OE1-CD2 2.71Å; E545-H548 IonicContact OE1-CG 2.68Å |
| 549 | E | 93.4 | Very high | 90.3 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156 | -175.7 | -63.2 | -177.6 | -176 | 0 | 0 | 112 | L531 L547 H551 | L531-E549 HydrophobicContact CB-CB 4.27Å; L531-E549 HydrophobicContact CD1-CB 4.5Å; L531-E549 PolarHBondContact N-O 3.33Å; L531-E549 PolarHBondContact O-N 3.03Å; L547-E549 HydrophobicContact CD1-CG 3.9Å; L547-E549 WeakPolarHBondContact CD1-OE1 3.43Å; E549-H551 IonicContact OE2-CE1 3.18Å; E549-H551 IonicContact OE2-NE2 3.69Å; E549-H551 PolarHBondContact OE2-NE2 2.77Å |
| 550 | S | 93.6 | Very high | 90.8 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 134.5 | 172.9 | -170.6 | 0 | 0 | 0 | 0 | 111 | V529 N530 | V529-S550 CarbonylContact O-C 3.57Å; V529-S550 VanDerWaalsContact O-CA 3.31Å; V529-S550 WeakPolarHBondContact O-CA 3.18Å; N530-S550 WeakPolarHBondContact OD1-CB 3.49Å; N530-S550 PolarHBondContact OD1-OG 3.01Å |
| 551 | H | 92.6 | Very high | 91.2 | Very high | 61 Ų | 61 | 72.4 Ų | 72.4 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.8 | -175.7 | -63.2 | -88.6 | 0 | 0 | 0 | 110.6 | V529 E549 V553 I563 | V529-H551 HydrophobicContact CB-CB 4.36Å; V529-H551 PolarHBondContact N-O 2.8Å; V529-H551 PolarHBondContact O-N 2.89Å; E549-H551 IonicContact OE2-CE1 3.18Å; E549-H551 IonicContact OE2-NE2 3.69Å; E549-H551 PolarHBondContact OE2-NE2 2.77Å; H551-V553 HydrophobicContact CB-CG2 4.25Å; H551-I563 HydrophobicContact CB-CD1 4.34Å |
| 552 | A | 93.3 | Very high | 91.6 | Very high | 101 Ų | 101 | 75.6 Ų | 75.6 | 84% | 0.835 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 111.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 553 | V | 92.7 | Very high | 92 | Very high | 17 Ų | 17 | 74 Ų | 74 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.5 | -174.1 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | V527 V529 H551 L555 K561 I563 | V527-V553 PolarHBondContact N-O 3.35Å; V527-V553 PolarHBondContact O-N 3.23Å; V529-V553 HydrophobicContact CG2-CG2 4.07Å; H551-V553 HydrophobicContact CB-CG2 4.25Å; V553-L555 HydrophobicContact CG1-CD2 3.91Å; V553-L555 HydrophobicContact CG1-CG 4.11Å; V553-K561 HydrophobicContact CG1-CB 4.46Å; V553-K561 HydrophobicContact CG1-CD 3.9Å; V553-I563 HydrophobicContact CG2-CD1 3.72Å; V553-I563 HydrophobicContact CG2-CG1 4.34Å |
| 554 | R | 92.8 | Very high | 92.2 | Very high | 164 Ų | 164 | 75 Ų | 75 | 62% | 0.619 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.2 | 168.3 | -176.1 | 179.2 | 177 | -172.3 | -0.4 | 109 | V524 K561 | V524-R554 HydrophobicContact CG1-CG 3.9Å; R554-K561 VanDerWaalsContact O-CE 3.3Å; R554-K561 WeakPolarHBondContact O-CE 3.23Å; R554-K561 PolarHBondContact O-NZ 2.99Å |
| 555 | L | 91.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120 | 175.5 | -63.6 | 171.6 | 0 | 0 | 0 | 110 | I495 L517 N519 V524 Q525 V527 V553 K561 | I495-L555 HydrophobicContact CG2-CD1 4.2Å; L517-L555 HydrophobicContact CB-CD1 4.24Å; L517-L555 HydrophobicContact CB-CD2 4.48Å; N519-L555 HydrophobicContact CB-CB 3.91Å; N519-L555 HydrophobicContact CB-CD1 4.3Å; V524-L555 WeakPolarHBondContact CA-O 3.17Å; V524-L555 WeakPolarHBondContact CG1-O 3.39Å; Q525-L555 PolarHBondContact N-O 2.81Å; Q525-L555 PolarHBondContact O-N 2.95Å; V527-L555 HydrophobicContact CG2-CD1 3.86Å; V527-L555 HydrophobicContact CG2-CG 4.47Å; V553-L555 HydrophobicContact CG1-CD2 3.91Å; V553-L555 HydrophobicContact CG1-CG 4.11Å; L555-K561 HydrophobicContact CD2-CB 3.78Å; L555-K561 HydrophobicContact CD2-CD 4.05Å; L555-K561 HydrophobicContact CD2-CG 3.84Å |
| 556 | G | 89.1 | Confident | 92.6 | Very high | 18 Ų | 18 | 73.5 Ų | 73.5 | 19% | 0.186 | 37% | 0.365 | C | S | . | . | trans | -66.2 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N519 Q558 E559 | N519-G556 PolarHBondContact ND2-O 3.47Å; G556-Q558 PolarHBondContact O-N 2.89Å; G556-E559 WeakPolarHBondContact CA-OE2 3.32Å; G556-E559 PolarHBondContact N-OE2 3.28Å; G556-E559 PolarHBondContact O-N 2.94Å | ||
| 557 | R | 90.1 | Very high | 92.6 | Very high | 190 Ų | 190 | 73 Ų | 73 | 72% | 0.717 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 121.5 | -178.7 | -53.3 | -177.8 | 177.4 | 168.2 | -0.9 | 109.1 | S522 E559 | S522-R557 WeakPolarHBondContact O-CD 3.18Å; S522-R557 VanDerWaalsContact O-CG 3.25Å; S522-R557 WeakPolarHBondContact O-CG 3.11Å; S522-R557 PolarHBondContact O-NE 2.95Å; R557-E559 PolarHBondContact O-N 3.44Å |
| 558 | Q | 87.2 | Confident | 92.6 | Very high | 155 Ų | 155 | 74.6 Ų | 74.6 | 72% | 0.724 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 22.9 | -178.7 | -62.2 | 177.5 | -26.3 | 0 | 0 | 114.2 | N519 T521 G556 | N519-Q558 VanDerWaalsContact O-CA 3.28Å; N519-Q558 WeakPolarHBondContact O-CA 3.47Å; T521-Q558 PolarHBondContact O-N 2.92Å; G556-Q558 PolarHBondContact O-N 2.89Å |
| 559 | E | 92.4 | Very high | 92.5 | Very high | 76 Ų | 76 | 71.7 Ų | 71.7 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | trans | -82.9 | 140.5 | -179.3 | -170.2 | -175.5 | -170.8 | 0 | 0 | 110.4 | A518 N519 G556 R557 K561 | A518-E559 WeakPolarHBondContact CA-O 3.26Å; N519-E559 PolarHBondContact N-O 2.97Å; G556-E559 WeakPolarHBondContact CA-OE2 3.32Å; G556-E559 PolarHBondContact N-OE2 3.28Å; G556-E559 PolarHBondContact O-N 2.94Å; R557-E559 PolarHBondContact O-N 3.44Å; E559-K561 HydrophobicContact CG-CG 4.32Å; E559-K561 WeakPolarHBondContact OE1-CE 3.41Å; E559-K561 IonicContact OE1-NZ 2.75Å; E559-K561 WeakPolarHBondContact OE2-CE 3.48Å | ||
| 560 | E | 93.1 | Very high | 92.3 | Very high | 99 Ų | 99 | 72.2 Ų | 72.2 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.7 | 166 | -175.1 | -179 | 169.7 | 0 | 0 | 109.2 | K500 C516 L517 A518 | K500-E560 IonicContact NZ-OE1 3.67Å; C516-E560 WeakPolarHBondContact CB-OE1 3.34Å; L517-E560 CarbonylContact O-C 3.54Å; L517-E560 VanDerWaalsContact O-CA 3.31Å; L517-E560 WeakPolarHBondContact O-CA 3.44Å; A518-E560 HydrophobicContact CB-CB 4.21Å; A518-E560 HydrophobicContact CB-CG 4.26Å |
| 561 | K | 94.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 74.1 Ų | 74.1 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 151.6 | 171.5 | -73.3 | -168.7 | 176.2 | 179.5 | 0 | 111.1 | C516 L517 V553 R554 L555 E559 | C516-K561 WeakPolarHBondContact CA-O 3.47Å; L517-K561 PolarHBondContact N-O 3.15Å; L517-K561 PolarHBondContact O-N 2.95Å; V553-K561 HydrophobicContact CG1-CB 4.46Å; V553-K561 HydrophobicContact CG1-CD 3.9Å; R554-K561 VanDerWaalsContact O-CE 3.3Å; R554-K561 WeakPolarHBondContact O-CE 3.23Å; R554-K561 PolarHBondContact O-NZ 2.99Å; L555-K561 HydrophobicContact CD2-CB 3.78Å; L555-K561 HydrophobicContact CD2-CD 4.05Å; L555-K561 HydrophobicContact CD2-CG 3.84Å; E559-K561 HydrophobicContact CG-CG 4.32Å; E559-K561 WeakPolarHBondContact OE1-CE 3.41Å; E559-K561 IonicContact OE1-NZ 2.75Å; E559-K561 WeakPolarHBondContact OE2-CE 3.48Å |
| 562 | R | 94.1 | Very high | 92 | Very high | 156 Ų | 156 | 71.2 Ų | 71.2 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.3 | 177.7 | -59.4 | -174.3 | -178.3 | -165.2 | 4.2 | 109.5 | L515 | L515-R562 WeakPolarHBondContact O-CA 3.31Å |
| 563 | I | 94.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 70.9 Ų | 70.9 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 110 | 172.1 | -51 | 176.6 | 0 | 0 | 0 | 106.6 | A514 L515 L517 V529 H551 V553 | A514-I563 CarbonylContact C-O 3.57Å; A514-I563 VanDerWaalsContact CA-O 3.27Å; A514-I563 WeakPolarHBondContact CA-O 3.43Å; L515-I563 HydrophobicContact CB-CB 4.38Å; L515-I563 HydrophobicContact CD2-CD1 4.32Å; L515-I563 PolarHBondContact N-O 3.05Å; L515-I563 PolarHBondContact O-N 3.29Å; L517-I563 HydrophobicContact CD1-CD1 4.11Å; V529-I563 HydrophobicContact CB-CD1 4.24Å; V529-I563 HydrophobicContact CG1-CD1 4.11Å; V529-I563 HydrophobicContact CG2-CD1 4.09Å; H551-I563 HydrophobicContact CB-CD1 4.34Å; V553-I563 HydrophobicContact CG2-CD1 3.72Å; V553-I563 HydrophobicContact CG2-CG1 4.34Å |
| 564 | P | 94.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 77.4 Ų | 77.4 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.1 | 177.3 | 29.8 | -33.2 | 0 | 0 | 0 | 110 | ||
| 565 | I | 94.5 | Very high | 91 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 126.2 | -179.9 | -59.6 | 166.8 | 0 | 0 | 0 | 107 | F499 L513 L515 L531 L547 I567 | F499-I565 HydrophobicContact CD1-CD1 4.12Å; F499-I565 HydrophobicContact CE1-CD1 3.61Å; L513-I565 HydrophobicContact CB-CB 4.23Å; L513-I565 HydrophobicContact CD1-CG2 4.31Å; L513-I565 PolarHBondContact N-O 3.11Å; L513-I565 PolarHBondContact O-N 3.39Å; L513-I565 VanDerWaalsContact O-O 3.13Å; L515-I565 HydrophobicContact CB-CD1 4.15Å; L531-I565 HydrophobicContact CD1-CD1 3.83Å; L531-I565 HydrophobicContact CD1-CG1 4.01Å; L531-I565 HydrophobicContact CD2-CD1 4.14Å; L547-I565 HydrophobicContact CD2-CG2 3.72Å; I565-I567 HydrophobicContact CG2-CG1 4.19Å |
| 566 | T | 94 | Very high | 90.7 | Very high | 77 Ų | 77 | 74.2 Ų | 74.2 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.8 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 109.2 | L511 R512 | L511-T566 WeakPolarHBondContact O-CA 3.41Å; R512-T566 HydrophobicContact CG-CG2 4.45Å |
| 567 | I | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.3 | 177 | -50.3 | 175.7 | 0 | 0 | 0 | 107.3 | D510 L511 L513 I546 L547 I565 K571 Y572 L584 | D510-I567 CarbonylContact C-O 3.54Å; D510-I567 WeakPolarHBondContact CA-O 2.97Å; L511-I567 HydrophobicContact CB-CB 4.26Å; L511-I567 PolarHBondContact N-O 3.32Å; L511-I567 PolarHBondContact O-N 3.21Å; L513-I567 HydrophobicContact CD1-CD1 4.33Å; I546-I567 HydrophobicContact CD1-CD1 4.33Å; I546-I567 HydrophobicContact CD1-CG2 4.05Å; I546-I567 HydrophobicContact CG1-CG2 4.32Å; L547-I567 HydrophobicContact CB-CD1 4.31Å; L547-I567 HydrophobicContact CD2-CD1 4.19Å; L547-I567 HydrophobicContact CD2-CG1 4.46Å; I565-I567 HydrophobicContact CG2-CG1 4.19Å; I567-K571 HydrophobicContact CG2-CB 4.37Å; I567-Y572 HydrophobicContact CG2-CD1 3.97Å; I567-L584 HydrophobicContact CD1-CD2 3.68Å |
| 568 | S | 92 | Very high | 89.8 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | trans | -71.1 | 146.4 | -178.2 | -176.1 | 0 | 0 | 0 | 0 | 112 | D510 S570 K571 Y572 | D510-S568 WeakPolarHBondContact OD1-CA 3.4Å; D510-S568 WeakPolarHBondContact OD1-CB 3.33Å; D510-S568 PolarHBondContact OD1-OG 3.35Å; S568-S570 PolarHBondContact O-N 3.33Å; S568-K571 WeakPolarHBondContact O-CB 3.28Å; S568-K571 PolarHBondContact O-N 3.07Å; S568-Y572 WeakPolarHBondContact O-CD1 3.43Å | ||
| 569 | Y | 89.3 | Confident | 89.2 | Confident | 40 Ų | 40 | 62 Ų | 62 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -51.1 | -39.1 | 176 | 176.8 | -121.1 | 0 | 0 | 0 | 112.4 | D510 K571 Y572 K573 | D510-Y569 PolarHBondContact OD1-N 3.3Å; Y569-K571 PolarHBondContact O-N 3.14Å; Y569-K571 VanDerWaalsContact O-N 3.1Å; Y569-Y572 VanDerWaalsContact CA-CE1 3.46Å; Y569-Y572 HydrophobicContact CD2-CD2 4.33Å; Y569-Y572 HydrophobicContact CD2-CE1 4.43Å; Y569-Y572 AromaticContact CD2-CE2 3.58Å; Y569-Y572 HydrophobicContact CD2-CE2 3.58Å; Y569-Y572 AromaticContact CD2-CZ 3.65Å; Y569-Y572 HydrophobicContact CE2-CE2 4.05Å; Y569-Y572 PolarHBondContact O-N 2.97Å; Y569-K573 HydrophobicContact CD1-CB 4.35Å; Y569-K573 HydrophobicContact CD2-CB 4.06Å; Y569-K573 HydrophobicContact CE1-CB 3.91Å; Y569-K573 HydrophobicContact CE1-CD 4.26Å; Y569-K573 HydrophobicContact CE2-CB 3.57Å; Y569-K573 HydrophobicContact CG-CB 4.42Å; Y569-K573 VanDerWaalsContact CZ-CB 3.49Å; Y569-K573 WeakPolarHBondContact O-CB 3.29Å; Y569-K573 PolarHBondContact O-N 3.2Å |
| 570 | S | 89.6 | Confident | 88.9 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -23.7 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | S568 | S568-S570 PolarHBondContact O-N 3.33Å |
| 571 | K | 89.8 | Confident | 88.7 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -80.1 | -24 | -178.8 | -69 | -170.5 | 174.4 | -175.1 | 0 | 113.6 | I546 I567 S568 Y569 | I546-K571 WeakPolarHBondContact CG2-O 3.09Å; I567-K571 HydrophobicContact CG2-CB 4.37Å; S568-K571 WeakPolarHBondContact O-CB 3.28Å; S568-K571 PolarHBondContact O-N 3.07Å; Y569-K571 PolarHBondContact O-N 3.14Å; Y569-K571 VanDerWaalsContact O-N 3.1Å |
| 572 | Y | 89.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -121.4 | -10.9 | -175.6 | 67.1 | -101.4 | 0 | 0 | 0 | 113.6 | H509 L511 I567 S568 Y569 E574 D575 L576 I582 L604 | H509-Y572 PolarHBondContact O-OH 3.44Å; L511-Y572 HydrophobicContact CD1-CE1 4.07Å; L511-Y572 HydrophobicContact CG-CE1 3.99Å; I567-Y572 HydrophobicContact CG2-CD1 3.97Å; S568-Y572 WeakPolarHBondContact O-CD1 3.43Å; Y569-Y572 VanDerWaalsContact CA-CE1 3.46Å; Y569-Y572 HydrophobicContact CD2-CD2 4.33Å; Y569-Y572 HydrophobicContact CD2-CE1 4.43Å; Y569-Y572 AromaticContact CD2-CE2 3.58Å; Y569-Y572 HydrophobicContact CD2-CE2 3.58Å; Y569-Y572 AromaticContact CD2-CZ 3.65Å; Y569-Y572 HydrophobicContact CE2-CE2 4.05Å; Y569-Y572 PolarHBondContact O-N 2.97Å; Y572-E574 VanDerWaalsContact C-N 3.26Å; Y572-E574 PolarHBondContact O-N 3.48Å; Y572-D575 PolarHBondContact O-N 3.21Å; Y572-L576 HydrophobicContact CD2-CB 4.47Å; Y572-L576 HydrophobicContact CD2-CD1 4.34Å; Y572-L576 HydrophobicContact CD2-CD2 4.43Å; Y572-L576 HydrophobicContact CE2-CD2 4.47Å; Y572-L576 VanDerWaalsContact O-CB 3.26Å; Y572-L576 WeakPolarHBondContact O-CB 3.39Å; Y572-L576 PolarHBondContact O-N 2.92Å; Y572-I582 HydrophobicContact CD1-CD1 4.38Å; Y572-I582 HydrophobicContact CD2-CD1 4.19Å; Y572-I582 HydrophobicContact CG-CD1 4.09Å; Y572-L604 HydrophobicContact CE2-CD1 3.79Å |
| 573 | K | 86.8 | Confident | 88.5 | Confident | 94 Ų | 94 | 44.3 Ų | 44.3 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -36.6 | -176.2 | 69.4 | 176.1 | -174.9 | 163.2 | 0 | 114.1 | Y569 | Y569-K573 HydrophobicContact CD1-CB 4.35Å; Y569-K573 HydrophobicContact CD2-CB 4.06Å; Y569-K573 HydrophobicContact CE1-CB 3.91Å; Y569-K573 HydrophobicContact CE1-CD 4.26Å; Y569-K573 HydrophobicContact CE2-CB 3.57Å; Y569-K573 HydrophobicContact CG-CB 4.42Å; Y569-K573 VanDerWaalsContact CZ-CB 3.49Å; Y569-K573 WeakPolarHBondContact O-CB 3.29Å; Y569-K573 PolarHBondContact O-N 3.2Å |
| 574 | E | 85.5 | Confident | 88.5 | Confident | 154 Ų | 154 | 43.7 Ų | 43.7 | 72% | 0.72 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -34.9 | -171.8 | -56.8 | -171.8 | 175.2 | 0 | 0 | 111.6 | Y572 | Y572-E574 VanDerWaalsContact C-N 3.26Å; Y572-E574 PolarHBondContact O-N 3.48Å |
| 575 | D | 86.6 | Confident | 88.5 | Confident | 72 Ų | 72 | 39.5 Ų | 39.5 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 7.7 | -177.3 | -56.2 | -65.7 | 0 | 0 | 0 | 113.2 | T535 A544 Y572 T577 | T535-D575 VanDerWaalsContact CB-O 3.27Å; T535-D575 WeakPolarHBondContact CB-O 3.13Å; T535-D575 HydrophobicContact CG2-CB 4.47Å; T535-D575 PolarHBondContact OG1-O 2.8Å; A544-D575 HydrophobicContact CB-CB 3.34Å; A544-D575 WeakPolarHBondContact CB-OD2 3Å; Y572-D575 PolarHBondContact O-N 3.21Å; D575-T577 PolarHBondContact O-N 2.91Å |
| 576 | L | 85.3 | Confident | 88.4 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.131 | 20% | 0.203 | C | C | . | . | trans | -73.3 | 115.8 | 175.4 | -171.3 | 71.3 | 0 | 0 | 0 | 109 | L507 T535 Y572 I582 L604 | L507-L576 HydrophobicContact CD1-CD2 3.49Å; L507-L576 VanDerWaalsContact CD1-CD2 3.49Å; T535-L576 HydrophobicContact CG2-CD1 4.36Å; Y572-L576 HydrophobicContact CD2-CB 4.47Å; Y572-L576 HydrophobicContact CD2-CD1 4.34Å; Y572-L576 HydrophobicContact CD2-CD2 4.43Å; Y572-L576 HydrophobicContact CE2-CD2 4.47Å; Y572-L576 VanDerWaalsContact O-CB 3.26Å; Y572-L576 WeakPolarHBondContact O-CB 3.39Å; Y572-L576 PolarHBondContact O-N 2.92Å; L576-I582 HydrophobicContact CD1-CG1 4.45Å; L576-L604 HydrophobicContact CD1-CD1 4.1Å; L576-L604 HydrophobicContact CD2-CD1 3.61Å | ||
| 577 | T | 82.1 | Confident | 88.3 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | trans | -75.1 | 168.9 | 177.4 | 63.5 | 0 | 0 | 0 | 0 | 112 | I536 L537 V543 D575 D579 K580 | I536-T577 PolarHBondContact O-OG1 2.94Å; L537-T577 HydrophobicContact CD2-CG2 3.75Å; V543-T577 HydrophobicContact CB-CG2 4.33Å; V543-T577 HydrophobicContact CG1-CG2 4.22Å; V543-T577 HydrophobicContact CG2-CG2 3.74Å; D575-T577 PolarHBondContact O-N 2.91Å; T577-D579 PolarHBondContact O-N 2.83Å; T577-K580 PolarHBondContact O-N 2.81Å | ||
| 578 | E | 76.9 | Confident | 88.2 | Confident | 70 Ų | 70 | 35.7 Ų | 35.7 | 33% | 0.327 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.4 | 175.2 | -59.2 | 176.3 | -177.9 | 0 | 0 | 113.7 | S247 L249 K580 P692 | S247-E578 PolarHBondContact OG-OE2 2.93Å; L249-E578 HydrophobicContact CD1-CB 3.24Å; L249-E578 HydrophobicContact CD1-CG 4.34Å; L249-E578 WeakPolarHBondContact CD1-OE2 3.02Å; E578-K580 PolarHBondContact O-N 2.91Å; E578-P692 HydrophobicContact CB-CB 4.02Å; E578-P692 HydrophobicContact CG-CB 4.16Å |
| 579 | D | 76.1 | Confident | 88.1 | Confident | 14 Ų | 14 | 36 Ų | 36 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -16.4 | 174 | -72.5 | -50.6 | 0 | 0 | 0 | 113.5 | L537 Y538 T577 K581 | L537-D579 WeakPolarHBondContact CA-OD2 3.47Å; Y538-D579 PolarHBondContact N-OD2 2.75Å; T577-D579 PolarHBondContact O-N 2.83Å; D579-K581 HydrophobicContact CB-CB 4.46Å; D579-K581 HydrophobicContact CB-CD 4.21Å; D579-K581 HydrophobicContact CB-CG 4.38Å; D579-K581 WeakPolarHBondContact O-CG 3.15Å; D579-K581 PolarHBondContact O-N 2.98Å |
| 580 | K | 85.9 | Confident | 88 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | trans | 54.3 | 37.5 | -179.4 | -56.5 | 174 | -163.6 | 180 | 0 | 112.9 | T577 E578 T603 L604 D606 P692 D693 | T577-K580 PolarHBondContact O-N 2.81Å; E578-K580 PolarHBondContact O-N 2.91Å; K580-T603 WeakPolarHBondContact O-CA 3.11Å; K580-L604 HydrophobicContact CB-CB 4.15Å; K580-L604 PolarHBondContact O-N 3.17Å; K580-D606 IonicContact NZ-OD2 3.68Å; K580-D606 PolarHBondContact NZ-OD2 2.89Å; K580-P692 HydrophobicContact CD-CG 4.41Å; K580-P692 VanDerWaalsContact CE-O 3.32Å; K580-P692 WeakPolarHBondContact CE-O 3.49Å; K580-P692 HydrophobicContact CG-CG 4.01Å; K580-P692 PolarHBondContact NZ-O 2.98Å; K580-D693 PolarHBondContact NZ-O 2.93Å | ||
| 581 | K | 87.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.2 | -173.5 | -77.4 | 172.5 | -173.5 | -65.3 | 0 | 113.6 | G167 I536 D579 I602 T603 | G167-K581 PolarHBondContact O-NZ 3.15Å; G167-K581 VanDerWaalsContact O-NZ 3.11Å; I536-K581 HydrophobicContact CD1-CB 4.12Å; I536-K581 HydrophobicContact CG1-CB 3.71Å; I536-K581 PolarHBondContact N-O 2.63Å; D579-K581 HydrophobicContact CB-CB 4.46Å; D579-K581 HydrophobicContact CB-CD 4.21Å; D579-K581 HydrophobicContact CB-CG 4.38Å; D579-K581 WeakPolarHBondContact O-CG 3.15Å; D579-K581 PolarHBondContact O-N 2.98Å; K581-I602 VanDerWaalsContact CA-O 3.31Å; K581-I602 WeakPolarHBondContact CA-O 3.45Å; K581-T603 HydrophobicContact CG-CG2 4.46Å; K581-T603 PolarHBondContact NZ-OG1 3.3Å |
| 582 | I | 92.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.7 | 175.4 | -69.5 | 164.1 | 0 | 0 | 0 | 108.5 | L511 A534 T535 I546 Y572 L576 L584 I602 | L511-I582 HydrophobicContact CD1-CD1 3.48Å; L511-I582 VanDerWaalsContact CD1-CD1 3.48Å; A534-I582 CarbonylContact O-C 3.58Å; A534-I582 WeakPolarHBondContact O-CA 3.46Å; T535-I582 HydrophobicContact CG2-CG1 4.2Å; I546-I582 HydrophobicContact CD1-CD1 3.91Å; I546-I582 HydrophobicContact CD1-CG1 4Å; I546-I582 HydrophobicContact CD1-CG2 3.69Å; Y572-I582 HydrophobicContact CD1-CD1 4.38Å; Y572-I582 HydrophobicContact CD2-CD1 4.19Å; Y572-I582 HydrophobicContact CG-CD1 4.09Å; L576-I582 HydrophobicContact CD1-CG1 4.45Å; I582-L584 HydrophobicContact CG2-CD2 4.13Å; I582-L584 HydrophobicContact CG2-CG 4.44Å; I582-I602 HydrophobicContact CB-CB 4.4Å; I582-I602 PolarHBondContact N-O 3.46Å; I582-I602 PolarHBondContact O-N 2.7Å |
| 583 | L | 92.3 | Very high | 85.5 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.9 | 172.3 | 175.3 | 61.7 | 0 | 0 | 0 | 109.2 | G533 A534 I536 E599 D601 | G533-L583 VanDerWaalsContact CA-O 3.31Å; G533-L583 WeakPolarHBondContact CA-O 3.38Å; A534-L583 PolarHBondContact N-O 2.86Å; A534-L583 PolarHBondContact O-N 2.9Å; I536-L583 HydrophobicContact CD1-CB 3.89Å; I536-L583 HydrophobicContact CG1-CB 4.18Å; I536-L583 HydrophobicContact CG2-CB 3.71Å; I536-L583 HydrophobicContact CG2-CD2 4.47Å; L583-E599 HydrophobicContact CD1-CB 4.3Å; L583-D601 WeakPolarHBondContact CD1-OD1 3.44Å |
| 584 | L | 93.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.8 | 167.9 | -59 | 179.5 | 0 | 0 | 0 | 110.1 | F499 L513 L547 I567 I582 E599 K600 I602 | F499-L584 HydrophobicContact CD1-CD1 4.43Å; F499-L584 HydrophobicContact CE1-CB 4.28Å; F499-L584 HydrophobicContact CE1-CD1 4.42Å; F499-L584 HydrophobicContact CE2-CB 4.15Å; F499-L584 HydrophobicContact CZ-CB 3.95Å; L513-L584 HydrophobicContact CD1-CD1 3.54Å; L513-L584 HydrophobicContact CD2-CD1 4.12Å; L513-L584 HydrophobicContact CG-CD1 4.38Å; L547-L584 HydrophobicContact CD2-CD2 4.3Å; I567-L584 HydrophobicContact CD1-CD2 3.68Å; I582-L584 HydrophobicContact CG2-CD2 4.13Å; I582-L584 HydrophobicContact CG2-CG 4.44Å; L584-E599 CarbonylContact O-C 3.6Å; L584-E599 VanDerWaalsContact O-CA 3.27Å; L584-E599 WeakPolarHBondContact O-CA 3.44Å; L584-K600 PolarHBondContact N-O 3.46Å; L584-K600 PolarHBondContact O-N 3.21Å; L584-I602 HydrophobicContact CD1-CD1 3.57Å; L584-I602 HydrophobicContact CG-CD1 4.03Å |
| 585 | A | 93.8 | Very high | 85.3 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G318 L531 S532 L597 V598 | G318-A585 WeakPolarHBondContact O-CB 2.93Å; L531-A585 WeakPolarHBondContact CA-O 3.3Å; S532-A585 PolarHBondContact N-O 2.71Å; S532-A585 PolarHBondContact O-N 2.9Å; A585-L597 HydrophobicContact CB-CD1 4.24Å; A585-V598 CarbonylContact C-O 3.54Å; A585-V598 WeakPolarHBondContact CA-O 3.14Å |
| 586 | A | 93.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 110.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F499 L515 V529 N530 L531 L597 V598 | F499-A586 HydrophobicContact CE2-CB 4.09Å; F499-A586 HydrophobicContact CZ-CB 3.68Å; L515-A586 HydrophobicContact CD1-CB 4.35Å; L515-A586 HydrophobicContact CD2-CB 3.68Å; V529-A586 HydrophobicContact CG1-CB 4.46Å; N530-A586 CarbonylContact O-C 3.55Å; N530-A586 WeakPolarHBondContact O-CA 3.27Å; L531-A586 HydrophobicContact CD2-CB 3.5Å; A586-L597 WeakPolarHBondContact O-CA 3.39Å; A586-V598 HydrophobicContact CB-CB 4.26Å; A586-V598 PolarHBondContact N-O 2.86Å; A586-V598 PolarHBondContact O-N 3.23Å |
| 587 | M | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 112.2 | 169.9 | -176.2 | 58.3 | 72 | 0 | 0 | 109.3 | V314 S316 L403 V413 N530 L589 L597 | V314-M587 HydrophobicContact CG2-CE 3.64Å; S316-M587 WeakPolarHBondContact O-CB 3.49Å; S316-M587 WeakPolarHBondContact O-CG 2.94Å; L403-M587 HydrophobicContact CD1-CE 4.39Å; V413-M587 HydrophobicContact CG2-CE 4.35Å; N530-M587 HydrophobicContact CB-CB 4.43Å; N530-M587 PolarHBondContact N-O 3.23Å; N530-M587 PolarHBondContact O-N 2.82Å; M587-L589 HydrophobicContact CG-CD2 3.96Å; M587-L589 HydrophobicContact CG-CG 4.26Å; M587-L589 HydrophobicContact SD-CD2 4.29Å; M587-L597 HydrophobicContact CE-CB 4.18Å; M587-L597 HydrophobicContact CE-CD1 4.11Å |
| 588 | C | 91.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.9 | 179.1 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | I495 V527 R528 K595 L596 | I495-C588 HydrophobicContact CD1-CB 3.83Å; V527-C588 HydrophobicContact CG1-CB 3.86Å; R528-C588 CarbonylContact O-C 3.58Å; R528-C588 WeakPolarHBondContact O-CA 3.12Å; C588-K595 CarbonylContact O-C 3.59Å; C588-K595 WeakPolarHBondContact O-CA 3.43Å; C588-L596 HydrophobicContact CB-CB 4.14Å; C588-L596 WeakPolarHBondContact CB-O 3.47Å; C588-L596 PolarHBondContact N-O 2.88Å; C588-L596 PolarHBondContact O-N 2.73Å |
| 589 | L | 89.3 | Confident | 86.6 | Confident | 44 Ų | 44 | 28.3 Ų | 28.3 | 23% | 0.23 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.5 | 179.7 | -55.9 | 173.4 | 0 | 0 | 0 | 109.4 | V527 R528 M587 K595 | V527-L589 WeakPolarHBondContact CA-O 3.41Å; R528-L589 HydrophobicContact CB-CB 4.39Å; R528-L589 PolarHBondContact N-O 2.92Å; R528-L589 PolarHBondContact O-N 3.2Å; M587-L589 HydrophobicContact CG-CD2 3.96Å; M587-L589 HydrophobicContact CG-CG 4.26Å; M587-L589 HydrophobicContact SD-CD2 4.29Å; L589-K595 HydrophobicContact CD2-CB 4.46Å; L589-K595 HydrophobicContact CD2-CD 4Å; L589-K595 HydrophobicContact CD2-CG 3.8Å |
| 590 | V | 86.8 | Confident | 87.3 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 146.2 | 177.7 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | I495 Q525 V527 K592 G593 E594 | I495-V590 HydrophobicContact CD1-CG2 3.63Å; I495-V590 HydrophobicContact CG1-CG2 4Å; I495-V590 HydrophobicContact CG2-CG2 4.43Å; Q525-V590 HydrophobicContact CB-CG1 4.48Å; V527-V590 HydrophobicContact CG2-CG2 4.28Å; V590-K592 PolarHBondContact O-N 3.28Å; V590-G593 PolarHBondContact O-N 3.33Å; V590-E594 HydrophobicContact CB-CB 4.09Å; V590-E594 WeakPolarHBondContact CB-O 3.33Å; V590-E594 HydrophobicContact CG2-CB 4.26Å; V590-E594 PolarHBondContact N-O 3.35Å |
| 591 | T | 74.8 | Confident | 87.4 | Confident | 102 Ų | 102 | 30.8 Ų | 30.8 | 63% | 0.626 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -11.4 | -174.1 | -4 | 0 | 0 | 0 | 0 | 115.6 | Q526 | Q526-T591 WeakPolarHBondContact CB-OG1 3.34Å; Q526-T591 PolarHBondContact O-N 3.43Å; Q526-T591 PolarHBondContact O-OG1 2.79Å |
| 592 | K | 67.6 | Low | 87.5 | Confident | 137 Ų | 137 | 30.7 Ų | 30.7 | 60% | 0.596 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 10.7 | 177.6 | -68.3 | -174.2 | 174.6 | -173.4 | 0 | 114.2 | V590 E594 | V590-K592 PolarHBondContact O-N 3.28Å; K592-E594 VanDerWaalsContact C-N 3.31Å |
| 593 | G | 74.3 | Confident | 87.2 | Confident | 44 Ų | 44 | 31.7 Ų | 31.7 | 45% | 0.454 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 87.9 | -8.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V590 K595 | V590-G593 PolarHBondContact O-N 3.33Å; G593-K595 WeakPolarHBondContact O-CG 3.2Å; G593-K595 PolarHBondContact O-NZ 3.41Å |
| 594 | E | 82.8 | Confident | 86.8 | Confident | 68 Ų | 68 | 30.9 Ų | 30.9 | 32% | 0.318 | 17% | 0.167 | S | C | . | . | trans | -65 | 140.9 | 173.2 | -61.5 | 177.6 | -157.4 | 0 | 0 | 111.2 | S494 V590 K592 | S494-E594 WeakPolarHBondContact CB-OE2 3.13Å; S494-E594 PolarHBondContact N-OE2 2.96Å; S494-E594 PolarHBondContact OG-OE2 2.74Å; V590-E594 HydrophobicContact CB-CB 4.09Å; V590-E594 WeakPolarHBondContact CB-O 3.33Å; V590-E594 HydrophobicContact CG2-CB 4.26Å; V590-E594 PolarHBondContact N-O 3.35Å; K592-E594 VanDerWaalsContact C-N 3.31Å | ||
| 595 | K | 85.6 | Confident | 86 | Confident | 36 Ų | 36 | 32.8 Ų | 32.8 | 16% | 0.157 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.1 | -176.8 | -55.9 | 179.2 | -176.3 | 64.1 | 0 | 110.1 | L403 E411 V413 C588 L589 G593 | L403-K595 HydrophobicContact CD2-CD 3.73Å; E411-K595 IonicContact OE1-NZ 3.7Å; E411-K595 PolarHBondContact OE1-NZ 2.91Å; E411-K595 VanDerWaalsContact OE2-CE 3.24Å; E411-K595 WeakPolarHBondContact OE2-CE 3.25Å; E411-K595 IonicContact OE2-NZ 3.54Å; E411-K595 PolarHBondContact OE2-NZ 2.84Å; V413-K595 HydrophobicContact CG1-CB 4.04Å; V413-K595 HydrophobicContact CG2-CD 4.36Å; C588-K595 CarbonylContact O-C 3.59Å; C588-K595 WeakPolarHBondContact O-CA 3.43Å; L589-K595 HydrophobicContact CD2-CB 4.46Å; L589-K595 HydrophobicContact CD2-CD 4Å; L589-K595 HydrophobicContact CD2-CG 3.8Å; G593-K595 WeakPolarHBondContact O-CG 3.2Å; G593-K595 PolarHBondContact O-NZ 3.41Å |
| 596 | L | 87.3 | Confident | 84.9 | Confident | 26 Ų | 26 | 34 Ų | 34 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 119.1 | 174.6 | 172 | 70 | 0 | 0 | 0 | 108.8 | I495 C588 V598 | I495-L596 HydrophobicContact CD1-CB 4.25Å; I495-L596 HydrophobicContact CD1-CD2 4.12Å; I495-L596 HydrophobicContact CG1-CB 4.35Å; I495-L596 HydrophobicContact CG1-CD2 4.02Å; C588-L596 HydrophobicContact CB-CB 4.14Å; C588-L596 WeakPolarHBondContact CB-O 3.47Å; C588-L596 PolarHBondContact N-O 2.88Å; C588-L596 PolarHBondContact O-N 2.73Å; L596-V598 HydrophobicContact CD2-CG2 3.92Å; L596-V598 HydrophobicContact CG-CG2 3.92Å |
| 597 | L | 88.9 | Confident | 83.7 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.3 | 166.7 | 179.9 | 64.1 | 0 | 0 | 0 | 109.2 | V314 T401 V413 A585 A586 M587 E599 | V314-L597 HydrophobicContact CG1-CD2 4.25Å; T401-L597 HydrophobicContact CG2-CD2 3.7Å; V413-L597 HydrophobicContact CG1-CB 4.24Å; A585-L597 HydrophobicContact CB-CD1 4.24Å; A586-L597 WeakPolarHBondContact O-CA 3.39Å; M587-L597 HydrophobicContact CE-CB 4.18Å; M587-L597 HydrophobicContact CE-CD1 4.11Å; L597-E599 HydrophobicContact CD1-CG 4.35Å; L597-E599 HydrophobicContact CD2-CG 4.06Å; L597-E599 HydrophobicContact CG-CG 3.97Å |
| 598 | V | 90.4 | Very high | 83.3 | Confident | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.3 | 170.9 | -171.1 | 0 | 0 | 0 | 0 | 107.9 | F499 L515 A585 A586 L596 | F499-V598 HydrophobicContact CD2-CB 4.47Å; F499-V598 HydrophobicContact CD2-CG1 3.73Å; F499-V598 HydrophobicContact CE2-CB 4.21Å; F499-V598 HydrophobicContact CE2-CG1 3.96Å; F499-V598 WeakPolarHBondContact CE2-O 3.27Å; L515-V598 HydrophobicContact CD1-CB 4.43Å; L515-V598 HydrophobicContact CD1-CG1 4.23Å; A585-V598 CarbonylContact C-O 3.54Å; A585-V598 WeakPolarHBondContact CA-O 3.14Å; A586-V598 HydrophobicContact CB-CB 4.26Å; A586-V598 PolarHBondContact N-O 2.86Å; A586-V598 PolarHBondContact O-N 3.23Å; L596-V598 HydrophobicContact CD2-CG2 3.92Å; L596-V598 HydrophobicContact CG-CG2 3.92Å |
| 599 | E | 91.4 | Very high | 83.2 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150.3 | 178.7 | -60.8 | -179.4 | 114.4 | 0 | 0 | 111.1 | K312 K419 L583 L584 L597 | K312-E599 IonicContact NZ-OE1 2.63Å; K312-E599 PolarHBondContact NZ-OE1 2.91Å; K419-E599 IonicContact NZ-OE2 3.89Å; K419-E599 PolarHBondContact NZ-OE2 2.84Å; L583-E599 HydrophobicContact CD1-CB 4.3Å; L584-E599 CarbonylContact O-C 3.6Å; L584-E599 VanDerWaalsContact O-CA 3.27Å; L584-E599 WeakPolarHBondContact O-CA 3.44Å; L597-E599 HydrophobicContact CD1-CG 4.35Å; L597-E599 HydrophobicContact CD2-CG 4.06Å; L597-E599 HydrophobicContact CG-CG 3.97Å |
| 600 | K | 90.6 | Very high | 83.3 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 22% | 0.222 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 115.3 | 173.5 | 179.8 | 66.4 | 177.6 | 161.8 | 0 | 110.8 | F499 L584 I602 | F499-K600 HydrophobicContact CB-CB 3.68Å; F499-K600 HydrophobicContact CB-CD 4.47Å; F499-K600 HydrophobicContact CB-CG 3.85Å; F499-K600 HydrophobicContact CD2-CB 3.49Å; F499-K600 VanDerWaalsContact CD2-CB 3.49Å; F499-K600 HydrophobicContact CE2-CB 4.33Å; F499-K600 HydrophobicContact CG-CB 3.82Å; F499-K600 HydrophobicContact CG-CG 4.46Å; L584-K600 PolarHBondContact N-O 3.46Å; L584-K600 PolarHBondContact O-N 3.21Å; K600-I602 HydrophobicContact CG-CG1 4.18Å |
| 601 | D | 89.4 | Confident | 83.5 | Confident | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 132 | 164.6 | -53.9 | -78.1 | 0 | 0 | 0 | 109.7 | V168 R540 L583 | V168-D601 HydrophobicContact CG1-CB 4.08Å; R540-D601 IonicContact CZ-OD1 2.94Å; R540-D601 IonicContact CZ-OD2 2.63Å; R540-D601 IonicContact NH1-OD1 2.91Å; R540-D601 IonicContact NH1-OD2 3.35Å; R540-D601 PolarHBondContact NH1-OD2 3Å; R540-D601 IonicContact NH2-OD1 3.68Å; R540-D601 IonicContact NH2-OD2 3.9Å; R540-D601 PolarHBondContact NH2-OD2 2.69Å; L583-D601 WeakPolarHBondContact CD1-OD1 3.44Å |
| 602 | I | 88.5 | Confident | 84.3 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.6 | 174.6 | -58.2 | 169.6 | 0 | 0 | 0 | 106.7 | P505 L513 K581 I582 L584 K600 L604 | P505-I602 HydrophobicContact CB-CG2 3.58Å; P505-I602 HydrophobicContact CG-CG2 3.99Å; L513-I602 HydrophobicContact CD1-CD1 4.11Å; L513-I602 HydrophobicContact CD2-CD1 3.54Å; L513-I602 HydrophobicContact CD2-CG1 4.49Å; L513-I602 HydrophobicContact CG-CD1 4.45Å; K581-I602 VanDerWaalsContact CA-O 3.31Å; K581-I602 WeakPolarHBondContact CA-O 3.45Å; I582-I602 HydrophobicContact CB-CB 4.4Å; I582-I602 PolarHBondContact N-O 3.46Å; I582-I602 PolarHBondContact O-N 2.7Å; L584-I602 HydrophobicContact CD1-CD1 3.57Å; L584-I602 HydrophobicContact CG-CD1 4.03Å; K600-I602 HydrophobicContact CG-CG1 4.18Å; I602-L604 HydrophobicContact CG2-CD2 4.29Å |
| 603 | T | 86.8 | Confident | 85.5 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.6 | 172 | -59.6 | 0 | 0 | 0 | 0 | 106.9 | K580 K581 | K580-T603 WeakPolarHBondContact O-CA 3.11Å; K581-T603 HydrophobicContact CG-CG2 4.46Å; K581-T603 PolarHBondContact NZ-OG1 3.3Å |
| 604 | L | 84.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -73 | 142.1 | -177.9 | -51.3 | -177.8 | 0 | 0 | 0 | 110.5 | R173 P505 L507 L511 Y572 L576 K580 I602 | R173-L604 PolarHBondContact NH2-O 2.99Å; P505-L604 HydrophobicContact CB-CD2 3.97Å; P505-L604 CarbonylContact O-C 3.56Å; P505-L604 VanDerWaalsContact O-CA 3.23Å; P505-L604 WeakPolarHBondContact O-CA 3.35Å; L507-L604 HydrophobicContact CB-CB 4.39Å; L507-L604 HydrophobicContact CD1-CD1 3.72Å; L511-L604 HydrophobicContact CD1-CD2 4.37Å; L511-L604 HydrophobicContact CD2-CD2 3.75Å; Y572-L604 HydrophobicContact CE2-CD1 3.79Å; L576-L604 HydrophobicContact CD1-CD1 4.1Å; L576-L604 HydrophobicContact CD2-CD1 3.61Å; K580-L604 HydrophobicContact CB-CB 4.15Å; K580-L604 PolarHBondContact O-N 3.17Å; I602-L604 HydrophobicContact CG2-CD2 4.29Å | ||
| 605 | E | 75.4 | Confident | 86.5 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -89.7 | 142.8 | 179.9 | -68 | -177 | -177.3 | 0 | 0 | 112 | H171 P505 M506 L507 F607 | H171-E605 IonicContact CE1-OE1 3.13Å; H171-E605 PolarHBondContact CE1-OE1 3.4Å; H171-E605 IonicContact NE2-OE1 2.68Å; P505-E605 PolarHBondContact O-N 3.49Å; M506-E605 HydrophobicContact SD-CB 3.98Å; L507-E605 PolarHBondContact N-O 3.16Å; E605-F607 HydrophobicContact CB-CE2 4.3Å; E605-F607 HydrophobicContact CB-CZ 4.18Å |
| 606 | D | 71.1 | Confident | 86.8 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | trans | -143.6 | 144.8 | 178.5 | 53.8 | -14.8 | 0 | 0 | 0 | 108.9 | R173 K580 I694 | R173-D606 IonicContact CZ-OD1 3.83Å; R173-D606 IonicContact NH1-OD1 3.56Å; R173-D606 PolarHBondContact NH1-OD1 2.79Å; K580-D606 IonicContact NZ-OD2 3.68Å; K580-D606 PolarHBondContact NZ-OD2 2.89Å; D606-I694 HydrophobicContact CB-CD1 3.98Å; D606-I694 HydrophobicContact CB-CG1 4Å; D606-I694 HydrophobicContact CB-CG2 4.12Å | ||
| 607 | F | 69.3 | Low | 87 | Confident | 121 Ų | 121 | 45.4 Ų | 45.4 | 53% | 0.531 | 25% | 0.246 | S | C | . | . | trans | -130.3 | 125.7 | -173.2 | -60.1 | -74.8 | 0 | 0 | 0 | 111.6 | M506 E605 | M506-F607 HydrophobicContact CE-CD2 4.01Å; M506-F607 HydrophobicContact CE-CE2 3.68Å; M506-F607 HydrophobicContact SD-CE2 3.78Å; E605-F607 HydrophobicContact CB-CE2 4.3Å; E605-F607 HydrophobicContact CB-CZ 4.18Å | ||
| 608 | I | 84 | Confident | 87.2 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 14% | 0.138 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133 | 164.9 | -174 | 166.6 | 0 | 0 | 0 | 107.7 | V626 V628 L641 V684 I694 | I608-V626 HydrophobicContact CD1-CG1 3.79Å; I608-V626 HydrophobicContact CG1-CG1 3.81Å; I608-V628 HydrophobicContact CD1-CG1 4.1Å; I608-V628 HydrophobicContact CG1-CG1 4.01Å; I608-L641 HydrophobicContact CD1-CD2 4.28Å; I608-V684 HydrophobicContact CD1-CB 4.23Å; I608-V684 HydrophobicContact CD1-CG1 3.73Å; I608-I694 HydrophobicContact CB-CG2 3.98Å; I608-I694 HydrophobicContact CG2-CG2 4.03Å |
| 609 | T | 87.6 | Confident | 87.2 | Confident | 69 Ų | 69 | 48 Ų | 48 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127 | 178 | -56 | 0 | 0 | 0 | 0 | 109 | K611 V626 T627 | T609-K611 HydrophobicContact CG2-CG 4.28Å; T609-V626 CarbonylContact O-C 3.59Å; T609-V626 WeakPolarHBondContact O-CA 3.32Å; T609-T627 PolarHBondContact N-O 3.4Å; T609-T627 PolarHBondContact O-N 3.33Å |
| 610 | I | 91.3 | Very high | 87.2 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.9 | 178.5 | -51.3 | 163 | 0 | 0 | 0 | 107.8 | V624 V626 V684 V698 | I610-V624 HydrophobicContact CG2-CG1 3.73Å; I610-V626 HydrophobicContact CG1-CG2 4.38Å; I610-V626 HydrophobicContact CG2-CG2 4.3Å; I610-V684 HydrophobicContact CD1-CB 3.75Å; I610-V684 HydrophobicContact CD1-CG2 3.64Å; I610-V684 HydrophobicContact CG1-CB 4.24Å; I610-V684 HydrophobicContact CG1-CG2 4.06Å; I610-V684 HydrophobicContact CG2-CG2 4.44Å; I610-V698 HydrophobicContact CB-CB 4.4Å; I610-V698 HydrophobicContact CB-CG1 4.27Å; I610-V698 HydrophobicContact CG2-CB 4.26Å; I610-V698 HydrophobicContact CG2-CG1 3.61Å |
| 611 | K | 92.4 | Very high | 87.3 | Confident | 108 Ų | 108 | 49.8 Ų | 49.8 | 47% | 0.47 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.5 | 178.1 | -67.5 | 179.6 | -175.8 | 169.3 | 0 | 110.1 | T609 L613 V624 E625 | T609-K611 HydrophobicContact CG2-CG 4.28Å; K611-L613 HydrophobicContact CB-CD2 4.38Å; K611-V624 CarbonylContact O-C 3.49Å; K611-V624 WeakPolarHBondContact O-CA 3.21Å; K611-E625 HydrophobicContact CB-CB 4.42Å; K611-E625 PolarHBondContact N-O 3.24Å; K611-E625 PolarHBondContact O-N 2.87Å |
| 612 | V | 91.9 | Very high | 87.5 | Confident | 42 Ų | 42 | 49 Ų | 49 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121 | 173 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | G614 V622 V624 V698 I700 | V612-G614 VanDerWaalsContact C-N 3.33Å; V612-G614 PolarHBondContact O-N 3.17Å; V612-V622 HydrophobicContact CG1-CG1 4.45Å; V612-V622 HydrophobicContact CG1-CG2 3.58Å; V612-V624 HydrophobicContact CG2-CG2 4.49Å; V612-V698 HydrophobicContact CG2-CG1 4.39Å; V612-I700 HydrophobicContact CG1-CG2 4.35Å; V612-I700 HydrophobicContact CG2-CD1 3.55Å; V612-I700 HydrophobicContact CG2-CG1 3.78Å; V612-I700 HydrophobicContact CG2-CG2 4.43Å |
| 613 | L | 91.7 | Very high | 87.8 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | trans | -94.1 | 54.5 | -172.5 | -57 | -175 | 0 | 0 | 0 | 111.7 | K611 T623 E625 | K611-L613 HydrophobicContact CB-CD2 4.38Å; L613-T623 HydrophobicContact CD1-CG2 4.27Å; L613-T623 PolarHBondContact N-O 2.98Å; L613-E625 HydrophobicContact CD1-CB 3.99Å; L613-E625 HydrophobicContact CD2-CB 4.4Å; L613-E625 HydrophobicContact CG-CB 4.16Å | ||
| 614 | G | 88.8 | Confident | 88.2 | Confident | 38 Ų | 38 | 50 Ų | 50 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 151.4 | 171.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V612 | V612-G614 VanDerWaalsContact C-N 3.33Å; V612-G614 PolarHBondContact O-N 3.17Å |
| 615 | P | 89.3 | Confident | 88.7 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 71% | 0.714 | 31% | 0.307 | S | S | * | . | trans | -70.6 | 134.9 | 171.9 | 30.2 | -32.9 | 0 | 0 | 0 | 110.5 | ||||
| 616 | A | 92.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | V622 P674 I700 V702 A703 | A616-V622 HydrophobicContact CB-CG1 4.27Å; A616-P674 HydrophobicContact CB-CG 4.29Å; A616-I700 HydrophobicContact CB-CG2 3.51Å; A616-V702 HydrophobicContact CB-CG2 4.12Å; A616-A703 PolarHBondContact O-N 2.79Å |
| 617 | M | 92.3 | Very high | 90.5 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 37% | 0.365 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.3 | 175.8 | -70 | -176 | -73.5 | 0 | 0 | 110 | G619 V620 A703 | M617-G619 PolarHBondContact O-N 3.34Å; M617-V620 HydrophobicContact CB-CB 4.12Å; M617-V620 HydrophobicContact CB-CG2 4.01Å; M617-V620 HydrophobicContact CE-CG2 4.42Å; M617-V620 PolarHBondContact O-N 3.28Å; M617-V620 VanDerWaalsContact O-N 3.11Å; M617-A703 WeakPolarHBondContact CA-O 3.3Å; M617-A703 HydrophobicContact CG-CB 4.16Å |
| 618 | V | 92.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 22% | 0.218 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 130 | 176.6 | 177 | 0 | 0 | 0 | 0 | 110.2 | V620 P674 V702 A703 A705 | V618-V620 PolarHBondContact O-N 2.8Å; V618-P674 CarbonylContact C-O 3.15Å; V618-P674 WeakPolarHBondContact CA-O 3.11Å; V618-V702 HydrophobicContact CG2-CG1 3.78Å; V618-A703 PolarHBondContact N-O 3.26Å; V618-A705 HydrophobicContact CB-CB 4.44Å |
| 619 | G | 90.6 | Very high | 91.4 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 0.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M617 P674 | M617-G619 PolarHBondContact O-N 3.34Å; G619-P674 PolarHBondContact N-O 2.76Å |
| 620 | V | 92 | Very high | 91.4 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -110.4 | 125.2 | 179.4 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | M617 V618 V622 P674 | M617-V620 HydrophobicContact CB-CB 4.12Å; M617-V620 HydrophobicContact CB-CG2 4.01Å; M617-V620 HydrophobicContact CE-CG2 4.42Å; M617-V620 PolarHBondContact O-N 3.28Å; M617-V620 VanDerWaalsContact O-N 3.11Å; V618-V620 PolarHBondContact O-N 2.8Å; V620-V622 PolarHBondContact O-N 3.13Å; V620-P674 WeakPolarHBondContact O-CD 3.22Å |
| 621 | A | 92.5 | Very high | 90.7 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 50% | 0.496 | 26% | 0.256 | S | S | . | . | trans | -63 | 135.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | I672 | A621-I672 CarbonylContact C-O 3.59Å; A621-I672 WeakPolarHBondContact CA-O 3.45Å | ||
| 622 | V | 93.8 | Very high | 90.3 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.8 | 173.8 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | V612 A616 V620 I672 | V612-V622 HydrophobicContact CG1-CG1 4.45Å; V612-V622 HydrophobicContact CG1-CG2 3.58Å; A616-V622 HydrophobicContact CB-CG1 4.27Å; V620-V622 PolarHBondContact O-N 3.13Å; V622-I672 HydrophobicContact CG1-CD1 4.11Å; V622-I672 HydrophobicContact CG1-CG1 3.57Å; V622-I672 PolarHBondContact N-O 3.42Å; V622-I672 PolarHBondContact O-N 3.15Å |
| 623 | T | 95 | Very high | 89.8 | Confident | 43 Ų | 43 | 38.9 Ų | 38.9 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 133.9 | -179.6 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | L613 Q669 D671 | L613-T623 HydrophobicContact CD1-CG2 4.27Å; L613-T623 PolarHBondContact N-O 2.98Å; T623-Q669 HydrophobicContact CG2-CB 4.15Å; T623-D671 WeakPolarHBondContact CA-OD1 3.34Å; T623-D671 WeakPolarHBondContact CB-OD1 3.38Å; T623-D671 PolarHBondContact OG1-OD1 3.28Å |
| 624 | V | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.2 | 172.9 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | I610 K611 V612 V626 Q669 F670 I672 L682 | I610-V624 HydrophobicContact CG2-CG1 3.73Å; K611-V624 CarbonylContact O-C 3.49Å; K611-V624 WeakPolarHBondContact O-CA 3.21Å; V612-V624 HydrophobicContact CG2-CG2 4.49Å; V624-V626 HydrophobicContact CG1-CG2 4.31Å; V624-Q669 VanDerWaalsContact O-CA 3.3Å; V624-Q669 WeakPolarHBondContact O-CA 3.48Å; V624-F670 HydrophobicContact CB-CD2 4.38Å; V624-F670 HydrophobicContact CB-CE1 4.36Å; V624-F670 HydrophobicContact CB-CE2 3.89Å; V624-F670 HydrophobicContact CB-CZ 3.88Å; V624-F670 HydrophobicContact CG1-CE1 4.27Å; V624-F670 HydrophobicContact CG1-CE2 4.28Å; V624-F670 HydrophobicContact CG1-CZ 3.8Å; V624-F670 HydrophobicContact CG2-CE2 4.34Å; V624-F670 PolarHBondContact N-O 3.23Å; V624-F670 PolarHBondContact O-N 3.33Å; V624-I672 HydrophobicContact CG2-CD1 3.68Å; V624-I672 HydrophobicContact CG2-CG1 3.93Å; V624-I672 HydrophobicContact CG2-CG2 4.49Å; V624-L682 HydrophobicContact CB-CD2 4.47Å; V624-L682 HydrophobicContact CG1-CD2 3.9Å; V624-L682 HydrophobicContact CG2-CD2 3.98Å |
| 625 | E | 94.6 | Very high | 89.4 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.8 | 173.6 | 179 | 176.1 | -109.9 | 0 | 0 | 109.8 | K611 L613 S667 Q669 | K611-E625 HydrophobicContact CB-CB 4.42Å; K611-E625 PolarHBondContact N-O 3.24Å; K611-E625 PolarHBondContact O-N 2.87Å; L613-E625 HydrophobicContact CD1-CB 3.99Å; L613-E625 HydrophobicContact CD2-CB 4.4Å; L613-E625 HydrophobicContact CG-CB 4.16Å; E625-S667 WeakPolarHBondContact CG-OG 3.43Å; E625-S667 PolarHBondContact OE1-OG 3.06Å; E625-Q669 HydrophobicContact CB-CG 4.07Å; E625-Q669 HydrophobicContact CG-CG 4.13Å; E625-Q669 PolarHBondContact OE1-NE2 2.85Å |
| 626 | V | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121 | 174.2 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | I608 T609 I610 V624 V628 L641 S667 V668 F670 V684 | I608-V626 HydrophobicContact CD1-CG1 3.79Å; I608-V626 HydrophobicContact CG1-CG1 3.81Å; T609-V626 CarbonylContact O-C 3.59Å; T609-V626 WeakPolarHBondContact O-CA 3.32Å; I610-V626 HydrophobicContact CG1-CG2 4.38Å; I610-V626 HydrophobicContact CG2-CG2 4.3Å; V624-V626 HydrophobicContact CG1-CG2 4.31Å; V626-V628 HydrophobicContact CG1-CG1 4.19Å; V626-L641 HydrophobicContact CB-CD1 3.87Å; V626-L641 HydrophobicContact CG1-CD1 3.78Å; V626-L641 HydrophobicContact CG1-CD2 4.04Å; V626-L641 HydrophobicContact CG2-CD1 4.46Å; V626-S667 WeakPolarHBondContact O-CA 3.4Å; V626-V668 PolarHBondContact N-O 2.82Å; V626-V668 PolarHBondContact O-N 2.93Å; V626-F670 HydrophobicContact CG2-CE1 3.69Å; V626-F670 HydrophobicContact CG2-CZ 4.21Å; V626-V684 HydrophobicContact CG1-CG1 4.05Å; V626-V684 HydrophobicContact CG2-CG1 4.1Å; V626-V684 HydrophobicContact CG2-CG2 4.13Å |
| 627 | T | 91 | Very high | 89 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.1 | 174.4 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | T609 A666 | T609-T627 PolarHBondContact N-O 3.4Å; T609-T627 PolarHBondContact O-N 3.33Å; T627-A666 WeakPolarHBondContact CA-O 3.46Å |
| 628 | V | 87.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.3 | 175.8 | -64.5 | 0 | 0 | 0 | 0 | 110 | I608 V626 L641 V657 L660 R665 A666 L686 | I608-V628 HydrophobicContact CD1-CG1 4.1Å; I608-V628 HydrophobicContact CG1-CG1 4.01Å; V626-V628 HydrophobicContact CG1-CG1 4.19Å; V628-L641 HydrophobicContact CG1-CD2 4.16Å; V628-V657 HydrophobicContact CG2-CG1 4.15Å; V628-L660 HydrophobicContact CG2-CD1 4.2Å; V628-R665 WeakPolarHBondContact O-CA 3.28Å; V628-A666 HydrophobicContact CG2-CB 4.01Å; V628-A666 PolarHBondContact N-O 2.88Å; V628-A666 PolarHBondContact O-N 2.88Å; V628-L686 HydrophobicContact CB-CD2 4.01Å; V628-L686 HydrophobicContact CG1-CD1 4.44Å; V628-L686 HydrophobicContact CG1-CD2 3.89Å; V628-L686 HydrophobicContact CG2-CD2 4.49Å |
| 629 | V | 84.6 | Confident | 88.5 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 24% | 0.242 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.7 | 177 | -173.9 | 0 | 0 | 0 | 0 | 107.7 | P631 R665 | V629-P631 WeakPolarHBondContact O-CD 3.48Å; V629-R665 HydrophobicContact CG1-CG 4.28Å; V629-R665 HydrophobicContact CG2-CG 3.89Å |
| 630 | N | 86.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | -70.3 | 109.5 | 170.3 | 176.2 | 10.2 | 0 | 0 | 0 | 109.2 | L632 E634 V636 L660 E661 Q663 E664 | N630-L632 PolarHBondContact O-N 3.12Å; N630-L632 WeakPolarHBondContact OD1-CB 3.29Å; N630-L632 PolarHBondContact OD1-N 3Å; N630-E634 PolarHBondContact ND2-O 3.1Å; N630-V636 VanDerWaalsContact OD1-CG2 3.28Å; N630-V636 WeakPolarHBondContact OD1-CG2 3.18Å; N630-L660 HydrophobicContact CB-CB 3.81Å; N630-L660 HydrophobicContact CB-CD1 4.17Å; N630-L660 PolarHBondContact ND2-O 3.43Å; N630-E661 PolarHBondContact ND2-O 3.21Å; N630-Q663 WeakPolarHBondContact O-CA 3.45Å; N630-Q663 PolarHBondContact O-N 2.8Å; N630-E664 PolarHBondContact N-O 3.16Å | ||
| 631 | P | 77.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | trans | -78 | -14.4 | -177.7 | 35.1 | -34.6 | 0 | 0 | 0 | 112 | L507 V629 Q663 | L507-P631 HydrophobicContact CB-CB 4.37Å; L507-P631 HydrophobicContact CB-CG 4.39Å; L507-P631 HydrophobicContact CD2-CG 4.13Å; L507-P631 HydrophobicContact CG-CG 4.46Å; L507-P631 VanDerWaalsContact O-O 3.08Å; V629-P631 WeakPolarHBondContact O-CD 3.48Å; P631-Q663 PolarHBondContact O-NE2 3.3Å | ||
| 632 | L | 82.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -82.9 | 159.6 | -174.3 | -53.7 | -176.7 | 0 | 0 | 0 | 111.8 | L507 N630 E634 V636 H690 F691 | L507-L632 HydrophobicContact CG-CD2 4.11Å; N630-L632 PolarHBondContact O-N 3.12Å; N630-L632 WeakPolarHBondContact OD1-CB 3.29Å; N630-L632 PolarHBondContact OD1-N 3Å; L632-E634 HydrophobicContact CB-CG 3.91Å; L632-E634 HydrophobicContact CD1-CG 4.03Å; L632-V636 HydrophobicContact CD1-CG2 3.97Å; L632-V636 HydrophobicContact CG-CG2 4.5Å; L632-H690 HydrophobicContact CD1-CB 4.25Å; L632-F691 HydrophobicContact CD1-CD1 3.92Å; L632-F691 HydrophobicContact CG-CD1 4.29Å |
| 633 | L | 81.6 | Confident | 88 | Confident | 116 Ų | 116 | 36.4 Ų | 36.4 | 61% | 0.607 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -86.6 | 9 | 170.7 | -62.1 | 177.7 | 0 | 0 | 0 | 112.5 | P662 | L633-P662 WeakPolarHBondContact O-CG 3.32Š|
| 634 | E | 85.1 | Confident | 87.7 | Confident | 91 Ų | 91 | 36 Ų | 36 | 43% | 0.425 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -123.2 | 158.4 | 178.3 | 61.4 | -177.4 | -171.1 | 0 | 0 | 111.4 | N630 L632 | N630-E634 PolarHBondContact ND2-O 3.1Å; L632-E634 HydrophobicContact CB-CG 3.91Å; L632-E634 HydrophobicContact CD1-CG 4.03Å |
| 635 | R | 87.3 | Confident | 87.2 | Confident | 124 Ų | 124 | 36.4 Ų | 36.4 | 47% | 0.468 | 18% | 0.182 | S | C | . | . | trans | -69.4 | 130.7 | 177.6 | 178 | -172.6 | -72.7 | 171.7 | -8.4 | 109.8 | K637 T659 L660 E661 | R635-K637 HydrophobicContact CG-CG 4.46Å; R635-T659 HydrophobicContact CG-CG2 3.55Å; R635-L660 WeakPolarHBondContact CA-O 3.31Å; R635-E661 IonicContact CZ-OE1 2.66Å; R635-E661 IonicContact CZ-OE2 3.89Å; R635-E661 IonicContact NE-OE1 3.81Å; R635-E661 PolarHBondContact NE-OE1 2.8Å; R635-E661 IonicContact NE-OE2 3.94Å; R635-E661 PolarHBondContact NE-OE2 2.81Å; R635-E661 IonicContact NH2-OE1 3.35Å; R635-E661 PolarHBondContact NH2-OE1 2.87Å; R635-E661 IonicContact NH2-OE2 3.77Å | ||
| 636 | V | 86.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -107.9 | 129.7 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 110 | N630 L632 C639 T659 L660 S688 H690 F691 | N630-V636 VanDerWaalsContact OD1-CG2 3.28Å; N630-V636 WeakPolarHBondContact OD1-CG2 3.18Å; L632-V636 HydrophobicContact CD1-CG2 3.97Å; L632-V636 HydrophobicContact CG-CG2 4.5Å; V636-C639 WeakPolarHBondContact CG1-SG 3.48Å; V636-T659 WeakPolarHBondContact O-CA 3.41Å; V636-L660 PolarHBondContact N-O 3.09Å; V636-L660 PolarHBondContact O-N 2.97Å; V636-S688 WeakPolarHBondContact CG1-OG 3.44Å; V636-H690 HydrophobicContact CG1-CB 4.02Å; V636-H690 HydrophobicContact CG2-CB 4.21Å; V636-F691 HydrophobicContact CB-CE1 4.41Å; V636-F691 HydrophobicContact CG1-CD1 4.41Å; V636-F691 HydrophobicContact CG1-CE1 3.74Å; V636-F691 HydrophobicContact CG1-CZ 4.5Å; V636-F691 HydrophobicContact CG2-CD1 4.31Å; V636-F691 HydrophobicContact CG2-CE1 3.99Å |
| 637 | K | 87.8 | Confident | 86 | Confident | 94 Ų | 94 | 35.5 Ų | 35.5 | 41% | 0.409 | 18% | 0.18 | S | C | . | . | trans | -120.5 | 171.6 | 177.6 | -61.5 | -177.6 | -179.2 | -179.2 | 0 | 110.9 | R635 C639 T659 H690 | R635-K637 HydrophobicContact CG-CG 4.46Å; K637-C639 VanDerWaalsContact C-N 3.26Å; K637-C639 PolarHBondContact O-N 3.35Å; K637-T659 HydrophobicContact CG-CG2 3.82Å; K637-H690 PolarHBondContact N-NE2 3.12Å; K637-H690 PolarHBondContact O-CD2 3.33Å | ||
| 638 | D | 86.3 | Confident | 85.6 | Confident | 133 Ų | 133 | 34.8 Ų | 34.8 | 71% | 0.711 | 18% | 0.175 | S | C | * | . | S | Bend | trans | 54.8 | 42.2 | 172.1 | -50.2 | -38 | 0 | 0 | 0 | 112.9 | P689 | D638-P689 HydrophobicContact CB-CG 4.28Å; D638-P689 WeakPolarHBondContact O-CD 3.44Å |
| 639 | C | 87.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 137.2 | 175.9 | -75.3 | 0 | 0 | 0 | 0 | 110.3 | V636 K637 V657 L686 V687 S688 | V636-C639 WeakPolarHBondContact CG1-SG 3.48Å; K637-C639 VanDerWaalsContact C-N 3.26Å; K637-C639 PolarHBondContact O-N 3.35Å; C639-V657 HydrophobicContact CB-CB 3.7Å; C639-V657 HydrophobicContact CB-CG1 4.3Å; C639-V657 HydrophobicContact CB-CG2 4.27Å; C639-V657 PolarHBondContact O-N 3.13Å; C639-L686 HydrophobicContact CB-CD1 4.08Å; C639-V687 WeakPolarHBondContact CA-O 3.31Å; C639-S688 PolarHBondContact SG-OG 3.28Å |
| 640 | A | 89.3 | Confident | 84.6 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | M642 I655 V687 | A640-M642 HydrophobicContact CB-SD 4.45Å; A640-I655 CarbonylContact C-O 3.59Å; A640-I655 WeakPolarHBondContact CA-O 3.48Å; A640-V687 PolarHBondContact N-O 2.77Å; A640-V687 PolarHBondContact O-N 2.78Å |
| 641 | L | 89.9 | Confident | 84 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.4 | 165.8 | -67.8 | 175.4 | 0 | 0 | 0 | 109 | I608 V626 V628 S654 I655 V657 V668 V684 D685 L686 | I608-L641 HydrophobicContact CD1-CD2 4.28Å; V626-L641 HydrophobicContact CB-CD1 3.87Å; V626-L641 HydrophobicContact CG1-CD1 3.78Å; V626-L641 HydrophobicContact CG1-CD2 4.04Å; V626-L641 HydrophobicContact CG2-CD1 4.46Å; V628-L641 HydrophobicContact CG1-CD2 4.16Å; L641-S654 CarbonylContact O-C 3.6Å; L641-S654 WeakPolarHBondContact O-CA 3.36Å; L641-I655 HydrophobicContact CB-CB 4.36Å; L641-I655 PolarHBondContact N-O 2.97Å; L641-I655 PolarHBondContact O-N 3.04Å; L641-V657 HydrophobicContact CD1-CG2 4.21Å; L641-V657 HydrophobicContact CD2-CG2 4.39Å; L641-V657 HydrophobicContact CG-CG2 3.64Å; L641-V668 HydrophobicContact CD1-CB 3.74Å; L641-V668 HydrophobicContact CD1-CG1 4Å; L641-V668 HydrophobicContact CD1-CG2 4Å; L641-V684 HydrophobicContact CD2-CG1 3.9Å; L641-D685 CarbonylContact C-O 3.23Å; L641-D685 WeakPolarHBondContact CA-O 3.35Å; L641-L686 HydrophobicContact CD2-CB 4.04Å; L641-L686 HydrophobicContact CD2-CD1 3.77Å; L641-L686 HydrophobicContact CG-CD1 4.42Å |
| 642 | M | 89.3 | Confident | 84.1 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 15% | 0.148 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.5 | 172.8 | -56.8 | -54.6 | -66.2 | 0 | 0 | 108.6 | R252 A640 Q652 L653 S654 V684 D685 V687 | R252-M642 VanDerWaalsContact NH2-CB 3.33Å; A640-M642 HydrophobicContact CB-SD 4.45Å; M642-Q652 HydrophobicContact CE-CG 3.89Å; M642-Q652 VanDerWaalsContact CE-OE1 3.29Å; M642-L653 WeakPolarHBondContact CA-O 3.42Å; M642-S654 PolarHBondContact SD-OG 2.88Å; M642-V684 WeakPolarHBondContact O-CA 3.42Å; M642-D685 HydrophobicContact CB-CB 4.3Å; M642-D685 PolarHBondContact N-O 2.96Å; M642-D685 PolarHBondContact O-N 2.99Å; M642-V687 HydrophobicContact CG-CB 4.49Å; M642-V687 HydrophobicContact CG-CG2 3.63Å |
| 643 | V | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.3 | -172.4 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | L649 L653 I655 F670 L682 Q683 V684 | V643-L649 HydrophobicContact CB-CD1 4.38Å; V643-L649 HydrophobicContact CG1-CD1 3.94Å; V643-L653 HydrophobicContact CB-CB 4.26Å; V643-L653 PolarHBondContact N-O 2.84Å; V643-L653 PolarHBondContact O-N 2.83Å; V643-I655 HydrophobicContact CG2-CD1 4.38Å; V643-F670 HydrophobicContact CB-CE2 4.49Å; V643-F670 HydrophobicContact CB-CZ 4.31Å; V643-F670 HydrophobicContact CG1-CE2 3.81Å; V643-F670 HydrophobicContact CG1-CZ 3.77Å; V643-F670 HydrophobicContact CG2-CE1 3.98Å; V643-F670 HydrophobicContact CG2-CE2 4.23Å; V643-F670 HydrophobicContact CG2-CZ 3.66Å; V643-L682 HydrophobicContact CG1-CD1 3.63Å; V643-L682 HydrophobicContact CG1-CD2 4.48Å; V643-L682 HydrophobicContact CG1-CG 4.14Å; V643-Q683 WeakPolarHBondContact CA-O 3.47Å; V643-V684 HydrophobicContact CG1-CG2 4.27Å; V643-V684 HydrophobicContact CG2-CG1 4.29Å; V643-V684 HydrophobicContact CG2-CG2 4.27Å |
| 644 | E | 86.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 155.4 | 174.1 | 65.6 | 178 | -117.4 | 0 | 0 | 112.1 | R252 Q683 | R252-E644 HydrophobicContact CB-CG 4.22Å; R252-E644 WeakPolarHBondContact CB-OE1 3.32Å; R252-E644 WeakPolarHBondContact CB-OE2 3.46Å; R252-E644 WeakPolarHBondContact CD-OE2 3.49Å; R252-E644 IonicContact CZ-OE2 3.15Å; R252-E644 IonicContact NH1-OE2 2.74Å; R252-E644 PolarHBondContact NH1-OE2 2.7Å; E644-Q683 HydrophobicContact CG-CB 4.06Å; E644-Q683 PolarHBondContact N-O 3.35Å; E644-Q683 PolarHBondContact O-N 2.84Å |
| 645 | G | 85.6 | Confident | 85 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | trans | 179.9 | 120.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G647 F648 L649 Q681 | G645-G647 PolarHBondContact O-N 3.03Å; G645-F648 WeakPolarHBondContact O-CB 3.47Å; G645-F648 PolarHBondContact O-N 2.73Å; G645-L649 PolarHBondContact O-N 2.82Å; G645-L649 VanDerWaalsContact O-N 3.14Å; G645-Q681 VanDerWaalsContact CA-O 3.29Å; G645-Q681 WeakPolarHBondContact CA-O 3.04Å | ||
| 646 | S | 81.4 | Confident | 85.2 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 129.9 | 177.3 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | N178 F648 | N178-S646 PolarHBondContact ND2-OG 2.98Å; N178-S646 PolarHBondContact OD1-OG 3.45Å; S646-F648 VanDerWaalsContact C-N 3.3Å |
| 647 | G | 81.1 | Confident | 85.3 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 2.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G645 P674 S675 | G645-G647 PolarHBondContact O-N 3.03Å; G647-P674 CarbonylContact O-C 3.55Å; G647-P674 WeakPolarHBondContact O-CA 3.45Å; G647-S675 WeakPolarHBondContact CA-OG 3.44Å; G647-S675 PolarHBondContact O-N 2.76Å; G647-S675 PolarHBondContact O-OG 3.43Å |
| 648 | F | 83.4 | Confident | 85.2 | Confident | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -45.8 | 170.2 | -62.3 | -58.3 | 0 | 0 | 0 | 113 | G645 S646 I672 P674 R680 L682 I700 V702 | G645-F648 WeakPolarHBondContact O-CB 3.47Å; G645-F648 PolarHBondContact O-N 2.73Å; S646-F648 VanDerWaalsContact C-N 3.3Å; F648-I672 HydrophobicContact CB-CB 4.48Å; F648-I672 HydrophobicContact CB-CD1 4.46Å; F648-I672 HydrophobicContact CD1-CD1 3.8Å; F648-I672 HydrophobicContact CD1-CG1 4.47Å; F648-I672 HydrophobicContact CE1-CD1 4.12Å; F648-I672 HydrophobicContact CG-CD1 4.04Å; F648-P674 HydrophobicContact CD1-CB 3.94Å; F648-P674 HydrophobicContact CD1-CG 3.93Å; F648-P674 HydrophobicContact CE1-CB 3.95Å; F648-P674 HydrophobicContact CE1-CG 3.85Å; F648-R680 HydrophobicContact CD2-CB 4.33Å; F648-R680 HydrophobicContact CE1-CB 4.15Å; F648-R680 HydrophobicContact CE2-CB 3.37Å; F648-R680 HydrophobicContact CZ-CB 3.25Å; F648-R680 HydrophobicContact CZ-CG 4.18Å; F648-L682 HydrophobicContact CD2-CB 4.36Å; F648-L682 HydrophobicContact CD2-CD1 4.14Å; F648-L682 HydrophobicContact CE2-CB 4.26Å; F648-I700 HydrophobicContact CE1-CD1 4.37Å; F648-I700 HydrophobicContact CE2-CD1 4.17Å; F648-I700 HydrophobicContact CE2-CG1 4.5Å; F648-I700 HydrophobicContact CZ-CB 3.83Å; F648-I700 HydrophobicContact CZ-CD1 3.85Å; F648-I700 HydrophobicContact CZ-CG1 4.12Å; F648-I700 HydrophobicContact CZ-CG2 4.49Å; F648-V702 HydrophobicContact CE1-CG2 3.61Å; F648-V702 HydrophobicContact CZ-CG2 3.93Å |
| 649 | L | 80.6 | Confident | 85.4 | Confident | 45 Ų | 45 | 52 Ų | 52 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | trans | -131.9 | 134 | -173.5 | -61.9 | 171.5 | 0 | 0 | 0 | 109.1 | V643 G645 E651 L653 I672 | V643-L649 HydrophobicContact CB-CD1 4.38Å; V643-L649 HydrophobicContact CG1-CD1 3.94Å; G645-L649 PolarHBondContact O-N 2.82Å; G645-L649 VanDerWaalsContact O-N 3.14Å; L649-E651 WeakPolarHBondContact CB-O 3.15Å; L649-L653 HydrophobicContact CD1-CB 3.96Å; L649-I672 HydrophobicContact CD2-CG2 4.34Å | ||
| 650 | Q | 69.6 | Low | 85.4 | Confident | 208 Ų | 208 | 52 Ų | 52 | 97% | 0.972 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -75.1 | -36.4 | 174.1 | -76.3 | -178 | -21.8 | 0 | 0 | 111.8 | ||
| 651 | E | 73.3 | Confident | 85.4 | Confident | 168 Ų | 168 | 54.8 Ų | 54.8 | 79% | 0.785 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -125.9 | 161.2 | 178.3 | -64.2 | -171.3 | 168.2 | 0 | 0 | 110 | L649 L653 | L649-E651 WeakPolarHBondContact CB-O 3.15Å; E651-L653 PolarHBondContact O-N 2.88Å |
| 652 | Q | 80.3 | Confident | 85.2 | Confident | 95 Ų | 95 | 57.5 Ų | 57.5 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | trans | -64.3 | 129.2 | 176.6 | -170.8 | -174.3 | 28.2 | 0 | 0 | 110.2 | M642 | M642-Q652 HydrophobicContact CE-CG 3.89Å; M642-Q652 VanDerWaalsContact CE-OE1 3.29Å | ||
| 653 | L | 86.9 | Confident | 84.9 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.1 | 174.9 | 179.2 | 64.7 | 0 | 0 | 0 | 109.3 | M642 V643 L649 E651 I655 F670 | M642-L653 WeakPolarHBondContact CA-O 3.42Å; V643-L653 HydrophobicContact CB-CB 4.26Å; V643-L653 PolarHBondContact N-O 2.84Å; V643-L653 PolarHBondContact O-N 2.83Å; L649-L653 HydrophobicContact CD1-CB 3.96Å; E651-L653 PolarHBondContact O-N 2.88Å; L653-I655 HydrophobicContact CD1-CG1 4.46Å; L653-I655 HydrophobicContact CD2-CD1 3.83Å; L653-I655 HydrophobicContact CD2-CG1 4.12Å; L653-I655 HydrophobicContact CG-CD1 4.13Å; L653-I655 HydrophobicContact CG-CG1 3.87Å; L653-F670 HydrophobicContact CD2-CB 4.45Å; L653-F670 HydrophobicContact CD2-CD2 3.96Å; L653-F670 HydrophobicContact CD2-CG 4.31Å |
| 654 | S | 90.4 | Very high | 84.9 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.7 | 174 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | L641 M642 | L641-S654 CarbonylContact O-C 3.6Å; L641-S654 WeakPolarHBondContact O-CA 3.36Å; M642-S654 PolarHBondContact SD-OG 2.88Å |
| 655 | I | 91.4 | Very high | 84.9 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 16% | 0.164 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 120.9 | -177.2 | -48.8 | 170.5 | 0 | 0 | 0 | 108.9 | A640 L641 V643 L653 V657 V668 F670 | A640-I655 CarbonylContact C-O 3.59Å; A640-I655 WeakPolarHBondContact CA-O 3.48Å; L641-I655 HydrophobicContact CB-CB 4.36Å; L641-I655 PolarHBondContact N-O 2.97Å; L641-I655 PolarHBondContact O-N 3.04Å; V643-I655 HydrophobicContact CG2-CD1 4.38Å; L653-I655 HydrophobicContact CD1-CG1 4.46Å; L653-I655 HydrophobicContact CD2-CD1 3.83Å; L653-I655 HydrophobicContact CD2-CG1 4.12Å; L653-I655 HydrophobicContact CG-CD1 4.13Å; L653-I655 HydrophobicContact CG-CG1 3.87Å; I655-V657 PolarHBondContact O-N 2.83Å; I655-V668 HydrophobicContact CG2-CG1 3.65Å; I655-F670 HydrophobicContact CD1-CB 3.64Å; I655-F670 HydrophobicContact CD1-CD1 3.24Å; I655-F670 HydrophobicContact CD1-CD2 4.26Å; I655-F670 HydrophobicContact CD1-CE1 3.9Å; I655-F670 HydrophobicContact CD1-CG 3.45Å; I655-F670 VanDerWaalsContact CD1-CG 3.45Å |
| 656 | D | 90.4 | Very high | 85.1 | Confident | 137 Ų | 137 | 71.9 Ų | 71.9 | 73% | 0.733 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.4 | 176.9 | -65.6 | -31 | 0 | 0 | 0 | 111 | ||
| 657 | V | 88.4 | Confident | 85.5 | Confident | 10 Ų | 10 | 74.5 Ų | 74.5 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 133.2 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | V628 C639 L641 I655 L660 A666 V668 L686 | V628-V657 HydrophobicContact CG2-CG1 4.15Å; C639-V657 HydrophobicContact CB-CB 3.7Å; C639-V657 HydrophobicContact CB-CG1 4.3Å; C639-V657 HydrophobicContact CB-CG2 4.27Å; C639-V657 PolarHBondContact O-N 3.13Å; L641-V657 HydrophobicContact CD1-CG2 4.21Å; L641-V657 HydrophobicContact CD2-CG2 4.39Å; L641-V657 HydrophobicContact CG-CG2 3.64Å; I655-V657 PolarHBondContact O-N 2.83Å; V657-L660 HydrophobicContact CG1-CD1 4.42Å; V657-A666 HydrophobicContact CG1-CB 4.08Å; V657-V668 HydrophobicContact CG1-CG2 4.47Å; V657-V668 HydrophobicContact CG2-CG2 4.3Å; V657-L686 HydrophobicContact CG2-CD1 3.9Å |
| 658 | P | 87.3 | Confident | 86.1 | Confident | 82 Ų | 82 | 75 Ų | 75 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -59 | 157.8 | 176.7 | 25.7 | -34.7 | 0 | 0 | 0 | 111.2 | L660 A666 | P658-L660 PolarHBondContact O-N 2.93Å; P658-A666 HydrophobicContact CG-CB 4.36Å |
| 659 | T | 89.4 | Confident | 86.6 | Confident | 69 Ų | 69 | 79.8 Ų | 79.8 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 132.5 | 171.8 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | R635 V636 K637 | R635-T659 HydrophobicContact CG-CG2 3.55Å; V636-T659 WeakPolarHBondContact O-CA 3.41Å; K637-T659 HydrophobicContact CG-CG2 3.82Å |
| 660 | L | 88.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 78.6 Ų | 78.6 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -109.1 | 123.9 | -179.6 | -70.8 | 171.2 | 0 | 0 | 0 | 110.2 | V628 N630 R635 V636 V657 P658 E664 A666 | V628-L660 HydrophobicContact CG2-CD1 4.2Å; N630-L660 HydrophobicContact CB-CB 3.81Å; N630-L660 HydrophobicContact CB-CD1 4.17Å; N630-L660 PolarHBondContact ND2-O 3.43Å; R635-L660 WeakPolarHBondContact CA-O 3.31Å; V636-L660 PolarHBondContact N-O 3.09Å; V636-L660 PolarHBondContact O-N 2.97Å; V657-L660 HydrophobicContact CG1-CD1 4.42Å; P658-L660 PolarHBondContact O-N 2.93Å; L660-E664 HydrophobicContact CD2-CB 4.24Å; L660-E664 HydrophobicContact CD2-CG 4.14Å; L660-A666 HydrophobicContact CD2-CB 3.6Å; L660-A666 HydrophobicContact CG-CB 4.49Å |
| 661 | E | 90.4 | Very high | 88.3 | Confident | 75 Ų | 75 | 73.2 Ų | 73.2 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | trans | -68 | 163.1 | 166.6 | -65.4 | -59.3 | 161 | 0 | 0 | 111.1 | N630 R635 Q663 E664 | N630-E661 PolarHBondContact ND2-O 3.21Å; R635-E661 IonicContact CZ-OE1 2.66Å; R635-E661 IonicContact CZ-OE2 3.89Å; R635-E661 IonicContact NE-OE1 3.81Å; R635-E661 PolarHBondContact NE-OE1 2.8Å; R635-E661 IonicContact NE-OE2 3.94Å; R635-E661 PolarHBondContact NE-OE2 2.81Å; R635-E661 IonicContact NH2-OE1 3.35Å; R635-E661 PolarHBondContact NH2-OE1 2.87Å; R635-E661 IonicContact NH2-OE2 3.77Å; E661-Q663 PolarHBondContact O-N 2.87Å; E661-E664 HydrophobicContact CB-CB 4.14Å; E661-E664 WeakPolarHBondContact CB-OE2 3.47Å; E661-E664 PolarHBondContact N-OE2 2.95Å; E661-E664 VanDerWaalsContact O-CB 3.24Å; E661-E664 WeakPolarHBondContact O-CB 3.45Å; E661-E664 PolarHBondContact O-N 2.82Å | ||
| 662 | P | 86 | Confident | 89.2 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 127.6 | 176.6 | -28.9 | 36.4 | 0 | 0 | 0 | 112.2 | L633 E664 | L633-P662 WeakPolarHBondContact O-CG 3.32Å; P662-E664 PolarHBondContact O-N 2.84Å; P662-E664 VanDerWaalsContact O-N 3.12Å |
| 663 | Q | 83 | Confident | 89.7 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 43% | 0.425 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 8.3 | -179.1 | -52.2 | -67.9 | -54.4 | 0 | 0 | 115.5 | H509 N630 P631 E661 | H509-Q663 PolarHBondContact NE2-NE2 3.24Å; N630-Q663 WeakPolarHBondContact O-CA 3.45Å; N630-Q663 PolarHBondContact O-N 2.8Å; P631-Q663 PolarHBondContact O-NE2 3.3Å; E661-Q663 PolarHBondContact O-N 2.87Å |
| 664 | E | 88.3 | Confident | 90 | Very high | 89 Ų | 89 | 61.4 Ų | 61.4 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | trans | -70.8 | 150.6 | 175.5 | -171.1 | 171.9 | -157.6 | 0 | 0 | 111.2 | N630 L660 E661 P662 | N630-E664 PolarHBondContact N-O 3.16Å; L660-E664 HydrophobicContact CD2-CB 4.24Å; L660-E664 HydrophobicContact CD2-CG 4.14Å; E661-E664 HydrophobicContact CB-CB 4.14Å; E661-E664 WeakPolarHBondContact CB-OE2 3.47Å; E661-E664 PolarHBondContact N-OE2 2.95Å; E661-E664 VanDerWaalsContact O-CB 3.24Å; E661-E664 WeakPolarHBondContact O-CB 3.45Å; E661-E664 PolarHBondContact O-N 2.82Å; P662-E664 PolarHBondContact O-N 2.84Å; P662-E664 VanDerWaalsContact O-N 3.12Å | ||
| 665 | R | 87.8 | Confident | 89.9 | Confident | 187 Ų | 187 | 62 Ų | 62 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.6 | 175.9 | -54.2 | -166.7 | 173 | -158.4 | -3.7 | 109.8 | V628 V629 | V628-R665 WeakPolarHBondContact O-CA 3.28Å; V629-R665 HydrophobicContact CG1-CG 4.28Å; V629-R665 HydrophobicContact CG2-CG 3.89Å |
| 666 | A | 88.6 | Confident | 89.5 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T627 V628 V657 P658 L660 | T627-A666 WeakPolarHBondContact CA-O 3.46Å; V628-A666 HydrophobicContact CG2-CB 4.01Å; V628-A666 PolarHBondContact N-O 2.88Å; V628-A666 PolarHBondContact O-N 2.88Å; V657-A666 HydrophobicContact CG1-CB 4.08Å; P658-A666 HydrophobicContact CG-CB 4.36Å; L660-A666 HydrophobicContact CD2-CB 3.6Å; L660-A666 HydrophobicContact CG-CB 4.49Å |
| 667 | S | 91.2 | Very high | 89.4 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.7 | 167.2 | -157.8 | 0 | 0 | 0 | 0 | 108.2 | E625 V626 | E625-S667 WeakPolarHBondContact CG-OG 3.43Å; E625-S667 PolarHBondContact OE1-OG 3.06Å; V626-S667 WeakPolarHBondContact O-CA 3.4Å |
| 668 | V | 92.6 | Very high | 89.2 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 108 | V626 L641 I655 V657 | V626-V668 PolarHBondContact N-O 2.82Å; V626-V668 PolarHBondContact O-N 2.93Å; L641-V668 HydrophobicContact CD1-CB 3.74Å; L641-V668 HydrophobicContact CD1-CG1 4Å; L641-V668 HydrophobicContact CD1-CG2 4Å; I655-V668 HydrophobicContact CG2-CG1 3.65Å; V657-V668 HydrophobicContact CG1-CG2 4.47Å; V657-V668 HydrophobicContact CG2-CG2 4.3Å |
| 669 | Q | 94.2 | Very high | 89.2 | Confident | 113 Ų | 113 | 59 Ų | 59 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.3 | 179 | -66.6 | -176.4 | 2.5 | 0 | 0 | 110.4 | T623 V624 E625 | T623-Q669 HydrophobicContact CG2-CB 4.15Å; V624-Q669 VanDerWaalsContact O-CA 3.3Å; V624-Q669 WeakPolarHBondContact O-CA 3.48Å; E625-Q669 HydrophobicContact CB-CG 4.07Å; E625-Q669 HydrophobicContact CG-CG 4.13Å; E625-Q669 PolarHBondContact OE1-NE2 2.85Å |
| 670 | F | 93.4 | Very high | 89.1 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 8% | 0.083 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 158.2 | 174.6 | 59.1 | -89.2 | 0 | 0 | 0 | 110.4 | V624 V626 V643 L653 I655 I672 L682 | V624-F670 HydrophobicContact CB-CD2 4.38Å; V624-F670 HydrophobicContact CB-CE1 4.36Å; V624-F670 HydrophobicContact CB-CE2 3.89Å; V624-F670 HydrophobicContact CB-CZ 3.88Å; V624-F670 HydrophobicContact CG1-CE1 4.27Å; V624-F670 HydrophobicContact CG1-CE2 4.28Å; V624-F670 HydrophobicContact CG1-CZ 3.8Å; V624-F670 HydrophobicContact CG2-CE2 4.34Å; V624-F670 PolarHBondContact N-O 3.23Å; V624-F670 PolarHBondContact O-N 3.33Å; V626-F670 HydrophobicContact CG2-CE1 3.69Å; V626-F670 HydrophobicContact CG2-CZ 4.21Å; V643-F670 HydrophobicContact CB-CE2 4.49Å; V643-F670 HydrophobicContact CB-CZ 4.31Å; V643-F670 HydrophobicContact CG1-CE2 3.81Å; V643-F670 HydrophobicContact CG1-CZ 3.77Å; V643-F670 HydrophobicContact CG2-CE1 3.98Å; V643-F670 HydrophobicContact CG2-CE2 4.23Å; V643-F670 HydrophobicContact CG2-CZ 3.66Å; L653-F670 HydrophobicContact CD2-CB 4.45Å; L653-F670 HydrophobicContact CD2-CD2 3.96Å; L653-F670 HydrophobicContact CD2-CG 4.31Å; I655-F670 HydrophobicContact CD1-CB 3.64Å; I655-F670 HydrophobicContact CD1-CD1 3.24Å; I655-F670 HydrophobicContact CD1-CD2 4.26Å; I655-F670 HydrophobicContact CD1-CE1 3.9Å; I655-F670 HydrophobicContact CD1-CG 3.45Å; I655-F670 VanDerWaalsContact CD1-CG 3.45Å; F670-I672 HydrophobicContact CD2-CG2 3.91Å; F670-I672 HydrophobicContact CE2-CG2 3.71Å; F670-L682 HydrophobicContact CZ-CD2 4.48Å |
| 671 | D | 92.6 | Very high | 89.2 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 142.2 | 179.8 | -64.7 | -29.8 | 0 | 0 | 0 | 111.2 | T623 | T623-D671 WeakPolarHBondContact CA-OD1 3.34Å; T623-D671 WeakPolarHBondContact CB-OD1 3.38Å; T623-D671 PolarHBondContact OG1-OD1 3.28Å |
| 672 | I | 92.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.4 | 169.2 | 62.4 | 176.3 | 0 | 0 | 0 | 109.3 | A621 V622 V624 F648 L649 F670 L682 I700 | A621-I672 CarbonylContact C-O 3.59Å; A621-I672 WeakPolarHBondContact CA-O 3.45Å; V622-I672 HydrophobicContact CG1-CD1 4.11Å; V622-I672 HydrophobicContact CG1-CG1 3.57Å; V622-I672 PolarHBondContact N-O 3.42Å; V622-I672 PolarHBondContact O-N 3.15Å; V624-I672 HydrophobicContact CG2-CD1 3.68Å; V624-I672 HydrophobicContact CG2-CG1 3.93Å; V624-I672 HydrophobicContact CG2-CG2 4.49Å; F648-I672 HydrophobicContact CB-CB 4.48Å; F648-I672 HydrophobicContact CB-CD1 4.46Å; F648-I672 HydrophobicContact CD1-CD1 3.8Å; F648-I672 HydrophobicContact CD1-CG1 4.47Å; F648-I672 HydrophobicContact CE1-CD1 4.12Å; F648-I672 HydrophobicContact CG-CD1 4.04Å; L649-I672 HydrophobicContact CD2-CG2 4.34Å; F670-I672 HydrophobicContact CD2-CG2 3.91Å; F670-I672 HydrophobicContact CE2-CG2 3.71Å; I672-L682 HydrophobicContact CD1-CD1 4.4Å; I672-L682 HydrophobicContact CD1-CD2 4.28Å; I672-I700 HydrophobicContact CD1-CD1 3.77Å |
| 673 | T | 91.5 | Very high | 89.5 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 44% | 0.436 | 27% | 0.274 | S | S | . | . | trans | -118.6 | 105 | 177.1 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | S675 | T673-S675 PolarHBondContact O-N 2.52Š| ||
| 674 | P | 91.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | trans | -63.6 | 132.4 | -179.1 | -19.5 | 31.7 | 0 | 0 | 0 | 112.2 | A616 V618 G619 V620 G647 F648 V702 | A616-P674 HydrophobicContact CB-CG 4.29Å; V618-P674 CarbonylContact C-O 3.15Å; V618-P674 WeakPolarHBondContact CA-O 3.11Å; G619-P674 PolarHBondContact N-O 2.76Å; V620-P674 WeakPolarHBondContact O-CD 3.22Å; G647-P674 CarbonylContact O-C 3.55Å; G647-P674 WeakPolarHBondContact O-CA 3.45Å; F648-P674 HydrophobicContact CD1-CB 3.94Å; F648-P674 HydrophobicContact CD1-CG 3.93Å; F648-P674 HydrophobicContact CE1-CB 3.95Å; F648-P674 HydrophobicContact CE1-CG 3.85Å; P674-V702 HydrophobicContact CB-CB 4.33Å; P674-V702 HydrophobicContact CB-CG1 3.43Å; P674-V702 VanDerWaalsContact CB-CG1 3.43Å; P674-V702 HydrophobicContact CB-CG2 3.92Å; P674-V702 HydrophobicContact CG-CG1 4.01Å; P674-V702 HydrophobicContact CG-CG2 4.2Å | ||
| 675 | S | 88.5 | Confident | 89.9 | Confident | 82 Ų | 82 | 42.6 Ų | 42.6 | 57% | 0.573 | 23% | 0.234 | S | C | * | . | trans | -102.5 | -20.4 | 176.1 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | G647 T673 | G647-S675 WeakPolarHBondContact CA-OG 3.44Å; G647-S675 PolarHBondContact O-N 2.76Å; G647-S675 PolarHBondContact O-OG 3.43Å; T673-S675 PolarHBondContact O-N 2.52Å | ||
| 676 | K | 84.4 | Confident | 89.8 | Confident | 54 Ų | 54 | 33.8 Ų | 33.8 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -124.6 | 140.4 | 179.6 | -63.8 | 178 | 178.5 | 173.3 | 0 | 110.4 | E183 V702 | E183-K676 IonicContact OE1-NZ 3.84Å; E183-K676 PolarHBondContact OE1-NZ 2.77Å; K676-V702 WeakPolarHBondContact O-CG1 3.22Å |
| 677 | S | 87.1 | Confident | 89.7 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 33% | 0.329 | 21% | 0.211 | S | C | . | . | trans | -79.6 | 171 | 173.8 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | R680 V702 | S677-R680 PolarHBondContact O-NE 3.36Å; S677-R680 VanDerWaalsContact O-NE 3.15Å; S677-R680 PolarHBondContact O-NH2 3.28Å; S677-V702 WeakPolarHBondContact CA-O 3.46Å | ||
| 678 | G | 85.6 | Confident | 89.3 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 97.1 | -175.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R680 V702 | G678-R680 PolarHBondContact O-N 3.31Å; G678-V702 PolarHBondContact N-O 2.94Å; G678-V702 PolarHBondContact O-N 3.06Å |
| 679 | P | 85.6 | Confident | 88.6 | Confident | 69 Ų | 69 | 37.2 Ų | 37.2 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 126.4 | 171.8 | 28.8 | -32.3 | 0 | 0 | 0 | 109.9 | I699 | P679-I699 HydrophobicContact CB-CG2 4.07Å |
| 680 | R | 87.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 9% | 0.087 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.3 | 179.8 | -62.8 | -63.5 | 169.8 | -159.5 | -3 | 110.2 | D160 F648 S677 G678 I699 I700 V702 | D160-R680 IonicContact OD1-NH1 3.27Å; D160-R680 PolarHBondContact OD1-NH1 3.25Å; D160-R680 IonicContact OD2-NH1 2.83Å; D160-R680 PolarHBondContact OD2-NH1 3.34Å; D160-R680 VanDerWaalsContact OD2-NH1 3.17Å; F648-R680 HydrophobicContact CD2-CB 4.33Å; F648-R680 HydrophobicContact CE1-CB 4.15Å; F648-R680 HydrophobicContact CE2-CB 3.37Å; F648-R680 HydrophobicContact CZ-CB 3.25Å; F648-R680 HydrophobicContact CZ-CG 4.18Å; S677-R680 PolarHBondContact O-NE 3.36Å; S677-R680 VanDerWaalsContact O-NE 3.15Å; S677-R680 PolarHBondContact O-NH2 3.28Å; G678-R680 PolarHBondContact O-N 3.31Å; R680-I699 CarbonylContact O-C 3.58Å; R680-I699 WeakPolarHBondContact O-CA 3.36Å; R680-I700 PolarHBondContact N-O 3.45Å; R680-I700 PolarHBondContact O-N 2.6Å; R680-V702 HydrophobicContact CB-CG2 4.36Å; R680-V702 HydrophobicContact CG-CG2 4.1Å |
| 681 | Q | 90.8 | Very high | 86.5 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.5 | -177.2 | -173.2 | 175.2 | 91.1 | 0 | 0 | 111.2 | G162 G645 Q683 F697 I699 | G162-Q681 PolarHBondContact O-NE2 2.87Å; G645-Q681 VanDerWaalsContact CA-O 3.29Å; G645-Q681 WeakPolarHBondContact CA-O 3.04Å; Q681-Q683 HydrophobicContact CG-CG 4.11Å; Q681-F697 HydrophobicContact CG-CB 4.32Å; Q681-F697 HydrophobicContact CG-CD2 4.16Å; Q681-I699 HydrophobicContact CB-CD1 3.45Å; Q681-I699 VanDerWaalsContact CB-CD1 3.45Å; Q681-I699 HydrophobicContact CG-CD1 3.62Å |
| 682 | L | 91.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.2 | 167.9 | -173 | 75.6 | 0 | 0 | 0 | 108.5 | V624 V643 F648 F670 I672 F697 V698 I700 | V624-L682 HydrophobicContact CB-CD2 4.47Å; V624-L682 HydrophobicContact CG1-CD2 3.9Å; V624-L682 HydrophobicContact CG2-CD2 3.98Å; V643-L682 HydrophobicContact CG1-CD1 3.63Å; V643-L682 HydrophobicContact CG1-CD2 4.48Å; V643-L682 HydrophobicContact CG1-CG 4.14Å; F648-L682 HydrophobicContact CD2-CB 4.36Å; F648-L682 HydrophobicContact CD2-CD1 4.14Å; F648-L682 HydrophobicContact CE2-CB 4.26Å; F670-L682 HydrophobicContact CZ-CD2 4.48Å; I672-L682 HydrophobicContact CD1-CD1 4.4Å; I672-L682 HydrophobicContact CD1-CD2 4.28Å; L682-F697 CarbonylContact O-C 3.5Å; L682-F697 WeakPolarHBondContact O-CA 3.28Å; L682-F697 WeakPolarHBondContact O-CB 3.15Å; L682-V698 HydrophobicContact CB-CG1 3.95Å; L682-V698 HydrophobicContact CD2-CG1 4.31Å; L682-V698 PolarHBondContact N-O 2.75Å; L682-V698 PolarHBondContact O-N 2.69Å; L682-I700 HydrophobicContact CB-CD1 4.06Å; L682-I700 HydrophobicContact CD2-CD1 4.28Å |
| 683 | Q | 91.5 | Very high | 84.3 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.6 | 176.5 | -59.4 | -173.9 | 41.9 | 0 | 0 | 109.9 | G176 R252 V643 E644 Q681 F697 | G176-Q683 PolarHBondContact O-OE1 2.93Å; R252-Q683 VanDerWaalsContact CB-OE1 3.3Å; R252-Q683 PolarHBondContact O-NE2 2.85Å; R252-Q683 PolarHBondContact O-OE1 3.26Å; V643-Q683 WeakPolarHBondContact CA-O 3.47Å; E644-Q683 HydrophobicContact CG-CB 4.06Å; E644-Q683 PolarHBondContact N-O 3.35Å; E644-Q683 PolarHBondContact O-N 2.84Å; Q681-Q683 HydrophobicContact CG-CG 4.11Å; Q683-F697 HydrophobicContact CG-CB 4.08Å |
| 684 | V | 90.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.4 | -180 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | I608 I610 V626 L641 M642 V643 K695 G696 | I608-V684 HydrophobicContact CD1-CB 4.23Å; I608-V684 HydrophobicContact CD1-CG1 3.73Å; I610-V684 HydrophobicContact CD1-CB 3.75Å; I610-V684 HydrophobicContact CD1-CG2 3.64Å; I610-V684 HydrophobicContact CG1-CB 4.24Å; I610-V684 HydrophobicContact CG1-CG2 4.06Å; I610-V684 HydrophobicContact CG2-CG2 4.44Å; V626-V684 HydrophobicContact CG1-CG1 4.05Å; V626-V684 HydrophobicContact CG2-CG1 4.1Å; V626-V684 HydrophobicContact CG2-CG2 4.13Å; L641-V684 HydrophobicContact CD2-CG1 3.9Å; M642-V684 WeakPolarHBondContact O-CA 3.42Å; V643-V684 HydrophobicContact CG1-CG2 4.27Å; V643-V684 HydrophobicContact CG2-CG1 4.29Å; V643-V684 HydrophobicContact CG2-CG2 4.27Å; V684-K695 WeakPolarHBondContact O-CA 3.49Å; V684-G696 PolarHBondContact N-O 3.4Å; V684-G696 PolarHBondContact O-N 2.97Å; V684-G696 VanDerWaalsContact O-O 3.09Å |
| 685 | D | 88 | Confident | 83.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.4 | -177.1 | -166.8 | 11.7 | 0 | 0 | 0 | 109.6 | R252 L641 M642 I694 K695 | R252-D685 IonicContact CZ-OD2 3.93Å; R252-D685 IonicContact NE-OD2 2.74Å; R252-D685 PolarHBondContact NE-OD2 2.88Å; R252-D685 IonicContact NH2-OD2 2.97Å; R252-D685 PolarHBondContact NH2-OD2 2.92Å; L641-D685 CarbonylContact C-O 3.23Å; L641-D685 WeakPolarHBondContact CA-O 3.35Å; M642-D685 HydrophobicContact CB-CB 4.3Å; M642-D685 PolarHBondContact N-O 2.96Å; M642-D685 PolarHBondContact O-N 2.99Å; D685-I694 CarbonylContact C-O 3.57Å; D685-I694 WeakPolarHBondContact CA-O 3.24Å; D685-K695 HydrophobicContact CB-CG 4.3Å; D685-K695 VanDerWaalsContact OD1-CG 3.23Å; D685-K695 WeakPolarHBondContact OD1-CG 3.48Å; D685-K695 IonicContact OD1-NZ 3.64Å; D685-K695 IonicContact OD2-NZ 2.79Å; D685-K695 PolarHBondContact OD2-NZ 2.8Å |
| 686 | L | 87 | Confident | 83.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 108.7 | 173.6 | -179.8 | 68.6 | 0 | 0 | 0 | 108.4 | V628 C639 L641 V657 F691 I694 | V628-L686 HydrophobicContact CB-CD2 4.01Å; V628-L686 HydrophobicContact CG1-CD1 4.44Å; V628-L686 HydrophobicContact CG1-CD2 3.89Å; V628-L686 HydrophobicContact CG2-CD2 4.49Å; C639-L686 HydrophobicContact CB-CD1 4.08Å; L641-L686 HydrophobicContact CD2-CB 4.04Å; L641-L686 HydrophobicContact CD2-CD1 3.77Å; L641-L686 HydrophobicContact CG-CD1 4.42Å; V657-L686 HydrophobicContact CG2-CD1 3.9Å; L686-F691 HydrophobicContact CD2-CE2 3.8Å; L686-F691 HydrophobicContact CD2-CZ 3.65Å; L686-F691 HydrophobicContact CG-CE2 4.22Å; L686-F691 HydrophobicContact CG-CZ 4.32Å; L686-I694 HydrophobicContact CB-CB 4.21Å; L686-I694 HydrophobicContact CD2-CD1 4.26Å; L686-I694 PolarHBondContact N-O 3.04Å; L686-I694 PolarHBondContact O-N 3.08Å |
| 687 | V | 84.6 | Confident | 83.7 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 29% | 0.285 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.5 | 177.6 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | C639 A640 M642 | C639-V687 WeakPolarHBondContact CA-O 3.31Å; A640-V687 PolarHBondContact N-O 2.77Å; A640-V687 PolarHBondContact O-N 2.78Å; M642-V687 HydrophobicContact CG-CB 4.49Å; M642-V687 HydrophobicContact CG-CG2 3.63Å |
| 688 | S | 82.8 | Confident | 83.9 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 11% | 0.105 | 16% | 0.163 | C | C | . | . | trans | -145.6 | 145.8 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | V636 C639 H690 F691 | V636-S688 WeakPolarHBondContact CG1-OG 3.44Å; C639-S688 PolarHBondContact SG-OG 3.28Å; S688-H690 PolarHBondContact O-N 3.39Å; S688-H690 PolarHBondContact OG-N 2.93Å; S688-F691 VanDerWaalsContact O-O 3.12Å | ||
| 689 | P | 78.7 | Confident | 84 | Confident | 98 Ų | 98 | 28.2 Ų | 28.2 | 64% | 0.636 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -69.2 | -16.2 | 169.7 | 27.5 | -33.1 | 0 | 0 | 0 | 113 | D638 | D638-P689 HydrophobicContact CB-CG 4.28Å; D638-P689 WeakPolarHBondContact O-CD 3.44Å |
| 690 | H | 73.8 | Confident | 84.2 | Confident | 71 Ų | 71 | 25.4 Ų | 25.4 | 33% | 0.329 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -90.7 | -23.6 | -172.4 | -67.7 | -84.4 | 0 | 0 | 0 | 114.6 | L632 V636 K637 S688 | L632-H690 HydrophobicContact CD1-CB 4.25Å; V636-H690 HydrophobicContact CG1-CB 4.02Å; V636-H690 HydrophobicContact CG2-CB 4.21Å; K637-H690 PolarHBondContact N-NE2 3.12Å; K637-H690 PolarHBondContact O-CD2 3.33Å; S688-H690 PolarHBondContact O-N 3.39Å; S688-H690 PolarHBondContact OG-N 2.93Å |
| 691 | F | 70.8 | Confident | 84.3 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -150.8 | 157.1 | 178.9 | 52 | -103.4 | 0 | 0 | 0 | 111.4 | L507 L632 V636 L686 S688 I694 | L507-F691 HydrophobicContact CD2-CB 3.81Å; L507-F691 HydrophobicContact CD2-CG 4.46Å; L632-F691 HydrophobicContact CD1-CD1 3.92Å; L632-F691 HydrophobicContact CG-CD1 4.29Å; V636-F691 HydrophobicContact CB-CE1 4.41Å; V636-F691 HydrophobicContact CG1-CD1 4.41Å; V636-F691 HydrophobicContact CG1-CE1 3.74Å; V636-F691 HydrophobicContact CG1-CZ 4.5Å; V636-F691 HydrophobicContact CG2-CD1 4.31Å; V636-F691 HydrophobicContact CG2-CE1 3.99Å; L686-F691 HydrophobicContact CD2-CE2 3.8Å; L686-F691 HydrophobicContact CD2-CZ 3.65Å; L686-F691 HydrophobicContact CG-CE2 4.22Å; L686-F691 HydrophobicContact CG-CZ 4.32Å; S688-F691 VanDerWaalsContact O-O 3.12Å; F691-I694 HydrophobicContact CD2-CD1 3.77Å; F691-I694 HydrophobicContact CD2-CG1 3.97Å; F691-I694 HydrophobicContact CE2-CD1 3.36Å; F691-I694 HydrophobicContact CE2-CG1 3.8Å; F691-I694 HydrophobicContact CZ-CD1 4.1Å |
| 692 | P | 66.6 | Low | 84.3 | Confident | 24 Ų | 24 | 31.2 Ų | 31.2 | 16% | 0.156 | 17% | 0.168 | C | C | . | . | trans | -69.9 | 147.8 | -176.2 | -3.7 | 16.8 | 0 | 0 | 0 | 112.1 | E578 K580 I694 | E578-P692 HydrophobicContact CB-CB 4.02Å; E578-P692 HydrophobicContact CG-CB 4.16Å; K580-P692 HydrophobicContact CD-CG 4.41Å; K580-P692 VanDerWaalsContact CE-O 3.32Å; K580-P692 WeakPolarHBondContact CE-O 3.49Å; K580-P692 HydrophobicContact CG-CG 4.01Å; K580-P692 PolarHBondContact NZ-O 2.98Å; P692-I694 PolarHBondContact O-N 3.13Å | ||
| 693 | D | 70.8 | Confident | 84.2 | Confident | 19 Ų | 19 | 33.7 Ų | 33.7 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | trans | -25.6 | 123.8 | 177.1 | -94.7 | 8.6 | 0 | 0 | 0 | 114.3 | H250 K580 K695 | H250-D693 IonicContact CD2-OD1 3.24Å; H250-D693 IonicContact CD2-OD2 3.51Å; H250-D693 PolarHBondContact CD2-OD2 2.63Å; H250-D693 IonicContact CG-OD2 2.67Å; H250-D693 IonicContact NE2-OD1 2.71Å; H250-D693 IonicContact NE2-OD2 3.69Å; H250-D693 PolarHBondContact NE2-OD2 2.64Å; K580-D693 PolarHBondContact NZ-O 2.93Å; D693-K695 WeakPolarHBondContact OD2-CE 3.49Å; D693-K695 IonicContact OD2-NZ 2.95Å; D693-K695 PolarHBondContact OD2-NZ 3.18Å | ||
| 694 | I | 81.2 | Confident | 83.9 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 115 | 172.7 | -55.9 | -179.7 | 0 | 0 | 0 | 108 | D606 I608 D685 L686 F691 P692 | D606-I694 HydrophobicContact CB-CD1 3.98Å; D606-I694 HydrophobicContact CB-CG1 4Å; D606-I694 HydrophobicContact CB-CG2 4.12Å; I608-I694 HydrophobicContact CB-CG2 3.98Å; I608-I694 HydrophobicContact CG2-CG2 4.03Å; D685-I694 CarbonylContact C-O 3.57Å; D685-I694 WeakPolarHBondContact CA-O 3.24Å; L686-I694 HydrophobicContact CB-CB 4.21Å; L686-I694 HydrophobicContact CD2-CD1 4.26Å; L686-I694 PolarHBondContact N-O 3.04Å; L686-I694 PolarHBondContact O-N 3.08Å; F691-I694 HydrophobicContact CD2-CD1 3.77Å; F691-I694 HydrophobicContact CD2-CG1 3.97Å; F691-I694 HydrophobicContact CE2-CD1 3.36Å; F691-I694 HydrophobicContact CE2-CG1 3.8Å; F691-I694 HydrophobicContact CZ-CD1 4.1Å; P692-I694 PolarHBondContact O-N 3.13Å |
| 695 | K | 84.9 | Confident | 83 | Confident | 54 Ų | 54 | 40.7 Ų | 40.7 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143 | -173.9 | -64.8 | 173.9 | -156.6 | -75.4 | 0 | 112.3 | L249 V684 D685 D693 | L249-K695 WeakPolarHBondContact O-CE 3.46Å; L249-K695 PolarHBondContact O-NZ 3.19Å; V684-K695 WeakPolarHBondContact O-CA 3.49Å; D685-K695 HydrophobicContact CB-CG 4.3Å; D685-K695 VanDerWaalsContact OD1-CG 3.23Å; D685-K695 WeakPolarHBondContact OD1-CG 3.48Å; D685-K695 IonicContact OD1-NZ 3.64Å; D685-K695 IonicContact OD2-NZ 2.79Å; D685-K695 PolarHBondContact OD2-NZ 2.8Å; D693-K695 WeakPolarHBondContact OD2-CE 3.49Å; D693-K695 IonicContact OD2-NZ 2.95Å; D693-K695 PolarHBondContact OD2-NZ 3.18Å |
| 696 | G | 87.8 | Confident | 81.3 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V684 | V684-G696 PolarHBondContact N-O 3.4Å; V684-G696 PolarHBondContact O-N 2.97Å; V684-G696 VanDerWaalsContact O-O 3.09Å |
| 697 | F | 91.1 | Very high | 81 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.5 | 171.1 | 72.9 | -82.2 | 0 | 0 | 0 | 110.3 | I163 A174 G176 Q681 L682 Q683 | I163-F697 HydrophobicContact CD1-CE2 3.86Å; I163-F697 HydrophobicContact CD1-CZ 3.8Å; I163-F697 HydrophobicContact CG1-CE2 4.05Å; I163-F697 HydrophobicContact CG1-CZ 3.98Å; A174-F697 HydrophobicContact CB-CE1 3.98Å; A174-F697 HydrophobicContact CB-CZ 4.07Å; G176-F697 VanDerWaalsContact N-CD1 3.27Å; Q681-F697 HydrophobicContact CG-CB 4.32Å; Q681-F697 HydrophobicContact CG-CD2 4.16Å; L682-F697 CarbonylContact O-C 3.5Å; L682-F697 WeakPolarHBondContact O-CA 3.28Å; L682-F697 WeakPolarHBondContact O-CB 3.15Å; Q683-F697 HydrophobicContact CG-CB 4.08Å |
| 698 | V | 90.7 | Very high | 80.8 | Confident | 33 Ų | 33 | 57 Ų | 57 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 140.3 | 172.4 | 65.1 | 0 | 0 | 0 | 0 | 109.4 | I610 V612 L682 I700 | I610-V698 HydrophobicContact CB-CB 4.4Å; I610-V698 HydrophobicContact CB-CG1 4.27Å; I610-V698 HydrophobicContact CG2-CB 4.26Å; I610-V698 HydrophobicContact CG2-CG1 3.61Å; V612-V698 HydrophobicContact CG2-CG1 4.39Å; L682-V698 HydrophobicContact CB-CG1 3.95Å; L682-V698 HydrophobicContact CD2-CG1 4.31Å; L682-V698 PolarHBondContact N-O 2.75Å; L682-V698 PolarHBondContact O-N 2.69Å; V698-I700 HydrophobicContact CG1-CD1 4.3Å; V698-I700 HydrophobicContact CG1-CG1 4.09Å |
| 699 | I | 88.5 | Confident | 80.7 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 18% | 0.179 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.9 | 168.3 | -58.1 | -54.4 | 0 | 0 | 0 | 108.9 | D432 P679 R680 Q681 | D432-I699 WeakPolarHBondContact OD1-CG1 3.03Å; D432-I699 WeakPolarHBondContact OD2-CG1 3.35Å; P679-I699 HydrophobicContact CB-CG2 4.07Å; R680-I699 CarbonylContact O-C 3.58Å; R680-I699 WeakPolarHBondContact O-CA 3.36Å; Q681-I699 HydrophobicContact CB-CD1 3.45Å; Q681-I699 VanDerWaalsContact CB-CD1 3.45Å; Q681-I699 HydrophobicContact CG-CD1 3.62Å |
| 700 | I | 89.7 | Confident | 80.8 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.3 | 179.3 | -42.3 | -179.9 | 0 | 0 | 0 | 107.4 | V612 A616 F648 I672 R680 L682 V698 V702 | V612-I700 HydrophobicContact CG1-CG2 4.35Å; V612-I700 HydrophobicContact CG2-CD1 3.55Å; V612-I700 HydrophobicContact CG2-CG1 3.78Å; V612-I700 HydrophobicContact CG2-CG2 4.43Å; A616-I700 HydrophobicContact CB-CG2 3.51Å; F648-I700 HydrophobicContact CE1-CD1 4.37Å; F648-I700 HydrophobicContact CE2-CD1 4.17Å; F648-I700 HydrophobicContact CE2-CG1 4.5Å; F648-I700 HydrophobicContact CZ-CB 3.83Å; F648-I700 HydrophobicContact CZ-CD1 3.85Å; F648-I700 HydrophobicContact CZ-CG1 4.12Å; F648-I700 HydrophobicContact CZ-CG2 4.49Å; I672-I700 HydrophobicContact CD1-CD1 3.77Å; R680-I700 PolarHBondContact N-O 3.45Å; R680-I700 PolarHBondContact O-N 2.6Å; L682-I700 HydrophobicContact CB-CD1 4.06Å; L682-I700 HydrophobicContact CD2-CD1 4.28Å; V698-I700 HydrophobicContact CG1-CD1 4.3Å; V698-I700 HydrophobicContact CG1-CG1 4.09Å; I700-V702 PolarHBondContact O-N 3.1Å |
| 701 | H | 89.6 | Confident | 81.3 | Confident | 143 Ų | 143 | 56.2 Ų | 56.2 | 66% | 0.662 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 110.2 | 173.7 | -68.8 | -70.8 | 0 | 0 | 0 | 109.8 | ||
| 702 | V | 90.4 | Very high | 82 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117 | -178.5 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | A616 V618 F648 P674 K676 S677 G678 R680 I700 | A616-V702 HydrophobicContact CB-CG2 4.12Å; V618-V702 HydrophobicContact CG2-CG1 3.78Å; F648-V702 HydrophobicContact CE1-CG2 3.61Å; F648-V702 HydrophobicContact CZ-CG2 3.93Å; P674-V702 HydrophobicContact CB-CB 4.33Å; P674-V702 HydrophobicContact CB-CG1 3.43Å; P674-V702 VanDerWaalsContact CB-CG1 3.43Å; P674-V702 HydrophobicContact CB-CG2 3.92Å; P674-V702 HydrophobicContact CG-CG1 4.01Å; P674-V702 HydrophobicContact CG-CG2 4.2Å; K676-V702 WeakPolarHBondContact O-CG1 3.22Å; S677-V702 WeakPolarHBondContact CA-O 3.46Å; G678-V702 PolarHBondContact N-O 2.94Å; G678-V702 PolarHBondContact O-N 3.06Å; R680-V702 HydrophobicContact CB-CG2 4.36Å; R680-V702 HydrophobicContact CG-CG2 4.1Å; I700-V702 PolarHBondContact O-N 3.1Å |
| 703 | A | 89.3 | Confident | 83.1 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 149.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A616 M617 V618 | A616-A703 PolarHBondContact O-N 2.79Å; M617-A703 WeakPolarHBondContact CA-O 3.3Å; M617-A703 HydrophobicContact CG-CB 4.16Å; V618-A703 PolarHBondContact N-O 3.26Å |
| 704 | T | 85.3 | Confident | 84 | Confident | 97 Ų | 97 | 64.9 Ų | 64.9 | 60% | 0.595 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 138.5 | 170.6 | 45 | 0 | 0 | 0 | 0 | 110.5 | K706 | T704-K706 PolarHBondContact O-N 3.4Š|
| 705 | A | 70.8 | Confident | 84.3 | Confident | 61 Ų | 61 | 70 Ų | 70 | 50% | 0.504 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 136.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V618 | V618-A705 HydrophobicContact CB-CB 4.44Š|
| 706 | K | 53.1 | Low | 84.2 | Confident | 278 Ų | 278 | 71.5 Ų | 71.5 | 100% | 1.209 | 39% | 0.389 | S | S | * | . | trans | -73.1 | 0 | 175.3 | -83 | -172.8 | 177.4 | 179.8 | 0 | 112.1 | T704 | T704-K706 PolarHBondContact O-N 3.4Š|
Retrieved 706 of 706 residues in 2111.1 ms
(Link to these results)