| 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 | 90 | Very high | 93.5 | Very high | 78 Ų | 78 | 84.1 Ų | 84.1 | 38% | 0.384 | 46% | 0.456 | S | S | . | . | 0 | 151.2 | 0 | 61.7 | -177.7 | -67.1 | 0 | 0 | 110.1 | W3 I15 F51 V70 V72 | M1-W3 HydrophobicContact CE-CE3 3.99Å; M1-W3 HydrophobicContact CE-CZ3 4.16Å; M1-W3 HydrophobicContact CG-CZ3 4.24Å; M1-I15 HydrophobicContact CE-CG2 3.89Å; M1-I15 HydrophobicContact SD-CD1 4.34Å; M1-I15 HydrophobicContact SD-CG2 3.61Å; M1-F51 HydrophobicContact CG-CB 3.83Å; M1-F51 HydrophobicContact CG-CD1 4.28Å; M1-F51 WeakPolarHBondContact CG-O 3.32Å; M1-F51 PolarHBondContact N-O 3.24Å; M1-F51 PolarHBondContact O-N 2.95Å; M1-F51 HydrophobicContact SD-CB 4.17Å; M1-F51 HydrophobicContact SD-CD1 3.93Å; M1-V70 HydrophobicContact CE-CB 4.45Å; M1-V70 HydrophobicContact CE-CG1 3.58Å; M1-V70 HydrophobicContact SD-CG1 3.88Å; M1-V72 HydrophobicContact CE-CG2 3.61Å | |||
| 2 | T | 94.4 | Very high | 93.8 | Very high | 120 Ų | 120 | 85.7 Ų | 85.7 | 74% | 0.736 | 46% | 0.455 | S | S | * | . | B | Isolated β-bridge | trans | -137.7 | 149 | 176.7 | 48.9 | 0 | 0 | 0 | 0 | 109.2 | G49 | T2-G49 CarbonylContact C-O 3.45Å; T2-G49 WeakPolarHBondContact CA-O 3.44Å |
| 3 | W | 94.7 | Very high | 94.1 | Very high | 32 Ų | 32 | 79.1 Ų | 79.1 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | trans | -147.7 | 159.7 | 177.9 | 64.9 | 95.6 | 0 | 0 | 0 | 111.3 | M1 T5 V13 I15 N47 G49 S50 F51 V72 | M1-W3 HydrophobicContact CE-CE3 3.99Å; M1-W3 HydrophobicContact CE-CZ3 4.16Å; M1-W3 HydrophobicContact CG-CZ3 4.24Å; W3-T5 PolarHBondContact O-N 3.44Å; W3-V13 HydrophobicContact CZ2-CG2 3.95Å; W3-I15 HydrophobicContact CH2-CD1 3.77Å; W3-I15 HydrophobicContact CZ3-CD1 4.01Å; W3-N47 PolarHBondContact NE1-OD1 3.46Å; W3-G49 PolarHBondContact N-O 3.5Å; W3-G49 WeakPolarHBondContact O-CA 3.4Å; W3-S50 VanDerWaalsContact CH2-C 3.49Å; W3-S50 WeakPolarHBondContact CH2-O 3.49Å; W3-F51 HydrophobicContact CH2-CB 3.98Å; W3-F51 HydrophobicContact CZ3-CB 3.73Å; W3-V72 HydrophobicContact CD2-CG1 4.32Å; W3-V72 HydrophobicContact CD2-CG2 4.09Å; W3-V72 HydrophobicContact CE3-CG2 4.18Å; W3-V72 HydrophobicContact CG-CG2 4.38Å; W3-V72 HydrophobicContact CZ2-CG1 4.25Å | ||
| 4 | N | 94.5 | Very high | 94.4 | Very high | 88 Ų | 88 | 73.9 Ų | 73.9 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | trans | -75.9 | 118.3 | 170.4 | -176.6 | -6.4 | 0 | 0 | 0 | 109.7 | T6 L7 | N4-T6 PolarHBondContact ND2-OG1 2.99Å; N4-T6 PolarHBondContact O-N 3.11Å; N4-T6 PolarHBondContact OD1-N 2.72Å; N4-T6 VanDerWaalsContact OD1-N 3.07Å; N4-T6 PolarHBondContact OD1-OG1 2.93Å; N4-L7 HydrophobicContact CB-CD1 4.08Å; N4-L7 HydrophobicContact CB-CG 4.11Å; N4-L7 PolarHBondContact O-N 3.16Å | ||
| 5 | T | 94.5 | Very high | 94.5 | Very high | 54 Ų | 54 | 68.9 Ų | 68.9 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -64.4 | -22.6 | -176.5 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | W3 L7 V8 N47 G49 | W3-T5 PolarHBondContact O-N 3.44Å; T5-L7 VanDerWaalsContact C-N 3.26Å; T5-L7 PolarHBondContact O-N 2.97Å; T5-V8 PolarHBondContact O-N 2.81Å; T5-V8 VanDerWaalsContact O-O 3.04Å; T5-N47 WeakPolarHBondContact CG2-O 3.29Å; T5-N47 PolarHBondContact O-ND2 3.31Å; T5-G49 VanDerWaalsContact CG2-CA 3.49Å; T5-G49 VanDerWaalsContact CG2-N 3.28Å |
| 6 | T | 93.5 | Very high | 94.6 | Very high | 103 Ų | 103 | 64.6 Ų | 64.6 | 63% | 0.632 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -72.3 | -18.7 | -180 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | N4 V8 | N4-T6 PolarHBondContact ND2-OG1 2.99Å; N4-T6 PolarHBondContact O-N 3.11Å; N4-T6 PolarHBondContact OD1-N 2.72Å; N4-T6 VanDerWaalsContact OD1-N 3.07Å; N4-T6 PolarHBondContact OD1-OG1 2.93Å; T6-V8 PolarHBondContact O-N 2.79Å |
| 7 | L | 91.7 | Very high | 94.6 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -68.9 | -22.3 | 178.5 | -63.5 | 176.6 | 0 | 0 | 0 | 112.5 | N4 T5 Q85 A87 | N4-L7 HydrophobicContact CB-CD1 4.08Å; N4-L7 HydrophobicContact CB-CG 4.11Å; N4-L7 PolarHBondContact O-N 3.16Å; T5-L7 VanDerWaalsContact C-N 3.26Å; T5-L7 PolarHBondContact O-N 2.97Å; L7-Q85 PolarHBondContact O-NE2 3.06Å; L7-A87 HydrophobicContact CB-CB 4.04Å; L7-A87 HydrophobicContact CD1-CB 3.94Å |
| 8 | V | 93 | Very high | 94.6 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -128.5 | 101 | 179.9 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | T5 T6 S10 V13 N47 V72 A87 | T5-V8 PolarHBondContact O-N 2.81Å; T5-V8 VanDerWaalsContact O-O 3.04Å; T6-V8 PolarHBondContact O-N 2.79Å; V8-S10 VanDerWaalsContact C-N 3.28Å; V8-S10 PolarHBondContact O-N 3.11Å; V8-V13 HydrophobicContact CB-CG1 4.41Å; V8-V13 HydrophobicContact CG1-CG1 3.86Å; V8-N47 PolarHBondContact O-ND2 2.88Å; V8-V72 HydrophobicContact CG2-CG1 4.45Å; V8-V72 WeakPolarHBondContact CG2-O 3.36Å; V8-A87 HydrophobicContact CG2-CB 4.22Å |
| 9 | N | 90.1 | Very high | 94.6 | Very high | 148 Ų | 148 | 54.5 Ų | 54.5 | 79% | 0.791 | 29% | 0.289 | S | S | * | . | trans | -77.4 | 75.4 | -176.9 | -169.2 | 20.4 | 0 | 0 | 0 | 111.8 | ||||
| 10 | S | 95.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 52 Ų | 52 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -155.1 | 149.1 | 179.4 | -161.3 | 0 | 0 | 0 | 0 | 111.7 | V8 K12 N47 S74 | V8-S10 VanDerWaalsContact C-N 3.28Å; V8-S10 PolarHBondContact O-N 3.11Å; S10-K12 VanDerWaalsContact C-N 3.31Å; S10-K12 WeakPolarHBondContact CB-O 3.45Å; S10-K12 PolarHBondContact OG-O 3.2Å; S10-K12 VanDerWaalsContact OG-O 3.08Å; S10-N47 WeakPolarHBondContact O-CB 3.21Å; S10-N47 PolarHBondContact O-ND2 3.13Å; S10-S74 WeakPolarHBondContact CB-OG 3.09Å; S10-S74 PolarHBondContact OG-OG 3.2Å |
| 11 | E | 96.6 | Very high | 94.6 | Very high | 176 Ų | 176 | 51 Ų | 51 | 82% | 0.822 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -70.3 | -29.9 | 174.4 | -65.3 | -174.6 | 173 | 0 | 0 | 112.4 | N47 | E11-N47 PolarHBondContact O-N 2.84Š|
| 12 | K | 97.8 | Very high | 94.8 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.1 | -178.3 | -65.9 | -173.9 | 177.4 | -171.8 | 0 | 111.5 | S10 D44 H45 S75 | S10-K12 VanDerWaalsContact C-N 3.31Å; S10-K12 WeakPolarHBondContact CB-O 3.45Å; S10-K12 PolarHBondContact OG-O 3.2Å; S10-K12 VanDerWaalsContact OG-O 3.08Å; K12-D44 HydrophobicContact CD-CB 4.13Å; K12-H45 CarbonylContact C-O 3.56Å; K12-H45 VanDerWaalsContact CA-O 3.28Å; K12-H45 WeakPolarHBondContact CA-O 3.42Å; K12-S75 VanDerWaalsContact C-OG 3.31Å; K12-S75 PolarHBondContact O-N 3.22Å; K12-S75 PolarHBondContact O-OG 3.03Å |
| 13 | V | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147.1 | -177.7 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | W3 V8 I15 H45 N47 V72 S73 S75 | W3-V13 HydrophobicContact CZ2-CG2 3.95Å; V8-V13 HydrophobicContact CB-CG1 4.41Å; V8-V13 HydrophobicContact CG1-CG1 3.86Å; V13-I15 HydrophobicContact CG2-CG1 4.46Å; V13-H45 HydrophobicContact CG2-CB 4.38Å; V13-H45 WeakPolarHBondContact CG2-O 3.47Å; V13-H45 PolarHBondContact N-O 2.89Å; V13-H45 PolarHBondContact O-N 2.93Å; V13-N47 HydrophobicContact CG1-CB 3.98Å; V13-V72 HydrophobicContact CB-CG1 3.7Å; V13-V72 HydrophobicContact CG1-CG1 3.91Å; V13-V72 HydrophobicContact CG2-CG1 3.8Å; V13-S73 CarbonylContact C-O 3.45Å; V13-S73 WeakPolarHBondContact CA-O 3.5Å; V13-S73 VanDerWaalsContact CB-O 3.31Å; V13-S73 WeakPolarHBondContact CB-O 2.96Å; V13-S75 VanDerWaalsContact CA-OG 3.27Å; V13-S75 WeakPolarHBondContact CA-OG 3.37Å; V13-S75 PolarHBondContact N-OG 2.84Å; V13-S75 VanDerWaalsContact N-OG 3.14Å; V13-S75 PolarHBondContact O-OG 3.03Å |
| 14 | N | 97.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 140.3 | 163.2 | -62.1 | -17.2 | 0 | 0 | 0 | 108.1 | E16 D44 V72 S73 S75 Y77 | N14-E16 HydrophobicContact CB-CG 4.31Å; N14-D44 PolarHBondContact OD1-N 2.89Å; N14-V72 WeakPolarHBondContact O-CA 3.44Å; N14-S73 PolarHBondContact N-O 2.93Å; N14-S73 PolarHBondContact O-N 3.22Å; N14-S75 PolarHBondContact N-OG 2.89Å; N14-S75 WeakPolarHBondContact OD1-CA 3.45Å; N14-S75 WeakPolarHBondContact OD1-CB 3.31Å; N14-S75 PolarHBondContact OD1-OG 3.31Å; N14-Y77 PolarHBondContact ND2-O 3.42Å |
| 15 | I | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114.9 | 175.6 | -54 | -177.4 | 0 | 0 | 0 | 107 | M1 W3 V13 S40 L41 T42 F51 V70 R71 V72 | M1-I15 HydrophobicContact CE-CG2 3.89Å; M1-I15 HydrophobicContact SD-CD1 4.34Å; M1-I15 HydrophobicContact SD-CG2 3.61Å; W3-I15 HydrophobicContact CH2-CD1 3.77Å; W3-I15 HydrophobicContact CZ3-CD1 4.01Å; V13-I15 HydrophobicContact CG2-CG1 4.46Å; I15-S40 CarbonylContact O-C 3.52Å; I15-S40 WeakPolarHBondContact O-CA 3.3Å; I15-L41 HydrophobicContact CB-CB 4.43Å; I15-L41 HydrophobicContact CG2-CB 4.24Å; I15-L41 HydrophobicContact CG2-CD1 3.97Å; I15-L41 PolarHBondContact O-N 2.89Å; I15-T42 HydrophobicContact CB-CG2 3.84Å; I15-T42 HydrophobicContact CD1-CG2 3.65Å; I15-T42 HydrophobicContact CG1-CG2 3.74Å; I15-T42 PolarHBondContact N-O 3.34Å; I15-T42 PolarHBondContact O-N 3.29Å; I15-F51 HydrophobicContact CD1-CB 3.39Å; I15-F51 HydrophobicContact CD1-CD1 3.71Å; I15-F51 HydrophobicContact CD1-CD2 3.96Å; I15-F51 HydrophobicContact CD1-CE1 4.45Å; I15-F51 HydrophobicContact CD1-CG 3.42Å; I15-F51 VanDerWaalsContact CD1-CG 3.42Å; I15-F51 HydrophobicContact CG2-CD1 4.41Å; I15-V70 HydrophobicContact CG2-CG1 3.62Å; I15-R71 CarbonylContact C-O 3.46Å; I15-R71 WeakPolarHBondContact CA-O 3.47Å; I15-V72 HydrophobicContact CG1-CG2 4.4Å |
| 16 | E | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 146.1 | -166.7 | -57.3 | 175.9 | 171.5 | 0 | 0 | 111.3 | N14 W18 Y37 V70 R71 D79 G80 | N14-E16 HydrophobicContact CB-CG 4.31Å; E16-W18 PolarHBondContact OE2-NE1 3.1Å; E16-Y37 HydrophobicContact CB-CD2 4.23Å; E16-Y37 HydrophobicContact CB-CE2 3.99Å; E16-Y37 HydrophobicContact CG-CD2 4.44Å; E16-Y37 HydrophobicContact CG-CE2 3.95Å; E16-V70 CarbonylContact O-C 3.55Å; E16-V70 WeakPolarHBondContact O-CA 3.41Å; E16-R71 HydrophobicContact CB-CB 4.39Å; E16-R71 VanDerWaalsContact CD-NH2 3.34Å; E16-R71 PolarHBondContact N-O 3.17Å; E16-R71 PolarHBondContact O-N 3.03Å; E16-R71 IonicContact OE1-NH2 2.92Å; E16-R71 PolarHBondContact OE1-NH2 3.31Å; E16-R71 IonicContact OE2-CZ 2.72Å; E16-R71 IonicContact OE2-NE 2.68Å; E16-R71 PolarHBondContact OE2-NE 3.18Å; E16-R71 IonicContact OE2-NH2 3.82Å; E16-R71 PolarHBondContact OE2-NH2 3.17Å; E16-D79 WeakPolarHBondContact OE1-CA 3.46Å; E16-G80 PolarHBondContact OE1-N 3.19Å |
| 17 | V | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.7 | 171.2 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | L38 Y39 L41 L94 W96 | V17-L38 HydrophobicContact CG1-CD1 4.11Å; V17-L38 PolarHBondContact O-N 3.2Å; V17-Y39 HydrophobicContact CB-CE1 4.48Å; V17-Y39 HydrophobicContact CB-CE2 4.47Å; V17-Y39 HydrophobicContact CG2-CD2 4.28Å; V17-Y39 HydrophobicContact CG2-CE2 3.83Å; V17-Y39 PolarHBondContact N-O 2.96Å; V17-L41 HydrophobicContact CG2-CD1 4.12Å; V17-L41 HydrophobicContact CG2-CD2 3.99Å; V17-L41 HydrophobicContact CG2-CG 3.73Å; V17-L94 HydrophobicContact CG1-CD1 4.07Å; V17-L94 HydrophobicContact CG1-CD2 4.19Å; V17-W96 HydrophobicContact CG2-CH2 3.96Å; V17-W96 HydrophobicContact CG2-CZ2 4.33Å |
| 18 | W | 95.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.7 | 176 | -74 | 74.1 | 0 | 0 | 0 | 108.9 | E16 W35 R36 Y37 G68 A69 R71 G80 W82 W88 | E16-W18 PolarHBondContact OE2-NE1 3.1Å; W18-W35 HydrophobicContact CB-CE3 3.99Å; W18-W35 HydrophobicContact CB-CZ3 3.8Å; W18-R36 CarbonylContact C-O 3.59Å; W18-R36 WeakPolarHBondContact CA-O 3.26Å; W18-R36 VanDerWaalsContact CE3-C 3.5Å; W18-Y37 VanDerWaalsContact CE3-N 3.3Å; W18-Y37 HydrophobicContact CZ2-CD2 4.4Å; W18-G68 CarbonylContact O-C 3.49Å; W18-G68 WeakPolarHBondContact O-CA 3.24Å; W18-A69 PolarHBondContact N-O 2.98Å; W18-A69 PolarHBondContact O-N 3.44Å; W18-R71 VanDerWaalsContact CZ2-NH1 3.26Å; W18-G80 VanDerWaalsContact CH2-O 3.3Å; W18-G80 WeakPolarHBondContact CH2-O 3.48Å; W18-W82 HydrophobicContact CE3-CH2 4.41Å; W18-W82 HydrophobicContact CE3-CZ2 4.38Å; W18-W82 HydrophobicContact CH2-CD2 4.05Å; W18-W82 AromaticContact CH2-CE2 3.89Å; W18-W82 HydrophobicContact CH2-CE3 4.46Å; W18-W82 HydrophobicContact CH2-CG 4.47Å; W18-W82 HydrophobicContact CH2-CZ2 4.23Å; W18-W82 HydrophobicContact CZ3-CD2 4.12Å; W18-W82 AromaticContact CZ3-CE2 3.61Å; W18-W82 HydrophobicContact CZ3-CE3 4.39Å; W18-W82 AromaticContact CZ3-CH2 3.81Å; W18-W82 HydrophobicContact CZ3-CH2 3.81Å; W18-W82 AromaticContact CZ3-CZ2 3.49Å; W18-W82 HydrophobicContact CZ3-CZ2 3.49Å; W18-W82 VanDerWaalsContact CZ3-CZ2 3.49Å; W18-W82 HydrophobicContact CZ3-CZ3 4.24Å; W18-W88 HydrophobicContact CB-CH2 4.27Å; W18-W88 HydrophobicContact CB-CZ3 3.82Å; W18-W88 AromaticContact CD1-CH2 3.95Å; W18-W88 AromaticContact CD1-CZ3 3.87Å; W18-W88 AromaticContact CD2-CH2 3.76Å; W18-W88 HydrophobicContact CD2-CH2 3.76Å; W18-W88 HydrophobicContact CD2-CZ3 4.21Å; W18-W88 HydrophobicContact CE3-CH2 4.28Å; W18-W88 AromaticContact CG-CH2 3.73Å; W18-W88 HydrophobicContact CG-CH2 3.73Å; W18-W88 AromaticContact CG-CZ3 3.67Å; W18-W88 HydrophobicContact CG-CZ3 3.67Å |
| 19 | G | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 151.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W35 R36 W65 L67 | G19-W35 WeakPolarHBondContact O-CA 3.47Å; G19-R36 PolarHBondContact N-O 2.88Å; G19-R36 PolarHBondContact O-N 3.3Å; G19-W65 WeakPolarHBondContact O-CZ3 3.39Å; G19-L67 CarbonylContact C-O 3.59Å; G19-L67 WeakPolarHBondContact CA-O 3.49Å |
| 20 | Y | 95.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.5 | 169 | -177.5 | -95.6 | 0 | 0 | 0 | 111.1 | E22 D34 W35 L67 I224 Q227 V231 | Y20-E22 HydrophobicContact CE1-CG 3.47Å; Y20-E22 VanDerWaalsContact CE1-CG 3.47Å; Y20-E22 WeakPolarHBondContact OH-CG 3.44Å; Y20-E22 PolarHBondContact OH-OE1 3.04Å; Y20-D34 WeakPolarHBondContact CA-O 3.16Å; Y20-D34 WeakPolarHBondContact CD2-O 3.35Å; Y20-W35 AromaticContact CD2-CD1 3.29Å; Y20-W35 AromaticContact CD2-CD2 3.93Å; Y20-W35 HydrophobicContact CD2-CD2 3.93Å; Y20-W35 AromaticContact CD2-CE2 3.64Å; Y20-W35 AromaticContact CD2-CG 3.72Å; Y20-W35 HydrophobicContact CD2-CG 3.72Å; Y20-W35 HydrophobicContact CD2-CZ2 4.4Å; Y20-W35 AromaticContact CD2-NE1 3.21Å; Y20-W35 AromaticContact CE2-CD1 3.65Å; Y20-W35 HydrophobicContact CE2-CG 4.44Å; Y20-W35 AromaticContact CE2-NE1 3.63Å; Y20-L67 HydrophobicContact CD1-CD2 3.75Å; Y20-L67 HydrophobicContact CG-CD2 4.32Å; Y20-L67 PolarHBondContact N-O 3.02Å; Y20-I224 WeakPolarHBondContact OH-CD1 3.19Å; Y20-Q227 HydrophobicContact CD1-CB 3.81Å; Y20-Q227 HydrophobicContact CD1-CG 4.18Å; Y20-Q227 HydrophobicContact CD2-CB 4.23Å; Y20-Q227 HydrophobicContact CD2-CG 4.02Å; Y20-Q227 HydrophobicContact CE1-CB 3.44Å; Y20-Q227 VanDerWaalsContact CE1-CB 3.44Å; Y20-Q227 HydrophobicContact CE1-CG 4.23Å; Y20-Q227 HydrophobicContact CE2-CB 3.92Å; Y20-Q227 HydrophobicContact CE2-CG 4.08Å; Y20-Q227 HydrophobicContact CG-CB 4.12Å; Y20-Q227 HydrophobicContact CG-CG 4Å; Y20-Q227 VanDerWaalsContact CZ-CB 3.46Å; Y20-V231 HydrophobicContact CD1-CG2 3.87Å; Y20-V231 HydrophobicContact CE1-CG2 3.81Å |
| 21 | E | 93.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 46 Ų | 46 | 15% | 0.15 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 158.2 | 170.1 | 71.3 | -178 | -179.1 | 0 | 0 | 110.7 | T23 G33 D34 R64 W65 | E21-T23 HydrophobicContact CG-CG2 4Å; E21-G33 CarbonylContact O-C 3.54Å; E21-G33 WeakPolarHBondContact O-CA 3.47Å; E21-D34 HydrophobicContact CG-CB 4.46Å; E21-D34 PolarHBondContact N-O 3.09Å; E21-D34 VanDerWaalsContact N-O 3.08Å; E21-D34 PolarHBondContact O-N 3.43Å; E21-R64 VanDerWaalsContact CD-NH1 3.26Å; E21-R64 IonicContact OE1-CZ 2.71Å; E21-R64 IonicContact OE1-NH1 2.8Å; E21-R64 PolarHBondContact OE1-NH1 3.35Å; E21-R64 IonicContact OE1-NH2 3.98Å; E21-R64 PolarHBondContact OE1-NH2 3.06Å; E21-R64 IonicContact OE2-CZ 2.72Å; E21-R64 VanDerWaalsContact OE2-CZ 3.3Å; E21-R64 IonicContact OE2-NH1 3.72Å; E21-R64 PolarHBondContact OE2-NH1 2.78Å; E21-R64 IonicContact OE2-NH2 3.75Å; E21-W65 HydrophobicContact CB-CE3 4.02Å; E21-W65 HydrophobicContact CB-CZ3 3.89Å; E21-W65 HydrophobicContact CG-CE3 4.04Å; E21-W65 HydrophobicContact CG-CH2 3.66Å; E21-W65 HydrophobicContact CG-CZ2 4.35Å; E21-W65 HydrophobicContact CG-CZ3 3.5Å |
| 22 | E | 94.6 | Very high | 94.2 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.6 | 170.6 | -60.3 | -174.5 | 173.9 | 0 | 0 | 109.4 | Y20 Q32 P221 S228 V231 Y232 | Y20-E22 HydrophobicContact CE1-CG 3.47Å; Y20-E22 VanDerWaalsContact CE1-CG 3.47Å; Y20-E22 WeakPolarHBondContact OH-CG 3.44Å; Y20-E22 PolarHBondContact OH-OE1 3.04Å; E22-Q32 WeakPolarHBondContact CA-O 3.07Å; E22-P221 HydrophobicContact CB-CG 4.11Å; E22-P221 VanDerWaalsContact CD-CG 3.45Å; E22-P221 HydrophobicContact CG-CB 4.42Å; E22-P221 HydrophobicContact CG-CG 3.81Å; E22-P221 WeakPolarHBondContact OE2-CB 3.42Å; E22-P221 WeakPolarHBondContact OE2-CG 3.49Å; E22-S228 WeakPolarHBondContact OE1-CA 3.35Å; E22-S228 WeakPolarHBondContact OE1-CB 3.12Å; E22-S228 PolarHBondContact OE1-OG 3.25Å; E22-V231 HydrophobicContact CG-CG2 4.45Å; E22-Y232 WeakPolarHBondContact OE2-CE2 3.36Å; E22-Y232 PolarHBondContact OE2-OH 2.75Å; E22-Y232 VanDerWaalsContact OE2-OH 3.06Å |
| 23 | T | 93 | Very high | 94.1 | Very high | 65 Ų | 65 | 40 Ų | 40 | 40% | 0.399 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 163.3 | -174.9 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | E21 W31 Q32 | E21-T23 HydrophobicContact CG-CG2 4Å; T23-W31 WeakPolarHBondContact O-CA 3.44Å; T23-Q32 PolarHBondContact N-O 2.68Å; T23-Q32 PolarHBondContact O-N 3.11Å |
| 24 | G | 93.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 50% | 0.495 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 99.7 | -171.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 25 | E | 92.8 | Very high | 93.6 | Very high | 135 Ų | 135 | 45.5 Ų | 45.5 | 63% | 0.631 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -85.8 | 121.7 | -177 | -73.3 | -73.7 | 161.8 | 0 | 0 | 110.2 | S28 S30 W31 | E25-S28 WeakPolarHBondContact CB-OG 3.45Å; E25-S28 WeakPolarHBondContact O-CB 3.49Å; E25-S28 PolarHBondContact O-N 2.95Å; E25-S28 VanDerWaalsContact O-N 3.11Å; E25-S28 PolarHBondContact O-OG 2.85Å; E25-S30 PolarHBondContact N-OG 2.81Å; E25-S30 VanDerWaalsContact N-OG 3.1Å; E25-W31 WeakPolarHBondContact O-CB 3.13Å |
| 26 | P | 91.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 140.2 | -179.8 | -28.2 | 36 | 0 | 0 | 0 | 113.8 | S28 W31 L124 | P26-S28 PolarHBondContact O-N 2.77Å; P26-W31 HydrophobicContact CB-CD2 4.33Å; P26-W31 HydrophobicContact CB-CE3 4.4Å; P26-W31 HydrophobicContact CB-CH2 3.97Å; P26-W31 HydrophobicContact CB-CZ2 3.97Å; P26-W31 HydrophobicContact CB-CZ3 4.19Å; P26-W31 HydrophobicContact CG-CZ2 4.46Å; P26-L124 HydrophobicContact CB-CD2 3.29Å; P26-L124 HydrophobicContact CG-CD2 3.61Å |
| 27 | Y | 90.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 54 Ų | 54 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 26 | -174.4 | -62.1 | -84.7 | 0 | 0 | 0 | 114.8 | W31 P125 Y181 P222 | Y27-W31 AromaticContact CD1-CZ3 3.93Å; Y27-W31 HydrophobicContact CD1-CZ3 3.93Å; Y27-W31 HydrophobicContact CD2-CH2 4.07Å; Y27-W31 AromaticContact CD2-CZ3 3.7Å; Y27-W31 HydrophobicContact CD2-CZ3 3.7Å; Y27-W31 HydrophobicContact CE1-CZ3 4.08Å; Y27-W31 AromaticContact CE2-CH2 3.91Å; Y27-W31 HydrophobicContact CE2-CH2 3.91Å; Y27-W31 AromaticContact CE2-CZ3 3.89Å; Y27-W31 HydrophobicContact CE2-CZ3 3.89Å; Y27-W31 HydrophobicContact CG-CE3 4.48Å; Y27-W31 AromaticContact CG-CZ3 3.73Å; Y27-W31 HydrophobicContact CG-CZ3 3.73Å; Y27-P125 HydrophobicContact CD2-CG 3.85Å; Y27-P125 HydrophobicContact CE2-CG 4.06Å; Y27-Y181 HydrophobicContact CD1-CD1 4.49Å; Y27-Y181 AromaticContact CE1-CD1 3.79Å; Y27-Y181 HydrophobicContact CE1-CD1 3.79Å; Y27-Y181 AromaticContact CZ-CD1 3.84Å; Y27-Y181 PolarHBondContact OH-O 2.83Å; Y27-P222 HydrophobicContact CE1-CG 4.12Å |
| 28 | S | 91.6 | Very high | 93.4 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -115 | 171.3 | 174 | 86.1 | 0 | 0 | 0 | 0 | 112.4 | E25 P26 S30 W31 | E25-S28 WeakPolarHBondContact CB-OG 3.45Å; E25-S28 WeakPolarHBondContact O-CB 3.49Å; E25-S28 PolarHBondContact O-N 2.95Å; E25-S28 VanDerWaalsContact O-N 3.11Å; E25-S28 PolarHBondContact O-OG 2.85Å; P26-S28 PolarHBondContact O-N 2.77Å; S28-S30 PolarHBondContact O-N 3.25Å; S28-S30 PolarHBondContact OG-N 3.48Å; S28-S30 VanDerWaalsContact OG-N 3.11Å; S28-S30 PolarHBondContact OG-OG 3.12Å; S28-W31 WeakPolarHBondContact O-CB 3.32Å; S28-W31 PolarHBondContact O-N 2.65Å |
| 29 | E | 90.8 | Very high | 93.3 | Very high | 144 Ų | 144 | 56.4 Ų | 56.4 | 67% | 0.673 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.7 | 174 | -68.9 | -61 | 125.2 | 0 | 0 | 113.8 | W31 K220 | E29-W31 VanDerWaalsContact C-N 3.33Å; E29-K220 IonicContact OE1-NZ 3.57Å; E29-K220 PolarHBondContact OE1-NZ 2.74Å; E29-K220 IonicContact OE2-NZ 3.72Å; E29-K220 PolarHBondContact OE2-NZ 2.87Å |
| 30 | S | 94.3 | Very high | 93.3 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.9 | 174.8 | 70.3 | 0 | 0 | 0 | 0 | 113 | E25 S28 Q32 | E25-S30 PolarHBondContact N-OG 2.81Å; E25-S30 VanDerWaalsContact N-OG 3.1Å; S28-S30 PolarHBondContact O-N 3.25Å; S28-S30 PolarHBondContact OG-N 3.48Å; S28-S30 VanDerWaalsContact OG-N 3.11Å; S28-S30 PolarHBondContact OG-OG 3.12Å; S30-Q32 PolarHBondContact O-N 3.37Å |
| 31 | W | 93.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | trans | -74.7 | 112.4 | 178.4 | -156.3 | 7.9 | 0 | 0 | 0 | 110.9 | T23 E25 P26 Y27 S28 E29 P221 P222 Y232 | T23-W31 WeakPolarHBondContact O-CA 3.44Å; E25-W31 WeakPolarHBondContact O-CB 3.13Å; P26-W31 HydrophobicContact CB-CD2 4.33Å; P26-W31 HydrophobicContact CB-CE3 4.4Å; P26-W31 HydrophobicContact CB-CH2 3.97Å; P26-W31 HydrophobicContact CB-CZ2 3.97Å; P26-W31 HydrophobicContact CB-CZ3 4.19Å; P26-W31 HydrophobicContact CG-CZ2 4.46Å; Y27-W31 AromaticContact CD1-CZ3 3.93Å; Y27-W31 HydrophobicContact CD1-CZ3 3.93Å; Y27-W31 HydrophobicContact CD2-CH2 4.07Å; Y27-W31 AromaticContact CD2-CZ3 3.7Å; Y27-W31 HydrophobicContact CD2-CZ3 3.7Å; Y27-W31 HydrophobicContact CE1-CZ3 4.08Å; Y27-W31 AromaticContact CE2-CH2 3.91Å; Y27-W31 HydrophobicContact CE2-CH2 3.91Å; Y27-W31 AromaticContact CE2-CZ3 3.89Å; Y27-W31 HydrophobicContact CE2-CZ3 3.89Å; Y27-W31 HydrophobicContact CG-CE3 4.48Å; Y27-W31 AromaticContact CG-CZ3 3.73Å; Y27-W31 HydrophobicContact CG-CZ3 3.73Å; S28-W31 WeakPolarHBondContact O-CB 3.32Å; S28-W31 PolarHBondContact O-N 2.65Å; E29-W31 VanDerWaalsContact C-N 3.33Å; W31-P221 HydrophobicContact CB-CB 4.47Å; W31-P221 HydrophobicContact CD2-CB 3.33Å; W31-P221 HydrophobicContact CD2-CG 4.34Å; W31-P221 HydrophobicContact CE3-CB 3.8Å; W31-P221 VanDerWaalsContact CE3-O 3.23Å; W31-P221 HydrophobicContact CG-CB 3.6Å; W31-P221 HydrophobicContact CG-CG 4.11Å; W31-P221 HydrophobicContact CZ2-CB 4.03Å; W31-P221 HydrophobicContact CZ3-CB 4.4Å; W31-P222 HydrophobicContact CH2-CB 3.96Å; W31-P222 HydrophobicContact CH2-CG 3.93Å; W31-P222 HydrophobicContact CZ2-CB 4.45Å; W31-P222 HydrophobicContact CZ3-CB 4.44Å; W31-P222 VanDerWaalsContact CZ3-CD 3.45Å; W31-P222 HydrophobicContact CZ3-CG 4.07Å; W31-Y232 AromaticContact CZ2-CE2 3.83Å; W31-Y232 HydrophobicContact CZ2-CE2 3.83Å; W31-Y232 AromaticContact CZ2-CZ 3.59Å; W31-Y232 WeakPolarHBondContact CZ2-OH 3.31Å; W31-Y232 PolarHBondContact NE1-OH 3.15Å | ||
| 32 | Q | 95.2 | Very high | 93.2 | Very high | 123 Ų | 123 | 59.3 Ų | 59.3 | 58% | 0.575 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.4 | -173.4 | -62.5 | -178 | 21.6 | 0 | 0 | 110.7 | E22 T23 S30 | E22-Q32 WeakPolarHBondContact CA-O 3.07Å; T23-Q32 PolarHBondContact N-O 2.68Å; T23-Q32 PolarHBondContact O-N 3.11Å; S30-Q32 PolarHBondContact O-N 3.37Å |
| 33 | G | 94.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E21 | E21-G33 CarbonylContact O-C 3.54Å; E21-G33 WeakPolarHBondContact O-CA 3.47Å |
| 34 | D | 93 | Very high | 93.5 | Very high | 68 Ų | 68 | 64.8 Ų | 64.8 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 132.5 | 176 | -170.8 | 26.7 | 0 | 0 | 0 | 110 | Y20 E21 W65 | Y20-D34 WeakPolarHBondContact CA-O 3.16Å; Y20-D34 WeakPolarHBondContact CD2-O 3.35Å; E21-D34 HydrophobicContact CG-CB 4.46Å; E21-D34 PolarHBondContact N-O 3.09Å; E21-D34 VanDerWaalsContact N-O 3.08Å; E21-D34 PolarHBondContact O-N 3.43Å; D34-W65 HydrophobicContact CB-CH2 4.41Å |
| 35 | W | 92.7 | Very high | 93.7 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 21% | 0.205 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127 | 171.6 | -94.8 | 101.6 | 0 | 0 | 0 | 107.9 | W18 G19 Y20 A69 W82 W88 Q227 | W18-W35 HydrophobicContact CB-CE3 3.99Å; W18-W35 HydrophobicContact CB-CZ3 3.8Å; G19-W35 WeakPolarHBondContact O-CA 3.47Å; Y20-W35 AromaticContact CD2-CD1 3.29Å; Y20-W35 AromaticContact CD2-CD2 3.93Å; Y20-W35 HydrophobicContact CD2-CD2 3.93Å; Y20-W35 AromaticContact CD2-CE2 3.64Å; Y20-W35 AromaticContact CD2-CG 3.72Å; Y20-W35 HydrophobicContact CD2-CG 3.72Å; Y20-W35 HydrophobicContact CD2-CZ2 4.4Å; Y20-W35 AromaticContact CD2-NE1 3.21Å; Y20-W35 AromaticContact CE2-CD1 3.65Å; Y20-W35 HydrophobicContact CE2-CG 4.44Å; Y20-W35 AromaticContact CE2-NE1 3.63Å; W35-A69 HydrophobicContact CH2-CB 4.01Å; W35-A69 HydrophobicContact CZ3-CB 4.28Å; W35-W82 HydrophobicContact CB-CH2 3.57Å; W35-W82 HydrophobicContact CB-CZ2 4.09Å; W35-W82 HydrophobicContact CG-CH2 4.44Å; W35-W82 WeakPolarHBondContact O-CZ2 3.36Å; W35-W88 HydrophobicContact CZ3-CZ3 4.42Å; W35-Q227 HydrophobicContact CZ2-CG 3.67Å |
| 36 | R | 94.1 | Very high | 93.9 | Very high | 124 Ų | 124 | 61.3 Ų | 61.3 | 47% | 0.468 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 133.9 | -173.2 | -164.8 | 174.5 | 175.3 | 168.1 | -4.7 | 112.4 | W18 G19 L38 W65 | W18-R36 CarbonylContact C-O 3.59Å; W18-R36 WeakPolarHBondContact CA-O 3.26Å; W18-R36 VanDerWaalsContact CE3-C 3.5Å; G19-R36 PolarHBondContact N-O 2.88Å; G19-R36 PolarHBondContact O-N 3.3Å; R36-L38 HydrophobicContact CB-CD2 4.48Å; R36-L38 PolarHBondContact O-N 2.99Å; R36-W65 HydrophobicContact CB-CH2 3.43Å; R36-W65 VanDerWaalsContact CB-CH2 3.43Å; R36-W65 HydrophobicContact CB-CZ2 3.71Å; R36-W65 HydrophobicContact CB-CZ3 4.05Å; R36-W65 HydrophobicContact CG-CH2 4.39Å; R36-W65 HydrophobicContact CG-CZ2 4.24Å |
| 37 | Y | 95.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 125.2 | 163.9 | 168.2 | -96.9 | 0 | 0 | 0 | 109.2 | E16 W18 Y39 S40 D79 G80 | E16-Y37 HydrophobicContact CB-CD2 4.23Å; E16-Y37 HydrophobicContact CB-CE2 3.99Å; E16-Y37 HydrophobicContact CG-CD2 4.44Å; E16-Y37 HydrophobicContact CG-CE2 3.95Å; W18-Y37 VanDerWaalsContact CE3-N 3.3Å; W18-Y37 HydrophobicContact CZ2-CD2 4.4Å; Y37-Y39 WeakPolarHBondContact OH-CA 3.38Å; Y37-S40 PolarHBondContact OH-N 2.8Å; Y37-S40 PolarHBondContact OH-OG 3.04Å; Y37-D79 HydrophobicContact CE1-CB 4.17Å; Y37-D79 HydrophobicContact CE2-CB 4.01Å; Y37-G80 VanDerWaalsContact CG-CA 3.45Å |
| 38 | L | 93.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -68.7 | 177.6 | -51.5 | -175.4 | 0 | 0 | 0 | 109.6 | V17 R36 F62 W65 L94 | V17-L38 HydrophobicContact CG1-CD1 4.11Å; V17-L38 PolarHBondContact O-N 3.2Å; R36-L38 HydrophobicContact CB-CD2 4.48Å; R36-L38 PolarHBondContact O-N 2.99Å; L38-F62 HydrophobicContact CB-CD1 4.28Å; L38-F62 HydrophobicContact CB-CD2 4.5Å; L38-F62 HydrophobicContact CB-CG 4.24Å; L38-F62 HydrophobicContact CD2-CD1 3.81Å; L38-F62 HydrophobicContact CD2-CE1 4.24Å; L38-F62 HydrophobicContact CD2-CG 4.44Å; L38-F62 WeakPolarHBondContact O-CE2 3.42Å; L38-F62 WeakPolarHBondContact O-CZ 3.3Å; L38-W65 HydrophobicContact CD1-CB 3.9Å; L38-W65 HydrophobicContact CD1-CG 4.12Å; L38-W65 HydrophobicContact CD2-CB 4.43Å; L38-W65 HydrophobicContact CD2-CD2 3.82Å; L38-W65 HydrophobicContact CD2-CG 3.76Å; L38-L94 HydrophobicContact CD1-CD1 4.12Å |
| 39 | Y | 92.9 | Very high | 94.6 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 164.9 | -177.7 | 55.8 | -87.8 | 0 | 0 | 0 | 111.6 | V17 Y37 L41 A58 F62 | V17-Y39 HydrophobicContact CB-CE1 4.48Å; V17-Y39 HydrophobicContact CB-CE2 4.47Å; V17-Y39 HydrophobicContact CG2-CD2 4.28Å; V17-Y39 HydrophobicContact CG2-CE2 3.83Å; V17-Y39 PolarHBondContact N-O 2.96Å; Y37-Y39 WeakPolarHBondContact OH-CA 3.38Å; Y39-L41 HydrophobicContact CE2-CD2 4.06Å; Y39-A58 HydrophobicContact CE1-CB 4.29Å; Y39-F62 HydrophobicContact CD1-CD2 4.04Å |
| 40 | S | 93.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 56 Ų | 56 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.1 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | I15 Y37 T42 D79 | I15-S40 CarbonylContact O-C 3.52Å; I15-S40 WeakPolarHBondContact O-CA 3.3Å; Y37-S40 PolarHBondContact OH-N 2.8Å; Y37-S40 PolarHBondContact OH-OG 3.04Å; S40-T42 VanDerWaalsContact C-N 3.31Å; S40-D79 VanDerWaalsContact OG-CG 3.28Å; S40-D79 PolarHBondContact OG-OD1 2.51Å |
| 41 | L | 93.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | -38.6 | 171.1 | -70.8 | 175 | 0 | 0 | 0 | 111.2 | I15 V17 Y39 F51 F53 V70 W96 | I15-L41 HydrophobicContact CB-CB 4.43Å; I15-L41 HydrophobicContact CG2-CB 4.24Å; I15-L41 HydrophobicContact CG2-CD1 3.97Å; I15-L41 PolarHBondContact O-N 2.89Å; V17-L41 HydrophobicContact CG2-CD1 4.12Å; V17-L41 HydrophobicContact CG2-CD2 3.99Å; V17-L41 HydrophobicContact CG2-CG 3.73Å; Y39-L41 HydrophobicContact CE2-CD2 4.06Å; L41-F51 HydrophobicContact CB-CE1 3.81Å; L41-F51 HydrophobicContact CB-CZ 4.3Å; L41-F51 HydrophobicContact CD1-CE1 4.26Å; L41-F53 HydrophobicContact CD1-CD1 3.91Å; L41-F53 HydrophobicContact CD1-CE1 3.67Å; L41-F53 HydrophobicContact CD1-CG 4.44Å; L41-F53 HydrophobicContact CD1-CZ 4.02Å; L41-F53 HydrophobicContact CD2-CD1 4.48Å; L41-F53 HydrophobicContact CD2-CD2 3.92Å; L41-F53 HydrophobicContact CD2-CE1 4.49Å; L41-F53 HydrophobicContact CD2-CE2 3.96Å; L41-F53 HydrophobicContact CD2-CG 4.21Å; L41-F53 HydrophobicContact CD2-CZ 4.24Å; L41-V70 HydrophobicContact CD1-CG1 4.39Å; L41-W96 HydrophobicContact CD2-CH2 3.73Å; L41-W96 HydrophobicContact CD2-CZ3 4.14Å |
| 42 | T | 95.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 157.8 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | I15 S40 H45 F51 | I15-T42 HydrophobicContact CB-CG2 3.84Å; I15-T42 HydrophobicContact CD1-CG2 3.65Å; I15-T42 HydrophobicContact CG1-CG2 3.74Å; I15-T42 PolarHBondContact N-O 3.34Å; I15-T42 PolarHBondContact O-N 3.29Å; S40-T42 VanDerWaalsContact C-N 3.31Å; T42-H45 HydrophobicContact CG2-CB 3.71Å; T42-F51 HydrophobicContact CG2-CD2 3.84Å; T42-F51 HydrophobicContact CG2-CE1 4.18Å; T42-F51 HydrophobicContact CG2-CE2 3.42Å; T42-F51 VanDerWaalsContact CG2-CE2 3.42Å; T42-F51 HydrophobicContact CG2-CG 4.39Å; T42-F51 HydrophobicContact CG2-CZ 3.61Å |
| 43 | K | 96.3 | Very high | 94.7 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153.7 | 178 | -61.5 | -179.3 | -178.7 | -173.1 | 0 | 109.4 | H45 D79 | K43-H45 PolarHBondContact O-N 3.49Å; K43-H45 VanDerWaalsContact O-N 3.08Å; K43-D79 WeakPolarHBondContact CE-OD1 3.19Å; K43-D79 WeakPolarHBondContact CE-OD2 3.42Å; K43-D79 IonicContact NZ-OD1 3.45Å; K43-D79 IonicContact NZ-OD2 2.61Å; K43-D79 PolarHBondContact NZ-OD2 3.47Å |
| 44 | D | 96.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 64.9 Ų | 64.9 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.6 | 29.6 | 177.5 | -69.4 | -60.4 | 0 | 0 | 0 | 113.8 | K12 N14 S75 | K12-D44 HydrophobicContact CD-CB 4.13Å; N14-D44 PolarHBondContact OD1-N 2.89Å; D44-S75 VanDerWaalsContact CA-OG 3.31Å; D44-S75 WeakPolarHBondContact CA-OG 3.41Å; D44-S75 PolarHBondContact N-OG 3.22Å; D44-S75 WeakPolarHBondContact OD1-CB 3.3Å |
| 45 | H | 97.2 | Very high | 93.7 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 135.7 | -177 | -176.8 | 72.3 | 0 | 0 | 0 | 110.2 | K12 V13 T42 K43 N47 S50 F51 | K12-H45 CarbonylContact C-O 3.56Å; K12-H45 VanDerWaalsContact CA-O 3.28Å; K12-H45 WeakPolarHBondContact CA-O 3.42Å; V13-H45 HydrophobicContact CG2-CB 4.38Å; V13-H45 WeakPolarHBondContact CG2-O 3.47Å; V13-H45 PolarHBondContact N-O 2.89Å; V13-H45 PolarHBondContact O-N 2.93Å; T42-H45 HydrophobicContact CG2-CB 3.71Å; K43-H45 PolarHBondContact O-N 3.49Å; K43-H45 VanDerWaalsContact O-N 3.08Å; H45-N47 PolarHBondContact O-N 3.46Å; H45-S50 PolarHBondContact NE2-O 3.31Å; H45-S50 VanDerWaalsContact NE2-O 3.12Å; H45-F51 AromaticContact CE1-CD2 3.92Å |
| 46 | P | 97.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 68.7 Ų | 68.7 | 49% | 0.494 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 133.1 | 175.9 | -24.9 | 34.3 | 0 | 0 | 0 | 111.9 | N48 | P46-N48 PolarHBondContact O-N 3.11Å |
| 47 | N | 96.8 | Very high | 92.1 | Very high | 31 Ų | 31 | 66.8 Ų | 66.8 | 17% | 0.166 | 34% | 0.342 | C | S | . | . | trans | -75.5 | 67.9 | 178.6 | -169.3 | 15.2 | 0 | 0 | 0 | 111.8 | W3 T5 V8 S10 E11 V13 H45 | W3-N47 PolarHBondContact NE1-OD1 3.46Å; T5-N47 WeakPolarHBondContact CG2-O 3.29Å; T5-N47 PolarHBondContact O-ND2 3.31Å; V8-N47 PolarHBondContact O-ND2 2.88Å; S10-N47 WeakPolarHBondContact O-CB 3.21Å; S10-N47 PolarHBondContact O-ND2 3.13Å; E11-N47 PolarHBondContact O-N 2.84Å; V13-N47 HydrophobicContact CG1-CB 3.98Å; H45-N47 PolarHBondContact O-N 3.46Å | ||
| 48 | N | 96.1 | Very high | 91.4 | Very high | 95 Ų | 95 | 64.6 Ų | 64.6 | 51% | 0.508 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -98.8 | 6.7 | -179.8 | 68.9 | 11.8 | 0 | 0 | 0 | 113.4 | P46 S50 | P46-N48 PolarHBondContact O-N 3.11Å; N48-S50 VanDerWaalsContact C-N 3.34Å; N48-S50 PolarHBondContact O-N 2.68Å; N48-S50 PolarHBondContact OD1-N 2.98Å; N48-S50 VanDerWaalsContact OD1-N 3.1Å; N48-S50 PolarHBondContact OD1-O 3.03Å |
| 49 | G | 95.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 72.5 Ų | 72.5 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 79.9 | 7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T2 W3 T5 | T2-G49 CarbonylContact C-O 3.45Å; T2-G49 WeakPolarHBondContact CA-O 3.44Å; W3-G49 PolarHBondContact N-O 3.5Å; W3-G49 WeakPolarHBondContact O-CA 3.4Å; T5-G49 VanDerWaalsContact CG2-CA 3.49Å; T5-G49 VanDerWaalsContact CG2-N 3.28Å |
| 50 | S | 96.1 | Very high | 90.1 | Very high | 55 Ų | 55 | 73.2 Ų | 73.2 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -147.5 | 146.9 | 178.7 | 70.7 | 0 | 0 | 0 | 0 | 113.9 | W3 H45 N48 | W3-S50 VanDerWaalsContact CH2-C 3.49Å; W3-S50 WeakPolarHBondContact CH2-O 3.49Å; H45-S50 PolarHBondContact NE2-O 3.31Å; H45-S50 VanDerWaalsContact NE2-O 3.12Å; N48-S50 VanDerWaalsContact C-N 3.34Å; N48-S50 PolarHBondContact O-N 2.68Å; N48-S50 PolarHBondContact OD1-N 2.98Å; N48-S50 VanDerWaalsContact OD1-N 3.1Å; N48-S50 PolarHBondContact OD1-O 3.03Å |
| 51 | F | 95.4 | Very high | 89.4 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | trans | -148.5 | 139.9 | 174 | -179.9 | -109.5 | 0 | 0 | 0 | 110.7 | M1 W3 I15 L41 T42 H45 F53 | M1-F51 HydrophobicContact CG-CB 3.83Å; M1-F51 HydrophobicContact CG-CD1 4.28Å; M1-F51 WeakPolarHBondContact CG-O 3.32Å; M1-F51 PolarHBondContact N-O 3.24Å; M1-F51 PolarHBondContact O-N 2.95Å; M1-F51 HydrophobicContact SD-CB 4.17Å; M1-F51 HydrophobicContact SD-CD1 3.93Å; W3-F51 HydrophobicContact CH2-CB 3.98Å; W3-F51 HydrophobicContact CZ3-CB 3.73Å; I15-F51 HydrophobicContact CD1-CB 3.39Å; I15-F51 HydrophobicContact CD1-CD1 3.71Å; I15-F51 HydrophobicContact CD1-CD2 3.96Å; I15-F51 HydrophobicContact CD1-CE1 4.45Å; I15-F51 HydrophobicContact CD1-CG 3.42Å; I15-F51 VanDerWaalsContact CD1-CG 3.42Å; I15-F51 HydrophobicContact CG2-CD1 4.41Å; L41-F51 HydrophobicContact CB-CE1 3.81Å; L41-F51 HydrophobicContact CB-CZ 4.3Å; L41-F51 HydrophobicContact CD1-CE1 4.26Å; T42-F51 HydrophobicContact CG2-CD2 3.84Å; T42-F51 HydrophobicContact CG2-CE1 4.18Å; T42-F51 HydrophobicContact CG2-CE2 3.42Å; T42-F51 VanDerWaalsContact CG2-CE2 3.42Å; T42-F51 HydrophobicContact CG2-CG 4.39Å; T42-F51 HydrophobicContact CG2-CZ 3.61Å; H45-F51 AromaticContact CE1-CD2 3.92Å; F51-F53 HydrophobicContact CD1-CB 4.49Å; F51-F53 AromaticContact CD1-CD1 3.96Å; F51-F53 HydrophobicContact CD1-CD1 3.96Å; F51-F53 HydrophobicContact CE1-CB 3.61Å; F51-F53 AromaticContact CE1-CD1 3.66Å; F51-F53 HydrophobicContact CE1-CD1 3.66Å; F51-F53 AromaticContact CE1-CG 3.96Å; F51-F53 HydrophobicContact CE1-CG 3.96Å; F51-F53 HydrophobicContact CZ-CB 3.89Å | ||
| 52 | K | 93.6 | Very high | 89.1 | Confident | 196 Ų | 196 | 79.4 Ų | 79.4 | 85% | 0.852 | 42% | 0.422 | S | S | * | . | trans | -127.4 | 133.7 | 176.2 | -66.4 | -177.6 | -179.7 | 179.8 | 0 | 107.8 | ||||
| 53 | F | 89.3 | Confident | 88.3 | Confident | 71 Ų | 71 | 80.4 Ų | 80.4 | 31% | 0.311 | 43% | 0.431 | S | S | . | . | trans | -137.7 | 159.9 | 173.8 | 68.2 | -80.9 | 0 | 0 | 0 | 109.1 | L41 F51 P55 W96 | L41-F53 HydrophobicContact CD1-CD1 3.91Å; L41-F53 HydrophobicContact CD1-CE1 3.67Å; L41-F53 HydrophobicContact CD1-CG 4.44Å; L41-F53 HydrophobicContact CD1-CZ 4.02Å; L41-F53 HydrophobicContact CD2-CD1 4.48Å; L41-F53 HydrophobicContact CD2-CD2 3.92Å; L41-F53 HydrophobicContact CD2-CE1 4.49Å; L41-F53 HydrophobicContact CD2-CE2 3.96Å; L41-F53 HydrophobicContact CD2-CG 4.21Å; L41-F53 HydrophobicContact CD2-CZ 4.24Å; F51-F53 HydrophobicContact CD1-CB 4.49Å; F51-F53 AromaticContact CD1-CD1 3.96Å; F51-F53 HydrophobicContact CD1-CD1 3.96Å; F51-F53 HydrophobicContact CE1-CB 3.61Å; F51-F53 AromaticContact CE1-CD1 3.66Å; F51-F53 HydrophobicContact CE1-CD1 3.66Å; F51-F53 AromaticContact CE1-CG 3.96Å; F51-F53 HydrophobicContact CE1-CG 3.96Å; F51-F53 HydrophobicContact CZ-CB 3.89Å; F53-P55 HydrophobicContact CE2-CG 4.16Å; F53-W96 HydrophobicContact CD2-CZ3 4.28Å; F53-W96 HydrophobicContact CE2-CD2 4.21Å; F53-W96 AromaticContact CE2-CE3 3.62Å; F53-W96 HydrophobicContact CE2-CE3 3.62Å; F53-W96 AromaticContact CE2-CH2 3.63Å; F53-W96 HydrophobicContact CE2-CH2 3.63Å; F53-W96 HydrophobicContact CE2-CZ2 4.25Å; F53-W96 AromaticContact CE2-CZ3 3.29Å; F53-W96 HydrophobicContact CE2-CZ3 3.29Å; F53-W96 HydrophobicContact CZ-CD2 4.31Å; F53-W96 HydrophobicContact CZ-CE3 4.13Å; F53-W96 AromaticContact CZ-CH2 3.69Å; F53-W96 HydrophobicContact CZ-CH2 3.69Å; F53-W96 AromaticContact CZ-CZ2 3.91Å; F53-W96 HydrophobicContact CZ-CZ2 3.91Å; F53-W96 AromaticContact CZ-CZ3 3.83Å; F53-W96 HydrophobicContact CZ-CZ3 3.83Å | ||
| 54 | V | 85.3 | Confident | 87.7 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 69% | 0.685 | 43% | 0.428 | S | S | * | . | trans | -95 | 122.8 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 106.7 | K56 | V54-K56 PolarHBondContact O-N 3.13Š| ||
| 55 | P | 81.6 | Confident | 87.3 | Confident | 43 Ų | 43 | 76 Ų | 76 | 28% | 0.279 | 40% | 0.404 | S | S | . | . | trans | -48.3 | 135.8 | 172.5 | -33.7 | 39.9 | 0 | 0 | 0 | 112.8 | F53 W96 | F53-P55 HydrophobicContact CE2-CG 4.16Å; P55-W96 HydrophobicContact CB-CB 3.85Å; P55-W96 HydrophobicContact CB-CD2 4.42Å; P55-W96 HydrophobicContact CB-CE3 3.81Å; P55-W96 HydrophobicContact CB-CG 4.5Å; P55-W96 HydrophobicContact CG-CB 3.92Å; P55-W96 HydrophobicContact CG-CE3 4.24Å; P55-W96 HydrophobicContact CG-CG 4.47Å | ||
| 56 | K | 76.5 | Confident | 86.9 | Confident | 159 Ų | 159 | 76.3 Ų | 76.3 | 69% | 0.691 | 41% | 0.406 | S | S | * | . | trans | -128.5 | 149.4 | 174.9 | -67.3 | -175.8 | -179.5 | -179.3 | 0 | 109.4 | V54 A58 E99 | V54-K56 PolarHBondContact O-N 3.13Å; K56-A58 PolarHBondContact O-N 3.12Å; K56-E99 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 57 | I | 77.5 | Confident | 86.8 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 44% | 0.436 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 132 | 169.4 | -59.9 | 165.4 | 0 | 0 | 0 | 108.8 | E59 E99 E100 | I57-E59 PolarHBondContact O-N 2.67Å; I57-E99 HydrophobicContact CG1-CB 3.68Å; I57-E99 HydrophobicContact CG1-CG 4.24Å; I57-E99 PolarHBondContact N-OE2 2.79Å; I57-E100 HydrophobicContact CD1-CB 3.93Å |
| 58 | A | 79.8 | Confident | 86.6 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 133.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y39 K56 F62 H97 | Y39-A58 HydrophobicContact CE1-CB 4.29Å; K56-A58 PolarHBondContact O-N 3.12Å; A58-F62 HydrophobicContact CB-CB 3.84Å; A58-H97 HydrophobicContact CB-CB 4.16Å; A58-H97 PolarHBondContact N-O 2.67Å |
| 59 | E | 80.1 | Confident | 86.6 | Confident | 170 Ų | 170 | 66.9 Ų | 66.9 | 79% | 0.794 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 142.1 | 177.2 | -66.1 | -177.9 | -172.6 | 0 | 0 | 111.3 | I57 F62 | I57-E59 PolarHBondContact O-N 2.67Å; E59-F62 VanDerWaalsContact O-CD2 3.26Å; E59-F62 WeakPolarHBondContact O-CD2 3.46Å |
| 60 | G | 78.3 | Confident | 86.6 | Confident | 63 Ų | 63 | 67 Ų | 67 | 65% | 0.649 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 63.9 | -141.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F62 | G60-F62 PolarHBondContact O-N 3.17Š|
| 61 | D | 80.3 | Confident | 86.6 | Confident | 135 Ų | 135 | 64.5 Ų | 64.5 | 72% | 0.722 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -81.8 | 8.5 | -175.3 | -63.5 | -25.3 | 0 | 0 | 0 | 113.7 | S63 R64 | D61-S63 PolarHBondContact O-N 3.44Å; D61-R64 WeakPolarHBondContact O-CD 3.23Å; D61-R64 VanDerWaalsContact O-CG 3.31Å; D61-R64 WeakPolarHBondContact O-CG 3.35Å |
| 62 | F | 86.2 | Confident | 86.7 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -74.5 | -13.7 | -179 | -64.3 | -36.7 | 0 | 0 | 0 | 113.8 | L38 Y39 A58 E59 G60 R64 W65 H97 | L38-F62 HydrophobicContact CB-CD1 4.28Å; L38-F62 HydrophobicContact CB-CD2 4.5Å; L38-F62 HydrophobicContact CB-CG 4.24Å; L38-F62 HydrophobicContact CD2-CD1 3.81Å; L38-F62 HydrophobicContact CD2-CE1 4.24Å; L38-F62 HydrophobicContact CD2-CG 4.44Å; L38-F62 WeakPolarHBondContact O-CE2 3.42Å; L38-F62 WeakPolarHBondContact O-CZ 3.3Å; Y39-F62 HydrophobicContact CD1-CD2 4.04Å; A58-F62 HydrophobicContact CB-CB 3.84Å; E59-F62 VanDerWaalsContact O-CD2 3.26Å; E59-F62 WeakPolarHBondContact O-CD2 3.46Å; G60-F62 PolarHBondContact O-N 3.17Å; F62-R64 PolarHBondContact O-N 2.98Å; F62-W65 PolarHBondContact O-N 3.45Å; F62-H97 PolarHBondContact O-CE1 3.17Å |
| 63 | S | 78.9 | Confident | 86.9 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -67.6 | -9.3 | 175.7 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | D61 L98 | D61-S63 PolarHBondContact O-N 3.44Å; S63-L98 WeakPolarHBondContact O-CD2 3.41Å |
| 64 | R | 82.8 | Confident | 87.2 | Confident | 113 Ų | 113 | 51.3 Ų | 51.3 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -82 | -12.8 | 175.3 | 77.7 | -166.5 | 179.7 | 100.4 | 13.5 | 114.6 | E21 D61 F62 E66 | E21-R64 VanDerWaalsContact CD-NH1 3.26Å; E21-R64 IonicContact OE1-CZ 2.71Å; E21-R64 IonicContact OE1-NH1 2.8Å; E21-R64 PolarHBondContact OE1-NH1 3.35Å; E21-R64 IonicContact OE1-NH2 3.98Å; E21-R64 PolarHBondContact OE1-NH2 3.06Å; E21-R64 IonicContact OE2-CZ 2.72Å; E21-R64 VanDerWaalsContact OE2-CZ 3.3Å; E21-R64 IonicContact OE2-NH1 3.72Å; E21-R64 PolarHBondContact OE2-NH1 2.78Å; E21-R64 IonicContact OE2-NH2 3.75Å; D61-R64 WeakPolarHBondContact O-CD 3.23Å; D61-R64 VanDerWaalsContact O-CG 3.31Å; D61-R64 WeakPolarHBondContact O-CG 3.35Å; F62-R64 PolarHBondContact O-N 2.98Å; R64-E66 PolarHBondContact O-N 2.97Å |
| 65 | W | 89.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | trans | -89.8 | 92.7 | -170.8 | -67.8 | 84 | 0 | 0 | 0 | 112 | G19 E21 D34 R36 L38 F62 L94 H97 | G19-W65 WeakPolarHBondContact O-CZ3 3.39Å; E21-W65 HydrophobicContact CB-CE3 4.02Å; E21-W65 HydrophobicContact CB-CZ3 3.89Å; E21-W65 HydrophobicContact CG-CE3 4.04Å; E21-W65 HydrophobicContact CG-CH2 3.66Å; E21-W65 HydrophobicContact CG-CZ2 4.35Å; E21-W65 HydrophobicContact CG-CZ3 3.5Å; D34-W65 HydrophobicContact CB-CH2 4.41Å; R36-W65 HydrophobicContact CB-CH2 3.43Å; R36-W65 VanDerWaalsContact CB-CH2 3.43Å; R36-W65 HydrophobicContact CB-CZ2 3.71Å; R36-W65 HydrophobicContact CB-CZ3 4.05Å; R36-W65 HydrophobicContact CG-CH2 4.39Å; R36-W65 HydrophobicContact CG-CZ2 4.24Å; L38-W65 HydrophobicContact CD1-CB 3.9Å; L38-W65 HydrophobicContact CD1-CG 4.12Å; L38-W65 HydrophobicContact CD2-CB 4.43Å; L38-W65 HydrophobicContact CD2-CD2 3.82Å; L38-W65 HydrophobicContact CD2-CG 3.76Å; F62-W65 PolarHBondContact O-N 3.45Å; W65-L94 WeakPolarHBondContact O-CD1 3.28Å; W65-H97 PolarHBondContact O-CE1 3.11Å; W65-H97 PolarHBondContact O-NE2 2.82Å | ||
| 66 | E | 88.9 | Confident | 88.5 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | trans | -86.9 | -17.4 | -167.3 | -65.8 | 170.5 | 165.5 | 0 | 0 | 114.1 | R64 A93 L94 L98 K113 L235 Y239 | R64-E66 PolarHBondContact O-N 2.97Å; E66-A93 WeakPolarHBondContact O-CA 3.44Å; E66-L94 PolarHBondContact O-N 2.81Å; E66-L98 HydrophobicContact CG-CD1 4.13Å; E66-K113 WeakPolarHBondContact OE1-CE 3.26Å; E66-K113 IonicContact OE1-NZ 3.65Å; E66-K113 PolarHBondContact OE1-NZ 3.16Å; E66-K113 IonicContact OE2-NZ 2.75Å; E66-K113 PolarHBondContact OE2-NZ 2.92Å; E66-L235 HydrophobicContact CB-CD1 4.33Å; E66-Y239 WeakPolarHBondContact CB-OH 3.34Å; E66-Y239 PolarHBondContact OE2-OH 3.42Å | ||
| 67 | L | 93.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.9 | 173.8 | -175.9 | 59.9 | 0 | 0 | 0 | 110.1 | G19 Y20 D91 W230 V231 L235 | G19-L67 CarbonylContact C-O 3.59Å; G19-L67 WeakPolarHBondContact CA-O 3.49Å; Y20-L67 HydrophobicContact CD1-CD2 3.75Å; Y20-L67 HydrophobicContact CG-CD2 4.32Å; Y20-L67 PolarHBondContact N-O 3.02Å; L67-D91 HydrophobicContact CD1-CB 4.17Å; L67-W230 HydrophobicContact CD1-CB 3.81Å; L67-W230 HydrophobicContact CD1-CD2 3.84Å; L67-W230 HydrophobicContact CD1-CE3 3.62Å; L67-W230 HydrophobicContact CD1-CG 3.95Å; L67-W230 HydrophobicContact CD1-CZ3 4.46Å; L67-W230 HydrophobicContact CD2-CB 3.49Å; L67-W230 VanDerWaalsContact CD2-CB 3.49Å; L67-W230 HydrophobicContact CD2-CG 4.36Å; L67-W230 HydrophobicContact CG-CB 4.33Å; L67-V231 HydrophobicContact CD2-CG2 3.89Å; L67-L235 HydrophobicContact CB-CD1 4.06Å |
| 68 | G | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -170.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W18 H92 | W18-G68 CarbonylContact O-C 3.49Å; W18-G68 WeakPolarHBondContact O-CA 3.24Å; G68-H92 PolarHBondContact N-O 2.92Å; G68-H92 PolarHBondContact O-CD2 2.83Å; G68-H92 PolarHBondContact O-N 2.91Å |
| 69 | A | 95.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 159.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | W18 W35 W88 | W18-A69 PolarHBondContact N-O 2.98Å; W18-A69 PolarHBondContact O-N 3.44Å; W35-A69 HydrophobicContact CH2-CB 4.01Å; W35-A69 HydrophobicContact CZ3-CB 4.28Å; A69-W88 HydrophobicContact CB-CE3 4.06Å; A69-W88 HydrophobicContact CB-CZ3 4.43Å |
| 70 | V | 95 | Very high | 91.6 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.7 | 171.7 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | M1 I15 E16 L41 S89 | M1-V70 HydrophobicContact CE-CB 4.45Å; M1-V70 HydrophobicContact CE-CG1 3.58Å; M1-V70 HydrophobicContact SD-CG1 3.88Å; I15-V70 HydrophobicContact CG2-CG1 3.62Å; E16-V70 CarbonylContact O-C 3.55Å; E16-V70 WeakPolarHBondContact O-CA 3.41Å; L41-V70 HydrophobicContact CD1-CG1 4.39Å; V70-S89 PolarHBondContact N-OG 2.89Å; V70-S89 PolarHBondContact O-N 2.83Å |
| 71 | R | 96.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.4 | 177.8 | -172.4 | 176.4 | 84.1 | 163.1 | 4.7 | 110.9 | I15 E16 W18 K81 A86 A87 W88 | I15-R71 CarbonylContact C-O 3.46Å; I15-R71 WeakPolarHBondContact CA-O 3.47Å; E16-R71 HydrophobicContact CB-CB 4.39Å; E16-R71 VanDerWaalsContact CD-NH2 3.34Å; E16-R71 PolarHBondContact N-O 3.17Å; E16-R71 PolarHBondContact O-N 3.03Å; E16-R71 IonicContact OE1-NH2 2.92Å; E16-R71 PolarHBondContact OE1-NH2 3.31Å; E16-R71 IonicContact OE2-CZ 2.72Å; E16-R71 IonicContact OE2-NE 2.68Å; E16-R71 PolarHBondContact OE2-NE 3.18Å; E16-R71 IonicContact OE2-NH2 3.82Å; E16-R71 PolarHBondContact OE2-NH2 3.17Å; W18-R71 VanDerWaalsContact CZ2-NH1 3.26Å; R71-K81 PolarHBondContact NH1-O 3.04Å; R71-K81 PolarHBondContact NH2-O 2.98Å; R71-A86 HydrophobicContact CG-CB 3.65Å; R71-A87 WeakPolarHBondContact CA-O 3.45Å; R71-W88 HydrophobicContact CB-CD2 4.05Å; R71-W88 HydrophobicContact CB-CE3 3.83Å; R71-W88 HydrophobicContact CB-CH2 4.14Å; R71-W88 HydrophobicContact CB-CZ2 4.34Å; R71-W88 HydrophobicContact CB-CZ3 3.87Å; R71-W88 VanDerWaalsContact CD-CE2 3.47Å; R71-W88 VanDerWaalsContact CD-CH2 3.49Å; R71-W88 HydrophobicContact CG-CD2 3.91Å; R71-W88 HydrophobicContact CG-CE3 4.18Å; R71-W88 HydrophobicContact CG-CH2 4.17Å; R71-W88 HydrophobicContact CG-CZ2 3.88Å; R71-W88 HydrophobicContact CG-CZ3 4.3Å |
| 72 | V | 97.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.4 | 169 | -175 | 0 | 0 | 0 | 0 | 108.5 | M1 W3 V8 V13 N14 I15 A86 A87 | M1-V72 HydrophobicContact CE-CG2 3.61Å; W3-V72 HydrophobicContact CD2-CG1 4.32Å; W3-V72 HydrophobicContact CD2-CG2 4.09Å; W3-V72 HydrophobicContact CE3-CG2 4.18Å; W3-V72 HydrophobicContact CG-CG2 4.38Å; W3-V72 HydrophobicContact CZ2-CG1 4.25Å; V8-V72 HydrophobicContact CG2-CG1 4.45Å; V8-V72 WeakPolarHBondContact CG2-O 3.36Å; V13-V72 HydrophobicContact CB-CG1 3.7Å; V13-V72 HydrophobicContact CG1-CG1 3.91Å; V13-V72 HydrophobicContact CG2-CG1 3.8Å; N14-V72 WeakPolarHBondContact O-CA 3.44Å; I15-V72 HydrophobicContact CG1-CG2 4.4Å; V72-A86 CarbonylContact O-C 3.59Å; V72-A86 WeakPolarHBondContact O-CA 3.16Å; V72-A86 VanDerWaalsContact O-CB 3.32Å; V72-A86 WeakPolarHBondContact O-CB 3.38Å; V72-A87 HydrophobicContact CB-CB 4.41Å; V72-A87 PolarHBondContact N-O 3.48Å; V72-A87 PolarHBondContact O-N 3.28Å |
| 73 | S | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 161.6 | -178.7 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | V13 N14 S75 | V13-S73 CarbonylContact C-O 3.45Å; V13-S73 WeakPolarHBondContact CA-O 3.5Å; V13-S73 VanDerWaalsContact CB-O 3.31Å; V13-S73 WeakPolarHBondContact CB-O 2.96Å; N14-S73 PolarHBondContact N-O 2.93Å; N14-S73 PolarHBondContact O-N 3.22Å; S73-S75 PolarHBondContact O-N 3.14Å |
| 74 | S | 97 | Very high | 94.2 | Very high | 11 Ų | 11 | 45 Ų | 45 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 138.2 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | S10 S76 Y77 | S10-S74 WeakPolarHBondContact CB-OG 3.09Å; S10-S74 PolarHBondContact OG-OG 3.2Å; S74-S76 WeakPolarHBondContact CB-OG 3.37Å; S74-S76 PolarHBondContact O-N 3.33Å; S74-S76 VanDerWaalsContact O-N 3.13Å; S74-S76 PolarHBondContact OG-N 3.19Å; S74-S76 PolarHBondContact OG-OG 2.74Å; S74-Y77 PolarHBondContact O-N 3.12Å; S74-Y77 VanDerWaalsContact O-N 3.07Å |
| 75 | S | 96.7 | Very high | 94.7 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.6 | 174.2 | -63.1 | 0 | 0 | 0 | 0 | 114.3 | K12 V13 N14 D44 S73 Y77 | K12-S75 VanDerWaalsContact C-OG 3.31Å; K12-S75 PolarHBondContact O-N 3.22Å; K12-S75 PolarHBondContact O-OG 3.03Å; V13-S75 VanDerWaalsContact CA-OG 3.27Å; V13-S75 WeakPolarHBondContact CA-OG 3.37Å; V13-S75 PolarHBondContact N-OG 2.84Å; V13-S75 VanDerWaalsContact N-OG 3.14Å; V13-S75 PolarHBondContact O-OG 3.03Å; N14-S75 PolarHBondContact N-OG 2.89Å; N14-S75 WeakPolarHBondContact OD1-CA 3.45Å; N14-S75 WeakPolarHBondContact OD1-CB 3.31Å; N14-S75 PolarHBondContact OD1-OG 3.31Å; D44-S75 VanDerWaalsContact CA-OG 3.31Å; D44-S75 WeakPolarHBondContact CA-OG 3.41Å; D44-S75 PolarHBondContact N-OG 3.22Å; D44-S75 WeakPolarHBondContact OD1-CB 3.3Å; S73-S75 PolarHBondContact O-N 3.14Å; S75-Y77 PolarHBondContact O-N 3.36Å |
| 76 | S | 96.1 | Very high | 95 | Very high | 92 Ų | 92 | 45.9 Ų | 45.9 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.7 | 170.7 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | S74 | S74-S76 WeakPolarHBondContact CB-OG 3.37Å; S74-S76 PolarHBondContact O-N 3.33Å; S74-S76 VanDerWaalsContact O-N 3.13Å; S74-S76 PolarHBondContact OG-N 3.19Å; S74-S76 PolarHBondContact OG-OG 2.74Å |
| 77 | Y | 96.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 44.5 Ų | 44.5 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -86.3 | 139.8 | 176.3 | -61.6 | -54.1 | 0 | 0 | 0 | 111.2 | N14 S74 S75 K81 V84 | N14-Y77 PolarHBondContact ND2-O 3.42Å; S74-Y77 PolarHBondContact O-N 3.12Å; S74-Y77 VanDerWaalsContact O-N 3.07Å; S75-Y77 PolarHBondContact O-N 3.36Å; Y77-K81 HydrophobicContact CD1-CD 4.1Å; Y77-V84 HydrophobicContact CD1-CG1 3.77Å; Y77-V84 HydrophobicContact CD2-CB 3.7Å; Y77-V84 HydrophobicContact CD2-CG1 3.79Å; Y77-V84 HydrophobicContact CD2-CG2 4.23Å; Y77-V84 HydrophobicContact CE1-CB 4.48Å; Y77-V84 HydrophobicContact CE1-CG1 3.97Å; Y77-V84 HydrophobicContact CE2-CB 3.67Å; Y77-V84 HydrophobicContact CE2-CG1 3.99Å; Y77-V84 HydrophobicContact CG-CB 4.14Å; Y77-V84 HydrophobicContact CG-CG1 3.67Å |
| 78 | P | 95.3 | Very high | 95.3 | Very high | 87 Ų | 87 | 49.7 Ų | 49.7 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 149.5 | 164.6 | -22 | 31.9 | 0 | 0 | 0 | 111.5 | G80 K81 | P78-G80 PolarHBondContact O-N 2.73Å; P78-K81 VanDerWaalsContact O-CB 3.29Å; P78-K81 WeakPolarHBondContact O-CB 3.25Å; P78-K81 PolarHBondContact O-N 2.95Å |
| 79 | D | 93.4 | Very high | 95.3 | Very high | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 140.5 | 173.6 | -68.6 | -35.4 | 0 | 0 | 0 | 111.3 | E16 Y37 S40 K43 K81 | E16-D79 WeakPolarHBondContact OE1-CA 3.46Å; Y37-D79 HydrophobicContact CE1-CB 4.17Å; Y37-D79 HydrophobicContact CE2-CB 4.01Å; S40-D79 VanDerWaalsContact OG-CG 3.28Å; S40-D79 PolarHBondContact OG-OD1 2.51Å; K43-D79 WeakPolarHBondContact CE-OD1 3.19Å; K43-D79 WeakPolarHBondContact CE-OD2 3.42Å; K43-D79 IonicContact NZ-OD1 3.45Å; K43-D79 IonicContact NZ-OD2 2.61Å; K43-D79 PolarHBondContact NZ-OD2 3.47Å; D79-K81 PolarHBondContact O-N 3.36Å; D79-K81 VanDerWaalsContact O-N 3.11Å |
| 80 | G | 94.5 | Very high | 95 | Very high | 14 Ų | 14 | 60 Ų | 60 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 6.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | E16 W18 Y37 P78 W82 | E16-G80 PolarHBondContact OE1-N 3.19Å; W18-G80 VanDerWaalsContact CH2-O 3.3Å; W18-G80 WeakPolarHBondContact CH2-O 3.48Å; Y37-G80 VanDerWaalsContact CG-CA 3.45Å; P78-G80 PolarHBondContact O-N 2.73Å; G80-W82 PolarHBondContact O-N 2.83Å |
| 81 | K | 96.2 | Very high | 94.9 | Very high | 99 Ų | 99 | 60.5 Ų | 60.5 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | trans | -65.6 | 124.4 | 179.5 | -174.6 | 171.8 | 176.1 | 178.9 | 0 | 110.7 | R71 Y77 P78 D79 V84 | R71-K81 PolarHBondContact NH1-O 3.04Å; R71-K81 PolarHBondContact NH2-O 2.98Å; Y77-K81 HydrophobicContact CD1-CD 4.1Å; P78-K81 VanDerWaalsContact O-CB 3.29Å; P78-K81 WeakPolarHBondContact O-CB 3.25Å; P78-K81 PolarHBondContact O-N 2.95Å; D79-K81 PolarHBondContact O-N 3.36Å; D79-K81 VanDerWaalsContact O-N 3.11Å; K81-V84 HydrophobicContact CB-CG1 4.09Å; K81-V84 HydrophobicContact CD-CG1 3.93Å; K81-V84 HydrophobicContact CG-CG1 3.77Å | ||
| 82 | W | 94.7 | Very high | 94.5 | Very high | 135 Ų | 135 | 62.9 Ų | 62.9 | 51% | 0.511 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -71.5 | 157.5 | 174.9 | -76.4 | 102 | 0 | 0 | 0 | 113 | W18 W35 G80 V84 | W18-W82 HydrophobicContact CE3-CH2 4.41Å; W18-W82 HydrophobicContact CE3-CZ2 4.38Å; W18-W82 HydrophobicContact CH2-CD2 4.05Å; W18-W82 AromaticContact CH2-CE2 3.89Å; W18-W82 HydrophobicContact CH2-CE3 4.46Å; W18-W82 HydrophobicContact CH2-CG 4.47Å; W18-W82 HydrophobicContact CH2-CZ2 4.23Å; W18-W82 HydrophobicContact CZ3-CD2 4.12Å; W18-W82 AromaticContact CZ3-CE2 3.61Å; W18-W82 HydrophobicContact CZ3-CE3 4.39Å; W18-W82 AromaticContact CZ3-CH2 3.81Å; W18-W82 HydrophobicContact CZ3-CH2 3.81Å; W18-W82 AromaticContact CZ3-CZ2 3.49Å; W18-W82 HydrophobicContact CZ3-CZ2 3.49Å; W18-W82 VanDerWaalsContact CZ3-CZ2 3.49Å; W18-W82 HydrophobicContact CZ3-CZ3 4.24Å; W35-W82 HydrophobicContact CB-CH2 3.57Å; W35-W82 HydrophobicContact CB-CZ2 4.09Å; W35-W82 HydrophobicContact CG-CH2 4.44Å; W35-W82 WeakPolarHBondContact O-CZ2 3.36Å; G80-W82 PolarHBondContact O-N 2.83Å; W82-V84 PolarHBondContact O-N 3.05Å |
| 83 | N | 92.8 | Very high | 94.2 | Very high | 163 Ų | 163 | 63.3 Ų | 63.3 | 87% | 0.872 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 56.3 | 47 | 171.6 | -54 | -37.4 | 0 | 0 | 0 | 113.7 | ||
| 84 | V | 94 | Very high | 93.7 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 13% | 0.127 | 33% | 0.329 | C | S | . | . | trans | -110.1 | 151.7 | 175.2 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | Y77 K81 W82 A86 | Y77-V84 HydrophobicContact CD1-CG1 3.77Å; Y77-V84 HydrophobicContact CD2-CB 3.7Å; Y77-V84 HydrophobicContact CD2-CG1 3.79Å; Y77-V84 HydrophobicContact CD2-CG2 4.23Å; Y77-V84 HydrophobicContact CE1-CB 4.48Å; Y77-V84 HydrophobicContact CE1-CG1 3.97Å; Y77-V84 HydrophobicContact CE2-CB 3.67Å; Y77-V84 HydrophobicContact CE2-CG1 3.99Å; Y77-V84 HydrophobicContact CG-CB 4.14Å; Y77-V84 HydrophobicContact CG-CG1 3.67Å; K81-V84 HydrophobicContact CB-CG1 4.09Å; K81-V84 HydrophobicContact CD-CG1 3.93Å; K81-V84 HydrophobicContact CG-CG1 3.77Å; W82-V84 PolarHBondContact O-N 3.05Å; V84-A86 HydrophobicContact CG2-CB 4.39Å; V84-A86 PolarHBondContact O-N 2.95Å | ||
| 85 | Q | 94.2 | Very high | 92.7 | Very high | 109 Ų | 109 | 63.3 Ų | 63.3 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | trans | -61.1 | 119.3 | 167.9 | -177.2 | -178.1 | 6.5 | 0 | 0 | 109 | L7 | L7-Q85 PolarHBondContact O-NE2 3.06Š| ||
| 86 | A | 95.2 | Very high | 91.7 | Very high | 24 Ų | 24 | 64.7 Ų | 64.7 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 153.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R71 V72 V84 | R71-A86 HydrophobicContact CG-CB 3.65Å; V72-A86 CarbonylContact O-C 3.59Å; V72-A86 WeakPolarHBondContact O-CA 3.16Å; V72-A86 VanDerWaalsContact O-CB 3.32Å; V72-A86 WeakPolarHBondContact O-CB 3.38Å; V84-A86 HydrophobicContact CG2-CB 4.39Å; V84-A86 PolarHBondContact O-N 2.95Å |
| 87 | A | 95.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L7 V8 R71 V72 | L7-A87 HydrophobicContact CB-CB 4.04Å; L7-A87 HydrophobicContact CD1-CB 3.94Å; V8-A87 HydrophobicContact CG2-CB 4.22Å; R71-A87 WeakPolarHBondContact CA-O 3.45Å; V72-A87 HydrophobicContact CB-CB 4.41Å; V72-A87 PolarHBondContact N-O 3.48Å; V72-A87 PolarHBondContact O-N 3.28Å |
| 88 | W | 94.6 | Very high | 89.3 | Confident | 112 Ų | 112 | 57.5 Ų | 57.5 | 42% | 0.424 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.7 | 177.1 | -68.7 | 86.4 | 0 | 0 | 0 | 109.5 | W18 W35 A69 R71 | W18-W88 HydrophobicContact CB-CH2 4.27Å; W18-W88 HydrophobicContact CB-CZ3 3.82Å; W18-W88 AromaticContact CD1-CH2 3.95Å; W18-W88 AromaticContact CD1-CZ3 3.87Å; W18-W88 AromaticContact CD2-CH2 3.76Å; W18-W88 HydrophobicContact CD2-CH2 3.76Å; W18-W88 HydrophobicContact CD2-CZ3 4.21Å; W18-W88 HydrophobicContact CE3-CH2 4.28Å; W18-W88 AromaticContact CG-CH2 3.73Å; W18-W88 HydrophobicContact CG-CH2 3.73Å; W18-W88 AromaticContact CG-CZ3 3.67Å; W18-W88 HydrophobicContact CG-CZ3 3.67Å; W35-W88 HydrophobicContact CZ3-CZ3 4.42Å; A69-W88 HydrophobicContact CB-CE3 4.06Å; A69-W88 HydrophobicContact CB-CZ3 4.43Å; R71-W88 HydrophobicContact CB-CD2 4.05Å; R71-W88 HydrophobicContact CB-CE3 3.83Å; R71-W88 HydrophobicContact CB-CH2 4.14Å; R71-W88 HydrophobicContact CB-CZ2 4.34Å; R71-W88 HydrophobicContact CB-CZ3 3.87Å; R71-W88 VanDerWaalsContact CD-CE2 3.47Å; R71-W88 VanDerWaalsContact CD-CH2 3.49Å; R71-W88 HydrophobicContact CG-CD2 3.91Å; R71-W88 HydrophobicContact CG-CE3 4.18Å; R71-W88 HydrophobicContact CG-CH2 4.17Å; R71-W88 HydrophobicContact CG-CZ2 3.88Å; R71-W88 HydrophobicContact CG-CZ3 4.3Å |
| 89 | S | 93.6 | Very high | 87.7 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 165.9 | 161.4 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | V70 | V70-S89 PolarHBondContact N-OG 2.89Å; V70-S89 PolarHBondContact O-N 2.83Å |
| 90 | E | 90 | Very high | 86.5 | Confident | 170 Ų | 170 | 58.3 Ų | 58.3 | 79% | 0.794 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 160.4 | 157.7 | -64.9 | -180 | 177.9 | 0 | 0 | 110.1 | ||
| 91 | D | 91 | Very high | 85.2 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -59 | 140.7 | 169.8 | -71.1 | -33 | 0 | 0 | 0 | 109.6 | L67 Q227 W230 | L67-D91 HydrophobicContact CD1-CB 4.17Å; D91-Q227 PolarHBondContact OD2-NE2 3.01Å; D91-W230 HydrophobicContact CB-CD2 4.08Å; D91-W230 HydrophobicContact CB-CG 4.06Å; D91-W230 HydrophobicContact CB-CZ2 4.41Å; D91-W230 WeakPolarHBondContact O-CH2 3.36Å; D91-W230 WeakPolarHBondContact O-CZ2 3.44Å |
| 92 | H | 90 | Very high | 84.1 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 155 | 175 | 68.1 | 100.9 | 0 | 0 | 0 | 112.2 | G68 L94 W96 | G68-H92 PolarHBondContact N-O 2.92Å; G68-H92 PolarHBondContact O-CD2 2.83Å; G68-H92 PolarHBondContact O-N 2.91Å; H92-L94 VanDerWaalsContact CE1-CD2 3.47Å; H92-L94 WeakPolarHBondContact CE1-CD2 3.41Å; H92-L94 PolarHBondContact O-N 3.08Å; H92-W96 AromaticContact CE1-NE1 3.63Å |
| 93 | A | 89.8 | Confident | 83 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 128.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E66 A95 L235 Y238 W243 | E66-A93 WeakPolarHBondContact O-CA 3.44Å; A93-A95 PolarHBondContact O-N 3.26Å; A93-L235 HydrophobicContact CB-CD2 3.54Å; A93-Y238 HydrophobicContact CB-CD2 3.86Å; A93-Y238 HydrophobicContact CB-CE2 3.95Å; A93-W243 HydrophobicContact CB-CH2 3.76Å; A93-W243 HydrophobicContact CB-CZ2 4.42Å |
| 94 | L | 87.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -82.9 | 10.4 | -178.9 | -68.5 | -174.9 | 0 | 0 | 0 | 113.2 | V17 L38 W65 E66 H92 W96 H97 | V17-L94 HydrophobicContact CG1-CD1 4.07Å; V17-L94 HydrophobicContact CG1-CD2 4.19Å; L38-L94 HydrophobicContact CD1-CD1 4.12Å; W65-L94 WeakPolarHBondContact O-CD1 3.28Å; E66-L94 PolarHBondContact O-N 2.81Å; H92-L94 VanDerWaalsContact CE1-CD2 3.47Å; H92-L94 WeakPolarHBondContact CE1-CD2 3.41Å; H92-L94 PolarHBondContact O-N 3.08Å; L94-W96 HydrophobicContact CD2-CZ2 4.37Å; L94-W96 PolarHBondContact O-N 2.82Å; L94-H97 VanDerWaalsContact C-CD2 3.43Å; L94-H97 WeakPolarHBondContact CB-NE2 3.34Å; L94-H97 PolarHBondContact O-CD2 2.84Å; L94-H97 PolarHBondContact O-N 2.92Å | ||
| 95 | A | 76.4 | Confident | 82.1 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -36.4 | -32.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | A93 H97 L98 W243 | A93-A95 PolarHBondContact O-N 3.26Å; A95-H97 PolarHBondContact O-N 3.49Å; A95-L98 WeakPolarHBondContact O-CB 3.48Å; A95-L98 PolarHBondContact O-N 3.23Å; A95-L98 VanDerWaalsContact O-N 3.08Å; A95-W243 HydrophobicContact CB-CH2 3.6Å; A95-W243 HydrophobicContact CB-CZ2 4.27Å; A95-W243 HydrophobicContact CB-CZ3 4.09Å |
| 96 | W | 74.3 | Confident | 81.7 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -62 | -22.2 | 175.3 | 62.4 | -89.6 | 0 | 0 | 0 | 115.2 | V17 L41 F53 P55 H92 L94 | V17-W96 HydrophobicContact CG2-CH2 3.96Å; V17-W96 HydrophobicContact CG2-CZ2 4.33Å; L41-W96 HydrophobicContact CD2-CH2 3.73Å; L41-W96 HydrophobicContact CD2-CZ3 4.14Å; F53-W96 HydrophobicContact CD2-CZ3 4.28Å; F53-W96 HydrophobicContact CE2-CD2 4.21Å; F53-W96 AromaticContact CE2-CE3 3.62Å; F53-W96 HydrophobicContact CE2-CE3 3.62Å; F53-W96 AromaticContact CE2-CH2 3.63Å; F53-W96 HydrophobicContact CE2-CH2 3.63Å; F53-W96 HydrophobicContact CE2-CZ2 4.25Å; F53-W96 AromaticContact CE2-CZ3 3.29Å; F53-W96 HydrophobicContact CE2-CZ3 3.29Å; F53-W96 HydrophobicContact CZ-CD2 4.31Å; F53-W96 HydrophobicContact CZ-CE3 4.13Å; F53-W96 AromaticContact CZ-CH2 3.69Å; F53-W96 HydrophobicContact CZ-CH2 3.69Å; F53-W96 AromaticContact CZ-CZ2 3.91Å; F53-W96 HydrophobicContact CZ-CZ2 3.91Å; F53-W96 AromaticContact CZ-CZ3 3.83Å; F53-W96 HydrophobicContact CZ-CZ3 3.83Å; P55-W96 HydrophobicContact CB-CB 3.85Å; P55-W96 HydrophobicContact CB-CD2 4.42Å; P55-W96 HydrophobicContact CB-CE3 3.81Å; P55-W96 HydrophobicContact CB-CG 4.5Å; P55-W96 HydrophobicContact CG-CB 3.92Å; P55-W96 HydrophobicContact CG-CE3 4.24Å; P55-W96 HydrophobicContact CG-CG 4.47Å; H92-W96 AromaticContact CE1-NE1 3.63Å; L94-W96 HydrophobicContact CD2-CZ2 4.37Å; L94-W96 PolarHBondContact O-N 2.82Å |
| 97 | H | 75.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -89.8 | -6.2 | 173.3 | 78.8 | 154.6 | 0 | 0 | 0 | 113.8 | A58 F62 W65 L94 A95 E99 | A58-H97 HydrophobicContact CB-CB 4.16Å; A58-H97 PolarHBondContact N-O 2.67Å; F62-H97 PolarHBondContact O-CE1 3.17Å; W65-H97 PolarHBondContact O-CE1 3.11Å; W65-H97 PolarHBondContact O-NE2 2.82Å; L94-H97 VanDerWaalsContact C-CD2 3.43Å; L94-H97 WeakPolarHBondContact CB-NE2 3.34Å; L94-H97 PolarHBondContact O-CD2 2.84Å; L94-H97 PolarHBondContact O-N 2.92Å; A95-H97 PolarHBondContact O-N 3.49Å; H97-E99 PolarHBondContact O-N 3.08Å |
| 98 | L | 67.1 | Low | 81.3 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -90.2 | 22.2 | 177.3 | -49.5 | -179.8 | 0 | 0 | 0 | 112 | S63 E66 A95 E100 S101 F102 W109 | S63-L98 WeakPolarHBondContact O-CD2 3.41Å; E66-L98 HydrophobicContact CG-CD1 4.13Å; A95-L98 WeakPolarHBondContact O-CB 3.48Å; A95-L98 PolarHBondContact O-N 3.23Å; A95-L98 VanDerWaalsContact O-N 3.08Å; L98-E100 PolarHBondContact O-N 3.12Å; L98-E100 VanDerWaalsContact O-N 3.17Å; L98-S101 PolarHBondContact O-OG 2.8Å; L98-F102 PolarHBondContact O-N 2.89Å; L98-W109 HydrophobicContact CD1-CH2 3.52Å; L98-W109 HydrophobicContact CD1-CZ2 3.31Å |
| 99 | E | 62.9 | Low | 81 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -40.3 | -148.1 | 178.9 | -165.4 | 165.6 | 0 | 0 | 115.4 | K56 I57 H97 R103 | K56-E99 WeakPolarHBondContact CA-OE2 3.45Å; I57-E99 HydrophobicContact CG1-CB 3.68Å; I57-E99 HydrophobicContact CG1-CG 4.24Å; I57-E99 PolarHBondContact N-OE2 2.79Å; H97-E99 PolarHBondContact O-N 3.08Å; E99-R103 HydrophobicContact CG-CG 4.03Å; E99-R103 WeakPolarHBondContact O-CB 3.36Å; E99-R103 WeakPolarHBondContact O-CG 3.38Å; E99-R103 PolarHBondContact O-N 3.35Å; E99-R103 IonicContact OE1-CZ 3.42Å; E99-R103 IonicContact OE1-NE 2.66Å; E99-R103 PolarHBondContact OE1-NE 3.35Å; E99-R103 IonicContact OE1-NH1 3.53Å; E99-R103 PolarHBondContact OE1-NH1 2.86Å; E99-R103 IonicContact OE1-NH2 2.78Å; E99-R103 PolarHBondContact OE1-NH2 3.32Å; E99-R103 IonicContact OE2-NH2 3.56Å |
| 100 | E | 67.6 | Low | 80.9 | Confident | 124 Ų | 124 | 54.5 Ų | 54.5 | 58% | 0.579 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.8 | -49.2 | -170.7 | -168.8 | 163 | -154.5 | 0 | 0 | 113 | I57 L98 R103 Q104 | I57-E100 HydrophobicContact CD1-CB 3.93Å; L98-E100 PolarHBondContact O-N 3.12Å; L98-E100 VanDerWaalsContact O-N 3.17Å; E100-R103 PolarHBondContact O-N 3.42Å; E100-Q104 VanDerWaalsContact O-CG 3.26Å; E100-Q104 WeakPolarHBondContact O-CG 3.47Å; E100-Q104 PolarHBondContact O-N 3.08Å; E100-Q104 VanDerWaalsContact O-N 3.13Å |
| 101 | S | 67.3 | Low | 81.1 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 40% | 0.399 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 177 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | L98 Q104 N105 | L98-S101 PolarHBondContact O-OG 2.8Å; S101-Q104 PolarHBondContact O-N 3.25Å; S101-N105 PolarHBondContact O-N 3.17Å |
| 102 | F | 72.6 | Confident | 81.2 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 23% | 0.228 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 178.3 | -169.8 | -95.7 | 0 | 0 | 0 | 112.5 | L98 S106 W109 W243 | L98-F102 PolarHBondContact O-N 2.89Å; F102-S106 WeakPolarHBondContact O-CA 3.33Å; F102-S106 VanDerWaalsContact O-CB 3.24Å; F102-S106 WeakPolarHBondContact O-CB 3.5Å; F102-S106 PolarHBondContact O-N 3.05Å; F102-W109 HydrophobicContact CD2-CD2 4.26Å; F102-W109 AromaticContact CD2-CE3 3.65Å; F102-W109 HydrophobicContact CD2-CE3 3.65Å; F102-W109 HydrophobicContact CD2-CZ3 4.05Å; F102-W109 HydrophobicContact CE2-CE3 4.13Å; F102-W109 HydrophobicContact CE2-CZ3 4.3Å; F102-W243 HydrophobicContact CE2-CD2 4.34Å; F102-W243 HydrophobicContact CE2-CE3 4.19Å |
| 103 | R | 72.6 | Confident | 81.3 | Confident | 160 Ų | 160 | 53.3 Ų | 53.3 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72.3 | -31.7 | 177.1 | -77.8 | -172.8 | -179.9 | 173.3 | 15.3 | 113.5 | E99 E100 | E99-R103 HydrophobicContact CG-CG 4.03Å; E99-R103 WeakPolarHBondContact O-CB 3.36Å; E99-R103 WeakPolarHBondContact O-CG 3.38Å; E99-R103 PolarHBondContact O-N 3.35Å; E99-R103 IonicContact OE1-CZ 3.42Å; E99-R103 IonicContact OE1-NE 2.66Å; E99-R103 PolarHBondContact OE1-NE 3.35Å; E99-R103 IonicContact OE1-NH1 3.53Å; E99-R103 PolarHBondContact OE1-NH1 2.86Å; E99-R103 IonicContact OE1-NH2 2.78Å; E99-R103 PolarHBondContact OE1-NH2 3.32Å; E99-R103 IonicContact OE2-NH2 3.56Å; E100-R103 PolarHBondContact O-N 3.42Å |
| 104 | Q | 80.9 | Confident | 81.7 | Confident | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72 | -46.2 | 178.5 | -73.7 | 175.9 | 14.3 | 0 | 0 | 111.6 | E100 S101 | E100-Q104 VanDerWaalsContact O-CG 3.26Å; E100-Q104 WeakPolarHBondContact O-CG 3.47Å; E100-Q104 PolarHBondContact O-N 3.08Å; E100-Q104 VanDerWaalsContact O-N 3.13Å; S101-Q104 PolarHBondContact O-N 3.25Å |
| 105 | N | 86.8 | Confident | 82.1 | Confident | 94 Ų | 94 | 55.9 Ų | 55.9 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -157 | 82.3 | 178.1 | -176.5 | 7.2 | 0 | 0 | 0 | 111.1 | S101 A107 G108 W109 | S101-N105 PolarHBondContact O-N 3.17Å; N105-A107 VanDerWaalsContact C-N 3.3Å; N105-A107 PolarHBondContact O-N 3.22Å; N105-G108 PolarHBondContact O-N 2.88Å; N105-G108 PolarHBondContact OD1-N 2.71Å; N105-W109 WeakPolarHBondContact O-CB 3.33Å; N105-W109 PolarHBondContact O-N 3.4Å |
| 106 | S | 85.4 | Confident | 83 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -40.7 | -178.8 | 51.9 | 0 | 0 | 0 | 0 | 113 | F102 A110 | F102-S106 WeakPolarHBondContact O-CA 3.33Å; F102-S106 VanDerWaalsContact O-CB 3.24Å; F102-S106 WeakPolarHBondContact O-CB 3.5Å; F102-S106 PolarHBondContact O-N 3.05Å; S106-A110 WeakPolarHBondContact O-CB 3.46Å; S106-A110 PolarHBondContact O-N 2.97Å |
| 107 | A | 90.4 | Very high | 84.1 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.4 | -42.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N105 A110 L111 W243 | N105-A107 VanDerWaalsContact C-N 3.3Å; N105-A107 PolarHBondContact O-N 3.22Å; A107-A110 PolarHBondContact O-N 3.06Å; A107-L111 WeakPolarHBondContact O-CB 3.42Å; A107-L111 PolarHBondContact O-N 3.02Å; A107-W243 WeakPolarHBondContact CA-O 3.3Å |
| 108 | G | 91.3 | Very high | 85.1 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N105 A110 L111 D112 | N105-G108 PolarHBondContact O-N 2.88Å; N105-G108 PolarHBondContact OD1-N 2.71Å; G108-A110 VanDerWaalsContact C-N 3.34Å; G108-A110 PolarHBondContact O-N 2.91Å; G108-L111 WeakPolarHBondContact O-CB 3.34Å; G108-L111 PolarHBondContact O-N 3.06Å; G108-D112 PolarHBondContact O-N 3.04Å |
| 109 | W | 88.5 | Confident | 86.5 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 13% | 0.125 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.9 | 175.7 | 89.3 | 0 | 0 | 0 | 111.9 | L98 F102 N105 L111 D112 K113 Y239 W243 | L98-W109 HydrophobicContact CD1-CH2 3.52Å; L98-W109 HydrophobicContact CD1-CZ2 3.31Å; F102-W109 HydrophobicContact CD2-CD2 4.26Å; F102-W109 AromaticContact CD2-CE3 3.65Å; F102-W109 HydrophobicContact CD2-CE3 3.65Å; F102-W109 HydrophobicContact CD2-CZ3 4.05Å; F102-W109 HydrophobicContact CE2-CE3 4.13Å; F102-W109 HydrophobicContact CE2-CZ3 4.3Å; N105-W109 WeakPolarHBondContact O-CB 3.33Å; N105-W109 PolarHBondContact O-N 3.4Å; W109-L111 VanDerWaalsContact C-N 3.32Å; W109-L111 PolarHBondContact O-N 3.04Å; W109-D112 PolarHBondContact O-N 2.88Å; W109-K113 HydrophobicContact CD2-CG 4.25Å; W109-K113 HydrophobicContact CE3-CG 4.42Å; W109-K113 HydrophobicContact CH2-CG 3.96Å; W109-K113 HydrophobicContact CZ2-CD 4.26Å; W109-K113 HydrophobicContact CZ2-CG 3.72Å; W109-K113 HydrophobicContact CZ3-CG 4.3Å; W109-K113 WeakPolarHBondContact O-CG 3.28Å; W109-K113 PolarHBondContact O-N 3.33Å; W109-K113 VanDerWaalsContact O-N 3.08Å; W109-Y239 HydrophobicContact CH2-CD1 4.14Å; W109-Y239 AromaticContact CH2-CE1 3.53Å; W109-Y239 HydrophobicContact CH2-CE1 3.53Å; W109-Y239 AromaticContact CZ3-CD1 3.92Å; W109-Y239 HydrophobicContact CZ3-CD1 3.92Å; W109-Y239 AromaticContact CZ3-CE1 3.75Å; W109-Y239 HydrophobicContact CZ3-CE1 3.75Å; W109-W243 HydrophobicContact CH2-CZ3 4.46Å; W109-W243 AromaticContact CZ3-CE3 3.95Å; W109-W243 HydrophobicContact CZ3-CE3 3.95Å; W109-W243 AromaticContact CZ3-CZ3 3.91Å; W109-W243 HydrophobicContact CZ3-CZ3 3.91Å |
| 110 | A | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.6 | -36 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S106 A107 G108 K113 C114 W243 | S106-A110 WeakPolarHBondContact O-CB 3.46Å; S106-A110 PolarHBondContact O-N 2.97Å; A107-A110 PolarHBondContact O-N 3.06Å; G108-A110 VanDerWaalsContact C-N 3.34Å; G108-A110 PolarHBondContact O-N 2.91Å; A110-K113 PolarHBondContact O-N 2.89Å; A110-C114 WeakPolarHBondContact O-CB 3.45Å; A110-C114 PolarHBondContact O-N 3.49Å; A110-W243 HydrophobicContact CB-CB 3.52Å |
| 111 | L | 94.6 | Very high | 89.3 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 173.8 | 179.1 | 59.4 | 0 | 0 | 0 | 111.1 | A107 G108 W109 K113 C114 L115 N246 Y249 | A107-L111 WeakPolarHBondContact O-CB 3.42Å; A107-L111 PolarHBondContact O-N 3.02Å; G108-L111 WeakPolarHBondContact O-CB 3.34Å; G108-L111 PolarHBondContact O-N 3.06Å; W109-L111 VanDerWaalsContact C-N 3.32Å; W109-L111 PolarHBondContact O-N 3.04Å; L111-K113 VanDerWaalsContact C-N 3.26Å; L111-K113 PolarHBondContact O-N 3.44Å; L111-C114 WeakPolarHBondContact O-CB 3.23Å; L111-C114 PolarHBondContact O-N 3.32Å; L111-C114 VanDerWaalsContact O-N 3.13Å; L111-L115 HydrophobicContact CD1-CD1 4.22Å; L111-L115 HydrophobicContact CD1-CD2 4.49Å; L111-L115 HydrophobicContact CD1-CG 4.06Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 HydrophobicContact CG-CG 4.35Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.23Å; L111-L115 PolarHBondContact O-N 2.83Å; L111-N246 HydrophobicContact CD1-CB 4.19Å; L111-Y249 HydrophobicContact CD1-CE2 4.42Å |
| 112 | D | 93.1 | Very high | 90.7 | Very high | 108 Ų | 108 | 61.2 Ų | 61.2 | 58% | 0.578 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.1 | -40.2 | 177.2 | -70.2 | -23.2 | 0 | 0 | 0 | 111.4 | G108 W109 L115 A116 | G108-D112 PolarHBondContact O-N 3.04Å; W109-D112 PolarHBondContact O-N 2.88Å; D112-L115 PolarHBondContact O-N 3.06Å; D112-A116 WeakPolarHBondContact O-CB 3.4Å; D112-A116 PolarHBondContact O-N 2.86Å |
| 113 | K | 92.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 65.2 Ų | 65.2 | 27% | 0.274 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 173.3 | -69.4 | -60.4 | -170.9 | 166.5 | 0 | 113 | E66 W109 A110 L111 L115 A116 W117 Y239 | E66-K113 WeakPolarHBondContact OE1-CE 3.26Å; E66-K113 IonicContact OE1-NZ 3.65Å; E66-K113 PolarHBondContact OE1-NZ 3.16Å; E66-K113 IonicContact OE2-NZ 2.75Å; E66-K113 PolarHBondContact OE2-NZ 2.92Å; W109-K113 HydrophobicContact CD2-CG 4.25Å; W109-K113 HydrophobicContact CE3-CG 4.42Å; W109-K113 HydrophobicContact CH2-CG 3.96Å; W109-K113 HydrophobicContact CZ2-CD 4.26Å; W109-K113 HydrophobicContact CZ2-CG 3.72Å; W109-K113 HydrophobicContact CZ3-CG 4.3Å; W109-K113 WeakPolarHBondContact O-CG 3.28Å; W109-K113 PolarHBondContact O-N 3.33Å; W109-K113 VanDerWaalsContact O-N 3.08Å; A110-K113 PolarHBondContact O-N 2.89Å; L111-K113 VanDerWaalsContact C-N 3.26Å; L111-K113 PolarHBondContact O-N 3.44Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 3.11Å; K113-A116 PolarHBondContact O-N 2.65Å; K113-W117 WeakPolarHBondContact O-CB 3.47Å; K113-W117 PolarHBondContact O-N 2.93Å; K113-Y239 HydrophobicContact CB-CD1 4Å; K113-Y239 HydrophobicContact CB-CD2 3.7Å; K113-Y239 HydrophobicContact CB-CE1 4.39Å; K113-Y239 HydrophobicContact CB-CE2 4.11Å; K113-Y239 HydrophobicContact CB-CG 3.65Å; K113-Y239 HydrophobicContact CG-CD1 4.48Å; K113-Y239 HydrophobicContact CG-CE1 4.49Å |
| 114 | C | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | A110 L111 W117 D118 C240 Y249 | A110-C114 WeakPolarHBondContact O-CB 3.45Å; A110-C114 PolarHBondContact O-N 3.49Å; L111-C114 WeakPolarHBondContact O-CB 3.23Å; L111-C114 PolarHBondContact O-N 3.32Å; L111-C114 VanDerWaalsContact O-N 3.13Å; C114-W117 PolarHBondContact O-N 2.83Å; C114-D118 PolarHBondContact O-N 3.41Å; C114-C240 VanDerWaalsContact CA-SG 3.55Å; C114-C240 HydrophobicContact CB-CB 4Å; C114-C240 WeakPolarHBondContact CB-SG 3.01Å; C114-C240 WeakPolarHBondContact SG-CA 3.43Å; C114-C240 WeakPolarHBondContact SG-CB 3.18Å; C114-C240 CovalentContact SG-SG 2.04Å; C114-C240 PolarHBondContact SG-SG 3.28Å; C114-Y249 VanDerWaalsContact SG-CB 3.56Å |
| 115 | L | 97.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 178.2 | -67.9 | 175.4 | 0 | 0 | 0 | 112.5 | L111 D112 K113 W117 D118 K119 Y249 | L111-L115 HydrophobicContact CD1-CD1 4.22Å; L111-L115 HydrophobicContact CD1-CD2 4.49Å; L111-L115 HydrophobicContact CD1-CG 4.06Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 HydrophobicContact CG-CG 4.35Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.23Å; L111-L115 PolarHBondContact O-N 2.83Å; D112-L115 PolarHBondContact O-N 3.06Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 3.11Å; L115-W117 VanDerWaalsContact C-N 3.34Å; L115-D118 PolarHBondContact O-N 3.21Å; L115-K119 PolarHBondContact O-N 3.08Å; L115-Y249 HydrophobicContact CD2-CD1 4.39Å; L115-Y249 HydrophobicContact CD2-CD2 4.5Å; L115-Y249 HydrophobicContact CD2-CE1 3.77Å; L115-Y249 HydrophobicContact CD2-CE2 3.91Å |
| 116 | A | 95.2 | Very high | 93.7 | Very high | 61 Ų | 61 | 53.7 Ų | 53.7 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D112 K113 K119 L120 | D112-A116 WeakPolarHBondContact O-CB 3.4Å; D112-A116 PolarHBondContact O-N 2.86Å; K113-A116 PolarHBondContact O-N 2.65Å; A116-K119 PolarHBondContact O-N 2.96Å; A116-L120 PolarHBondContact O-N 2.85Å; A116-L120 VanDerWaalsContact O-N 3.07Å |
| 117 | W | 95.9 | Very high | 94.2 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 8% | 0.076 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 174.1 | 171.3 | 84.3 | 0 | 0 | 0 | 112.5 | K113 C114 L115 K119 L120 E121 Y232 Y249 Y250 H253 | K113-W117 WeakPolarHBondContact O-CB 3.47Å; K113-W117 PolarHBondContact O-N 2.93Å; C114-W117 PolarHBondContact O-N 2.83Å; L115-W117 VanDerWaalsContact C-N 3.34Å; W117-K119 VanDerWaalsContact C-N 3.26Å; W117-K119 PolarHBondContact O-N 2.98Å; W117-L120 PolarHBondContact O-N 2.87Å; W117-L120 VanDerWaalsContact O-N 3.13Å; W117-E121 HydrophobicContact CD2-CG 4.01Å; W117-E121 VanDerWaalsContact CE2-CG 3.47Å; W117-E121 HydrophobicContact CG-CG 4.46Å; W117-E121 HydrophobicContact CH2-CG 4.25Å; W117-E121 HydrophobicContact CZ2-CG 3.64Å; W117-E121 WeakPolarHBondContact O-CG 3.42Å; W117-E121 PolarHBondContact O-N 3.32Å; W117-Y232 PolarHBondContact NE1-O 2.88Å; W117-Y249 WeakPolarHBondContact CZ3-O 3.34Å; W117-Y250 AromaticContact CH2-CD2 3.8Å; W117-Y250 HydrophobicContact CH2-CD2 3.8Å; W117-Y250 HydrophobicContact CH2-CG 4.34Å; W117-Y250 HydrophobicContact CZ2-CD2 4.14Å; W117-Y250 HydrophobicContact CZ2-CE2 4.48Å; W117-Y250 HydrophobicContact CZ3-CD2 4.39Å; W117-H253 HydrophobicContact CH2-CB 3.87Å; W117-H253 AromaticContact CH2-CD2 3.76Å; W117-H253 HydrophobicContact CZ2-CB 4.33Å; W117-H253 AromaticContact CZ3-CD2 3.77Å |
| 118 | D | 97.7 | Very high | 94.4 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 175.5 | 173.5 | 62.3 | 0 | 0 | 0 | 111 | C114 L115 E121 N122 Y249 K252 H253 | C114-D118 PolarHBondContact O-N 3.41Å; L115-D118 PolarHBondContact O-N 3.21Å; D118-E121 PolarHBondContact O-N 2.88Å; D118-N122 VanDerWaalsContact O-CG 3.24Å; D118-N122 PolarHBondContact O-N 2.86Å; D118-N122 VanDerWaalsContact O-N 3.15Å; D118-N122 PolarHBondContact O-ND2 3.36Å; D118-Y249 HydrophobicContact CB-CD1 4.13Å; D118-K252 IonicContact OD1-NZ 2.65Å; D118-K252 PolarHBondContact OD1-NZ 3Å; D118-K252 IonicContact OD2-NZ 3.8Å; D118-H253 PolarHBondContact O-NE2 2.92Å; D118-H253 IonicContact OD1-CD2 2.65Å; D118-H253 PolarHBondContact OD1-CD2 3.29Å; D118-H253 IonicContact OD1-CE1 2.98Å; D118-H253 IonicContact OD1-NE2 2.87Å; D118-H253 PolarHBondContact OD1-NE2 2.93Å |
| 119 | K | 96.9 | Very high | 94.4 | Very high | 132 Ų | 132 | 56.2 Ų | 56.2 | 57% | 0.574 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61 | -48.8 | 175.5 | -173.1 | -175.1 | 172.9 | -167.4 | 0 | 111.7 | L115 A116 W117 E121 N122 E123 | L115-K119 PolarHBondContact O-N 3.08Å; A116-K119 PolarHBondContact O-N 2.96Å; W117-K119 VanDerWaalsContact C-N 3.26Å; W117-K119 PolarHBondContact O-N 2.98Å; K119-E121 PolarHBondContact O-N 3.21Å; K119-N122 WeakPolarHBondContact O-CB 3.32Å; K119-N122 PolarHBondContact O-N 2.83Å; K119-E123 WeakPolarHBondContact CE-OE1 3.4Å; K119-E123 PolarHBondContact O-N 2.55Å |
| 120 | L | 93.6 | Very high | 94.5 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 177.7 | 174.6 | 63.5 | 0 | 0 | 0 | 111.4 | A116 W117 N122 E123 L124 | A116-L120 PolarHBondContact O-N 2.85Å; A116-L120 VanDerWaalsContact O-N 3.07Å; W117-L120 PolarHBondContact O-N 2.87Å; W117-L120 VanDerWaalsContact O-N 3.13Å; L120-N122 PolarHBondContact O-N 2.86Å; L120-E123 WeakPolarHBondContact O-CA 3.2Å; L120-E123 WeakPolarHBondContact O-CB 3.25Å; L120-E123 PolarHBondContact O-N 3.43Å; L120-L124 HydrophobicContact CD1-CD1 4.44Å; L120-L124 HydrophobicContact CD1-CD2 4.37Å; L120-L124 HydrophobicContact CD1-CG 4.2Å; L120-L124 HydrophobicContact CG-CD1 4.04Å; L120-L124 HydrophobicContact CG-CG 4.24Å; L120-L124 WeakPolarHBondContact O-CG 3.32Å; L120-L124 PolarHBondContact O-N 3.19Å |
| 121 | E | 95.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -33.4 | 179.3 | -75.5 | -78.7 | 147.7 | 0 | 0 | 112.8 | W117 D118 K119 E123 L124 R209 H253 R254 | W117-E121 HydrophobicContact CD2-CG 4.01Å; W117-E121 VanDerWaalsContact CE2-CG 3.47Å; W117-E121 HydrophobicContact CG-CG 4.46Å; W117-E121 HydrophobicContact CH2-CG 4.25Å; W117-E121 HydrophobicContact CZ2-CG 3.64Å; W117-E121 WeakPolarHBondContact O-CG 3.42Å; W117-E121 PolarHBondContact O-N 3.32Å; D118-E121 PolarHBondContact O-N 2.88Å; K119-E121 PolarHBondContact O-N 3.21Å; E121-E123 PolarHBondContact O-N 3.39Å; E121-L124 PolarHBondContact O-N 3.43Å; E121-R209 VanDerWaalsContact CD-NH2 3.33Å; E121-R209 IonicContact OE1-CZ 3.62Å; E121-R209 IonicContact OE1-NE 3.14Å; E121-R209 PolarHBondContact OE1-NE 3.4Å; E121-R209 IonicContact OE1-NH2 3.39Å; E121-R209 IonicContact OE2-CZ 2.64Å; E121-R209 IonicContact OE2-NE 2.76Å; E121-R209 PolarHBondContact OE2-NE 3.19Å; E121-R209 IonicContact OE2-NH2 2.76Å; E121-R209 PolarHBondContact OE2-NH2 2.96Å; E121-H253 HydrophobicContact CB-CB 4.39Å; E121-H253 VanDerWaalsContact CB-CE1 3.48Å; E121-H253 WeakPolarHBondContact CB-CE1 3.42Å; E121-H253 WeakPolarHBondContact CB-NE2 3.39Å; E121-H253 HydrophobicContact CG-CB 4.37Å; E121-R254 IonicContact OE1-CZ 3.94Å; E121-R254 IonicContact OE1-NH1 3.12Å; E121-R254 IonicContact OE1-NH2 3.8Å; E121-R254 PolarHBondContact OE1-NH2 2.64Å; E121-R254 IonicContact OE2-CZ 3.26Å; E121-R254 IonicContact OE2-NH1 3.86Å; E121-R254 PolarHBondContact OE2-NH1 3.4Å; E121-R254 IonicContact OE2-NH2 3.18Å |
| 122 | N | 95.4 | Very high | 94.6 | Very high | 93 Ų | 93 | 59.2 Ų | 59.2 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.4 | -22.8 | 173.2 | -62.6 | -54.5 | 0 | 0 | 0 | 113 | D118 K119 L120 K252 H253 | D118-N122 VanDerWaalsContact O-CG 3.24Å; D118-N122 PolarHBondContact O-N 2.86Å; D118-N122 VanDerWaalsContact O-N 3.15Å; D118-N122 PolarHBondContact O-ND2 3.36Å; K119-N122 WeakPolarHBondContact O-CB 3.32Å; K119-N122 PolarHBondContact O-N 2.83Å; L120-N122 PolarHBondContact O-N 2.86Å; N122-K252 PolarHBondContact OD1-NZ 3.36Å; N122-H253 PolarHBondContact OD1-CE1 2.86Å |
| 123 | E | 94.4 | Very high | 94.7 | Very high | 136 Ų | 136 | 56.3 Ų | 56.3 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -90 | -22.1 | 177.8 | -64.2 | 173.2 | -172.4 | 0 | 0 | 112 | K119 L120 E121 | K119-E123 WeakPolarHBondContact CE-OE1 3.4Å; K119-E123 PolarHBondContact O-N 2.55Å; L120-E123 WeakPolarHBondContact O-CA 3.2Å; L120-E123 WeakPolarHBondContact O-CB 3.25Å; L120-E123 PolarHBondContact O-N 3.43Å; E121-E123 PolarHBondContact O-N 3.39Å |
| 124 | L | 93.9 | Very high | 94.9 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -78.9 | 154.4 | -178.8 | -69.5 | 178.3 | 0 | 0 | 0 | 113 | P26 L120 E121 | P26-L124 HydrophobicContact CB-CD2 3.29Å; P26-L124 HydrophobicContact CG-CD2 3.61Å; L120-L124 HydrophobicContact CD1-CD1 4.44Å; L120-L124 HydrophobicContact CD1-CD2 4.37Å; L120-L124 HydrophobicContact CD1-CG 4.2Å; L120-L124 HydrophobicContact CG-CD1 4.04Å; L120-L124 HydrophobicContact CG-CG 4.24Å; L120-L124 WeakPolarHBondContact O-CG 3.32Å; L120-L124 PolarHBondContact O-N 3.19Å; E121-L124 PolarHBondContact O-N 3.43Å |
| 125 | P | 93.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | trans | -57.8 | 142.8 | 172.1 | -24.5 | 34.3 | 0 | 0 | 0 | 112.8 | Y27 F127 Y181 R209 | Y27-P125 HydrophobicContact CD2-CG 3.85Å; Y27-P125 HydrophobicContact CE2-CG 4.06Å; P125-F127 PolarHBondContact O-N 3.02Å; P125-F127 VanDerWaalsContact O-N 3.16Å; P125-Y181 HydrophobicContact CB-CD1 4.24Å; P125-Y181 HydrophobicContact CB-CE1 3.44Å; P125-Y181 VanDerWaalsContact CB-CE1 3.44Å; P125-Y181 HydrophobicContact CG-CE1 4.26Å; P125-R209 PolarHBondContact O-NH1 3.48Å | ||
| 126 | N | 94.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | trans | -72.7 | 104.1 | 173.8 | -177.7 | 6.1 | 0 | 0 | 0 | 110.6 | L128 | N126-L128 VanDerWaalsContact OD1-CB 3.26Å; N126-L128 WeakPolarHBondContact OD1-CB 3.43Å; N126-L128 WeakPolarHBondContact OD1-CG 3.38Å; N126-L128 PolarHBondContact OD1-N 3.5Å | ||
| 127 | F | 95.2 | Very high | 95 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -83 | -14.7 | 179.9 | 70.6 | -91 | 0 | 0 | 0 | 113.7 | P125 T129 E130 I131 Y181 A183 P207 D208 R209 | P125-F127 PolarHBondContact O-N 3.02Å; P125-F127 VanDerWaalsContact O-N 3.16Å; F127-T129 PolarHBondContact O-N 2.94Å; F127-E130 PolarHBondContact O-N 2.96Å; F127-I131 HydrophobicContact CD2-CD1 4.05Å; F127-I131 HydrophobicContact CD2-CG1 4.04Å; F127-I131 HydrophobicContact CE2-CD1 4.25Å; F127-I131 HydrophobicContact CE2-CG1 4.3Å; F127-Y181 HydrophobicContact CB-CD1 4.38Å; F127-Y181 HydrophobicContact CB-CD2 3.92Å; F127-Y181 HydrophobicContact CB-CG 3.72Å; F127-A183 HydrophobicContact CB-CB 4.06Å; F127-A183 HydrophobicContact CD2-CB 3.32Å; F127-A183 HydrophobicContact CE2-CB 4Å; F127-A183 HydrophobicContact CG-CB 4Å; F127-P207 HydrophobicContact CE2-CB 3.97Å; F127-P207 HydrophobicContact CZ-CB 4.49Å; F127-D208 WeakPolarHBondContact CE2-O 3.12Å; F127-R209 HydrophobicContact CD1-CB 4.16Å; F127-R209 HydrophobicContact CD1-CG 4.32Å; F127-R209 HydrophobicContact CE1-CB 3.77Å; F127-R209 HydrophobicContact CE1-CG 4.39Å; F127-R209 HydrophobicContact CZ-CB 4.01Å |
| 128 | L | 94.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 49 Ų | 49 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -62.8 | -15 | -176.1 | -57.6 | 175 | 0 | 0 | 0 | 113 | N126 E130 P207 P255 | N126-L128 VanDerWaalsContact OD1-CB 3.26Å; N126-L128 WeakPolarHBondContact OD1-CB 3.43Å; N126-L128 WeakPolarHBondContact OD1-CG 3.38Å; N126-L128 PolarHBondContact OD1-N 3.5Å; L128-E130 VanDerWaalsContact C-N 3.26Å; L128-E130 PolarHBondContact O-N 3.31Å; L128-P207 HydrophobicContact CD2-CB 3.76Å; L128-P207 HydrophobicContact CD2-CG 3.45Å; L128-P207 VanDerWaalsContact CD2-CG 3.45Å; L128-P255 HydrophobicContact CD1-CG 3.75Å |
| 129 | T | 91.3 | Very high | 95.1 | Very high | 104 Ų | 104 | 49.7 Ų | 49.7 | 64% | 0.638 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -70.7 | -17.4 | -179.7 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | F127 | F127-T129 PolarHBondContact O-N 2.94Š|
| 130 | E | 91.3 | Very high | 95.2 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -113.4 | -0.2 | -178.2 | -65.3 | -173.5 | 141.7 | 0 | 0 | 113.6 | F127 L128 T178 K180 Y181 | F127-E130 PolarHBondContact O-N 2.96Å; L128-E130 VanDerWaalsContact C-N 3.26Å; L128-E130 PolarHBondContact O-N 3.31Å; E130-T178 HydrophobicContact CB-CG2 3.66Å; E130-T178 WeakPolarHBondContact O-CG2 3.49Å; E130-T178 WeakPolarHBondContact OE2-CB 3.36Å; E130-T178 PolarHBondContact OE2-OG1 2.84Å; E130-K180 WeakPolarHBondContact OE1-CB 3.19Å; E130-K180 WeakPolarHBondContact OE2-CB 3.49Å; E130-K180 PolarHBondContact OE2-N 2.76Å; E130-Y181 HydrophobicContact CG-CD2 4.3Å; E130-Y181 HydrophobicContact CG-CE2 4.48Å; E130-Y181 VanDerWaalsContact OE2-CD2 3.25Å; E130-Y181 WeakPolarHBondContact OE2-CD2 3.48Å; E130-Y181 PolarHBondContact OE2-N 2.86Å |
| 131 | I | 93.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 14% | 0.138 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 135 | -176.2 | -71.4 | -58 | 0 | 0 | 0 | 110.8 | F127 T178 A183 G184 Q185 P207 | F127-I131 HydrophobicContact CD2-CD1 4.05Å; F127-I131 HydrophobicContact CD2-CG1 4.04Å; F127-I131 HydrophobicContact CE2-CD1 4.25Å; F127-I131 HydrophobicContact CE2-CG1 4.3Å; I131-T178 HydrophobicContact CD1-CG2 3.95Å; I131-A183 HydrophobicContact CD1-CB 3.6Å; I131-G184 WeakPolarHBondContact CD1-O 3.45Å; I131-Q185 HydrophobicContact CG2-CB 4.05Å; I131-Q185 HydrophobicContact CG2-CG 4.16Å; I131-P207 HydrophobicContact CD1-CB 4.4Å; I131-P207 HydrophobicContact CG1-CB 4.2Å; I131-P207 HydrophobicContact CG2-CB 4.33Å |
| 132 | I | 93.9 | Very high | 95.5 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -68.8 | 143.2 | 173.5 | -170 | 172.3 | 0 | 0 | 0 | 111 | R147 F148 A174 Q185 | I132-R147 HydrophobicContact CD1-CB 3.98Å; I132-R147 HydrophobicContact CD1-CG 4.29Å; I132-F148 HydrophobicContact CD1-CE2 4.06Å; I132-F148 HydrophobicContact CD1-CZ 3.78Å; I132-F148 HydrophobicContact CG1-CZ 4.09Å; I132-F148 HydrophobicContact CG2-CE1 4.1Å; I132-F148 HydrophobicContact CG2-CZ 4.05Å; I132-A174 HydrophobicContact CG2-CB 3.68Å; I132-Q185 HydrophobicContact CG2-CB 3.86Å; I132-Q185 HydrophobicContact CG2-CG 4.32Å |
| 133 | N | 94.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 42 Ų | 42 | 25% | 0.251 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 138.8 | 176.2 | -57.3 | -70.7 | 0 | 0 | 0 | 111 | F148 S257 R261 | N133-F148 WeakPolarHBondContact O-CZ 3.29Å; N133-S257 PolarHBondContact OD1-OG 2.96Å; N133-R261 WeakPolarHBondContact ND2-CB 3.31Å; N133-R261 PolarHBondContact ND2-O 2.88Å |
| 134 | C | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 142.4 | 172.8 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | Q185 C187 Q195 C259 Y262 | C134-Q185 PolarHBondContact SG-NE2 2.82Å; C134-C187 WeakPolarHBondContact CA-SG 3.28Å; C134-C187 HydrophobicContact CB-CB 3.73Å; C134-C187 WeakPolarHBondContact CB-SG 3.38Å; C134-C187 WeakPolarHBondContact SG-CB 3.42Å; C134-C187 CovalentContact SG-SG 2.03Å; C134-C187 PolarHBondContact SG-SG 2.9Å; C134-Q195 PolarHBondContact SG-NE2 3.5Å; C134-Q195 VanDerWaalsContact SG-NE2 3.44Å; C134-C259 VanDerWaalsContact O-CB 3.25Å; C134-C259 WeakPolarHBondContact O-CB 3.48Å; C134-Y262 VanDerWaalsContact O-CB 3.28Å; C134-Y262 WeakPolarHBondContact O-CB 3.37Å |
| 135 | P | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 147.6 | 166.3 | -22.9 | 30.9 | 0 | 0 | 0 | 112 | Q140 A141 F148 Y189 Y262 | P135-Q140 HydrophobicContact CB-CB 3.8Å; P135-A141 HydrophobicContact CB-CB 4.01Å; P135-A141 HydrophobicContact CG-CB 4.01Å; P135-F148 HydrophobicContact CG-CD2 3.88Å; P135-F148 HydrophobicContact CG-CE2 3.69Å; P135-F148 HydrophobicContact CG-CG 4.44Å; P135-F148 HydrophobicContact CG-CZ 4.1Å; P135-Y189 WeakPolarHBondContact CB-OH 3.36Å; P135-Y189 WeakPolarHBondContact CD-OH 3.16Å; P135-Y189 WeakPolarHBondContact O-CE1 3.33Å; P135-Y189 PolarHBondContact O-OH 2.89Å; P135-Y262 HydrophobicContact CB-CD1 4.36Å; P135-Y262 HydrophobicContact CB-CD2 4.39Å; P135-Y262 HydrophobicContact CB-CE1 3.96Å; P135-Y262 HydrophobicContact CB-CE2 4Å; P135-Y262 HydrophobicContact CG-CD2 4.21Å; P135-Y262 HydrophobicContact CG-CE1 4.49Å; P135-Y262 HydrophobicContact CG-CE2 3.65Å |
| 136 | C | 96.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76.9 | -25.3 | -177.3 | -77.8 | 0 | 0 | 0 | 0 | 113.1 | C259 V543 L563 | C136-C259 WeakPolarHBondContact CA-SG 3.35Å; C136-C259 HydrophobicContact CB-CB 3.77Å; C136-C259 WeakPolarHBondContact CB-SG 3.47Å; C136-C259 WeakPolarHBondContact SG-CB 3.29Å; C136-C259 PolarHBondContact SG-O 3.11Å; C136-C259 VanDerWaalsContact SG-O 3.34Å; C136-C259 CovalentContact SG-SG 2.04Å; C136-C259 PolarHBondContact SG-SG 2.93Å; C136-V543 HydrophobicContact CB-CG2 3.25Å; C136-L563 HydrophobicContact CB-CD2 4.07Å |
| 137 | T | 97.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 16% | 0.16 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -131.6 | 155.6 | -177.8 | 72 | 0 | 0 | 0 | 0 | 111.6 | A139 Q140 A141 Y189 G193 V543 L563 | T137-A139 PolarHBondContact O-N 3.36Å; T137-Q140 PolarHBondContact O-N 2.94Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.44Å; T137-Q140 PolarHBondContact OG1-N 3.39Å; T137-Q140 VanDerWaalsContact OG1-N 3.13Å; T137-A141 PolarHBondContact O-N 3.45Å; T137-Y189 VanDerWaalsContact C-CE1 3.47Å; T137-G193 CarbonylContact C-O 3.57Å; T137-G193 VanDerWaalsContact CA-O 3.3Å; T137-G193 WeakPolarHBondContact CA-O 3.49Å; T137-V543 HydrophobicContact CG2-CG1 4.4Å; T137-V543 HydrophobicContact CG2-CG2 4.36Å; T137-L563 HydrophobicContact CG2-CD1 3.93Å |
| 138 | L | 97.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 12% | 0.12 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -34.3 | 172.7 | 177.9 | 55.8 | 0 | 0 | 0 | 112.4 | A141 R142 V169 H170 Y189 G193 | L138-A141 PolarHBondContact O-N 3.22Å; L138-R142 HydrophobicContact CD1-CG 4.07Å; L138-R142 WeakPolarHBondContact O-CG 3.44Å; L138-R142 PolarHBondContact O-N 3.38Å; L138-V169 HydrophobicContact CD2-CG2 4.32Å; L138-H170 HydrophobicContact CD1-CB 3.68Å; L138-H170 VanDerWaalsContact CD1-CD2 3.44Å; L138-H170 WeakPolarHBondContact CD1-CD2 3.43Å; L138-H170 HydrophobicContact CD2-CB 4.35Å; L138-Y189 HydrophobicContact CB-CD1 4.17Å; L138-Y189 HydrophobicContact CB-CD2 4.42Å; L138-Y189 HydrophobicContact CB-CG 3.88Å; L138-Y189 HydrophobicContact CD1-CD2 3.9Å; L138-Y189 HydrophobicContact CD1-CG 4.13Å; L138-G193 PolarHBondContact N-O 2.67Å |
| 139 | A | 98.2 | Very high | 96.4 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 31% | 0.306 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.2 | -51.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | T137 A141 R142 A143 D539 | T137-A139 PolarHBondContact O-N 3.36Å; A139-A141 VanDerWaalsContact C-N 3.28Å; A139-A141 PolarHBondContact O-N 3Å; A139-R142 PolarHBondContact O-N 3.44Å; A139-A143 VanDerWaalsContact O-CB 3.32Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 3.41Å; A139-D539 HydrophobicContact CB-CB 4.14Å |
| 140 | Q | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 175 | -71 | 174.1 | -24.1 | 0 | 0 | 111.6 | P135 T137 R142 A143 D144 Y262 D539 K541 | P135-Q140 HydrophobicContact CB-CB 3.8Å; T137-Q140 PolarHBondContact O-N 2.94Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.44Å; T137-Q140 PolarHBondContact OG1-N 3.39Å; T137-Q140 VanDerWaalsContact OG1-N 3.13Å; Q140-R142 VanDerWaalsContact C-N 3.33Å; Q140-R142 PolarHBondContact O-N 3.49Å; Q140-A143 PolarHBondContact O-N 2.93Å; Q140-D144 VanDerWaalsContact O-CB 3.32Å; Q140-D144 WeakPolarHBondContact O-CB 3.49Å; Q140-D144 PolarHBondContact O-N 3.44Å; Q140-Y262 HydrophobicContact CB-CE1 4.23Å; Q140-Y262 HydrophobicContact CG-CE1 4.46Å; Q140-D539 WeakPolarHBondContact CG-O 3.45Å; Q140-K541 PolarHBondContact NE2-O 2.87Å |
| 141 | A | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.2 | -35.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P135 T137 L138 A139 V172 Y189 | P135-A141 HydrophobicContact CB-CB 4.01Å; P135-A141 HydrophobicContact CG-CB 4.01Å; T137-A141 PolarHBondContact O-N 3.45Å; L138-A141 PolarHBondContact O-N 3.22Å; A139-A141 VanDerWaalsContact C-N 3.28Å; A139-A141 PolarHBondContact O-N 3Å; A141-V172 HydrophobicContact CB-CG1 4.17Å; A141-V172 HydrophobicContact CB-CG2 3.98Å; A141-Y189 HydrophobicContact CB-CD2 4.29Å; A141-Y189 HydrophobicContact CB-CE1 4.43Å; A141-Y189 HydrophobicContact CB-CE2 3.43Å; A141-Y189 VanDerWaalsContact CB-CE2 3.43Å; A141-Y189 WeakPolarHBondContact CB-OH 3.42Å |
| 142 | R | 97.2 | Very high | 96.3 | Very high | 123 Ų | 123 | 29 Ų | 29 | 46% | 0.464 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -82 | -24 | 176.8 | -67.9 | 177.2 | 72.5 | -150.3 | 4.7 | 112.7 | L138 A139 Q140 T145 E157 | L138-R142 HydrophobicContact CD1-CG 4.07Å; L138-R142 WeakPolarHBondContact O-CG 3.44Å; L138-R142 PolarHBondContact O-N 3.38Å; A139-R142 PolarHBondContact O-N 3.44Å; Q140-R142 VanDerWaalsContact C-N 3.33Å; Q140-R142 PolarHBondContact O-N 3.49Å; R142-T145 VanDerWaalsContact O-CG2 3.29Å; R142-T145 WeakPolarHBondContact O-CG2 3.47Å; R142-E157 IonicContact CZ-OE1 3.3Å; R142-E157 IonicContact NH2-OE1 2.54Å; R142-E157 PolarHBondContact NH2-OE1 3Å |
| 143 | A | 98.3 | Very high | 96 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -83.6 | -29.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A139 Q140 T145 L402 L536 D539 L540 | A139-A143 VanDerWaalsContact O-CB 3.32Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 3.41Å; Q140-A143 PolarHBondContact O-N 2.93Å; A143-T145 PolarHBondContact O-N 2.5Å; A143-L402 WeakPolarHBondContact O-CD1 3.35Å; A143-L536 HydrophobicContact CB-CD1 3.68Å; A143-D539 HydrophobicContact CB-CB 3.85Å; A143-L540 HydrophobicContact CB-CD2 3.55Å; A143-L540 HydrophobicContact CB-CG 3.78Å |
| 144 | D | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -83.2 | 58.9 | -179.7 | -167.7 | -6.4 | 0 | 0 | 0 | 112.4 | Q140 G146 R147 F148 Y262 P265 | Q140-D144 VanDerWaalsContact O-CB 3.32Å; Q140-D144 WeakPolarHBondContact O-CB 3.49Å; Q140-D144 PolarHBondContact O-N 3.44Å; D144-G146 PolarHBondContact O-N 3.01Å; D144-R147 PolarHBondContact O-N 3.41Å; D144-R147 IonicContact OD1-CZ 3.74Å; D144-R147 IonicContact OD1-NE 2.73Å; D144-R147 PolarHBondContact OD1-NE 3.42Å; D144-R147 IonicContact OD1-NH2 3.41Å; D144-R147 IonicContact OD2-CZ 2.63Å; D144-R147 VanDerWaalsContact OD2-CZ 3.26Å; D144-R147 IonicContact OD2-NE 3.2Å; D144-R147 PolarHBondContact OD2-NE 3.17Å; D144-R147 VanDerWaalsContact OD2-NE 3.08Å; D144-R147 IonicContact OD2-NH2 2.64Å; D144-R147 PolarHBondContact OD2-NH2 3.42Å; D144-F148 HydrophobicContact CB-CD2 4.06Å; D144-F148 PolarHBondContact O-N 2.64Å; D144-Y262 WeakPolarHBondContact OD2-CE2 3.44Å; D144-Y262 PolarHBondContact OD2-OH 3.34Å; D144-P265 HydrophobicContact CB-CG 4.3Å | ||
| 145 | T | 97 | Very high | 95.7 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 17% | 0.172 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.5 | -174.2 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | R142 A143 M381 E389 L402 | R142-T145 VanDerWaalsContact O-CG2 3.29Å; R142-T145 WeakPolarHBondContact O-CG2 3.47Å; A143-T145 PolarHBondContact O-N 2.5Å; T145-M381 WeakPolarHBondContact O-CG 3.44Å; T145-M381 VanDerWaalsContact O-SD 3.38Å; T145-E389 WeakPolarHBondContact CB-OE1 3.37Å; T145-E389 VanDerWaalsContact CG2-OE1 3.3Å; T145-E389 WeakPolarHBondContact CG2-OE1 3.44Å; T145-E389 PolarHBondContact OG1-OE1 3.12Å; T145-L402 WeakPolarHBondContact OG1-CD1 3.4Å |
| 146 | G | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -27.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D144 G385 | D144-G146 PolarHBondContact O-N 3.01Å; G146-G385 CarbonylContact C-O 3.56Å |
| 147 | R | 97.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -25 | -174.6 | -63.7 | -176.7 | -62.3 | -176.9 | 0.5 | 113.7 | I132 D144 A174 I175 Q263 P404 | I132-R147 HydrophobicContact CD1-CB 3.98Å; I132-R147 HydrophobicContact CD1-CG 4.29Å; D144-R147 PolarHBondContact O-N 3.41Å; D144-R147 IonicContact OD1-CZ 3.74Å; D144-R147 IonicContact OD1-NE 2.73Å; D144-R147 PolarHBondContact OD1-NE 3.42Å; D144-R147 IonicContact OD1-NH2 3.41Å; D144-R147 IonicContact OD2-CZ 2.63Å; D144-R147 VanDerWaalsContact OD2-CZ 3.26Å; D144-R147 IonicContact OD2-NE 3.2Å; D144-R147 PolarHBondContact OD2-NE 3.17Å; D144-R147 VanDerWaalsContact OD2-NE 3.08Å; D144-R147 IonicContact OD2-NH2 2.64Å; D144-R147 PolarHBondContact OD2-NH2 3.42Å; R147-A174 WeakPolarHBondContact O-CA 3.21Å; R147-I175 PolarHBondContact O-N 3.43Å; R147-Q263 PolarHBondContact NH1-O 3.04Å; R147-Q263 PolarHBondContact NH2-O 3.01Å; R147-P404 HydrophobicContact CG-CG 4.48Å |
| 148 | F | 97.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 146 | -177.9 | -61.4 | -82.5 | 0 | 0 | 0 | 112.4 | I132 N133 P135 D144 V172 R173 A174 Y262 | I132-F148 HydrophobicContact CD1-CE2 4.06Å; I132-F148 HydrophobicContact CD1-CZ 3.78Å; I132-F148 HydrophobicContact CG1-CZ 4.09Å; I132-F148 HydrophobicContact CG2-CE1 4.1Å; I132-F148 HydrophobicContact CG2-CZ 4.05Å; N133-F148 WeakPolarHBondContact O-CZ 3.29Å; P135-F148 HydrophobicContact CG-CD2 3.88Å; P135-F148 HydrophobicContact CG-CE2 3.69Å; P135-F148 HydrophobicContact CG-CG 4.44Å; P135-F148 HydrophobicContact CG-CZ 4.1Å; D144-F148 HydrophobicContact CB-CD2 4.06Å; D144-F148 PolarHBondContact O-N 2.64Å; F148-V172 HydrophobicContact CB-CB 4.04Å; F148-V172 HydrophobicContact CB-CG2 3.85Å; F148-V172 HydrophobicContact CD1-CG2 3.76Å; F148-V172 HydrophobicContact CG-CG2 4Å; F148-R173 CarbonylContact C-O 3.49Å; F148-R173 VanDerWaalsContact CA-O 3.28Å; F148-R173 WeakPolarHBondContact CA-O 3.45Å; F148-A174 HydrophobicContact CE1-CB 4.44Å; F148-Y262 HydrophobicContact CE2-CE2 4.12Å |
| 149 | H | 95.4 | Very high | 93.7 | Very high | 27 Ų | 27 | 45 Ų | 45 | 13% | 0.125 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147.5 | 175.2 | -177.5 | -78.5 | 0 | 0 | 0 | 109.8 | D151 V172 R173 I175 W213 F371 | H149-D151 PolarHBondContact O-N 3.29Å; H149-V172 CarbonylContact O-C 3.24Å; H149-V172 VanDerWaalsContact O-CA 3.23Å; H149-V172 WeakPolarHBondContact O-CA 3.26Å; H149-V172 WeakPolarHBondContact O-CB 3.37Å; H149-R173 PolarHBondContact N-O 2.97Å; H149-R173 PolarHBondContact O-N 2.63Å; H149-I175 HydrophobicContact CB-CD1 4.34Å; H149-I175 HydrophobicContact CB-CG1 3.71Å; H149-W213 HydrophobicContact CB-CH2 3.75Å; H149-W213 HydrophobicContact CB-CZ3 4.41Å; H149-W213 AromaticContact CG-CH2 3.72Å; H149-W213 AromaticContact ND1-CH2 3.68Å; H149-F371 AromaticContact NE2-CD1 3.93Å; H149-F371 AromaticContact NE2-CD2 3.53Å; H149-F371 AromaticContact NE2-CE1 3.97Å; H149-F371 AromaticContact NE2-CE2 3.58Å; H149-F371 AromaticContact NE2-CG 3.71Å; H149-F371 AromaticContact NE2-CZ 3.79Å |
| 150 | T | 94.3 | Very high | 92.4 | Very high | 43 Ų | 43 | 45 Ų | 45 | 26% | 0.264 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 133.2 | 177.8 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | D155 H170 | T150-D155 HydrophobicContact CG2-CB 3.78Å; T150-H170 VanDerWaalsContact CG2-CE1 3.44Å; T150-H170 WeakPolarHBondContact CG2-CE1 3.41Å |
| 151 | D | 93.2 | Very high | 91.5 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | trans | -75.1 | 124.8 | 170.8 | -172.7 | -63.3 | 0 | 0 | 0 | 109.9 | H149 G153 C154 C171 R173 Q186 | H149-D151 PolarHBondContact O-N 3.29Å; D151-G153 PolarHBondContact O-N 2.98Å; D151-G153 VanDerWaalsContact OD1-CA 3.27Å; D151-G153 WeakPolarHBondContact OD1-CA 2.97Å; D151-G153 PolarHBondContact OD1-N 3.12Å; D151-C154 CarbonylContact O-C 3.57Å; D151-C154 PolarHBondContact O-N 2.03Å; D151-C154 PolarHBondContact OD1-N 3.44Å; D151-C171 HydrophobicContact CB-CB 3.75Å; D151-C171 VanDerWaalsContact CB-O 3.3Å; D151-C171 WeakPolarHBondContact CB-O 3.37Å; D151-C171 PolarHBondContact N-O 3.44Å; D151-R173 HydrophobicContact CB-CG 4.32Å; D151-R173 WeakPolarHBondContact OD2-CD 3.49Å; D151-R173 IonicContact OD2-CZ 3.22Å; D151-R173 IonicContact OD2-NE 2.83Å; D151-R173 PolarHBondContact OD2-NE 3.02Å; D151-R173 IonicContact OD2-NH2 3.81Å; D151-Q186 PolarHBondContact OD2-NE2 3.08Å | ||
| 152 | Y | 87.4 | Confident | 91 | Very high | 149 Ų | 149 | 50.8 Ų | 50.8 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.1 | -177.1 | 56 | -97.8 | 0 | 0 | 0 | 113.7 | D212 | Y152-D212 VanDerWaalsContact CE1-OD2 3.26Å; Y152-D212 WeakPolarHBondContact CE1-OD2 3.36Å; Y152-D212 PolarHBondContact OH-OD1 2.83Å; Y152-D212 PolarHBondContact OH-OD2 2.93Å |
| 153 | G | 87.1 | Confident | 90.4 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | D151 | D151-G153 PolarHBondContact O-N 2.98Å; D151-G153 VanDerWaalsContact OD1-CA 3.27Å; D151-G153 WeakPolarHBondContact OD1-CA 2.97Å; D151-G153 PolarHBondContact OD1-N 3.12Å |
| 154 | C | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -150.5 | 77 | 178.4 | -176 | 0 | 0 | 0 | 0 | 111.3 | D151 C162 H170 C171 | D151-C154 CarbonylContact O-C 3.57Å; D151-C154 PolarHBondContact O-N 2.03Å; D151-C154 PolarHBondContact OD1-N 3.44Å; C154-C162 VanDerWaalsContact CA-SG 3.55Å; C154-C162 HydrophobicContact CB-CB 3.76Å; C154-C162 WeakPolarHBondContact CB-SG 3.41Å; C154-C162 WeakPolarHBondContact SG-CB 3.3Å; C154-C162 CovalentContact SG-SG 2.03Å; C154-C162 PolarHBondContact SG-SG 2.83Å; C154-H170 WeakPolarHBondContact O-CA 3.45Å; C154-H170 PolarHBondContact O-ND1 2.86Å; C154-H170 VanDerWaalsContact SG-C 3.51Å; C154-H170 VanDerWaalsContact SG-CA 3.55Å; C154-C171 HydrophobicContact CB-CB 3.93Å; C154-C171 PolarHBondContact O-N 2.86Å; C154-C171 PolarHBondContact SG-N 3.28Å; C154-C171 PolarHBondContact SG-SG 2.69Å |
| 155 | D | 93.1 | Very high | 89.3 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | trans | -117.2 | 122.8 | -176.6 | -175.9 | -2.6 | 0 | 0 | 0 | 111.5 | T150 E157 K158 G159 S160 H170 | T150-D155 HydrophobicContact CG2-CB 3.78Å; D155-E157 VanDerWaalsContact C-N 3.33Å; D155-E157 PolarHBondContact O-N 3.38Å; D155-E157 PolarHBondContact OD1-N 2.75Å; D155-K158 HydrophobicContact CB-CB 4.28Å; D155-K158 HydrophobicContact CB-CD 4.48Å; D155-K158 PolarHBondContact O-N 3.42Å; D155-K158 WeakPolarHBondContact OD2-CD 3.4Å; D155-K158 WeakPolarHBondContact OD2-CE 3.47Å; D155-K158 WeakPolarHBondContact OD2-CG 3.4Å; D155-K158 IonicContact OD2-NZ 4Å; D155-G159 PolarHBondContact O-N 3.24Å; D155-S160 WeakPolarHBondContact O-CA 3.35Å; D155-S160 PolarHBondContact O-N 2.92Å; D155-H170 IonicContact OD1-CE1 2.75Å | ||
| 156 | I | 93.1 | Very high | 89 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -72.3 | -29.6 | -178 | -164.7 | 171.3 | 0 | 0 | 0 | 112.1 | K158 G159 S160 V169 H170 | I156-K158 PolarHBondContact O-N 2.96Å; I156-G159 PolarHBondContact O-N 3.35Å; I156-S160 VanDerWaalsContact CA-OG 3.28Å; I156-S160 WeakPolarHBondContact CA-OG 3.28Å; I156-V169 HydrophobicContact CD1-CB 4.35Å; I156-V169 HydrophobicContact CD1-CG2 4.13Å; I156-H170 HydrophobicContact CB-CB 4.39Å; I156-H170 PolarHBondContact N-ND1 2.98Å |
| 157 | E | 89 | Confident | 88.7 | Confident | 140 Ų | 140 | 58.5 Ų | 58.5 | 65% | 0.654 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -73.7 | -18 | -179.5 | -58.4 | -173 | 173.6 | 0 | 0 | 111.9 | R142 D155 | R142-E157 IonicContact CZ-OE1 3.3Å; R142-E157 IonicContact NH2-OE1 2.54Å; R142-E157 PolarHBondContact NH2-OE1 3Å; D155-E157 VanDerWaalsContact C-N 3.33Å; D155-E157 PolarHBondContact O-N 3.38Å; D155-E157 PolarHBondContact OD1-N 2.75Å |
| 158 | K | 86.3 | Confident | 88.6 | Confident | 169 Ų | 169 | 57.8 Ų | 57.8 | 74% | 0.735 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -108.9 | 7.6 | 178.8 | -63.6 | -180 | -174 | 169.5 | 0 | 114.3 | D155 I156 | D155-K158 HydrophobicContact CB-CB 4.28Å; D155-K158 HydrophobicContact CB-CD 4.48Å; D155-K158 PolarHBondContact O-N 3.42Å; D155-K158 WeakPolarHBondContact OD2-CD 3.4Å; D155-K158 WeakPolarHBondContact OD2-CE 3.47Å; D155-K158 WeakPolarHBondContact OD2-CG 3.4Å; D155-K158 IonicContact OD2-NZ 4Å; I156-K158 PolarHBondContact O-N 2.96Å |
| 159 | G | 79.8 | Confident | 88.5 | Confident | 56 Ų | 56 | 59 Ų | 59 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.6 | 10.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | D155 I156 | D155-G159 PolarHBondContact O-N 3.24Å; I156-G159 PolarHBondContact O-N 3.35Å |
| 160 | S | 69.3 | Low | 88.5 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | 48.6 | 76.2 | 170.2 | -48.6 | 0 | 0 | 0 | 0 | 115.9 | D155 I156 V169 | D155-S160 WeakPolarHBondContact O-CA 3.35Å; D155-S160 PolarHBondContact O-N 2.92Å; I156-S160 VanDerWaalsContact CA-OG 3.28Å; I156-S160 WeakPolarHBondContact CA-OG 3.28Å; S160-V169 PolarHBondContact OG-O 2.9Å | ||
| 161 | V | 79.9 | Confident | 88.7 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 67% | 0.673 | 32% | 0.319 | S | S | * | . | trans | -104.6 | 69.6 | 166.5 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | T163 | V161-T163 PolarHBondContact O-N 3.3Å; V161-T163 PolarHBondContact O-OG1 3.16Å | ||
| 162 | C | 88.5 | Confident | 88.8 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 10% | 0.095 | 32% | 0.318 | C | S | . | . | trans | -75.1 | 61.7 | -177.7 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | C154 Y164 H165 S168 | C154-C162 VanDerWaalsContact CA-SG 3.55Å; C154-C162 HydrophobicContact CB-CB 3.76Å; C154-C162 WeakPolarHBondContact CB-SG 3.41Å; C154-C162 WeakPolarHBondContact SG-CB 3.3Å; C154-C162 CovalentContact SG-SG 2.03Å; C154-C162 PolarHBondContact SG-SG 2.83Å; C162-Y164 VanDerWaalsContact C-N 3.28Å; C162-Y164 PolarHBondContact O-N 3.39Å; C162-H165 HydrophobicContact CB-CB 4.23Å; C162-H165 CarbonylContact O-C 3.46Å; C162-H165 VanDerWaalsContact O-C 3.24Å; C162-H165 WeakPolarHBondContact O-CA 3.33Å; C162-H165 PolarHBondContact O-N 3.23Å; C162-S168 PolarHBondContact SG-O 3.41Å | ||
| 163 | T | 83.6 | Confident | 89.3 | Confident | 93 Ų | 93 | 49.1 Ų | 49.1 | 57% | 0.571 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -42.4 | -168.2 | -58.2 | 0 | 0 | 0 | 0 | 113 | V161 | V161-T163 PolarHBondContact O-N 3.3Å; V161-T163 PolarHBondContact O-OG1 3.16Å |
| 164 | Y | 83.1 | Confident | 89.7 | Confident | 92 Ų | 92 | 47.6 Ų | 47.6 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -1 | -179.8 | -52.1 | -63.5 | 0 | 0 | 0 | 113.3 | C162 P166 F237 Y238 L242 | C162-Y164 VanDerWaalsContact C-N 3.28Å; C162-Y164 PolarHBondContact O-N 3.39Å; Y164-P166 VanDerWaalsContact C-CD 3.46Å; Y164-F237 HydrophobicContact CD1-CD1 4.29Å; Y164-F237 AromaticContact CD1-CE1 3.99Å; Y164-F237 HydrophobicContact CD1-CE1 3.99Å; Y164-Y238 HydrophobicContact CD1-CE1 4.42Å; Y164-Y238 AromaticContact CE1-CE1 3.66Å; Y164-Y238 HydrophobicContact CE1-CE1 3.66Å; Y164-Y238 PolarHBondContact OH-OH 3.25Å; Y164-L242 HydrophobicContact CD1-CD1 4.15Å; Y164-L242 HydrophobicContact CE1-CD1 3.99Å |
| 165 | H | 90.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 48 Ų | 48 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -128.2 | 62.7 | -178.1 | -55 | -72.9 | 0 | 0 | 0 | 111.7 | C162 G167 S168 Q186 C188 | C162-H165 HydrophobicContact CB-CB 4.23Å; C162-H165 CarbonylContact O-C 3.46Å; C162-H165 VanDerWaalsContact O-C 3.24Å; C162-H165 WeakPolarHBondContact O-CA 3.33Å; C162-H165 PolarHBondContact O-N 3.23Å; H165-G167 PolarHBondContact O-N 2.94Å; H165-S168 VanDerWaalsContact O-CB 3.26Å; H165-S168 WeakPolarHBondContact O-CB 3.3Å; H165-S168 PolarHBondContact O-N 3.42Å; H165-S168 PolarHBondContact O-OG 2.89Å; H165-Q186 PolarHBondContact CE1-OE1 3.02Å; H165-Q186 PolarHBondContact NE2-NE2 3.42Å; H165-Q186 VanDerWaalsContact NE2-NE2 3.13Å; H165-Q186 PolarHBondContact NE2-OE1 3.01Å; H165-C188 VanDerWaalsContact CG-SG 3.6Å |
| 166 | P | 89.6 | Confident | 89.7 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 134.9 | 179.9 | 25.8 | -35.9 | 0 | 0 | 0 | 111.6 | Y164 S168 I202 | Y164-P166 VanDerWaalsContact C-CD 3.46Å; P166-S168 VanDerWaalsContact C-N 3.31Å; P166-I202 HydrophobicContact CG-CD1 3.88Å; P166-I202 HydrophobicContact CG-CG1 3.57Å |
| 167 | G | 90.3 | Very high | 89.8 | Confident | 59 Ų | 59 | 47.6 Ų | 47.6 | 61% | 0.608 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -13.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H165 D190 | H165-G167 PolarHBondContact O-N 2.94Å; G167-D190 WeakPolarHBondContact O-CB 3.41Å |
| 168 | S | 95.3 | Very high | 90 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 148.5 | 174.1 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | C162 H165 P166 C188 Y189 V196 G203 | C162-S168 PolarHBondContact SG-O 3.41Å; H165-S168 VanDerWaalsContact O-CB 3.26Å; H165-S168 WeakPolarHBondContact O-CB 3.3Å; H165-S168 PolarHBondContact O-N 3.42Å; H165-S168 PolarHBondContact O-OG 2.89Å; P166-S168 VanDerWaalsContact C-N 3.31Å; S168-C188 WeakPolarHBondContact OG-CB 3.47Å; S168-Y189 CarbonylContact C-O 3.58Å; S168-Y189 VanDerWaalsContact CA-O 3.28Å; S168-Y189 WeakPolarHBondContact CA-O 3.3Å; S168-V196 WeakPolarHBondContact OG-CG2 3.48Å; S168-G203 PolarHBondContact OG-O 2.02Å |
| 169 | V | 95.6 | Very high | 90.2 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -18.6 | 172 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | L138 I156 S160 Y189 | L138-V169 HydrophobicContact CD2-CG2 4.32Å; I156-V169 HydrophobicContact CD1-CB 4.35Å; I156-V169 HydrophobicContact CD1-CG2 4.13Å; S160-V169 PolarHBondContact OG-O 2.9Å; V169-Y189 PolarHBondContact N-O 2.8Å |
| 170 | H | 97.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 141.4 | 179.7 | -163 | 66.8 | 0 | 0 | 0 | 110.2 | L138 T150 C154 D155 I156 C188 Y189 | L138-H170 HydrophobicContact CD1-CB 3.68Å; L138-H170 VanDerWaalsContact CD1-CD2 3.44Å; L138-H170 WeakPolarHBondContact CD1-CD2 3.43Å; L138-H170 HydrophobicContact CD2-CB 4.35Å; T150-H170 VanDerWaalsContact CG2-CE1 3.44Å; T150-H170 WeakPolarHBondContact CG2-CE1 3.41Å; C154-H170 WeakPolarHBondContact O-CA 3.45Å; C154-H170 PolarHBondContact O-ND1 2.86Å; C154-H170 VanDerWaalsContact SG-C 3.51Å; C154-H170 VanDerWaalsContact SG-CA 3.55Å; D155-H170 IonicContact OD1-CE1 2.75Å; I156-H170 HydrophobicContact CB-CB 4.39Å; I156-H170 PolarHBondContact N-ND1 2.98Å; H170-C188 WeakPolarHBondContact O-CA 3.39Å; H170-Y189 PolarHBondContact N-O 2.8Å; H170-Y189 PolarHBondContact O-N 2.83Å |
| 171 | C | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.4 | 167.3 | -54.8 | 0 | 0 | 0 | 0 | 110.1 | D151 C154 Q186 C187 C188 | D151-C171 HydrophobicContact CB-CB 3.75Å; D151-C171 VanDerWaalsContact CB-O 3.3Å; D151-C171 WeakPolarHBondContact CB-O 3.37Å; D151-C171 PolarHBondContact N-O 3.44Å; C154-C171 HydrophobicContact CB-CB 3.93Å; C154-C171 PolarHBondContact O-N 2.86Å; C154-C171 PolarHBondContact SG-N 3.28Å; C154-C171 PolarHBondContact SG-SG 2.69Å; C171-Q186 HydrophobicContact CB-CG 4.24Å; C171-C187 CarbonylContact C-O 3.55Å; C171-C187 WeakPolarHBondContact CA-O 3.34Å; C171-C188 HydrophobicContact CB-CB 4.1Å; C171-C188 WeakPolarHBondContact CB-SG 3.45Å; C171-C188 VanDerWaalsContact SG-CA 3.58Å; C171-C188 WeakPolarHBondContact SG-CB 3.14Å; C171-C188 CovalentContact SG-SG 2.04Å; C171-C188 PolarHBondContact SG-SG 2.96Å |
| 172 | V | 96.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.5 | 168 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | A141 F148 H149 Q186 C187 Y189 | A141-V172 HydrophobicContact CB-CG1 4.17Å; A141-V172 HydrophobicContact CB-CG2 3.98Å; F148-V172 HydrophobicContact CB-CB 4.04Å; F148-V172 HydrophobicContact CB-CG2 3.85Å; F148-V172 HydrophobicContact CD1-CG2 3.76Å; F148-V172 HydrophobicContact CG-CG2 4Å; H149-V172 CarbonylContact O-C 3.24Å; H149-V172 VanDerWaalsContact O-CA 3.23Å; H149-V172 WeakPolarHBondContact O-CA 3.26Å; H149-V172 WeakPolarHBondContact O-CB 3.37Å; V172-Q186 CarbonylContact O-C 3.36Å; V172-Q186 WeakPolarHBondContact O-CA 3.34Å; V172-C187 HydrophobicContact CG2-CB 3.86Å; V172-C187 PolarHBondContact N-O 2.73Å; V172-C187 PolarHBondContact O-N 3.34Å; V172-Y189 HydrophobicContact CG2-CE2 4.26Å |
| 173 | R | 95.9 | Very high | 93 | Very high | 17 Ų | 17 | 35 Ų | 35 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 145 | 172.5 | -71.8 | 177.8 | 169.4 | -90.1 | 1.5 | 109.7 | F148 H149 D151 I175 Q185 Q186 D208 H229 | F148-R173 CarbonylContact C-O 3.49Å; F148-R173 VanDerWaalsContact CA-O 3.28Å; F148-R173 WeakPolarHBondContact CA-O 3.45Å; H149-R173 PolarHBondContact N-O 2.97Å; H149-R173 PolarHBondContact O-N 2.63Å; D151-R173 HydrophobicContact CB-CG 4.32Å; D151-R173 WeakPolarHBondContact OD2-CD 3.49Å; D151-R173 IonicContact OD2-CZ 3.22Å; D151-R173 IonicContact OD2-NE 2.83Å; D151-R173 PolarHBondContact OD2-NE 3.02Å; D151-R173 IonicContact OD2-NH2 3.81Å; R173-I175 PolarHBondContact O-N 2.9Å; R173-Q185 CarbonylContact C-O 3.56Å; R173-Q185 VanDerWaalsContact CA-O 3.27Å; R173-Q185 WeakPolarHBondContact CA-O 3.34Å; R173-Q186 HydrophobicContact CG-CB 4.23Å; R173-Q186 HydrophobicContact CG-CG 3.95Å; R173-D208 IonicContact CZ-OD2 2.75Å; R173-D208 IonicContact NH1-OD2 3.87Å; R173-D208 PolarHBondContact NH1-OD2 2.91Å; R173-D208 IonicContact NH2-OD2 2.58Å; R173-H229 PolarHBondContact NH2-NE2 3.33Å |
| 174 | A | 96 | Very high | 93.6 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 138 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | I132 R147 F148 Q185 H211 | I132-A174 HydrophobicContact CG2-CB 3.68Å; R147-A174 WeakPolarHBondContact O-CA 3.21Å; F148-A174 HydrophobicContact CE1-CB 4.44Å; A174-Q185 HydrophobicContact CB-CB 4.1Å; A174-Q185 PolarHBondContact N-O 2.79Å; A174-H211 PolarHBondContact O-NE2 2.77Å |
| 175 | I | 94.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -75.5 | -35.8 | -179.3 | -67 | 151.1 | 0 | 0 | 0 | 111 | R147 H149 R173 W213 F369 M381 | R147-I175 PolarHBondContact O-N 3.43Å; H149-I175 HydrophobicContact CB-CD1 4.34Å; H149-I175 HydrophobicContact CB-CG1 3.71Å; R173-I175 PolarHBondContact O-N 2.9Å; I175-W213 HydrophobicContact CB-CZ3 4.39Å; I175-W213 HydrophobicContact CG1-CZ3 4.37Å; I175-W213 HydrophobicContact CG2-CZ3 4.29Å; I175-F369 HydrophobicContact CG2-CB 3.71Å; I175-F369 HydrophobicContact CG2-CD1 3.94Å; I175-F369 HydrophobicContact CG2-CD2 4.06Å; I175-F369 HydrophobicContact CG2-CG 3.65Å; I175-M381 HydrophobicContact CD1-CB 4Å; I175-M381 HydrophobicContact CD1-CG 3.61Å; I175-M381 HydrophobicContact CD1-SD 3.21Å; I175-M381 WeakPolarHBondContact CD1-SD 3.15Å; I175-M381 HydrophobicContact CG1-SD 4.09Å; I175-M381 HydrophobicContact CG2-CB 4.37Å |
| 176 | Q | 92.3 | Very high | 94.5 | Very high | 64 Ų | 64 | 25.5 Ų | 25.5 | 30% | 0.299 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -105.9 | 128.9 | -172 | -60.8 | -66.4 | -27.7 | 0 | 0 | 110 | ||
| 177 | A | 94.3 | Very high | 94.9 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 12% | 0.124 | 14% | 0.136 | C | C | . | . | trans | -70.3 | 152.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A183 H211 | A177-A183 CarbonylContact C-O 3.59Å; A177-A183 VanDerWaalsContact CA-O 3.28Å; A177-A183 WeakPolarHBondContact CA-O 3.42Å; A177-H211 HydrophobicContact CB-CB 3.49Å; A177-H211 VanDerWaalsContact CB-CB 3.49Å | ||
| 178 | T | 94.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 6% | 0.061 | 11% | 0.107 | C | C | . | . | trans | -65.9 | 140 | 176.6 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | E130 I131 K180 A182 A183 | E130-T178 HydrophobicContact CB-CG2 3.66Å; E130-T178 WeakPolarHBondContact O-CG2 3.49Å; E130-T178 WeakPolarHBondContact OE2-CB 3.36Å; E130-T178 PolarHBondContact OE2-OG1 2.84Å; I131-T178 HydrophobicContact CD1-CG2 3.95Å; T178-K180 PolarHBondContact O-N 2.95Å; T178-A182 WeakPolarHBondContact O-CA 3.2Å; T178-A182 PolarHBondContact O-N 2.73Å; T178-A182 PolarHBondContact OG1-N 2.83Å; T178-A183 HydrophobicContact CG2-CB 4.09Å; T178-A183 PolarHBondContact N-O 3.25Å; T178-A183 PolarHBondContact OG1-N 2.92Å | ||
| 179 | P | 90.3 | Very high | 95.2 | Very high | 103 Ų | 103 | 19.5 Ų | 19.5 | 67% | 0.669 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -39 | -170.7 | 23.4 | -33.6 | 0 | 0 | 0 | 113 | R223 | P179-R223 PolarHBondContact O-NH1 3.06Å; P179-R223 PolarHBondContact O-NH2 2.97Å |
| 180 | K | 91.8 | Very high | 95.2 | Very high | 129 Ų | 129 | 19.4 Ų | 19.4 | 56% | 0.561 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -46.4 | -176.9 | -170.9 | -178.5 | 175.6 | -169.4 | 0 | 111.8 | E130 T178 R223 | E130-K180 WeakPolarHBondContact OE1-CB 3.19Å; E130-K180 WeakPolarHBondContact OE2-CB 3.49Å; E130-K180 PolarHBondContact OE2-N 2.76Å; T178-K180 PolarHBondContact O-N 2.95Å; K180-R223 PolarHBondContact O-NH2 3.48Å; K180-R223 VanDerWaalsContact O-NH2 3.09Å |
| 181 | Y | 94.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 24.2 Ų | 24.2 | 9% | 0.086 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -11.3 | -170.6 | -61.1 | -65.3 | 0 | 0 | 0 | 115.2 | Y27 P125 F127 E130 A183 P222 | Y27-Y181 HydrophobicContact CD1-CD1 4.49Å; Y27-Y181 AromaticContact CE1-CD1 3.79Å; Y27-Y181 HydrophobicContact CE1-CD1 3.79Å; Y27-Y181 AromaticContact CZ-CD1 3.84Å; Y27-Y181 PolarHBondContact OH-O 2.83Å; P125-Y181 HydrophobicContact CB-CD1 4.24Å; P125-Y181 HydrophobicContact CB-CE1 3.44Å; P125-Y181 VanDerWaalsContact CB-CE1 3.44Å; P125-Y181 HydrophobicContact CG-CE1 4.26Å; F127-Y181 HydrophobicContact CB-CD1 4.38Å; F127-Y181 HydrophobicContact CB-CD2 3.92Å; F127-Y181 HydrophobicContact CB-CG 3.72Å; E130-Y181 HydrophobicContact CG-CD2 4.3Å; E130-Y181 HydrophobicContact CG-CE2 4.48Å; E130-Y181 VanDerWaalsContact OE2-CD2 3.25Å; E130-Y181 WeakPolarHBondContact OE2-CD2 3.48Å; E130-Y181 PolarHBondContact OE2-N 2.86Å; Y181-A183 PolarHBondContact O-N 2.94Å; Y181-P222 WeakPolarHBondContact O-CG 3.37Å |
| 182 | A | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 56.6 | 33 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T178 H211 R223 | T178-A182 WeakPolarHBondContact O-CA 3.2Å; T178-A182 PolarHBondContact O-N 2.73Å; T178-A182 PolarHBondContact OG1-N 2.83Å; A182-H211 WeakPolarHBondContact O-CB 3.45Å; A182-H211 PolarHBondContact O-N 3.16Å; A182-R223 HydrophobicContact CB-CB 4.15Å; A182-R223 HydrophobicContact CB-CG 3.56Å | ||
| 183 | A | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -84.4 | 155.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F127 I131 A177 T178 Y181 D208 R209 | F127-A183 HydrophobicContact CB-CB 4.06Å; F127-A183 HydrophobicContact CD2-CB 3.32Å; F127-A183 HydrophobicContact CE2-CB 4Å; F127-A183 HydrophobicContact CG-CB 4Å; I131-A183 HydrophobicContact CD1-CB 3.6Å; A177-A183 CarbonylContact C-O 3.59Å; A177-A183 VanDerWaalsContact CA-O 3.28Å; A177-A183 WeakPolarHBondContact CA-O 3.42Å; T178-A183 HydrophobicContact CG2-CB 4.09Å; T178-A183 PolarHBondContact N-O 3.25Å; T178-A183 PolarHBondContact OG1-N 2.92Å; Y181-A183 PolarHBondContact O-N 2.94Å; A183-D208 CarbonylContact C-O 3.49Å; A183-D208 VanDerWaalsContact CA-O 3.25Å; A183-D208 WeakPolarHBondContact CA-O 3.46Å; A183-D208 VanDerWaalsContact CB-O 3.24Å; A183-D208 WeakPolarHBondContact CB-O 3.3Å; A183-R209 WeakPolarHBondContact CA-O 3.33Å | ||
| 184 | G | 95.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 170.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I131 P207 D208 | I131-G184 WeakPolarHBondContact CD1-O 3.45Å; G184-P207 CarbonylContact O-C 3.44Å; G184-P207 WeakPolarHBondContact O-CA 3.46Å; G184-D208 PolarHBondContact N-O 3.03Å; G184-D208 PolarHBondContact O-N 3.31Å |
| 185 | Q | 96.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.1 | 172.7 | -178.7 | 60.1 | 35.7 | 0 | 0 | 109.6 | I131 I132 C134 R173 A174 P207 | I131-Q185 HydrophobicContact CG2-CB 4.05Å; I131-Q185 HydrophobicContact CG2-CG 4.16Å; I132-Q185 HydrophobicContact CG2-CB 3.86Å; I132-Q185 HydrophobicContact CG2-CG 4.32Å; C134-Q185 PolarHBondContact SG-NE2 2.82Å; R173-Q185 CarbonylContact C-O 3.56Å; R173-Q185 VanDerWaalsContact CA-O 3.27Å; R173-Q185 WeakPolarHBondContact CA-O 3.34Å; A174-Q185 HydrophobicContact CB-CB 4.1Å; A174-Q185 PolarHBondContact N-O 2.79Å; Q185-P207 VanDerWaalsContact OE1-CA 3.25Å; Q185-P207 VanDerWaalsContact OE1-CB 3.26Å |
| 186 | Q | 96.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 136 | 169.1 | -166.4 | -161.5 | 51.1 | 0 | 0 | 109.7 | D151 H165 C171 V172 R173 S205 T206 | D151-Q186 PolarHBondContact OD2-NE2 3.08Å; H165-Q186 PolarHBondContact CE1-OE1 3.02Å; H165-Q186 PolarHBondContact NE2-NE2 3.42Å; H165-Q186 VanDerWaalsContact NE2-NE2 3.13Å; H165-Q186 PolarHBondContact NE2-OE1 3.01Å; C171-Q186 HydrophobicContact CB-CG 4.24Å; V172-Q186 CarbonylContact O-C 3.36Å; V172-Q186 WeakPolarHBondContact O-CA 3.34Å; R173-Q186 HydrophobicContact CG-CB 4.23Å; R173-Q186 HydrophobicContact CG-CG 3.95Å; Q186-S205 CarbonylContact O-C 3.43Å; Q186-S205 WeakPolarHBondContact O-CB 3.49Å; Q186-T206 WeakPolarHBondContact CA-O 3.36Å; Q186-T206 WeakPolarHBondContact CB-O 3.04Å; Q186-T206 PolarHBondContact N-O 3.14Å; Q186-T206 PolarHBondContact O-N 3.33Å |
| 187 | C | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 116.5 | -176.7 | -53.9 | 0 | 0 | 0 | 0 | 109.1 | C134 C171 V172 Y189 | C134-C187 WeakPolarHBondContact CA-SG 3.28Å; C134-C187 HydrophobicContact CB-CB 3.73Å; C134-C187 WeakPolarHBondContact CB-SG 3.38Å; C134-C187 WeakPolarHBondContact SG-CB 3.42Å; C134-C187 CovalentContact SG-SG 2.03Å; C134-C187 PolarHBondContact SG-SG 2.9Å; C171-C187 CarbonylContact C-O 3.55Å; C171-C187 WeakPolarHBondContact CA-O 3.34Å; V172-C187 HydrophobicContact CG2-CB 3.86Å; V172-C187 PolarHBondContact N-O 2.73Å; V172-C187 PolarHBondContact O-N 3.34Å; C187-Y189 HydrophobicContact CB-CE2 3.96Å; C187-Y189 WeakPolarHBondContact O-CE2 3.33Å |
| 188 | C | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.9 | -174.7 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | H165 S168 H170 C171 Q195 V196 S205 | H165-C188 VanDerWaalsContact CG-SG 3.6Å; S168-C188 WeakPolarHBondContact OG-CB 3.47Å; H170-C188 WeakPolarHBondContact O-CA 3.39Å; C171-C188 HydrophobicContact CB-CB 4.1Å; C171-C188 WeakPolarHBondContact CB-SG 3.45Å; C171-C188 VanDerWaalsContact SG-CA 3.58Å; C171-C188 WeakPolarHBondContact SG-CB 3.14Å; C171-C188 CovalentContact SG-SG 2.04Å; C171-C188 PolarHBondContact SG-SG 2.96Å; C188-Q195 WeakPolarHBondContact O-CA 3.33Å; C188-V196 PolarHBondContact O-N 2.82Å; C188-S205 PolarHBondContact N-OG 2.85Å; C188-S205 PolarHBondContact O-OG 2.9Å |
| 189 | Y | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.3 | -173.4 | -54.2 | -91.3 | 0 | 0 | 0 | 111.5 | P135 T137 L138 A141 S168 V169 H170 V172 C187 A194 Q195 | P135-Y189 WeakPolarHBondContact CB-OH 3.36Å; P135-Y189 WeakPolarHBondContact CD-OH 3.16Å; P135-Y189 WeakPolarHBondContact O-CE1 3.33Å; P135-Y189 PolarHBondContact O-OH 2.89Å; T137-Y189 VanDerWaalsContact C-CE1 3.47Å; L138-Y189 HydrophobicContact CB-CD1 4.17Å; L138-Y189 HydrophobicContact CB-CD2 4.42Å; L138-Y189 HydrophobicContact CB-CG 3.88Å; L138-Y189 HydrophobicContact CD1-CD2 3.9Å; L138-Y189 HydrophobicContact CD1-CG 4.13Å; A141-Y189 HydrophobicContact CB-CD2 4.29Å; A141-Y189 HydrophobicContact CB-CE1 4.43Å; A141-Y189 HydrophobicContact CB-CE2 3.43Å; A141-Y189 VanDerWaalsContact CB-CE2 3.43Å; A141-Y189 WeakPolarHBondContact CB-OH 3.42Å; S168-Y189 CarbonylContact C-O 3.58Å; S168-Y189 VanDerWaalsContact CA-O 3.28Å; S168-Y189 WeakPolarHBondContact CA-O 3.3Å; V169-Y189 PolarHBondContact N-O 2.8Å; H170-Y189 PolarHBondContact N-O 2.8Å; H170-Y189 PolarHBondContact O-N 2.83Å; V172-Y189 HydrophobicContact CG2-CE2 4.26Å; C187-Y189 HydrophobicContact CB-CE2 3.96Å; C187-Y189 WeakPolarHBondContact O-CE2 3.33Å; Y189-A194 CarbonylContact C-O 3.57Å; Y189-A194 VanDerWaalsContact CA-O 3.27Å; Y189-A194 WeakPolarHBondContact CA-O 3.45Å; Y189-Q195 HydrophobicContact CD1-CB 4.21Å; Y189-Q195 HydrophobicContact CE1-CB 4.08Å; Y189-Q195 HydrophobicContact CE1-CG 4.35Å |
| 190 | D | 95.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 26.3 Ų | 26.3 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 174.8 | 174.8 | 73.3 | 18.1 | 0 | 0 | 0 | 112.2 | G167 T192 G193 A194 V196 | G167-D190 WeakPolarHBondContact O-CB 3.41Å; D190-T192 VanDerWaalsContact CG-OG1 3.31Å; D190-T192 PolarHBondContact O-N 2.84Å; D190-T192 VanDerWaalsContact OD1-CA 3.25Å; D190-T192 WeakPolarHBondContact OD1-CA 3.43Å; D190-T192 WeakPolarHBondContact OD1-CB 3.2Å; D190-T192 PolarHBondContact OD1-N 3.45Å; D190-T192 PolarHBondContact OD1-OG1 3.47Å; D190-T192 PolarHBondContact OD2-OG1 3.39Å; D190-G193 PolarHBondContact O-N 2.95Å; D190-G193 PolarHBondContact OD1-N 3.4Å; D190-G193 VanDerWaalsContact OD1-N 3.13Å; D190-A194 PolarHBondContact N-O 2.84Å; D190-A194 PolarHBondContact OD1-N 3.2Å; D190-V196 HydrophobicContact CB-CG2 3.99Å |
| 191 | S | 94.1 | Very high | 94.7 | Very high | 100 Ų | 100 | 22 Ų | 22 | 70% | 0.699 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -11.8 | 179 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 192 | T | 94.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 25 Ų | 25 | 47% | 0.466 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 0 | 175.7 | 74.5 | 0 | 0 | 0 | 0 | 112.6 | D190 A194 R561 | D190-T192 VanDerWaalsContact CG-OG1 3.31Å; D190-T192 PolarHBondContact O-N 2.84Å; D190-T192 VanDerWaalsContact OD1-CA 3.25Å; D190-T192 WeakPolarHBondContact OD1-CA 3.43Å; D190-T192 WeakPolarHBondContact OD1-CB 3.2Å; D190-T192 PolarHBondContact OD1-N 3.45Å; D190-T192 PolarHBondContact OD1-OG1 3.47Å; D190-T192 PolarHBondContact OD2-OG1 3.39Å; T192-A194 VanDerWaalsContact C-N 3.31Å; T192-R561 PolarHBondContact OG1-NE 2.71Å; T192-R561 PolarHBondContact OG1-NH2 2.8Å |
| 193 | G | 95.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 25 Ų | 25 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 80.2 | 9.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T137 L138 D190 | T137-G193 CarbonylContact C-O 3.57Å; T137-G193 VanDerWaalsContact CA-O 3.3Å; T137-G193 WeakPolarHBondContact CA-O 3.49Å; L138-G193 PolarHBondContact N-O 2.67Å; D190-G193 PolarHBondContact O-N 2.95Å; D190-G193 PolarHBondContact OD1-N 3.4Å; D190-G193 VanDerWaalsContact OD1-N 3.13Å |
| 194 | A | 95.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 25 Ų | 25 | 12% | 0.116 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -86.1 | 142.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y189 D190 T192 V196 R561 | Y189-A194 CarbonylContact C-O 3.57Å; Y189-A194 VanDerWaalsContact CA-O 3.27Å; Y189-A194 WeakPolarHBondContact CA-O 3.45Å; D190-A194 PolarHBondContact N-O 2.84Å; D190-A194 PolarHBondContact OD1-N 3.2Å; T192-A194 VanDerWaalsContact C-N 3.31Å; A194-V196 PolarHBondContact O-N 3.23Å; A194-R561 HydrophobicContact CB-CG 4.25Å |
| 195 | Q | 95.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 25 Ų | 25 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -62.2 | 132.6 | 174.9 | -167.3 | -171.1 | 21 | 0 | 0 | 110.7 | C134 C188 Y189 L197 S205 S257 | C134-Q195 PolarHBondContact SG-NE2 3.5Å; C134-Q195 VanDerWaalsContact SG-NE2 3.44Å; C188-Q195 WeakPolarHBondContact O-CA 3.33Å; Y189-Q195 HydrophobicContact CD1-CB 4.21Å; Y189-Q195 HydrophobicContact CE1-CB 4.08Å; Y189-Q195 HydrophobicContact CE1-CG 4.35Å; Q195-L197 HydrophobicContact CG-CD2 4.03Å; Q195-S205 WeakPolarHBondContact CG-OG 3.47Å; Q195-S257 PolarHBondContact NE2-O 2.86Å; Q195-S257 PolarHBondContact OE1-O 3.28Å |
| 196 | V | 94.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -88.4 | 126.9 | 172.5 | -170.7 | 0 | 0 | 0 | 0 | 108.3 | S168 C188 D190 A194 G204 S205 | S168-V196 WeakPolarHBondContact OG-CG2 3.48Å; C188-V196 PolarHBondContact O-N 2.82Å; D190-V196 HydrophobicContact CB-CG2 3.99Å; A194-V196 PolarHBondContact O-N 3.23Å; V196-G204 CarbonylContact O-C 3.56Å; V196-G204 WeakPolarHBondContact O-CA 3.46Å; V196-S205 PolarHBondContact O-N 2.88Å; V196-S205 PolarHBondContact O-OG 3.27Å |
| 197 | L | 94.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -107.6 | 143 | -178 | -57.4 | -177.3 | 0 | 0 | 0 | 111.6 | Q195 A199 D200 S201 S256 W548 Y562 | Q195-L197 HydrophobicContact CG-CD2 4.03Å; L197-A199 PolarHBondContact O-N 2.73Å; L197-D200 PolarHBondContact O-N 2.85Å; L197-S201 PolarHBondContact O-N 3.4Å; L197-S256 WeakPolarHBondContact CA-OG 3.4Å; L197-W548 HydrophobicContact CD1-CB 3.91Å; L197-W548 HydrophobicContact CD1-CG 4.28Å; L197-Y562 HydrophobicContact CD1-CD2 3.77Å; L197-Y562 HydrophobicContact CD1-CE2 3.5Å; L197-Y562 VanDerWaalsContact CD1-CE2 3.5Å; L197-Y562 HydrophobicContact CG-CE2 4.34Å |
| 198 | T | 93.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 25.1 Ų | 25.1 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -24.1 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | D200 S201 S205 T206 F251 S256 | T198-D200 PolarHBondContact O-N 2.88Å; T198-S201 WeakPolarHBondContact CA-O 3.36Å; T198-S205 WeakPolarHBondContact CG2-O 3.16Å; T198-T206 HydrophobicContact CG2-CG2 3.74Å; T198-F251 VanDerWaalsContact CB-CD1 3.44Å; T198-F251 HydrophobicContact CG2-CD1 3.35Å; T198-F251 HydrophobicContact CG2-CE1 3.51Å; T198-F251 HydrophobicContact CG2-CG 4.06Å; T198-F251 HydrophobicContact CG2-CZ 4.29Å; T198-S256 WeakPolarHBondContact CG2-OG 3.37Å; T198-S256 PolarHBondContact N-OG 3.12Å; T198-S256 PolarHBondContact OG1-N 2.87Å; T198-S256 VanDerWaalsContact OG1-N 3.09Å; T198-S256 PolarHBondContact OG1-OG 2.04Å |
| 199 | A | 90.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 25.3 Ų | 25.3 | 46% | 0.463 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | L197 W548 | L197-A199 PolarHBondContact O-N 2.73Å; A199-W548 HydrophobicContact CB-CD2 4.07Å; A199-W548 HydrophobicContact CB-CG 4.45Å; A199-W548 HydrophobicContact CB-CH2 4.22Å; A199-W548 HydrophobicContact CB-CZ2 3.52Å |
| 200 | D | 90.8 | Very high | 93.4 | Very high | 50 Ų | 50 | 25.3 Ų | 25.3 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -26.2 | 178.7 | -61.4 | -39.6 | 0 | 0 | 0 | 113.7 | L197 T198 W548 K557 T560 Y562 | L197-D200 PolarHBondContact O-N 2.85Å; T198-D200 PolarHBondContact O-N 2.88Å; D200-W548 PolarHBondContact OD1-NE1 3.35Å; D200-K557 WeakPolarHBondContact OD1-CE 3.37Å; D200-K557 IonicContact OD1-NZ 3.4Å; D200-K557 PolarHBondContact OD1-NZ 2.81Å; D200-K557 IonicContact OD2-NZ 2.79Å; D200-T560 HydrophobicContact CB-CG2 3.86Å; D200-Y562 PolarHBondContact OD1-OH 2.8Å; D200-Y562 VanDerWaalsContact OD1-OH 3.11Å; D200-Y562 WeakPolarHBondContact OD2-CE2 3.39Å; D200-Y562 VanDerWaalsContact OD2-CZ 3.29Å; D200-Y562 PolarHBondContact OD2-OH 3.08Å |
| 201 | S | 90.7 | Very high | 93.5 | Very high | 37 Ų | 37 | 24.2 Ų | 24.2 | 26% | 0.259 | 16% | 0.156 | S | C | . | . | trans | -148.9 | 144.7 | -175.7 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | L197 T198 G203 G204 | L197-S201 PolarHBondContact O-N 3.4Å; T198-S201 WeakPolarHBondContact CA-O 3.36Å; S201-G203 PolarHBondContact O-N 2.84Å; S201-G203 PolarHBondContact OG-N 3.43Å; S201-G203 VanDerWaalsContact OG-N 3.1Å; S201-G204 PolarHBondContact O-N 3.29Å; S201-G204 VanDerWaalsContact O-N 3.17Å | ||
| 202 | I | 89 | Confident | 93.4 | Very high | 87 Ų | 87 | 19.8 Ų | 19.8 | 45% | 0.446 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.1 | 171.6 | 65.9 | 171.6 | 0 | 0 | 0 | 112.7 | P166 G204 C247 F251 | P166-I202 HydrophobicContact CG-CD1 3.88Å; P166-I202 HydrophobicContact CG-CG1 3.57Å; I202-G204 VanDerWaalsContact C-N 3.3Å; I202-C247 HydrophobicContact CG2-CB 4.3Å; I202-F251 HydrophobicContact CB-CE2 4.32Å; I202-F251 HydrophobicContact CB-CZ 4.19Å; I202-F251 HydrophobicContact CG2-CE2 4.19Å; I202-F251 WeakPolarHBondContact O-CZ 3.25Å |
| 203 | G | 87.4 | Confident | 93.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 17.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | S168 S201 | S168-G203 PolarHBondContact OG-O 2.02Å; S201-G203 PolarHBondContact O-N 2.84Å; S201-G203 PolarHBondContact OG-N 3.43Å; S201-G203 VanDerWaalsContact OG-N 3.1Å |
| 204 | G | 90 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -63.1 | 163.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V196 S201 I202 | V196-G204 CarbonylContact O-C 3.56Å; V196-G204 WeakPolarHBondContact O-CA 3.46Å; S201-G204 PolarHBondContact O-N 3.29Å; S201-G204 VanDerWaalsContact O-N 3.17Å; I202-G204 VanDerWaalsContact C-N 3.3Å | ||
| 205 | S | 91.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -62.1 | 131.3 | 172.3 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | Q186 C188 Q195 V196 T198 S256 | Q186-S205 CarbonylContact O-C 3.43Å; Q186-S205 WeakPolarHBondContact O-CB 3.49Å; C188-S205 PolarHBondContact N-OG 2.85Å; C188-S205 PolarHBondContact O-OG 2.9Å; Q195-S205 WeakPolarHBondContact CG-OG 3.47Å; V196-S205 PolarHBondContact O-N 2.88Å; V196-S205 PolarHBondContact O-OG 3.27Å; T198-S205 WeakPolarHBondContact CG2-O 3.16Å; S205-S256 VanDerWaalsContact O-CA 3.3Å; S205-S256 WeakPolarHBondContact O-CA 3.36Å; S205-S256 VanDerWaalsContact O-CB 3.3Å; S205-S256 WeakPolarHBondContact O-CB 3.34Å; S205-S256 PolarHBondContact O-OG 2.85Å |
| 206 | T | 95 | Very high | 92.4 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | trans | -122.8 | 137.8 | -178.2 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | Q186 T198 Y250 F251 R254 | Q186-T206 WeakPolarHBondContact CA-O 3.36Å; Q186-T206 WeakPolarHBondContact CB-O 3.04Å; Q186-T206 PolarHBondContact N-O 3.14Å; Q186-T206 PolarHBondContact O-N 3.33Å; T198-T206 HydrophobicContact CG2-CG2 3.74Å; T206-Y250 HydrophobicContact CG2-CE1 3.95Å; T206-F251 HydrophobicContact CG2-CE1 4.48Å; T206-R254 HydrophobicContact CG2-CB 4.44Å | ||
| 207 | P | 96.3 | Very high | 92 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 150.6 | 157.9 | 33.7 | -33.8 | 0 | 0 | 0 | 108.2 | F127 L128 I131 G184 Q185 R254 P255 | F127-P207 HydrophobicContact CE2-CB 3.97Å; F127-P207 HydrophobicContact CZ-CB 4.49Å; L128-P207 HydrophobicContact CD2-CB 3.76Å; L128-P207 HydrophobicContact CD2-CG 3.45Å; L128-P207 VanDerWaalsContact CD2-CG 3.45Å; I131-P207 HydrophobicContact CD1-CB 4.4Å; I131-P207 HydrophobicContact CG1-CB 4.2Å; I131-P207 HydrophobicContact CG2-CB 4.33Å; G184-P207 CarbonylContact O-C 3.44Å; G184-P207 WeakPolarHBondContact O-CA 3.46Å; Q185-P207 VanDerWaalsContact OE1-CA 3.25Å; Q185-P207 VanDerWaalsContact OE1-CB 3.26Å; P207-R254 WeakPolarHBondContact O-CD 3.48Å; P207-P255 WeakPolarHBondContact CD-O 3.05Å; P207-P255 WeakPolarHBondContact CG-O 3.37Å |
| 208 | D | 95.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.6 | 179 | -59.9 | -40.7 | 0 | 0 | 0 | 109.1 | F127 R173 A183 G184 A210 H229 | F127-D208 WeakPolarHBondContact CE2-O 3.12Å; R173-D208 IonicContact CZ-OD2 2.75Å; R173-D208 IonicContact NH1-OD2 3.87Å; R173-D208 PolarHBondContact NH1-OD2 2.91Å; R173-D208 IonicContact NH2-OD2 2.58Å; A183-D208 CarbonylContact C-O 3.49Å; A183-D208 VanDerWaalsContact CA-O 3.25Å; A183-D208 WeakPolarHBondContact CA-O 3.46Å; A183-D208 VanDerWaalsContact CB-O 3.24Å; A183-D208 WeakPolarHBondContact CB-O 3.3Å; G184-D208 PolarHBondContact N-O 3.03Å; G184-D208 PolarHBondContact O-N 3.31Å; D208-A210 VanDerWaalsContact C-N 3.26Å; D208-A210 WeakPolarHBondContact CB-O 3.13Å; D208-A210 PolarHBondContact O-N 3.34Å; D208-H229 IonicContact OD1-CE1 2.82Å; D208-H229 PolarHBondContact OD1-CE1 3.19Å; D208-H229 IonicContact OD2-CE1 3.77Å |
| 209 | R | 95.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -65.1 | -38.2 | 177.2 | 171.4 | 174 | -65.5 | -74.6 | 1.4 | 110.8 | E121 P125 F127 A183 Y232 D233 R254 | E121-R209 VanDerWaalsContact CD-NH2 3.33Å; E121-R209 IonicContact OE1-CZ 3.62Å; E121-R209 IonicContact OE1-NE 3.14Å; E121-R209 PolarHBondContact OE1-NE 3.4Å; E121-R209 IonicContact OE1-NH2 3.39Å; E121-R209 IonicContact OE2-CZ 2.64Å; E121-R209 IonicContact OE2-NE 2.76Å; E121-R209 PolarHBondContact OE2-NE 3.19Å; E121-R209 IonicContact OE2-NH2 2.76Å; E121-R209 PolarHBondContact OE2-NH2 2.96Å; P125-R209 PolarHBondContact O-NH1 3.48Å; F127-R209 HydrophobicContact CD1-CB 4.16Å; F127-R209 HydrophobicContact CD1-CG 4.32Å; F127-R209 HydrophobicContact CE1-CB 3.77Å; F127-R209 HydrophobicContact CE1-CG 4.39Å; F127-R209 HydrophobicContact CZ-CB 4.01Å; A183-R209 WeakPolarHBondContact CA-O 3.33Å; R209-Y232 HydrophobicContact CG-CG 4.44Å; R209-D233 PolarHBondContact N-OD1 3.49Å; R209-D233 PolarHBondContact N-OD2 2.91Å; R209-D233 VanDerWaalsContact N-OD2 3.12Å; R209-R254 VanDerWaalsContact CB-NH2 3.32Å |
| 210 | A | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -114.1 | 120.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | D208 D212 P222 S228 H229 Y232 D233 | D208-A210 VanDerWaalsContact C-N 3.26Å; D208-A210 WeakPolarHBondContact CB-O 3.13Å; D208-A210 PolarHBondContact O-N 3.34Å; A210-D212 PolarHBondContact O-N 2.78Å; A210-P222 HydrophobicContact CB-CB 4.01Å; A210-P222 VanDerWaalsContact CB-O 3.29Å; A210-P222 WeakPolarHBondContact CB-O 3.26Å; A210-S228 WeakPolarHBondContact CB-O 3.32Å; A210-H229 HydrophobicContact CB-CB 4.37Å; A210-H229 PolarHBondContact O-ND1 2.98Å; A210-H229 VanDerWaalsContact O-ND1 3.13Å; A210-Y232 HydrophobicContact CB-CD2 4.39Å; A210-D233 PolarHBondContact N-OD2 3.43Å |
| 211 | H | 95.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | trans | -60.1 | 132.9 | 174.1 | -169.2 | -81.5 | 0 | 0 | 0 | 110 | A174 A177 A182 W213 G214 | A174-H211 PolarHBondContact O-NE2 2.77Å; A177-H211 HydrophobicContact CB-CB 3.49Å; A177-H211 VanDerWaalsContact CB-CB 3.49Å; A182-H211 WeakPolarHBondContact O-CB 3.45Å; A182-H211 PolarHBondContact O-N 3.16Å; H211-W213 VanDerWaalsContact C-N 3.3Å; H211-W213 AromaticContact CE1-CE3 3.76Å; H211-W213 PolarHBondContact ND1-N 3.36Å; H211-W213 VanDerWaalsContact ND1-N 3.15Å; H211-W213 PolarHBondContact O-N 3.49Å; H211-G214 WeakPolarHBondContact O-CA 3.42Å; H211-G214 PolarHBondContact O-N 3.29Å | ||
| 212 | D | 93.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -40.6 | -176.1 | 178.7 | 58.2 | 0 | 0 | 0 | 112.9 | Y152 A210 G214 G226 H229 | Y152-D212 VanDerWaalsContact CE1-OD2 3.26Å; Y152-D212 WeakPolarHBondContact CE1-OD2 3.36Å; Y152-D212 PolarHBondContact OH-OD1 2.83Å; Y152-D212 PolarHBondContact OH-OD2 2.93Å; A210-D212 PolarHBondContact O-N 2.78Å; D212-G214 PolarHBondContact O-N 2.74Å; D212-G226 PolarHBondContact O-N 2.66Å; D212-H229 HydrophobicContact CB-CB 4.43Å; D212-H229 IonicContact OD1-CD2 2.68Å; D212-H229 PolarHBondContact OD1-CD2 3.06Å; D212-H229 VanDerWaalsContact OD1-CD2 3.29Å; D212-H229 IonicContact OD1-CG 3.11Å |
| 213 | W | 91.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 29.3 Ų | 29.3 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.2 | 174.7 | -53.8 | -25.9 | 0 | 0 | 0 | 114.6 | H149 I175 H211 P225 W362 F369 | H149-W213 HydrophobicContact CB-CH2 3.75Å; H149-W213 HydrophobicContact CB-CZ3 4.41Å; H149-W213 AromaticContact CG-CH2 3.72Å; H149-W213 AromaticContact ND1-CH2 3.68Å; I175-W213 HydrophobicContact CB-CZ3 4.39Å; I175-W213 HydrophobicContact CG1-CZ3 4.37Å; I175-W213 HydrophobicContact CG2-CZ3 4.29Å; H211-W213 VanDerWaalsContact C-N 3.3Å; H211-W213 AromaticContact CE1-CE3 3.76Å; H211-W213 PolarHBondContact ND1-N 3.36Å; H211-W213 VanDerWaalsContact ND1-N 3.15Å; H211-W213 PolarHBondContact O-N 3.49Å; W213-P225 WeakPolarHBondContact O-CB 3.42Å; W213-P225 WeakPolarHBondContact O-CG 3.3Å; W213-W362 HydrophobicContact CG-CH2 4.36Å; W213-F369 HydrophobicContact CD2-CE2 4.39Å; W213-F369 HydrophobicContact CE3-CD2 4.45Å; W213-F369 AromaticContact CE3-CE2 3.68Å; W213-F369 HydrophobicContact CE3-CE2 3.68Å; W213-F369 HydrophobicContact CE3-CZ 4.04Å; W213-F369 HydrophobicContact CH2-CE2 4.42Å; W213-F369 AromaticContact CH2-CZ 3.94Å; W213-F369 HydrophobicContact CH2-CZ 3.94Å; W213-F369 HydrophobicContact CZ3-CD2 4.47Å; W213-F369 HydrophobicContact CZ3-CE1 4.33Å; W213-F369 AromaticContact CZ3-CE2 3.69Å; W213-F369 HydrophobicContact CZ3-CE2 3.69Å; W213-F369 AromaticContact CZ3-CZ 3.61Å; W213-F369 HydrophobicContact CZ3-CZ 3.61Å |
| 214 | G | 92.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | trans | 71.2 | -163.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H211 D212 R223 | H211-G214 WeakPolarHBondContact O-CA 3.42Å; H211-G214 PolarHBondContact O-N 3.29Å; D212-G214 PolarHBondContact O-N 2.74Å; G214-R223 WeakPolarHBondContact CA-O 3.43Å | ||
| 215 | S | 90.4 | Very high | 92.3 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | trans | -157.3 | 145.3 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | P217 F218 R223 | S215-P217 CarbonylContact O-C 3.6Å; S215-P217 VanDerWaalsContact O-C 3.25Å; S215-F218 PolarHBondContact O-N 3.04Å; S215-R223 PolarHBondContact N-O 3.47Å; S215-R223 WeakPolarHBondContact O-CB 3.36Å; S215-R223 PolarHBondContact OG-NH1 2.95Å; S215-R223 VanDerWaalsContact OG-NH1 3.08Å | ||
| 216 | P | 85.3 | Confident | 92.3 | Very high | 76 Ų | 76 | 33.3 Ų | 33.3 | 49% | 0.494 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -60.1 | 145.4 | 168.7 | -23.7 | 33.6 | 0 | 0 | 0 | 112.6 | F218 R223 | P216-F218 HydrophobicContact CB-CE2 4.41Å; P216-F218 HydrophobicContact CG-CD2 4.44Å; P216-F218 HydrophobicContact CG-CE2 3.74Å; P216-F218 HydrophobicContact CG-CZ 3.79Å; P216-R223 PolarHBondContact O-NH1 2.9Å |
| 217 | P | 86.5 | Confident | 92.3 | Very high | 83 Ų | 83 | 34.7 Ų | 34.7 | 54% | 0.539 | 18% | 0.181 | S | C | . | . | S | Bend | cis | -69.1 | 123.6 | -14.2 | 30.2 | -33 | 0 | 0 | 0 | 110.4 | S215 | S215-P217 CarbonylContact O-C 3.6Å; S215-P217 VanDerWaalsContact O-C 3.25Å |
| 218 | F | 84.4 | Confident | 92.3 | Very high | 85 Ų | 85 | 34.7 Ų | 34.7 | 37% | 0.373 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 158.8 | 175.2 | -58.3 | -71.3 | 0 | 0 | 0 | 110.5 | S215 P216 P225 D364 | S215-F218 PolarHBondContact O-N 3.04Å; P216-F218 HydrophobicContact CB-CE2 4.41Å; P216-F218 HydrophobicContact CG-CD2 4.44Å; P216-F218 HydrophobicContact CG-CE2 3.74Å; P216-F218 HydrophobicContact CG-CZ 3.79Å; F218-P225 HydrophobicContact CD1-CG 3.68Å; F218-P225 HydrophobicContact CE1-CG 4.07Å; F218-D364 WeakPolarHBondContact CZ-OD2 3.43Å |
| 219 | K | 86.3 | Confident | 92.3 | Very high | 179 Ų | 179 | 35.1 Ų | 35.1 | 78% | 0.778 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 4.2 | -179.4 | -47.2 | 175.1 | -179.6 | -178.8 | 0 | 116.2 | ||
| 220 | K | 91.8 | Very high | 92.2 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -112.7 | 126.1 | 168.3 | -73.8 | -169.5 | 167.6 | -171.6 | 0 | 109.1 | E29 R223 | E29-K220 IonicContact OE1-NZ 3.57Å; E29-K220 PolarHBondContact OE1-NZ 2.74Å; E29-K220 IonicContact OE2-NZ 3.72Å; E29-K220 PolarHBondContact OE2-NZ 2.87Å; K220-R223 VanDerWaalsContact O-CA 3.25Å; K220-R223 WeakPolarHBondContact O-CA 3.46Å; K220-R223 WeakPolarHBondContact O-CB 3.37Å; K220-R223 VanDerWaalsContact O-CG 3.24Å; K220-R223 WeakPolarHBondContact O-CG 3.46Å; K220-R223 PolarHBondContact O-N 2.89Å |
| 221 | P | 94.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 145 | 166.9 | -36.3 | 43.3 | 0 | 0 | 0 | 114 | E22 W31 I224 | E22-P221 HydrophobicContact CB-CG 4.11Å; E22-P221 VanDerWaalsContact CD-CG 3.45Å; E22-P221 HydrophobicContact CG-CB 4.42Å; E22-P221 HydrophobicContact CG-CG 3.81Å; E22-P221 WeakPolarHBondContact OE2-CB 3.42Å; E22-P221 WeakPolarHBondContact OE2-CG 3.49Å; W31-P221 HydrophobicContact CB-CB 4.47Å; W31-P221 HydrophobicContact CD2-CB 3.33Å; W31-P221 HydrophobicContact CD2-CG 4.34Å; W31-P221 HydrophobicContact CE3-CB 3.8Å; W31-P221 VanDerWaalsContact CE3-O 3.23Å; W31-P221 HydrophobicContact CG-CB 3.6Å; W31-P221 HydrophobicContact CG-CG 4.11Å; W31-P221 HydrophobicContact CZ2-CB 4.03Å; W31-P221 HydrophobicContact CZ3-CB 4.4Å; P221-I224 HydrophobicContact CG-CD1 3.98Å |
| 222 | P | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.2 | 35.6 | -5.5 | 38.5 | -28.4 | 0 | 0 | 0 | 110.6 | Y27 W31 Y181 A210 S228 Y232 | Y27-P222 HydrophobicContact CE1-CG 4.12Å; W31-P222 HydrophobicContact CH2-CB 3.96Å; W31-P222 HydrophobicContact CH2-CG 3.93Å; W31-P222 HydrophobicContact CZ2-CB 4.45Å; W31-P222 HydrophobicContact CZ3-CB 4.44Å; W31-P222 VanDerWaalsContact CZ3-CD 3.45Å; W31-P222 HydrophobicContact CZ3-CG 4.07Å; Y181-P222 WeakPolarHBondContact O-CG 3.37Å; A210-P222 HydrophobicContact CB-CB 4.01Å; A210-P222 VanDerWaalsContact CB-O 3.29Å; A210-P222 WeakPolarHBondContact CB-O 3.26Å; P222-S228 WeakPolarHBondContact CA-OG 3.5Å; P222-S228 VanDerWaalsContact O-CB 3.22Å; P222-S228 WeakPolarHBondContact O-CB 3.47Å; P222-Y232 HydrophobicContact CB-CD2 4.1Å; P222-Y232 HydrophobicContact CB-CE2 4.03Å |
| 223 | R | 94.3 | Very high | 92.2 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | trans | -102 | 10.1 | -172.2 | -34.7 | -169.1 | 161.8 | -113.9 | -10.1 | 113.9 | P179 K180 A182 G214 S215 P216 K220 P225 | P179-R223 PolarHBondContact O-NH1 3.06Å; P179-R223 PolarHBondContact O-NH2 2.97Å; K180-R223 PolarHBondContact O-NH2 3.48Å; K180-R223 VanDerWaalsContact O-NH2 3.09Å; A182-R223 HydrophobicContact CB-CB 4.15Å; A182-R223 HydrophobicContact CB-CG 3.56Å; G214-R223 WeakPolarHBondContact CA-O 3.43Å; S215-R223 PolarHBondContact N-O 3.47Å; S215-R223 WeakPolarHBondContact O-CB 3.36Å; S215-R223 PolarHBondContact OG-NH1 2.95Å; S215-R223 VanDerWaalsContact OG-NH1 3.08Å; P216-R223 PolarHBondContact O-NH1 2.9Å; K220-R223 VanDerWaalsContact O-CA 3.25Å; K220-R223 WeakPolarHBondContact O-CA 3.46Å; K220-R223 WeakPolarHBondContact O-CB 3.37Å; K220-R223 VanDerWaalsContact O-CG 3.24Å; K220-R223 WeakPolarHBondContact O-CG 3.46Å; K220-R223 PolarHBondContact O-N 2.89Å; R223-P225 WeakPolarHBondContact O-CD 2.92Å | ||
| 224 | I | 94.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 38.5 Ų | 38.5 | 9% | 0.087 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -81 | 117.3 | -177.6 | -57.3 | -175.8 | 0 | 0 | 0 | 108 | Y20 P221 G226 Q227 S228 | Y20-I224 WeakPolarHBondContact OH-CD1 3.19Å; P221-I224 HydrophobicContact CG-CD1 3.98Å; I224-G226 PolarHBondContact O-N 3.39Å; I224-Q227 HydrophobicContact CG2-CB 4.11Å; I224-Q227 PolarHBondContact O-N 2.9Å; I224-S228 WeakPolarHBondContact CB-OG 3.48Å; I224-S228 PolarHBondContact N-OG 2.92Å; I224-S228 VanDerWaalsContact N-OG 3.09Å; I224-S228 PolarHBondContact O-N 3.43Å; I224-S228 VanDerWaalsContact O-N 3.12Å |
| 225 | P | 92.8 | Very high | 92.4 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 130.4 | -175.7 | -25.2 | 34.2 | 0 | 0 | 0 | 112.3 | W213 F218 R223 Q227 | W213-P225 WeakPolarHBondContact O-CB 3.42Å; W213-P225 WeakPolarHBondContact O-CG 3.3Å; F218-P225 HydrophobicContact CD1-CG 3.68Å; F218-P225 HydrophobicContact CE1-CG 4.07Å; R223-P225 WeakPolarHBondContact O-CD 2.92Å; P225-Q227 PolarHBondContact O-N 3.42Å; P225-Q227 PolarHBondContact O-NE2 3.26Å; P225-Q227 PolarHBondContact O-OE1 2.9Å |
| 226 | G | 92.2 | Very high | 92.6 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -58.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D212 I224 S228 H229 W230 | D212-G226 PolarHBondContact O-N 2.66Å; I224-G226 PolarHBondContact O-N 3.39Å; G226-S228 PolarHBondContact O-N 3.41Å; G226-H229 WeakPolarHBondContact O-CB 3.26Å; G226-H229 PolarHBondContact O-N 3.45Å; G226-W230 PolarHBondContact O-N 3.24Å |
| 227 | Q | 94.6 | Very high | 93 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 16% | 0.164 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | -167.7 | -70.7 | 80.1 | 58.3 | 0 | 0 | 113.9 | Y20 W35 D91 I224 P225 H229 W230 V231 | Y20-Q227 HydrophobicContact CD1-CB 3.81Å; Y20-Q227 HydrophobicContact CD1-CG 4.18Å; Y20-Q227 HydrophobicContact CD2-CB 4.23Å; Y20-Q227 HydrophobicContact CD2-CG 4.02Å; Y20-Q227 HydrophobicContact CE1-CB 3.44Å; Y20-Q227 VanDerWaalsContact CE1-CB 3.44Å; Y20-Q227 HydrophobicContact CE1-CG 4.23Å; Y20-Q227 HydrophobicContact CE2-CB 3.92Å; Y20-Q227 HydrophobicContact CE2-CG 4.08Å; Y20-Q227 HydrophobicContact CG-CB 4.12Å; Y20-Q227 HydrophobicContact CG-CG 4Å; Y20-Q227 VanDerWaalsContact CZ-CB 3.46Å; W35-Q227 HydrophobicContact CZ2-CG 3.67Å; D91-Q227 PolarHBondContact OD2-NE2 3.01Å; I224-Q227 HydrophobicContact CG2-CB 4.11Å; I224-Q227 PolarHBondContact O-N 2.9Å; P225-Q227 PolarHBondContact O-N 3.42Å; P225-Q227 PolarHBondContact O-NE2 3.26Å; P225-Q227 PolarHBondContact O-OE1 2.9Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.03Å; Q227-W230 WeakPolarHBondContact O-CB 3.4Å; Q227-W230 PolarHBondContact O-N 3.48Å; Q227-V231 WeakPolarHBondContact O-CG2 3.39Å; Q227-V231 PolarHBondContact O-N 3.22Å |
| 228 | S | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.9 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | E22 A210 P222 I224 G226 W230 V231 Y232 | E22-S228 WeakPolarHBondContact OE1-CA 3.35Å; E22-S228 WeakPolarHBondContact OE1-CB 3.12Å; E22-S228 PolarHBondContact OE1-OG 3.25Å; A210-S228 WeakPolarHBondContact CB-O 3.32Å; P222-S228 WeakPolarHBondContact CA-OG 3.5Å; P222-S228 VanDerWaalsContact O-CB 3.22Å; P222-S228 WeakPolarHBondContact O-CB 3.47Å; I224-S228 WeakPolarHBondContact CB-OG 3.48Å; I224-S228 PolarHBondContact N-OG 2.92Å; I224-S228 VanDerWaalsContact N-OG 3.09Å; I224-S228 PolarHBondContact O-N 3.43Å; I224-S228 VanDerWaalsContact O-N 3.12Å; G226-S228 PolarHBondContact O-N 3.41Å; S228-W230 VanDerWaalsContact C-N 3.34Å; S228-V231 PolarHBondContact O-N 2.94Å; S228-Y232 VanDerWaalsContact O-CD2 3.29Å; S228-Y232 WeakPolarHBondContact O-CD2 3.12Å; S228-Y232 PolarHBondContact O-N 3.49Å |
| 229 | H | 95.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.1 | -177.4 | 55.2 | 0 | 0 | 0 | 111.4 | R173 D208 A210 D212 G226 Q227 V231 D233 V234 | R173-H229 PolarHBondContact NH2-NE2 3.33Å; D208-H229 IonicContact OD1-CE1 2.82Å; D208-H229 PolarHBondContact OD1-CE1 3.19Å; D208-H229 IonicContact OD2-CE1 3.77Å; A210-H229 HydrophobicContact CB-CB 4.37Å; A210-H229 PolarHBondContact O-ND1 2.98Å; A210-H229 VanDerWaalsContact O-ND1 3.13Å; D212-H229 HydrophobicContact CB-CB 4.43Å; D212-H229 IonicContact OD1-CD2 2.68Å; D212-H229 PolarHBondContact OD1-CD2 3.06Å; D212-H229 VanDerWaalsContact OD1-CD2 3.29Å; D212-H229 IonicContact OD1-CG 3.11Å; G226-H229 WeakPolarHBondContact O-CB 3.26Å; G226-H229 PolarHBondContact O-N 3.45Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.03Å; H229-V231 PolarHBondContact O-N 3.38Å; H229-D233 WeakPolarHBondContact ND1-CB 3.23Å; H229-D233 IonicContact ND1-OD2 3.26Å; H229-D233 PolarHBondContact ND1-OD2 3.23Å; H229-D233 WeakPolarHBondContact O-CA 3.34Å; H229-D233 WeakPolarHBondContact O-CB 3.37Å; H229-D233 PolarHBondContact O-N 2.75Å; H229-V234 PolarHBondContact O-N 3.1Å; H229-V234 VanDerWaalsContact O-N 3.1Å |
| 230 | W | 94.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 21 Ų | 21 | 15% | 0.148 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -60.4 | -46.1 | 174.2 | -93.1 | 91.2 | 0 | 0 | 0 | 113.2 | L67 D91 G226 Q227 S228 V234 L235 | L67-W230 HydrophobicContact CD1-CB 3.81Å; L67-W230 HydrophobicContact CD1-CD2 3.84Å; L67-W230 HydrophobicContact CD1-CE3 3.62Å; L67-W230 HydrophobicContact CD1-CG 3.95Å; L67-W230 HydrophobicContact CD1-CZ3 4.46Å; L67-W230 HydrophobicContact CD2-CB 3.49Å; L67-W230 VanDerWaalsContact CD2-CB 3.49Å; L67-W230 HydrophobicContact CD2-CG 4.36Å; L67-W230 HydrophobicContact CG-CB 4.33Å; D91-W230 HydrophobicContact CB-CD2 4.08Å; D91-W230 HydrophobicContact CB-CG 4.06Å; D91-W230 HydrophobicContact CB-CZ2 4.41Å; D91-W230 WeakPolarHBondContact O-CH2 3.36Å; D91-W230 WeakPolarHBondContact O-CZ2 3.44Å; G226-W230 PolarHBondContact O-N 3.24Å; Q227-W230 WeakPolarHBondContact O-CB 3.4Å; Q227-W230 PolarHBondContact O-N 3.48Å; S228-W230 VanDerWaalsContact C-N 3.34Å; W230-V234 HydrophobicContact CD2-CB 3.93Å; W230-V234 HydrophobicContact CD2-CG1 3.97Å; W230-V234 HydrophobicContact CD2-CG2 4.18Å; W230-V234 HydrophobicContact CE3-CB 3.77Å; W230-V234 HydrophobicContact CE3-CG1 3.58Å; W230-V234 HydrophobicContact CG-CB 4.32Å; W230-V234 HydrophobicContact CG-CG2 4.26Å; W230-V234 HydrophobicContact CH2-CG1 3.82Å; W230-V234 HydrophobicContact CZ2-CG1 4.18Å; W230-V234 HydrophobicContact CZ3-CB 4.23Å; W230-V234 HydrophobicContact CZ3-CG1 3.5Å; W230-V234 PolarHBondContact O-N 3.09Å; W230-L235 HydrophobicContact CE3-CD2 4.45Å; W230-L235 HydrophobicContact CE3-CG 4.47Å; W230-L235 WeakPolarHBondContact O-CB 3.31Å; W230-L235 WeakPolarHBondContact O-CG 3.45Å; W230-L235 PolarHBondContact O-N 2.86Å |
| 231 | V | 94.7 | Very high | 94.2 | Very high | 34 Ų | 34 | 17.4 Ų | 17.4 | 21% | 0.206 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -62.7 | -47.5 | -179.1 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | Y20 E22 L67 Q227 S228 H229 | Y20-V231 HydrophobicContact CD1-CG2 3.87Å; Y20-V231 HydrophobicContact CE1-CG2 3.81Å; E22-V231 HydrophobicContact CG-CG2 4.45Å; L67-V231 HydrophobicContact CD2-CG2 3.89Å; Q227-V231 WeakPolarHBondContact O-CG2 3.39Å; Q227-V231 PolarHBondContact O-N 3.22Å; S228-V231 PolarHBondContact O-N 2.94Å; H229-V231 PolarHBondContact O-N 3.38Å |
| 232 | Y | 94.4 | Very high | 94.1 | Very high | 15 Ų | 15 | 21 Ų | 21 | 6% | 0.059 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -95 | -26.1 | -169.4 | -67.9 | -63.4 | 0 | 0 | 0 | 115.3 | E22 W31 W117 R209 A210 P222 S228 S236 R254 | E22-Y232 WeakPolarHBondContact OE2-CE2 3.36Å; E22-Y232 PolarHBondContact OE2-OH 2.75Å; E22-Y232 VanDerWaalsContact OE2-OH 3.06Å; W31-Y232 AromaticContact CZ2-CE2 3.83Å; W31-Y232 HydrophobicContact CZ2-CE2 3.83Å; W31-Y232 AromaticContact CZ2-CZ 3.59Å; W31-Y232 WeakPolarHBondContact CZ2-OH 3.31Å; W31-Y232 PolarHBondContact NE1-OH 3.15Å; W117-Y232 PolarHBondContact NE1-O 2.88Å; R209-Y232 HydrophobicContact CG-CG 4.44Å; A210-Y232 HydrophobicContact CB-CD2 4.39Å; P222-Y232 HydrophobicContact CB-CD2 4.1Å; P222-Y232 HydrophobicContact CB-CE2 4.03Å; S228-Y232 VanDerWaalsContact O-CD2 3.29Å; S228-Y232 WeakPolarHBondContact O-CD2 3.12Å; S228-Y232 PolarHBondContact O-N 3.49Å; Y232-S236 PolarHBondContact O-OG 3.16Å; Y232-R254 PolarHBondContact O-NH2 2.98Å |
| 233 | D | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -121.4 | -42.3 | -168.6 | -54 | -58 | 0 | 0 | 0 | 112 | R209 A210 H229 S236 F237 Y250 R254 | R209-D233 PolarHBondContact N-OD1 3.49Å; R209-D233 PolarHBondContact N-OD2 2.91Å; R209-D233 VanDerWaalsContact N-OD2 3.12Å; A210-D233 PolarHBondContact N-OD2 3.43Å; H229-D233 WeakPolarHBondContact ND1-CB 3.23Å; H229-D233 IonicContact ND1-OD2 3.26Å; H229-D233 PolarHBondContact ND1-OD2 3.23Å; H229-D233 WeakPolarHBondContact O-CA 3.34Å; H229-D233 WeakPolarHBondContact O-CB 3.37Å; H229-D233 PolarHBondContact O-N 2.75Å; D233-S236 WeakPolarHBondContact CA-OG 3.3Å; D233-S236 PolarHBondContact O-OG 3.03Å; D233-S236 VanDerWaalsContact O-OG 3.13Å; D233-F237 WeakPolarHBondContact O-CB 3.4Å; D233-F237 PolarHBondContact O-N 3.41Å; D233-Y250 VanDerWaalsContact O-CE2 3.32Å; D233-Y250 WeakPolarHBondContact O-CE2 3.48Å; D233-Y250 PolarHBondContact O-OH 3Å; D233-R254 IonicContact OD1-CZ 3.08Å; D233-R254 VanDerWaalsContact OD1-CZ 3.27Å; D233-R254 IonicContact OD1-NE 3.73Å; D233-R254 PolarHBondContact OD1-NE 3.01Å; D233-R254 IonicContact OD1-NH2 3.31Å; D233-R254 PolarHBondContact OD1-NH2 3.31Å |
| 234 | V | 93.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 23 Ų | 23 | 13% | 0.127 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -80.6 | -50.2 | -179.1 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | H229 W230 S236 F237 Y238 | H229-V234 PolarHBondContact O-N 3.1Å; H229-V234 VanDerWaalsContact O-N 3.1Å; W230-V234 HydrophobicContact CD2-CB 3.93Å; W230-V234 HydrophobicContact CD2-CG1 3.97Å; W230-V234 HydrophobicContact CD2-CG2 4.18Å; W230-V234 HydrophobicContact CE3-CB 3.77Å; W230-V234 HydrophobicContact CE3-CG1 3.58Å; W230-V234 HydrophobicContact CG-CB 4.32Å; W230-V234 HydrophobicContact CG-CG2 4.26Å; W230-V234 HydrophobicContact CH2-CG1 3.82Å; W230-V234 HydrophobicContact CZ2-CG1 4.18Å; W230-V234 HydrophobicContact CZ3-CB 4.23Å; W230-V234 HydrophobicContact CZ3-CG1 3.5Å; W230-V234 PolarHBondContact O-N 3.09Å; V234-S236 VanDerWaalsContact C-N 3.33Å; V234-S236 PolarHBondContact O-N 3.48Å; V234-F237 WeakPolarHBondContact O-CB 3.49Å; V234-F237 PolarHBondContact O-N 3.05Å; V234-Y238 HydrophobicContact CG1-CD1 4.17Å; V234-Y238 HydrophobicContact CG1-CE1 3.74Å; V234-Y238 WeakPolarHBondContact O-CD1 3.45Å; V234-Y238 PolarHBondContact O-N 2.94Å |
| 235 | L | 93.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 179.4 | -77.5 | -176.4 | 0 | 0 | 0 | 111.9 | E66 L67 A93 W230 F237 Y238 Y239 | E66-L235 HydrophobicContact CB-CD1 4.33Å; L67-L235 HydrophobicContact CB-CD1 4.06Å; A93-L235 HydrophobicContact CB-CD2 3.54Å; W230-L235 HydrophobicContact CE3-CD2 4.45Å; W230-L235 HydrophobicContact CE3-CG 4.47Å; W230-L235 WeakPolarHBondContact O-CB 3.31Å; W230-L235 WeakPolarHBondContact O-CG 3.45Å; W230-L235 PolarHBondContact O-N 2.86Å; L235-F237 VanDerWaalsContact C-N 3.32Å; L235-F237 PolarHBondContact O-N 3.19Å; L235-Y238 WeakPolarHBondContact O-CB 3.43Å; L235-Y238 PolarHBondContact O-N 3.24Å; L235-Y238 VanDerWaalsContact O-N 3.09Å; L235-Y239 HydrophobicContact CB-CE2 3.95Å; L235-Y239 WeakPolarHBondContact O-CD2 3.2Å; L235-Y239 PolarHBondContact O-N 2.49Å |
| 236 | S | 94.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 175.4 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | Y232 D233 V234 Y238 Y239 C240 Y250 | Y232-S236 PolarHBondContact O-OG 3.16Å; D233-S236 WeakPolarHBondContact CA-OG 3.3Å; D233-S236 PolarHBondContact O-OG 3.03Å; D233-S236 VanDerWaalsContact O-OG 3.13Å; V234-S236 VanDerWaalsContact C-N 3.33Å; V234-S236 PolarHBondContact O-N 3.48Å; S236-Y238 VanDerWaalsContact C-N 3.34Å; S236-Y239 PolarHBondContact O-N 3.21Å; S236-C240 VanDerWaalsContact O-CB 3.27Å; S236-C240 WeakPolarHBondContact O-CB 3.31Å; S236-C240 PolarHBondContact O-N 2.91Å; S236-C240 PolarHBondContact O-SG 3.41Å; S236-Y250 WeakPolarHBondContact OG-CE2 3.01Å |
| 237 | F | 94.1 | Very high | 94 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 169.9 | -172.5 | -95.1 | 0 | 0 | 0 | 111.8 | Y164 D233 V234 L235 C241 L242 Y250 | Y164-F237 HydrophobicContact CD1-CD1 4.29Å; Y164-F237 AromaticContact CD1-CE1 3.99Å; Y164-F237 HydrophobicContact CD1-CE1 3.99Å; D233-F237 WeakPolarHBondContact O-CB 3.4Å; D233-F237 PolarHBondContact O-N 3.41Å; V234-F237 WeakPolarHBondContact O-CB 3.49Å; V234-F237 PolarHBondContact O-N 3.05Å; L235-F237 VanDerWaalsContact C-N 3.32Å; L235-F237 PolarHBondContact O-N 3.19Å; F237-C241 HydrophobicContact CD1-CB 4.2Å; F237-C241 HydrophobicContact CD2-CB 3.87Å; F237-C241 HydrophobicContact CE1-CB 4.05Å; F237-C241 HydrophobicContact CE2-CB 3.72Å; F237-C241 WeakPolarHBondContact CE2-SG 3.03Å; F237-C241 HydrophobicContact CG-CB 4.12Å; F237-C241 HydrophobicContact CZ-CB 3.81Å; F237-C241 WeakPolarHBondContact O-CA 3.45Å; F237-C241 WeakPolarHBondContact O-CB 3.34Å; F237-C241 PolarHBondContact O-N 3.3Å; F237-L242 HydrophobicContact CD1-CD1 4.08Å; F237-L242 HydrophobicContact CD1-CD2 4.49Å; F237-L242 HydrophobicContact CD1-CG 3.93Å; F237-L242 HydrophobicContact CE1-CD1 4.03Å; F237-L242 HydrophobicContact CE1-CD2 3.77Å; F237-L242 HydrophobicContact CE1-CG 3.71Å; F237-L242 PolarHBondContact O-N 2.73Å; F237-Y250 HydrophobicContact CB-CD2 4.3Å; F237-Y250 HydrophobicContact CB-CE2 3.95Å; F237-Y250 HydrophobicContact CD2-CD1 4.02Å; F237-Y250 AromaticContact CD2-CE1 3.91Å; F237-Y250 HydrophobicContact CD2-CE1 3.91Å; F237-Y250 HydrophobicContact CD2-CG 4.41Å |
| 238 | Y | 92.5 | Very high | 93.9 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -62.1 | -48.6 | 176.4 | -79.2 | 31.2 | 0 | 0 | 0 | 111.3 | A93 Y164 V234 L235 S236 L242 W243 | A93-Y238 HydrophobicContact CB-CD2 3.86Å; A93-Y238 HydrophobicContact CB-CE2 3.95Å; Y164-Y238 HydrophobicContact CD1-CE1 4.42Å; Y164-Y238 AromaticContact CE1-CE1 3.66Å; Y164-Y238 HydrophobicContact CE1-CE1 3.66Å; Y164-Y238 PolarHBondContact OH-OH 3.25Å; V234-Y238 HydrophobicContact CG1-CD1 4.17Å; V234-Y238 HydrophobicContact CG1-CE1 3.74Å; V234-Y238 WeakPolarHBondContact O-CD1 3.45Å; V234-Y238 PolarHBondContact O-N 2.94Å; L235-Y238 WeakPolarHBondContact O-CB 3.43Å; L235-Y238 PolarHBondContact O-N 3.24Å; L235-Y238 VanDerWaalsContact O-N 3.09Å; S236-Y238 VanDerWaalsContact C-N 3.34Å; Y238-L242 HydrophobicContact CD1-CD1 3.73Å; Y238-L242 HydrophobicContact CE1-CD1 3.92Å; Y238-L242 HydrophobicContact CG-CD1 4.28Å; Y238-L242 PolarHBondContact O-N 3.44Å; Y238-W243 AromaticContact CD2-CE2 3.91Å; Y238-W243 AromaticContact CD2-CH2 3.56Å; Y238-W243 HydrophobicContact CD2-CH2 3.56Å; Y238-W243 AromaticContact CD2-CZ2 3.3Å; Y238-W243 HydrophobicContact CD2-CZ2 3.3Å; Y238-W243 HydrophobicContact CD2-CZ3 4.35Å; Y238-W243 HydrophobicContact CE2-CH2 4.46Å; Y238-W243 HydrophobicContact CE2-CZ2 4.01Å; Y238-W243 HydrophobicContact CG-CH2 4.36Å; Y238-W243 HydrophobicContact CG-CZ2 4.14Å; Y238-W243 WeakPolarHBondContact O-CB 3.22Å; Y238-W243 PolarHBondContact O-N 3.07Å |
| 239 | Y | 93.5 | Very high | 93.9 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -62.7 | -52.4 | 179.7 | -57.4 | -31.5 | 0 | 0 | 0 | 111.9 | E66 W109 K113 L235 S236 W243 S244 | E66-Y239 WeakPolarHBondContact CB-OH 3.34Å; E66-Y239 PolarHBondContact OE2-OH 3.42Å; W109-Y239 HydrophobicContact CH2-CD1 4.14Å; W109-Y239 AromaticContact CH2-CE1 3.53Å; W109-Y239 HydrophobicContact CH2-CE1 3.53Å; W109-Y239 AromaticContact CZ3-CD1 3.92Å; W109-Y239 HydrophobicContact CZ3-CD1 3.92Å; W109-Y239 AromaticContact CZ3-CE1 3.75Å; W109-Y239 HydrophobicContact CZ3-CE1 3.75Å; K113-Y239 HydrophobicContact CB-CD1 4Å; K113-Y239 HydrophobicContact CB-CD2 3.7Å; K113-Y239 HydrophobicContact CB-CE1 4.39Å; K113-Y239 HydrophobicContact CB-CE2 4.11Å; K113-Y239 HydrophobicContact CB-CG 3.65Å; K113-Y239 HydrophobicContact CG-CD1 4.48Å; K113-Y239 HydrophobicContact CG-CE1 4.49Å; L235-Y239 HydrophobicContact CB-CE2 3.95Å; L235-Y239 WeakPolarHBondContact O-CD2 3.2Å; L235-Y239 PolarHBondContact O-N 2.49Å; S236-Y239 PolarHBondContact O-N 3.21Å; Y239-W243 AromaticContact CD1-CE3 3.86Å; Y239-W243 HydrophobicContact CD1-CE3 3.86Å; Y239-W243 AromaticContact CD1-CZ3 3.88Å; Y239-W243 HydrophobicContact CD1-CZ3 3.88Å; Y239-W243 HydrophobicContact CE1-CE3 4.21Å; Y239-W243 AromaticContact CE1-CZ3 3.75Å; Y239-W243 HydrophobicContact CE1-CZ3 3.75Å; Y239-S244 VanDerWaalsContact O-CB 3.24Å; Y239-S244 WeakPolarHBondContact O-CB 3.11Å; Y239-S244 PolarHBondContact O-N 2.89Å; Y239-S244 PolarHBondContact O-OG 2.92Å |
| 240 | C | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -79.9 | -44.1 | -172.9 | -65 | 0 | 0 | 0 | 0 | 112.8 | C114 S236 S244 N246 C247 | C114-C240 VanDerWaalsContact CA-SG 3.55Å; C114-C240 HydrophobicContact CB-CB 4Å; C114-C240 WeakPolarHBondContact CB-SG 3.01Å; C114-C240 WeakPolarHBondContact SG-CA 3.43Å; C114-C240 WeakPolarHBondContact SG-CB 3.18Å; C114-C240 CovalentContact SG-SG 2.04Å; C114-C240 PolarHBondContact SG-SG 3.28Å; S236-C240 VanDerWaalsContact O-CB 3.27Å; S236-C240 WeakPolarHBondContact O-CB 3.31Å; S236-C240 PolarHBondContact O-N 2.91Å; S236-C240 PolarHBondContact O-SG 3.41Å; C240-S244 PolarHBondContact O-OG 2.81Å; C240-S244 VanDerWaalsContact O-OG 3.08Å; C240-N246 CarbonylContact O-C 3.56Å; C240-N246 VanDerWaalsContact O-CA 3.26Å; C240-N246 WeakPolarHBondContact O-CA 3.26Å; C240-N246 PolarHBondContact O-N 2.79Å; C240-C247 PolarHBondContact O-N 3.38Å; C240-C247 VanDerWaalsContact O-N 3.13Å |
| 241 | C | 93.7 | Very high | 94 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -94.3 | -54.6 | -172.8 | -81.5 | 0 | 0 | 0 | 0 | 113.5 | F237 D245 C247 | F237-C241 HydrophobicContact CD1-CB 4.2Å; F237-C241 HydrophobicContact CD2-CB 3.87Å; F237-C241 HydrophobicContact CE1-CB 4.05Å; F237-C241 HydrophobicContact CE2-CB 3.72Å; F237-C241 WeakPolarHBondContact CE2-SG 3.03Å; F237-C241 HydrophobicContact CG-CB 4.12Å; F237-C241 HydrophobicContact CZ-CB 3.81Å; F237-C241 WeakPolarHBondContact O-CA 3.45Å; F237-C241 WeakPolarHBondContact O-CB 3.34Å; F237-C241 PolarHBondContact O-N 3.3Å; C241-D245 PolarHBondContact O-N 2.86Å; C241-C247 WeakPolarHBondContact CA-SG 2.94Å; C241-C247 HydrophobicContact CB-CB 4.23Å; C241-C247 WeakPolarHBondContact CB-SG 3.23Å; C241-C247 WeakPolarHBondContact SG-CA 3.45Å; C241-C247 WeakPolarHBondContact SG-CB 3.36Å; C241-C247 CovalentContact SG-SG 2.03Å; C241-C247 PolarHBondContact SG-SG 2.87Å |
| 242 | L | 90.8 | Very high | 94 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 44% | 0.44 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -82.2 | -39.1 | -167.1 | -61.7 | -177.6 | 0 | 0 | 0 | 113.3 | Y164 F237 Y238 | Y164-L242 HydrophobicContact CD1-CD1 4.15Å; Y164-L242 HydrophobicContact CE1-CD1 3.99Å; F237-L242 HydrophobicContact CD1-CD1 4.08Å; F237-L242 HydrophobicContact CD1-CD2 4.49Å; F237-L242 HydrophobicContact CD1-CG 3.93Å; F237-L242 HydrophobicContact CE1-CD1 4.03Å; F237-L242 HydrophobicContact CE1-CD2 3.77Å; F237-L242 HydrophobicContact CE1-CG 3.71Å; F237-L242 PolarHBondContact O-N 2.73Å; Y238-L242 HydrophobicContact CD1-CD1 3.73Å; Y238-L242 HydrophobicContact CE1-CD1 3.92Å; Y238-L242 HydrophobicContact CG-CD1 4.28Å; Y238-L242 PolarHBondContact O-N 3.44Å |
| 243 | W | 91 | Very high | 94.1 | Very high | 66 Ų | 66 | 40 Ų | 40 | 25% | 0.25 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -102.2 | -25.9 | -170.1 | -61.1 | -18.3 | 0 | 0 | 0 | 114.1 | A93 A95 F102 A107 W109 A110 Y238 Y239 | A93-W243 HydrophobicContact CB-CH2 3.76Å; A93-W243 HydrophobicContact CB-CZ2 4.42Å; A95-W243 HydrophobicContact CB-CH2 3.6Å; A95-W243 HydrophobicContact CB-CZ2 4.27Å; A95-W243 HydrophobicContact CB-CZ3 4.09Å; F102-W243 HydrophobicContact CE2-CD2 4.34Å; F102-W243 HydrophobicContact CE2-CE3 4.19Å; A107-W243 WeakPolarHBondContact CA-O 3.3Å; W109-W243 HydrophobicContact CH2-CZ3 4.46Å; W109-W243 AromaticContact CZ3-CE3 3.95Å; W109-W243 HydrophobicContact CZ3-CE3 3.95Å; W109-W243 AromaticContact CZ3-CZ3 3.91Å; W109-W243 HydrophobicContact CZ3-CZ3 3.91Å; A110-W243 HydrophobicContact CB-CB 3.52Å; Y238-W243 AromaticContact CD2-CE2 3.91Å; Y238-W243 AromaticContact CD2-CH2 3.56Å; Y238-W243 HydrophobicContact CD2-CH2 3.56Å; Y238-W243 AromaticContact CD2-CZ2 3.3Å; Y238-W243 HydrophobicContact CD2-CZ2 3.3Å; Y238-W243 HydrophobicContact CD2-CZ3 4.35Å; Y238-W243 HydrophobicContact CE2-CH2 4.46Å; Y238-W243 HydrophobicContact CE2-CZ2 4.01Å; Y238-W243 HydrophobicContact CG-CH2 4.36Å; Y238-W243 HydrophobicContact CG-CZ2 4.14Å; Y238-W243 WeakPolarHBondContact O-CB 3.22Å; Y238-W243 PolarHBondContact O-N 3.07Å; Y239-W243 AromaticContact CD1-CE3 3.86Å; Y239-W243 HydrophobicContact CD1-CE3 3.86Å; Y239-W243 AromaticContact CD1-CZ3 3.88Å; Y239-W243 HydrophobicContact CD1-CZ3 3.88Å; Y239-W243 HydrophobicContact CE1-CE3 4.21Å; Y239-W243 AromaticContact CE1-CZ3 3.75Å; Y239-W243 HydrophobicContact CE1-CZ3 3.75Å |
| 244 | S | 93.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -12.9 | 176.7 | 70.1 | 0 | 0 | 0 | 0 | 115 | Y239 C240 N246 | Y239-S244 VanDerWaalsContact O-CB 3.24Å; Y239-S244 WeakPolarHBondContact O-CB 3.11Å; Y239-S244 PolarHBondContact O-N 2.89Å; Y239-S244 PolarHBondContact O-OG 2.92Å; C240-S244 PolarHBondContact O-OG 2.81Å; C240-S244 VanDerWaalsContact O-OG 3.08Å; S244-N246 VanDerWaalsContact C-N 3.27Å; S244-N246 PolarHBondContact O-N 3.32Å; S244-N246 PolarHBondContact O-ND2 2.64Å |
| 245 | D | 93.2 | Very high | 94.1 | Very high | 142 Ų | 142 | 41.2 Ų | 41.2 | 76% | 0.759 | 20% | 0.195 | S | C | * | . | S | Bend | trans | 58.8 | 33.8 | -175.5 | -161.2 | 27.9 | 0 | 0 | 0 | 114.1 | C241 | C241-D245 PolarHBondContact O-N 2.86Š|
| 246 | N | 95.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 31% | 0.31 | 20% | 0.201 | S | C | . | . | trans | -118.2 | 43.8 | 178.9 | -74.6 | -91.4 | 0 | 0 | 0 | 112.2 | L111 C240 S244 Y248 Y249 | L111-N246 HydrophobicContact CD1-CB 4.19Å; C240-N246 CarbonylContact O-C 3.56Å; C240-N246 VanDerWaalsContact O-CA 3.26Å; C240-N246 WeakPolarHBondContact O-CA 3.26Å; C240-N246 PolarHBondContact O-N 2.79Å; S244-N246 VanDerWaalsContact C-N 3.27Å; S244-N246 PolarHBondContact O-N 3.32Å; S244-N246 PolarHBondContact O-ND2 2.64Å; N246-Y248 PolarHBondContact O-N 3.08Å; N246-Y249 HydrophobicContact CB-CD2 3.95Å; N246-Y249 HydrophobicContact CB-CE2 4.18Å; N246-Y249 PolarHBondContact O-N 3.27Å | ||
| 247 | C | 93.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 43 Ų | 43 | 10% | 0.095 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -50.6 | -26.8 | -177.2 | -85.8 | 0 | 0 | 0 | 0 | 115.7 | I202 C240 C241 Y249 Y250 F251 | I202-C247 HydrophobicContact CG2-CB 4.3Å; C240-C247 PolarHBondContact O-N 3.38Å; C240-C247 VanDerWaalsContact O-N 3.13Å; C241-C247 WeakPolarHBondContact CA-SG 2.94Å; C241-C247 HydrophobicContact CB-CB 4.23Å; C241-C247 WeakPolarHBondContact CB-SG 3.23Å; C241-C247 WeakPolarHBondContact SG-CA 3.45Å; C241-C247 WeakPolarHBondContact SG-CB 3.36Å; C241-C247 CovalentContact SG-SG 2.03Å; C241-C247 PolarHBondContact SG-SG 2.87Å; C247-Y249 PolarHBondContact O-N 2.65Å; C247-Y250 WeakPolarHBondContact O-CA 3.46Å; C247-Y250 WeakPolarHBondContact O-CB 3.34Å; C247-Y250 PolarHBondContact O-N 2.69Å; C247-F251 HydrophobicContact CB-CD2 4.11Å; C247-F251 HydrophobicContact CB-CE2 3.66Å; C247-F251 HydrophobicContact CB-CZ 4.24Å; C247-F251 PolarHBondContact O-N 3.2Å |
| 248 | Y | 93.2 | Very high | 92.9 | Very high | 160 Ų | 160 | 44.2 Ų | 44.2 | 63% | 0.627 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -52.9 | -38.6 | 179.8 | 150.7 | -97.5 | 0 | 0 | 0 | 112.8 | N246 Y250 F251 K252 | N246-Y248 PolarHBondContact O-N 3.08Å; Y248-Y250 VanDerWaalsContact C-N 3.31Å; Y248-Y250 PolarHBondContact O-N 3.01Å; Y248-F251 PolarHBondContact O-N 3.18Å; Y248-K252 WeakPolarHBondContact O-CB 3.03Å; Y248-K252 PolarHBondContact O-N 2.89Å |
| 249 | Y | 95.9 | Very high | 93 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.7 | -68.8 | -73.1 | 0 | 0 | 0 | 111.7 | L111 C114 L115 W117 D118 N246 C247 K252 H253 | L111-Y249 HydrophobicContact CD1-CE2 4.42Å; C114-Y249 VanDerWaalsContact SG-CB 3.56Å; L115-Y249 HydrophobicContact CD2-CD1 4.39Å; L115-Y249 HydrophobicContact CD2-CD2 4.5Å; L115-Y249 HydrophobicContact CD2-CE1 3.77Å; L115-Y249 HydrophobicContact CD2-CE2 3.91Å; W117-Y249 WeakPolarHBondContact CZ3-O 3.34Å; D118-Y249 HydrophobicContact CB-CD1 4.13Å; N246-Y249 HydrophobicContact CB-CD2 3.95Å; N246-Y249 HydrophobicContact CB-CE2 4.18Å; N246-Y249 PolarHBondContact O-N 3.27Å; C247-Y249 PolarHBondContact O-N 2.65Å; Y249-K252 WeakPolarHBondContact O-CB 3.3Å; Y249-H253 PolarHBondContact O-CD2 3.33Å |
| 250 | Y | 96.3 | Very high | 93 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -51.5 | 176.6 | -174.6 | -93.7 | 0 | 0 | 0 | 111.1 | W117 T206 D233 S236 F237 C247 Y248 K252 H253 R254 | W117-Y250 AromaticContact CH2-CD2 3.8Å; W117-Y250 HydrophobicContact CH2-CD2 3.8Å; W117-Y250 HydrophobicContact CH2-CG 4.34Å; W117-Y250 HydrophobicContact CZ2-CD2 4.14Å; W117-Y250 HydrophobicContact CZ2-CE2 4.48Å; W117-Y250 HydrophobicContact CZ3-CD2 4.39Å; T206-Y250 HydrophobicContact CG2-CE1 3.95Å; D233-Y250 VanDerWaalsContact O-CE2 3.32Å; D233-Y250 WeakPolarHBondContact O-CE2 3.48Å; D233-Y250 PolarHBondContact O-OH 3Å; S236-Y250 WeakPolarHBondContact OG-CE2 3.01Å; F237-Y250 HydrophobicContact CB-CD2 4.3Å; F237-Y250 HydrophobicContact CB-CE2 3.95Å; F237-Y250 HydrophobicContact CD2-CD1 4.02Å; F237-Y250 AromaticContact CD2-CE1 3.91Å; F237-Y250 HydrophobicContact CD2-CE1 3.91Å; F237-Y250 HydrophobicContact CD2-CG 4.41Å; C247-Y250 WeakPolarHBondContact O-CA 3.46Å; C247-Y250 WeakPolarHBondContact O-CB 3.34Å; C247-Y250 PolarHBondContact O-N 2.69Å; Y248-Y250 VanDerWaalsContact C-N 3.31Å; Y248-Y250 PolarHBondContact O-N 3.01Å; Y250-K252 VanDerWaalsContact C-N 3.28Å; Y250-K252 PolarHBondContact O-N 3.48Å; Y250-H253 PolarHBondContact O-N 2.97Å; Y250-R254 HydrophobicContact CD1-CB 3.97Å; Y250-R254 HydrophobicContact CD1-CG 4.17Å; Y250-R254 HydrophobicContact CD2-CG 4.32Å; Y250-R254 HydrophobicContact CE1-CB 3.61Å; Y250-R254 HydrophobicContact CE1-CG 3.75Å; Y250-R254 HydrophobicContact CE2-CG 3.91Å; Y250-R254 HydrophobicContact CG-CG 4.44Å; Y250-R254 WeakPolarHBondContact O-CB 3.41Å; Y250-R254 PolarHBondContact O-N 3.23Å |
| 251 | F | 95.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.9 | -21.4 | -177.4 | -59.3 | -37 | 0 | 0 | 0 | 114.7 | T198 I202 T206 C247 Y248 H253 R254 P255 | T198-F251 VanDerWaalsContact CB-CD1 3.44Å; T198-F251 HydrophobicContact CG2-CD1 3.35Å; T198-F251 HydrophobicContact CG2-CE1 3.51Å; T198-F251 HydrophobicContact CG2-CG 4.06Å; T198-F251 HydrophobicContact CG2-CZ 4.29Å; I202-F251 HydrophobicContact CB-CE2 4.32Å; I202-F251 HydrophobicContact CB-CZ 4.19Å; I202-F251 HydrophobicContact CG2-CE2 4.19Å; I202-F251 WeakPolarHBondContact O-CZ 3.25Å; T206-F251 HydrophobicContact CG2-CE1 4.48Å; C247-F251 HydrophobicContact CB-CD2 4.11Å; C247-F251 HydrophobicContact CB-CE2 3.66Å; C247-F251 HydrophobicContact CB-CZ 4.24Å; C247-F251 PolarHBondContact O-N 3.2Å; Y248-F251 PolarHBondContact O-N 3.18Å; F251-H253 PolarHBondContact O-N 2.85Å; F251-R254 CarbonylContact O-C 3.54Å; F251-R254 PolarHBondContact O-N 2.8Å; F251-P255 WeakPolarHBondContact O-CA 3.36Å |
| 252 | K | 94.7 | Very high | 93 | Very high | 87 Ų | 87 | 59 Ų | 59 | 38% | 0.378 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.1 | -40.5 | 168.3 | 176.5 | -171 | 162.6 | -156 | 0 | 111.5 | D118 N122 Y248 Y249 Y250 | D118-K252 IonicContact OD1-NZ 2.65Å; D118-K252 PolarHBondContact OD1-NZ 3Å; D118-K252 IonicContact OD2-NZ 3.8Å; N122-K252 PolarHBondContact OD1-NZ 3.36Å; Y248-K252 WeakPolarHBondContact O-CB 3.03Å; Y248-K252 PolarHBondContact O-N 2.89Å; Y249-K252 WeakPolarHBondContact O-CB 3.3Å; Y250-K252 VanDerWaalsContact C-N 3.28Å; Y250-K252 PolarHBondContact O-N 3.48Å |
| 253 | H | 96.1 | Very high | 93.2 | Very high | 22 Ų | 22 | 60 Ų | 60 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -100 | -12.7 | -179.2 | -61.2 | -64.6 | 0 | 0 | 0 | 114.1 | W117 D118 E121 N122 Y249 Y250 F251 | W117-H253 HydrophobicContact CH2-CB 3.87Å; W117-H253 AromaticContact CH2-CD2 3.76Å; W117-H253 HydrophobicContact CZ2-CB 4.33Å; W117-H253 AromaticContact CZ3-CD2 3.77Å; D118-H253 PolarHBondContact O-NE2 2.92Å; D118-H253 IonicContact OD1-CD2 2.65Å; D118-H253 PolarHBondContact OD1-CD2 3.29Å; D118-H253 IonicContact OD1-CE1 2.98Å; D118-H253 IonicContact OD1-NE2 2.87Å; D118-H253 PolarHBondContact OD1-NE2 2.93Å; E121-H253 HydrophobicContact CB-CB 4.39Å; E121-H253 VanDerWaalsContact CB-CE1 3.48Å; E121-H253 WeakPolarHBondContact CB-CE1 3.42Å; E121-H253 WeakPolarHBondContact CB-NE2 3.39Å; E121-H253 HydrophobicContact CG-CB 4.37Å; N122-H253 PolarHBondContact OD1-CE1 2.86Å; Y249-H253 PolarHBondContact O-CD2 3.33Å; Y250-H253 PolarHBondContact O-N 2.97Å; F251-H253 PolarHBondContact O-N 2.85Å |
| 254 | R | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -124.9 | 53.2 | 179.8 | -55.7 | -73.8 | 179.8 | -70.5 | -7.6 | 111.2 | E121 T206 P207 R209 Y232 D233 Y250 F251 | E121-R254 IonicContact OE1-CZ 3.94Å; E121-R254 IonicContact OE1-NH1 3.12Å; E121-R254 IonicContact OE1-NH2 3.8Å; E121-R254 PolarHBondContact OE1-NH2 2.64Å; E121-R254 IonicContact OE2-CZ 3.26Å; E121-R254 IonicContact OE2-NH1 3.86Å; E121-R254 PolarHBondContact OE2-NH1 3.4Å; E121-R254 IonicContact OE2-NH2 3.18Å; T206-R254 HydrophobicContact CG2-CB 4.44Å; P207-R254 WeakPolarHBondContact O-CD 3.48Å; R209-R254 VanDerWaalsContact CB-NH2 3.32Å; Y232-R254 PolarHBondContact O-NH2 2.98Å; D233-R254 IonicContact OD1-CZ 3.08Å; D233-R254 VanDerWaalsContact OD1-CZ 3.27Å; D233-R254 IonicContact OD1-NE 3.73Å; D233-R254 PolarHBondContact OD1-NE 3.01Å; D233-R254 IonicContact OD1-NH2 3.31Å; D233-R254 PolarHBondContact OD1-NH2 3.31Å; Y250-R254 HydrophobicContact CD1-CB 3.97Å; Y250-R254 HydrophobicContact CD1-CG 4.17Å; Y250-R254 HydrophobicContact CD2-CG 4.32Å; Y250-R254 HydrophobicContact CE1-CB 3.61Å; Y250-R254 HydrophobicContact CE1-CG 3.75Å; Y250-R254 HydrophobicContact CE2-CG 3.91Å; Y250-R254 HydrophobicContact CG-CG 4.44Å; Y250-R254 WeakPolarHBondContact O-CB 3.41Å; Y250-R254 PolarHBondContact O-N 3.23Å; F251-R254 CarbonylContact O-C 3.54Å; F251-R254 PolarHBondContact O-N 2.8Å |
| 255 | P | 94.8 | Very high | 93.6 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 139 | -178.5 | 31.4 | -35.7 | 0 | 0 | 0 | 110.6 | L128 P207 F251 | L128-P255 HydrophobicContact CD1-CG 3.75Å; P207-P255 WeakPolarHBondContact CD-O 3.05Å; P207-P255 WeakPolarHBondContact CG-O 3.37Å; F251-P255 WeakPolarHBondContact O-CA 3.36Å |
| 256 | S | 93.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 52 Ų | 52 | 16% | 0.161 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 141 | 173.1 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | L197 T198 S205 D258 | L197-S256 WeakPolarHBondContact CA-OG 3.4Å; T198-S256 WeakPolarHBondContact CG2-OG 3.37Å; T198-S256 PolarHBondContact N-OG 3.12Å; T198-S256 PolarHBondContact OG1-N 2.87Å; T198-S256 VanDerWaalsContact OG1-N 3.09Å; T198-S256 PolarHBondContact OG1-OG 2.04Å; S205-S256 VanDerWaalsContact O-CA 3.3Å; S205-S256 WeakPolarHBondContact O-CA 3.36Å; S205-S256 VanDerWaalsContact O-CB 3.3Å; S205-S256 WeakPolarHBondContact O-CB 3.34Å; S205-S256 PolarHBondContact O-OG 2.85Å; S256-D258 PolarHBondContact O-N 2.8Å |
| 257 | S | 85.4 | Confident | 94 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 123.8 | 162.5 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | N133 Q195 | N133-S257 PolarHBondContact OD1-OG 2.96Å; Q195-S257 PolarHBondContact NE2-O 2.86Å; Q195-S257 PolarHBondContact OE1-O 3.28Å |
| 258 | D | 78.2 | Confident | 94.3 | Very high | 44 Ų | 44 | 49 Ų | 49 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 136.9 | 162 | 69.9 | 62.7 | 0 | 0 | 0 | 109.2 | S256 R260 | S256-D258 PolarHBondContact O-N 2.8Å; D258-R260 PolarHBondContact O-N 2.85Å; D258-R260 VanDerWaalsContact OD1-CB 3.31Å; D258-R260 WeakPolarHBondContact OD1-CB 3.35Å; D258-R260 WeakPolarHBondContact OD1-CG 3.47Å; D258-R260 IonicContact OD1-CZ 2.88Å; D258-R260 PolarHBondContact OD1-N 3.13Å; D258-R260 IonicContact OD1-NE 2.91Å; D258-R260 PolarHBondContact OD1-NE 3.26Å; D258-R260 IonicContact OD1-NH2 4Å; D258-R260 IonicContact OD2-CZ 3.23Å; D258-R260 VanDerWaalsContact OD2-CZ 3.31Å; D258-R260 IonicContact OD2-NE 2.71Å; D258-R260 PolarHBondContact OD2-NE 3.32Å; D258-R260 IonicContact OD2-NH2 3.71Å; D258-R260 PolarHBondContact OD2-NH2 2.93Å |
| 259 | C | 93.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -74.1 | 7.9 | -171.1 | 77.5 | 0 | 0 | 0 | 0 | 114 | C134 C136 R261 Y262 | C134-C259 VanDerWaalsContact O-CB 3.25Å; C134-C259 WeakPolarHBondContact O-CB 3.48Å; C136-C259 WeakPolarHBondContact CA-SG 3.35Å; C136-C259 HydrophobicContact CB-CB 3.77Å; C136-C259 WeakPolarHBondContact CB-SG 3.47Å; C136-C259 WeakPolarHBondContact SG-CB 3.29Å; C136-C259 PolarHBondContact SG-O 3.11Å; C136-C259 VanDerWaalsContact SG-O 3.34Å; C136-C259 CovalentContact SG-SG 2.04Å; C136-C259 PolarHBondContact SG-SG 2.93Å; C259-R261 PolarHBondContact O-N 3.12Å; C259-R261 VanDerWaalsContact O-N 3.08Å; C259-Y262 WeakPolarHBondContact O-CB 3.29Å; C259-Y262 PolarHBondContact O-N 3.16Å |
| 260 | R | 93.3 | Very high | 94.7 | Very high | 140 Ų | 140 | 38.7 Ų | 38.7 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -62.2 | -22.9 | -172.5 | -67.5 | -177.7 | -73.7 | -172.7 | 0.4 | 113.8 | D258 | D258-R260 PolarHBondContact O-N 2.85Å; D258-R260 VanDerWaalsContact OD1-CB 3.31Å; D258-R260 WeakPolarHBondContact OD1-CB 3.35Å; D258-R260 WeakPolarHBondContact OD1-CG 3.47Å; D258-R260 IonicContact OD1-CZ 2.88Å; D258-R260 PolarHBondContact OD1-N 3.13Å; D258-R260 IonicContact OD1-NE 2.91Å; D258-R260 PolarHBondContact OD1-NE 3.26Å; D258-R260 IonicContact OD1-NH2 4Å; D258-R260 IonicContact OD2-CZ 3.23Å; D258-R260 VanDerWaalsContact OD2-CZ 3.31Å; D258-R260 IonicContact OD2-NE 2.71Å; D258-R260 PolarHBondContact OD2-NE 3.32Å; D258-R260 IonicContact OD2-NH2 3.71Å; D258-R260 PolarHBondContact OD2-NH2 2.93Å |
| 261 | R | 93.2 | Very high | 94.7 | Very high | 193 Ų | 193 | 38.4 Ų | 38.4 | 73% | 0.728 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -104.1 | -0.2 | 179.5 | -64.9 | -177.4 | 178.6 | -177.6 | 0.4 | 113.1 | N133 C259 | N133-R261 WeakPolarHBondContact ND2-CB 3.31Å; N133-R261 PolarHBondContact ND2-O 2.88Å; C259-R261 PolarHBondContact O-N 3.12Å; C259-R261 VanDerWaalsContact O-N 3.08Å |
| 262 | Y | 95.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 9% | 0.09 | 18% | 0.176 | C | C | . | . | trans | -67.2 | 135.9 | 172.6 | 175.4 | -102.1 | 0 | 0 | 0 | 110 | C134 P135 Q140 D144 F148 C259 | C134-Y262 VanDerWaalsContact O-CB 3.28Å; C134-Y262 WeakPolarHBondContact O-CB 3.37Å; P135-Y262 HydrophobicContact CB-CD1 4.36Å; P135-Y262 HydrophobicContact CB-CD2 4.39Å; P135-Y262 HydrophobicContact CB-CE1 3.96Å; P135-Y262 HydrophobicContact CB-CE2 4Å; P135-Y262 HydrophobicContact CG-CD2 4.21Å; P135-Y262 HydrophobicContact CG-CE1 4.49Å; P135-Y262 HydrophobicContact CG-CE2 3.65Å; Q140-Y262 HydrophobicContact CB-CE1 4.23Å; Q140-Y262 HydrophobicContact CG-CE1 4.46Å; D144-Y262 WeakPolarHBondContact OD2-CE2 3.44Å; D144-Y262 PolarHBondContact OD2-OH 3.34Å; F148-Y262 HydrophobicContact CE2-CE2 4.12Å; C259-Y262 WeakPolarHBondContact O-CB 3.29Å; C259-Y262 PolarHBondContact O-N 3.16Å | ||
| 263 | Q | 96.1 | Very high | 94.2 | Very high | 104 Ų | 104 | 33.2 Ų | 33.2 | 49% | 0.486 | 16% | 0.159 | S | C | . | . | trans | -126 | 121 | 174.8 | -65 | 178.1 | 2.7 | 0 | 0 | 107.2 | R147 E405 | R147-Q263 PolarHBondContact NH1-O 3.04Å; R147-Q263 PolarHBondContact NH2-O 3.01Å; Q263-E405 VanDerWaalsContact OE1-CB 3.24Å | ||
| 264 | S | 96.2 | Very high | 94.1 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 12% | 0.119 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 145.4 | 177.6 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | L540 | S264-L540 WeakPolarHBondContact CB-O 3Å; S264-L540 PolarHBondContact OG-O 2.87Å |
| 265 | P | 97.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 156.1 | 168.6 | 31.3 | -37.3 | 0 | 0 | 0 | 111.2 | D144 L402 L403 L540 | D144-P265 HydrophobicContact CB-CG 4.3Å; P265-L402 HydrophobicContact CB-CB 4.41Å; P265-L402 HydrophobicContact CB-CD2 4.47Å; P265-L402 HydrophobicContact CG-CD2 4.14Å; P265-L403 CarbonylContact C-O 3.39Å; P265-L403 VanDerWaalsContact CA-O 3.23Å; P265-L403 WeakPolarHBondContact CA-O 3.43Å; P265-L403 WeakPolarHBondContact CB-O 3.22Å; P265-L540 HydrophobicContact CG-CD1 4.2Å; P265-L540 HydrophobicContact CG-CD2 3.85Å |
| 266 | S | 98.1 | Very high | 94.3 | Very high | 30 Ų | 30 | 30 Ų | 30 | 21% | 0.21 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 147.8 | 163.4 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | L402 L403 | S266-L402 WeakPolarHBondContact O-CA 3.28Å; S266-L403 PolarHBondContact N-O 3.04Å; S266-L403 PolarHBondContact O-N 3.49Å |
| 267 | S | 98.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.3 | 179.9 | 74.8 | 0 | 0 | 0 | 0 | 111.3 | V401 H533 V537 | S267-V401 CarbonylContact C-O 3.57Å; S267-V401 VanDerWaalsContact CA-O 3.31Å; S267-V401 WeakPolarHBondContact CA-O 3.17Å; S267-H533 PolarHBondContact OG-CE1 2.8Å; S267-H533 VanDerWaalsContact OG-CE1 3.31Å; S267-V537 VanDerWaalsContact OG-CG2 3.28Å; S267-V537 WeakPolarHBondContact OG-CG2 3.48Å |
| 268 | A | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I277 F279 T400 V401 L415 | A268-I277 CarbonylContact C-O 3.52Å; A268-I277 VanDerWaalsContact CA-O 3.3Å; A268-I277 WeakPolarHBondContact CA-O 3.41Å; A268-I277 WeakPolarHBondContact CB-O 2.86Å; A268-F279 HydrophobicContact CB-CD1 3.53Å; A268-F279 HydrophobicContact CB-CD2 4.04Å; A268-F279 HydrophobicContact CB-CE1 3.5Å; A268-F279 HydrophobicContact CB-CE2 4.01Å; A268-F279 HydrophobicContact CB-CG 3.79Å; A268-F279 HydrophobicContact CB-CZ 3.74Å; A268-T400 CarbonylContact O-C 3.45Å; A268-T400 WeakPolarHBondContact O-CA 3.24Å; A268-V401 PolarHBondContact N-O 3.37Å; A268-V401 PolarHBondContact O-N 3.48Å; A268-L415 HydrophobicContact CB-CB 3.94Å; A268-L415 HydrophobicContact CB-CD1 4.06Å; A268-L415 HydrophobicContact CB-CD2 3.97Å; A268-L415 HydrophobicContact CB-CG 4.19Å |
| 269 | V | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.1 | -172 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | F271 F276 I277 T398 T399 H533 | V269-F271 HydrophobicContact CG1-CD1 3.82Å; V269-F271 HydrophobicContact CG1-CE1 4.03Å; V269-F271 HydrophobicContact CG2-CB 4.35Å; V269-F271 HydrophobicContact CG2-CD1 4.09Å; V269-F276 CarbonylContact O-C 3.56Å; V269-F276 WeakPolarHBondContact O-CA 3.04Å; V269-I277 HydrophobicContact CG1-CB 3.87Å; V269-I277 HydrophobicContact CG1-CD1 4.04Å; V269-I277 HydrophobicContact CG1-CG1 4.18Å; V269-I277 PolarHBondContact N-O 3.24Å; V269-I277 PolarHBondContact O-N 3.38Å; V269-T398 HydrophobicContact CG2-CG2 3.75Å; V269-T399 CarbonylContact C-O 3.58Å; V269-T399 WeakPolarHBondContact CA-O 3.4Å; V269-H533 HydrophobicContact CB-CB 4.43Å; V269-H533 HydrophobicContact CG1-CB 3.9Å; V269-H533 WeakPolarHBondContact CG1-ND1 3.42Å |
| 270 | V | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.4 | 164.6 | -169.1 | 0 | 0 | 0 | 0 | 108.4 | P274 H275 F276 L294 L323 T398 T399 L415 | V270-P274 HydrophobicContact CG1-CB 3.57Å; V270-H275 CarbonylContact C-O 3.6Å; V270-H275 VanDerWaalsContact CA-O 3.3Å; V270-H275 WeakPolarHBondContact CA-O 3.12Å; V270-F276 HydrophobicContact CB-CD1 4.41Å; V270-F276 HydrophobicContact CB-CE1 4.26Å; V270-F276 HydrophobicContact CG1-CD1 4.23Å; V270-F276 HydrophobicContact CG1-CE1 3.8Å; V270-F276 HydrophobicContact CG1-CE2 4.27Å; V270-F276 HydrophobicContact CG1-CZ 3.81Å; V270-F276 HydrophobicContact CG2-CD1 3.61Å; V270-F276 HydrophobicContact CG2-CE1 3.48Å; V270-F276 VanDerWaalsContact CG2-CE1 3.48Å; V270-F276 HydrophobicContact CG2-CZ 4.33Å; V270-L294 HydrophobicContact CG2-CD1 4.16Å; V270-L294 HydrophobicContact CG2-CD2 4.1Å; V270-L323 HydrophobicContact CG1-CD2 4.47Å; V270-T398 CarbonylContact O-C 3.6Å; V270-T398 WeakPolarHBondContact O-CA 3.35Å; V270-T399 PolarHBondContact N-O 2.88Å; V270-T399 PolarHBondContact O-N 3.33Å; V270-L415 HydrophobicContact CG2-CD2 3.9Å |
| 271 | F | 97.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 163.7 | -174.7 | 64.3 | -76.2 | 0 | 0 | 0 | 111.5 | V269 P274 H275 I277 T398 F509 T526 F530 | V269-F271 HydrophobicContact CG1-CD1 3.82Å; V269-F271 HydrophobicContact CG1-CE1 4.03Å; V269-F271 HydrophobicContact CG2-CB 4.35Å; V269-F271 HydrophobicContact CG2-CD1 4.09Å; F271-P274 CarbonylContact O-C 3.55Å; F271-P274 WeakPolarHBondContact O-CA 3.17Å; F271-H275 HydrophobicContact CD1-CB 4.27Å; F271-H275 HydrophobicContact CD2-CB 4.43Å; F271-H275 HydrophobicContact CE1-CB 3.8Å; F271-H275 HydrophobicContact CE2-CB 3.98Å; F271-H275 AromaticContact CE2-CD2 3.9Å; F271-H275 HydrophobicContact CZ-CB 3.63Å; F271-H275 PolarHBondContact N-O 3.47Å; F271-H275 PolarHBondContact O-N 3.07Å; F271-I277 HydrophobicContact CE1-CD1 3.94Å; F271-I277 HydrophobicContact CE1-CG1 4.01Å; F271-I277 HydrophobicContact CZ-CD1 4.27Å; F271-T398 HydrophobicContact CB-CG2 3.92Å; F271-F509 HydrophobicContact CE2-CB 4.27Å; F271-F509 HydrophobicContact CE2-CD2 4.13Å; F271-F509 HydrophobicContact CE2-CG 4.27Å; F271-F509 AromaticContact CZ-CD2 3.89Å; F271-F509 HydrophobicContact CZ-CD2 3.89Å; F271-F509 HydrophobicContact CZ-CE2 4.16Å; F271-F509 HydrophobicContact CZ-CG 4.27Å; F271-T526 HydrophobicContact CD2-CG2 3.82Å; F271-T526 HydrophobicContact CE2-CG2 3.89Å; F271-F530 HydrophobicContact CE2-CB 3.95Å; F271-F530 HydrophobicContact CE2-CD2 4.24Å; F271-F530 HydrophobicContact CZ-CB 4.41Å; F271-F530 AromaticContact CZ-CD2 3.91Å; F271-F530 HydrophobicContact CZ-CD2 3.91Å |
| 272 | G | 92.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -135.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | D513 T526 | G272-D513 WeakPolarHBondContact CA-OD2 3.14Å; G272-T526 WeakPolarHBondContact CA-OG1 3.34Å |
| 273 | D | 87 | Confident | 96.8 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.011 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 81.6 | -173.9 | 71.1 | 1.4 | 0 | 0 | 0 | 115 | H275 N287 T321 Y512 D513 | D273-H275 IonicContact OD1-CE1 2.78Å; D273-H275 PolarHBondContact OD1-CE1 3.34Å; D273-H275 VanDerWaalsContact OD1-CE1 3.26Å; D273-H275 IonicContact OD1-NE2 3.52Å; D273-N287 PolarHBondContact O-ND2 2.93Å; D273-N287 PolarHBondContact O-OD1 2.79Å; D273-T321 CarbonylContact C-O 3.57Å; D273-T321 WeakPolarHBondContact CA-O 3.36Å; D273-T321 WeakPolarHBondContact CB-O 3.4Å; D273-Y512 VanDerWaalsContact OD1-CD1 3.3Å; D273-Y512 WeakPolarHBondContact OD1-CD1 3.36Å; D273-Y512 VanDerWaalsContact OD1-CE1 3.23Å; D273-Y512 WeakPolarHBondContact OD1-CE1 3.42Å; D273-Y512 WeakPolarHBondContact OD2-CD1 3.12Å; D273-Y512 WeakPolarHBondContact OD2-CE1 3.29Å; D273-D513 PolarHBondContact N-OD2 3.48Å |
| 274 | P | 93.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | -54.3 | 128.8 | -90.4 | 7.1 | 11.1 | 0 | 0 | 0 | 114.5 | V270 F271 F276 F286 T308 T321 | V270-P274 HydrophobicContact CG1-CB 3.57Å; F271-P274 CarbonylContact O-C 3.55Å; F271-P274 WeakPolarHBondContact O-CA 3.17Å; P274-F276 HydrophobicContact CB-CE2 3.76Å; P274-F276 HydrophobicContact CB-CZ 4.11Å; P274-F276 HydrophobicContact CG-CE2 4.44Å; P274-F276 WeakPolarHBondContact O-CE2 3.34Å; P274-F286 WeakPolarHBondContact CD-O 3.46Å; P274-F286 PolarHBondContact O-N 2.83Å; P274-T308 HydrophobicContact CG-CG2 3.62Å; P274-T321 WeakPolarHBondContact CD-O 3.25Å; P274-T321 WeakPolarHBondContact CD-OG1 3.3Å | |
| 275 | H | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 153.9 | 159.2 | -49.2 | -54.3 | 0 | 0 | 0 | 110.6 | V270 F271 D273 Y284 S285 F509 D513 | V270-H275 CarbonylContact C-O 3.6Å; V270-H275 VanDerWaalsContact CA-O 3.3Å; V270-H275 WeakPolarHBondContact CA-O 3.12Å; F271-H275 HydrophobicContact CD1-CB 4.27Å; F271-H275 HydrophobicContact CD2-CB 4.43Å; F271-H275 HydrophobicContact CE1-CB 3.8Å; F271-H275 HydrophobicContact CE2-CB 3.98Å; F271-H275 AromaticContact CE2-CD2 3.9Å; F271-H275 HydrophobicContact CZ-CB 3.63Å; F271-H275 PolarHBondContact N-O 3.47Å; F271-H275 PolarHBondContact O-N 3.07Å; D273-H275 IonicContact OD1-CE1 2.78Å; D273-H275 PolarHBondContact OD1-CE1 3.34Å; D273-H275 VanDerWaalsContact OD1-CE1 3.26Å; D273-H275 IonicContact OD1-NE2 3.52Å; H275-Y284 WeakPolarHBondContact CA-O 3.45Å; H275-S285 PolarHBondContact ND1-OG 2.89Å; H275-F509 HydrophobicContact CB-CD1 3.98Å; H275-F509 HydrophobicContact CB-CE1 4.2Å; H275-F509 HydrophobicContact CB-CG 4.44Å; H275-F509 VanDerWaalsContact CD2-CB 3.47Å; H275-F509 WeakPolarHBondContact CD2-CB 3.42Å; H275-F509 AromaticContact CD2-CD1 3.68Å; H275-F509 AromaticContact CD2-CG 3.78Å; H275-F509 AromaticContact CE1-CD1 3.72Å; H275-F509 AromaticContact CG-CD1 3.42Å; H275-F509 VanDerWaalsContact CG-CD1 3.42Å; H275-F509 AromaticContact CG-CG 3.93Å; H275-F509 AromaticContact ND1-CD1 3.45Å; H275-F509 WeakPolarHBondContact ND1-CD1 3.38Å; H275-F509 WeakPolarHBondContact NE2-CB 3.41Å; H275-F509 AromaticContact NE2-CD1 3.78Å; H275-F509 AromaticContact NE2-CG 4Å; H275-D513 IonicContact CD2-OD1 2.92Å; H275-D513 IonicContact CE1-OD1 2.73Å; H275-D513 IonicContact NE2-OD1 3.44Å; H275-D513 PolarHBondContact NE2-OD1 3.31Å; H275-D513 IonicContact NE2-OD2 2.67Å |
| 276 | F | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.3 | -175.3 | -65.3 | -103.5 | 0 | 0 | 0 | 109.9 | V269 V270 P274 S283 Y284 F286 L294 L414 L415 | V269-F276 CarbonylContact O-C 3.56Å; V269-F276 WeakPolarHBondContact O-CA 3.04Å; V270-F276 HydrophobicContact CB-CD1 4.41Å; V270-F276 HydrophobicContact CB-CE1 4.26Å; V270-F276 HydrophobicContact CG1-CD1 4.23Å; V270-F276 HydrophobicContact CG1-CE1 3.8Å; V270-F276 HydrophobicContact CG1-CE2 4.27Å; V270-F276 HydrophobicContact CG1-CZ 3.81Å; V270-F276 HydrophobicContact CG2-CD1 3.61Å; V270-F276 HydrophobicContact CG2-CE1 3.48Å; V270-F276 VanDerWaalsContact CG2-CE1 3.48Å; V270-F276 HydrophobicContact CG2-CZ 4.33Å; P274-F276 HydrophobicContact CB-CE2 3.76Å; P274-F276 HydrophobicContact CB-CZ 4.11Å; P274-F276 HydrophobicContact CG-CE2 4.44Å; P274-F276 WeakPolarHBondContact O-CE2 3.34Å; F276-S283 VanDerWaalsContact O-CA 3.3Å; F276-S283 WeakPolarHBondContact O-CA 3.46Å; F276-Y284 HydrophobicContact CB-CD1 3.89Å; F276-Y284 HydrophobicContact CB-CD2 4.4Å; F276-Y284 HydrophobicContact CB-CE1 3.39Å; F276-Y284 HydrophobicContact CB-CE2 3.93Å; F276-Y284 HydrophobicContact CB-CG 4.36Å; F276-Y284 WeakPolarHBondContact CD1-OH 3.4Å; F276-Y284 HydrophobicContact CD2-CD2 4.36Å; F276-Y284 AromaticContact CD2-CE2 3.7Å; F276-Y284 HydrophobicContact CD2-CE2 3.7Å; F276-Y284 AromaticContact CD2-CZ 3.9Å; F276-Y284 HydrophobicContact CE2-CE2 4.42Å; F276-Y284 HydrophobicContact CG-CE1 4.07Å; F276-Y284 AromaticContact CG-CE2 3.84Å; F276-Y284 HydrophobicContact CG-CE2 3.84Å; F276-Y284 AromaticContact CG-CZ 3.51Å; F276-Y284 WeakPolarHBondContact CG-OH 3.41Å; F276-Y284 PolarHBondContact N-O 3.23Å; F276-Y284 PolarHBondContact O-N 2.72Å; F276-F286 HydrophobicContact CD2-CB 4.23Å; F276-F286 HydrophobicContact CE2-CB 3.78Å; F276-F286 HydrophobicContact CE2-CD1 4.26Å; F276-F286 HydrophobicContact CZ-CD1 4.31Å; F276-L294 HydrophobicContact CE1-CD2 4.05Å; F276-L414 HydrophobicContact CD1-CB 4.15Å; F276-L414 HydrophobicContact CE1-CB 3.87Å; F276-L414 HydrophobicContact CE1-CD1 3.89Å; F276-L414 HydrophobicContact CZ-CD1 4Å; F276-L415 HydrophobicContact CD1-CD2 4.13Å |
| 277 | I | 98.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 13 Ų | 13 | 6% | 0.062 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 118.9 | 161.3 | -58.4 | 167.6 | 0 | 0 | 0 | 106.5 | A268 V269 F271 V282 F530 | A268-I277 CarbonylContact C-O 3.52Å; A268-I277 VanDerWaalsContact CA-O 3.3Å; A268-I277 WeakPolarHBondContact CA-O 3.41Å; A268-I277 WeakPolarHBondContact CB-O 2.86Å; V269-I277 HydrophobicContact CG1-CB 3.87Å; V269-I277 HydrophobicContact CG1-CD1 4.04Å; V269-I277 HydrophobicContact CG1-CG1 4.18Å; V269-I277 PolarHBondContact N-O 3.24Å; V269-I277 PolarHBondContact O-N 3.38Å; F271-I277 HydrophobicContact CE1-CD1 3.94Å; F271-I277 HydrophobicContact CE1-CG1 4.01Å; F271-I277 HydrophobicContact CZ-CD1 4.27Å; I277-V282 WeakPolarHBondContact CA-O 3.45Å; I277-F530 HydrophobicContact CD1-CD2 4.01Å; I277-F530 HydrophobicContact CD1-CE2 3.9Å |
| 278 | T | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | trans | -73.4 | 170.6 | -179.6 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | D280 G281 V282 Y284 L415 D425 | T278-D280 PolarHBondContact O-N 2.84Å; T278-G281 PolarHBondContact O-N 2.89Å; T278-G281 PolarHBondContact OG1-N 3.01Å; T278-V282 HydrophobicContact CG2-CB 4.02Å; T278-V282 PolarHBondContact N-O 3.27Å; T278-V282 WeakPolarHBondContact OG1-CB 3.16Å; T278-V282 PolarHBondContact OG1-N 3.37Å; T278-Y284 HydrophobicContact CG2-CE1 4.01Å; T278-L415 WeakPolarHBondContact CA-O 3.13Å; T278-L415 VanDerWaalsContact CB-O 3.25Å; T278-L415 WeakPolarHBondContact CB-O 3.15Å; T278-D425 WeakPolarHBondContact CB-OD2 3.46Å; T278-D425 HydrophobicContact CG2-CB 4.19Å; T278-D425 PolarHBondContact OG1-OD2 3.46Å | ||
| 279 | F | 98.5 | Very high | 96.2 | Very high | 17 Ų | 17 | 15.5 Ų | 15.5 | 8% | 0.075 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.7 | 177.9 | -65.1 | -72.3 | 0 | 0 | 0 | 113.6 | A268 V295 V401 L403 L415 M418 | A268-F279 HydrophobicContact CB-CD1 3.53Å; A268-F279 HydrophobicContact CB-CD2 4.04Å; A268-F279 HydrophobicContact CB-CE1 3.5Å; A268-F279 HydrophobicContact CB-CE2 4.01Å; A268-F279 HydrophobicContact CB-CG 3.79Å; A268-F279 HydrophobicContact CB-CZ 3.74Å; F279-V295 HydrophobicContact CE2-CB 4.48Å; F279-V295 HydrophobicContact CE2-CG2 4.03Å; F279-V401 HydrophobicContact CE1-CB 4.45Å; F279-V401 HydrophobicContact CE1-CG1 4.43Å; F279-V401 HydrophobicContact CZ-CB 4.17Å; F279-V401 HydrophobicContact CZ-CG1 4.01Å; F279-L403 HydrophobicContact CE1-CB 4.16Å; F279-L403 HydrophobicContact CE1-CD1 3.84Å; F279-L403 HydrophobicContact CE1-CG 3.76Å; F279-L403 HydrophobicContact CE2-CD1 3.75Å; F279-L403 HydrophobicContact CZ-CB 4.47Å; F279-L403 HydrophobicContact CZ-CD1 3.3Å; F279-L403 HydrophobicContact CZ-CG 3.65Å; F279-L415 HydrophobicContact CD2-CB 4.17Å; F279-L415 WeakPolarHBondContact CD2-O 3.31Å; F279-L415 HydrophobicContact CE2-CB 3.68Å; F279-L415 HydrophobicContact CZ-CB 4.32Å; F279-L415 HydrophobicContact CZ-CD1 4.38Å; F279-L415 PolarHBondContact N-O 2.92Å; F279-M418 HydrophobicContact CB-CB 3.81Å; F279-M418 HydrophobicContact CB-CG 3.73Å; F279-M418 HydrophobicContact CB-SD 4.47Å; F279-M418 HydrophobicContact CD1-SD 4.22Å; F279-M418 HydrophobicContact CD2-CB 3.99Å; F279-M418 HydrophobicContact CG-CB 3.97Å; F279-M418 HydrophobicContact CG-CG 4.05Å; F279-M418 HydrophobicContact CG-SD 4.25Å |
| 280 | D | 98.1 | Very high | 96.1 | Very high | 35 Ų | 35 | 15.6 Ų | 15.6 | 19% | 0.187 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 11.5 | 178.7 | -57.9 | -24 | 0 | 0 | 0 | 112.7 | T278 K417 N419 G420 D421 D425 | T278-D280 PolarHBondContact O-N 2.84Å; D280-K417 VanDerWaalsContact OD2-O 3.04Å; D280-N419 PolarHBondContact OD1-N 3.38Å; D280-N419 PolarHBondContact OD2-N 2.9Å; D280-N419 PolarHBondContact OD2-OD1 3.15Å; D280-G420 WeakPolarHBondContact OD1-CA 3.38Å; D280-G420 PolarHBondContact OD1-N 3.41Å; D280-G420 WeakPolarHBondContact OD2-CA 3.37Å; D280-G420 PolarHBondContact OD2-N 2.78Å; D280-D421 PolarHBondContact OD2-N 3.35Å; D280-D425 WeakPolarHBondContact CB-OD2 3.18Å |
| 281 | G | 97.1 | Very high | 96.1 | Very high | 46 Ų | 46 | 15.5 Ų | 15.5 | 47% | 0.474 | 10% | 0.098 | S | C | . | . | trans | 90 | 9.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T278 S283 | T278-G281 PolarHBondContact O-N 2.89Å; T278-G281 PolarHBondContact OG1-N 3.01Å; G281-S283 PolarHBondContact O-N 2.94Å | ||
| 282 | V | 97.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 15.6 Ų | 15.6 | 11% | 0.109 | 10% | 0.099 | C | C | . | . | trans | -68.9 | 122.1 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | I277 T278 Y284 A422 D425 L426 | I277-V282 WeakPolarHBondContact CA-O 3.45Å; T278-V282 HydrophobicContact CG2-CB 4.02Å; T278-V282 PolarHBondContact N-O 3.27Å; T278-V282 WeakPolarHBondContact OG1-CB 3.16Å; T278-V282 PolarHBondContact OG1-N 3.37Å; V282-Y284 HydrophobicContact CG1-CD1 4.42Å; V282-A422 HydrophobicContact CG2-CB 3.56Å; V282-A422 WeakPolarHBondContact CG2-O 3.36Å; V282-D425 HydrophobicContact CB-CB 4.33Å; V282-D425 HydrophobicContact CG2-CB 3.83Å; V282-D425 WeakPolarHBondContact CG2-OD2 3.3Å; V282-L426 HydrophobicContact CG1-CD1 3.94Å; V282-L426 HydrophobicContact CG1-CD2 3.98Å; V282-L426 HydrophobicContact CG1-CG 3.97Å | ||
| 283 | S | 96.4 | Very high | 96.4 | Very high | 63 Ų | 63 | 16.2 Ų | 16.2 | 44% | 0.441 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.9 | 178.6 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | F276 G281 | F276-S283 VanDerWaalsContact O-CA 3.3Å; F276-S283 WeakPolarHBondContact O-CA 3.46Å; G281-S283 PolarHBondContact O-N 2.94Å |
| 284 | Y | 95.8 | Very high | 97 | Very high | 10 Ų | 10 | 16.3 Ų | 16.3 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 169.9 | 178.9 | 71.8 | -85 | 0 | 0 | 0 | 111.8 | H275 F276 T278 V282 F286 L414 L426 F446 | H275-Y284 WeakPolarHBondContact CA-O 3.45Å; F276-Y284 HydrophobicContact CB-CD1 3.89Å; F276-Y284 HydrophobicContact CB-CD2 4.4Å; F276-Y284 HydrophobicContact CB-CE1 3.39Å; F276-Y284 HydrophobicContact CB-CE2 3.93Å; F276-Y284 HydrophobicContact CB-CG 4.36Å; F276-Y284 WeakPolarHBondContact CD1-OH 3.4Å; F276-Y284 HydrophobicContact CD2-CD2 4.36Å; F276-Y284 AromaticContact CD2-CE2 3.7Å; F276-Y284 HydrophobicContact CD2-CE2 3.7Å; F276-Y284 AromaticContact CD2-CZ 3.9Å; F276-Y284 HydrophobicContact CE2-CE2 4.42Å; F276-Y284 HydrophobicContact CG-CE1 4.07Å; F276-Y284 AromaticContact CG-CE2 3.84Å; F276-Y284 HydrophobicContact CG-CE2 3.84Å; F276-Y284 AromaticContact CG-CZ 3.51Å; F276-Y284 WeakPolarHBondContact CG-OH 3.41Å; F276-Y284 PolarHBondContact N-O 3.23Å; F276-Y284 PolarHBondContact O-N 2.72Å; T278-Y284 HydrophobicContact CG2-CE1 4.01Å; V282-Y284 HydrophobicContact CG1-CD1 4.42Å; Y284-F286 HydrophobicContact CD2-CB 4.38Å; Y284-F286 HydrophobicContact CE2-CB 3.94Å; Y284-L414 WeakPolarHBondContact OH-CB 3.23Å; Y284-L414 PolarHBondContact OH-O 3.23Å; Y284-L426 HydrophobicContact CD1-CD2 3.73Å; Y284-L426 HydrophobicContact CE1-CD2 3.73Å; Y284-L426 HydrophobicContact CG-CD2 4.39Å; Y284-F446 HydrophobicContact CD2-CE1 4.29Å; Y284-F446 HydrophobicContact CE1-CE1 4.25Å; Y284-F446 HydrophobicContact CE2-CD1 4.34Å; Y284-F446 AromaticContact CE2-CE1 3.61Å; Y284-F446 HydrophobicContact CE2-CE1 3.61Å; Y284-F446 AromaticContact CZ-CE1 3.59Å |
| 285 | S | 94.9 | Very high | 97.2 | Very high | 43 Ų | 43 | 16.3 Ų | 16.3 | 30% | 0.301 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.1 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | H275 | H275-S285 PolarHBondContact ND1-OG 2.89Å |
| 286 | F | 95.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | trans | -142.1 | 106.3 | 174.4 | 168.7 | -117.4 | 0 | 0 | 0 | 111.2 | P274 F276 Y284 G288 Y292 L414 F444 | P274-F286 WeakPolarHBondContact CD-O 3.46Å; P274-F286 PolarHBondContact O-N 2.83Å; F276-F286 HydrophobicContact CD2-CB 4.23Å; F276-F286 HydrophobicContact CE2-CB 3.78Å; F276-F286 HydrophobicContact CE2-CD1 4.26Å; F276-F286 HydrophobicContact CZ-CD1 4.31Å; Y284-F286 HydrophobicContact CD2-CB 4.38Å; Y284-F286 HydrophobicContact CE2-CB 3.94Å; F286-G288 PolarHBondContact O-N 2.82Å; F286-Y292 AromaticContact CE1-CD1 3.78Å; F286-Y292 HydrophobicContact CE1-CD1 3.78Å; F286-Y292 AromaticContact CE1-CD2 3.94Å; F286-Y292 HydrophobicContact CE1-CD2 3.94Å; F286-Y292 AromaticContact CE1-CE1 3.69Å; F286-Y292 HydrophobicContact CE1-CE1 3.69Å; F286-Y292 AromaticContact CE1-CE2 3.84Å; F286-Y292 HydrophobicContact CE1-CE2 3.84Å; F286-Y292 AromaticContact CE1-CG 3.91Å; F286-Y292 HydrophobicContact CE1-CG 3.91Å; F286-Y292 AromaticContact CE1-CZ 3.72Å; F286-Y292 HydrophobicContact CZ-CD1 4.04Å; F286-Y292 AromaticContact CZ-CE1 3.52Å; F286-Y292 HydrophobicContact CZ-CE1 3.52Å; F286-Y292 HydrophobicContact CZ-CE2 4.18Å; F286-Y292 AromaticContact CZ-CZ 3.6Å; F286-L414 HydrophobicContact CD1-CD1 4.19Å; F286-L414 HydrophobicContact CE1-CD1 4.35Å; F286-F444 AromaticContact CD2-CD2 3.93Å; F286-F444 HydrophobicContact CD2-CD2 3.93Å; F286-F444 AromaticContact CE2-CD2 3.78Å; F286-F444 HydrophobicContact CE2-CD2 3.78Å; F286-F444 HydrophobicContact CE2-CE2 4.02Å; F286-F444 HydrophobicContact CE2-CG 4.34Å; F286-F444 WeakPolarHBondContact CE2-O 3.45Å | ||
| 287 | N | 94.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 20.1 Ų | 20.1 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | trans | -99.6 | 53.4 | -178.1 | -89.5 | -83.5 | 0 | 0 | 0 | 112.6 | D273 T321 F480 P482 Y512 | D273-N287 PolarHBondContact O-ND2 2.93Å; D273-N287 PolarHBondContact O-OD1 2.79Å; N287-T321 WeakPolarHBondContact CA-OG1 3.29Å; N287-T321 PolarHBondContact OD1-N 2.76Å; N287-T321 PolarHBondContact OD1-O 2.76Å; N287-T321 PolarHBondContact OD1-OG1 3.14Å; N287-F480 VanDerWaalsContact O-CE1 3.28Å; N287-F480 WeakPolarHBondContact O-CE1 3.48Å; N287-P482 HydrophobicContact CB-CB 3.39Å; N287-P482 HydrophobicContact CB-CG 3.82Å; N287-Y512 PolarHBondContact ND2-OH 3.29Å | ||
| 288 | G | 95.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -79 | 144.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F286 Y292 T308 T321 | F286-G288 PolarHBondContact O-N 2.82Å; G288-Y292 VanDerWaalsContact C-OH 3.27Å; G288-Y292 WeakPolarHBondContact CA-OH 3.31Å; G288-T308 WeakPolarHBondContact O-CB 3.19Å; G288-T308 PolarHBondContact O-OG1 3.32Å; G288-T321 PolarHBondContact O-OG1 2.83Å | ||
| 289 | K | 96.3 | Very high | 96.9 | Very high | 60 Ų | 60 | 29.5 Ų | 29.5 | 26% | 0.261 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -92.3 | 113.9 | 166.7 | 171.7 | -174.1 | 167.9 | -158.9 | 0 | 109 | Y292 P310 T321 D477 F480 | K289-Y292 VanDerWaalsContact C-OH 3.26Å; K289-Y292 PolarHBondContact N-OH 2.75Å; K289-Y292 PolarHBondContact O-OH 2.91Å; K289-Y292 VanDerWaalsContact O-OH 3.12Å; K289-P310 HydrophobicContact CD-CG 3.88Å; K289-P310 HydrophobicContact CG-CG 4.24Å; K289-T321 HydrophobicContact CB-CG2 4.21Å; K289-D477 HydrophobicContact CB-CB 4.24Å; K289-D477 HydrophobicContact CD-CB 3.93Å; K289-D477 WeakPolarHBondContact CD-OD2 3.48Å; K289-D477 WeakPolarHBondContact CE-OD2 3.34Å; K289-D477 HydrophobicContact CG-CB 4.17Å; K289-D477 IonicContact NZ-OD2 3.27Å; K289-D477 PolarHBondContact NZ-OD2 3.38Å; K289-D477 PolarHBondContact O-N 3.4Å; K289-F480 HydrophobicContact CB-CB 3.89Å; K289-F480 HydrophobicContact CB-CD1 3.83Å; K289-F480 HydrophobicContact CB-CD2 4.13Å; K289-F480 HydrophobicContact CB-CE1 4.42Å; K289-F480 HydrophobicContact CB-CG 3.66Å; K289-F480 HydrophobicContact CD-CB 4.23Å; K289-F480 HydrophobicContact CD-CD2 4.14Å; K289-F480 HydrophobicContact CD-CG 4.27Å |
| 290 | G | 96.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.2 | -160.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | R307 T308 R475 | G290-R307 WeakPolarHBondContact O-CA 3.33Å; G290-T308 PolarHBondContact N-O 2.97Å; G290-T308 PolarHBondContact N-OG1 3.44Å; G290-T308 PolarHBondContact O-N 3.35Å; G290-T308 PolarHBondContact O-OG1 3.03Å; G290-R475 CarbonylContact C-O 3.42Å; G290-R475 WeakPolarHBondContact CA-O 3.39Å |
| 291 | E | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.9 | 174.4 | -68.1 | 177.5 | 165.2 | 0 | 0 | 109.4 | G306 R307 A451 V452 F459 Y461 Y470 R475 | E291-G306 CarbonylContact C-O 3.53Å; E291-G306 WeakPolarHBondContact CA-O 3.37Å; E291-R307 HydrophobicContact CG-CB 4Å; E291-R307 HydrophobicContact CG-CG 3.89Å; E291-R307 IonicContact OE1-CZ 2.67Å; E291-R307 IonicContact OE1-NE 3.37Å; E291-R307 PolarHBondContact OE1-NE 3.21Å; E291-R307 IonicContact OE1-NH2 3.53Å; E291-R307 PolarHBondContact OE1-NH2 3.44Å; E291-A451 WeakPolarHBondContact O-CA 3.29Å; E291-V452 HydrophobicContact CB-CB 4.34Å; E291-V452 HydrophobicContact CB-CG2 4.32Å; E291-V452 PolarHBondContact O-N 2.87Å; E291-F459 HydrophobicContact CB-CD2 4.48Å; E291-F459 HydrophobicContact CB-CE2 4.01Å; E291-F459 VanDerWaalsContact CD-CD2 3.44Å; E291-F459 HydrophobicContact CG-CD2 4.08Å; E291-F459 HydrophobicContact CG-CE2 3.89Å; E291-F459 WeakPolarHBondContact OE1-CD2 3.48Å; E291-Y461 WeakPolarHBondContact OE1-CE1 3.47Å; E291-Y461 PolarHBondContact OE1-OH 3.01Å; E291-Y461 PolarHBondContact OE2-OH 3.47Å; E291-Y470 HydrophobicContact CG-CD1 3.96Å; E291-Y470 HydrophobicContact CG-CE1 4.44Å; E291-Y470 HydrophobicContact CG-CG 4.46Å; E291-R475 PolarHBondContact N-O 2.03Å; E291-R475 IonicContact OE1-NH1 3.55Å; E291-R475 WeakPolarHBondContact OE2-CD 3.26Å; E291-R475 IonicContact OE2-CZ 2.8Å; E291-R475 IonicContact OE2-NE 3.53Å; E291-R475 IonicContact OE2-NH1 3.54Å; E291-R475 PolarHBondContact OE2-NH1 2.85Å |
| 292 | Y | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148.4 | -169.9 | -52.6 | -83.5 | 0 | 0 | 0 | 112.3 | F286 G288 K289 L294 Q305 G306 T308 L414 W450 A451 H476 | F286-Y292 AromaticContact CE1-CD1 3.78Å; F286-Y292 HydrophobicContact CE1-CD1 3.78Å; F286-Y292 AromaticContact CE1-CD2 3.94Å; F286-Y292 HydrophobicContact CE1-CD2 3.94Å; F286-Y292 AromaticContact CE1-CE1 3.69Å; F286-Y292 HydrophobicContact CE1-CE1 3.69Å; F286-Y292 AromaticContact CE1-CE2 3.84Å; F286-Y292 HydrophobicContact CE1-CE2 3.84Å; F286-Y292 AromaticContact CE1-CG 3.91Å; F286-Y292 HydrophobicContact CE1-CG 3.91Å; F286-Y292 AromaticContact CE1-CZ 3.72Å; F286-Y292 HydrophobicContact CZ-CD1 4.04Å; F286-Y292 AromaticContact CZ-CE1 3.52Å; F286-Y292 HydrophobicContact CZ-CE1 3.52Å; F286-Y292 HydrophobicContact CZ-CE2 4.18Å; F286-Y292 AromaticContact CZ-CZ 3.6Å; G288-Y292 VanDerWaalsContact C-OH 3.27Å; G288-Y292 WeakPolarHBondContact CA-OH 3.31Å; K289-Y292 VanDerWaalsContact C-OH 3.26Å; K289-Y292 PolarHBondContact N-OH 2.75Å; K289-Y292 PolarHBondContact O-OH 2.91Å; K289-Y292 VanDerWaalsContact O-OH 3.12Å; Y292-L294 PolarHBondContact O-N 2.81Å; Y292-Q305 CarbonylContact O-C 3.55Å; Y292-Q305 VanDerWaalsContact O-CA 3.26Å; Y292-Q305 WeakPolarHBondContact O-CA 3.33Å; Y292-G306 PolarHBondContact N-O 2.78Å; Y292-G306 PolarHBondContact O-N 2.77Å; Y292-T308 WeakPolarHBondContact CE2-OG1 3.43Å; Y292-L414 HydrophobicContact CG-CD1 4.27Å; Y292-W450 WeakPolarHBondContact CA-O 3.48Å; Y292-A451 HydrophobicContact CD1-CB 4.41Å; Y292-A451 HydrophobicContact CE1-CB 4.39Å; Y292-H476 HydrophobicContact CE1-CB 4.16Å; Y292-H476 AromaticContact CE1-ND1 3.83Å; Y292-H476 AromaticContact CZ-ND1 3.76Å; Y292-H476 PolarHBondContact OH-ND1 2.88Å |
| 293 | T | 98.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 110.3 | 172.5 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | R296 L414 W450 | T293-R296 HydrophobicContact CG2-CB 3.97Å; T293-L414 WeakPolarHBondContact O-CG 3.28Å; T293-L414 PolarHBondContact O-N 3.12Å; T293-W450 PolarHBondContact N-O 3.47Å |
| 294 | L | 98.9 | Very high | 97 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -52.5 | 175.8 | -58.2 | -173.1 | 0 | 0 | 0 | 110 | V270 F276 Y292 V304 V326 T399 G413 L414 L415 | V270-L294 HydrophobicContact CG2-CD1 4.16Å; V270-L294 HydrophobicContact CG2-CD2 4.1Å; F276-L294 HydrophobicContact CE1-CD2 4.05Å; Y292-L294 PolarHBondContact O-N 2.81Å; L294-V304 HydrophobicContact CB-CG1 4.39Å; L294-V304 WeakPolarHBondContact CB-O 3.25Å; L294-V304 HydrophobicContact CD1-CG1 4.21Å; L294-V304 PolarHBondContact N-O 3.31Å; L294-V326 HydrophobicContact CD1-CG1 4.49Å; L294-T399 HydrophobicContact CD1-CG2 4.5Å; L294-G413 CarbonylContact O-C 3.58Å; L294-L414 HydrophobicContact CD2-CD1 4.19Å; L294-L414 PolarHBondContact O-N 3.11Å; L294-L415 HydrophobicContact CB-CD1 4.12Å; L294-L415 HydrophobicContact CB-CG 4.27Å; L294-L415 WeakPolarHBondContact O-CB 3.46Å; L294-L415 WeakPolarHBondContact O-CG 3.36Å; L294-L415 PolarHBondContact O-N 3.36Å |
| 295 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 143.6 | 174 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | F279 V304 V401 L403 T411 V412 L415 | F279-V295 HydrophobicContact CE2-CB 4.48Å; F279-V295 HydrophobicContact CE2-CG2 4.03Å; V295-V304 HydrophobicContact CG1-CB 3.81Å; V295-V304 HydrophobicContact CG1-CG2 3.8Å; V295-V304 PolarHBondContact N-O 3.38Å; V295-V304 PolarHBondContact O-N 2.75Å; V295-V401 HydrophobicContact CG1-CG1 4.16Å; V295-V401 HydrophobicContact CG1-CG2 4.45Å; V295-L403 HydrophobicContact CG2-CD1 4.25Å; V295-T411 HydrophobicContact CG2-CG2 4.05Å; V295-V412 CarbonylContact C-O 3.56Å; V295-V412 WeakPolarHBondContact CA-O 3.45Å; V295-L415 HydrophobicContact CB-CB 4.36Å; V295-L415 HydrophobicContact CB-CD1 4.22Å; V295-L415 HydrophobicContact CG1-CD1 4.17Å |
| 296 | R | 98.2 | Very high | 97.3 | Very high | 82 Ų | 82 | 29.8 Ų | 29.8 | 31% | 0.309 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 140 | 172.9 | -173.4 | 174.7 | 66.4 | 90.7 | 3.9 | 109.7 | T293 E298 L302 T411 V412 | T293-R296 HydrophobicContact CG2-CB 3.97Å; R296-E298 IonicContact CZ-OE1 3.64Å; R296-E298 VanDerWaalsContact NH1-CD 3.31Å; R296-E298 IonicContact NH1-OE1 3.49Å; R296-E298 PolarHBondContact NH1-OE1 3.24Å; R296-E298 IonicContact NH2-OE1 3.64Å; R296-E298 PolarHBondContact NH2-OE1 3.06Å; R296-L302 WeakPolarHBondContact CA-O 3.4Å; R296-T411 WeakPolarHBondContact O-CA 3.39Å; R296-V412 HydrophobicContact CB-CG2 4.2Å; R296-V412 PolarHBondContact N-O 2.93Å; R296-V412 PolarHBondContact O-N 3.42Å |
| 297 | S | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 113.8 | 168.7 | 174 | 0 | 0 | 0 | 0 | 108.8 | Q301 L302 S410 | S297-Q301 CarbonylContact O-C 3.54Å; S297-Q301 VanDerWaalsContact O-CA 3.29Å; S297-Q301 WeakPolarHBondContact O-CA 3.23Å; S297-Q301 PolarHBondContact O-N 3.08Å; S297-L302 PolarHBondContact N-O 3.42Å; S297-L302 PolarHBondContact O-N 2.92Å; S297-S410 WeakPolarHBondContact CA-O 3.37Å; S297-S410 PolarHBondContact OG-OG 3.49Å |
| 298 | E | 95.5 | Very high | 97.6 | Very high | 139 Ų | 139 | 29.8 Ų | 29.8 | 65% | 0.65 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -43.8 | -179.1 | -68.9 | -175.8 | 178.8 | 0 | 0 | 111.8 | R296 K300 Q301 | R296-E298 IonicContact CZ-OE1 3.64Å; R296-E298 VanDerWaalsContact NH1-CD 3.31Å; R296-E298 IonicContact NH1-OE1 3.49Å; R296-E298 PolarHBondContact NH1-OE1 3.24Å; R296-E298 IonicContact NH2-OE1 3.64Å; R296-E298 PolarHBondContact NH2-OE1 3.06Å; E298-K300 VanDerWaalsContact C-N 3.27Å; E298-K300 PolarHBondContact O-N 2.85Å; E298-Q301 WeakPolarHBondContact O-CG 3.49Å; E298-Q301 PolarHBondContact O-N 2.89Å |
| 299 | G | 94.1 | Very high | 97.5 | Very high | 72 Ų | 72 | 32.7 Ų | 32.7 | 74% | 0.742 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 300 | K | 94.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 31.3 Ų | 31.3 | 32% | 0.322 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -6 | 174.7 | -60 | -65.4 | -172.9 | 172 | 0 | 113 | E298 L302 E406 F407 | E298-K300 VanDerWaalsContact C-N 3.27Å; E298-K300 PolarHBondContact O-N 2.85Å; K300-L302 PolarHBondContact O-N 3.45Å; K300-E406 WeakPolarHBondContact CE-O 3.43Å; K300-F407 HydrophobicContact CB-CD1 4.17Å; K300-F407 HydrophobicContact CB-CE1 3.41Å; K300-F407 VanDerWaalsContact CB-CE1 3.41Å; K300-F407 HydrophobicContact CB-CZ 3.63Å; K300-F407 HydrophobicContact CD-CZ 4.36Å; K300-F407 HydrophobicContact CG-CD1 3.83Å; K300-F407 HydrophobicContact CG-CD2 4.4Å; K300-F407 HydrophobicContact CG-CE1 3.49Å; K300-F407 VanDerWaalsContact CG-CE1 3.49Å; K300-F407 HydrophobicContact CG-CE2 4.09Å; K300-F407 HydrophobicContact CG-CG 4.28Å; K300-F407 HydrophobicContact CG-CZ 3.63Å |
| 301 | Q | 97.8 | Very high | 96.8 | Very high | 129 Ų | 129 | 31.5 Ų | 31.5 | 60% | 0.603 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 30.2 | -174.1 | -57.5 | 175 | 57.5 | 0 | 0 | 113.4 | S297 E298 E330 G331 | S297-Q301 CarbonylContact O-C 3.54Å; S297-Q301 VanDerWaalsContact O-CA 3.29Å; S297-Q301 WeakPolarHBondContact O-CA 3.23Å; S297-Q301 PolarHBondContact O-N 3.08Å; E298-Q301 WeakPolarHBondContact O-CG 3.49Å; E298-Q301 PolarHBondContact O-N 2.89Å; Q301-E330 WeakPolarHBondContact O-CA 3.26Å; Q301-G331 PolarHBondContact O-N 2.9Å |
| 302 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.1 | 177.2 | -178.6 | 69.8 | 0 | 0 | 0 | 109.7 | R296 S297 K300 V304 E330 F382 A386 L403 F407 | R296-L302 WeakPolarHBondContact CA-O 3.4Å; S297-L302 PolarHBondContact N-O 3.42Å; S297-L302 PolarHBondContact O-N 2.92Å; K300-L302 PolarHBondContact O-N 3.45Å; L302-V304 HydrophobicContact CD1-CG2 4.46Å; L302-V304 HydrophobicContact CG-CG2 4.43Å; L302-E330 HydrophobicContact CD1-CB 4.21Å; L302-F382 HydrophobicContact CD1-CD2 3.83Å; L302-F382 HydrophobicContact CD1-CE2 3.94Å; L302-F382 HydrophobicContact CD1-CG 4.42Å; L302-A386 HydrophobicContact CD1-CB 4.24Å; L302-A386 HydrophobicContact CD2-CB 3.72Å; L302-L403 HydrophobicContact CD2-CD2 3.55Å; L302-F407 HydrophobicContact CB-CE1 3.93Å; L302-F407 HydrophobicContact CB-CZ 4.44Å; L302-F407 HydrophobicContact CD2-CD1 4.48Å; L302-F407 HydrophobicContact CD2-CE1 3.59Å; L302-F407 HydrophobicContact CD2-CZ 3.96Å; L302-F407 HydrophobicContact CG-CE1 4.42Å |
| 303 | T | 98.8 | Very high | 94.5 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 129.8 | 172 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | Q305 M328 K329 L458 | T303-Q305 HydrophobicContact CG2-CG 4.04Å; T303-M328 VanDerWaalsContact O-CA 3.26Å; T303-M328 WeakPolarHBondContact O-CA 3.27Å; T303-K329 PolarHBondContact N-O 3.12Å; T303-K329 PolarHBondContact O-N 2.86Å; T303-L458 HydrophobicContact CG2-CD1 3.9Å |
| 304 | V | 98.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.9 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | L294 V295 L302 V326 A327 M328 V388 V401 | L294-V304 HydrophobicContact CB-CG1 4.39Å; L294-V304 WeakPolarHBondContact CB-O 3.25Å; L294-V304 HydrophobicContact CD1-CG1 4.21Å; L294-V304 PolarHBondContact N-O 3.31Å; V295-V304 HydrophobicContact CG1-CB 3.81Å; V295-V304 HydrophobicContact CG1-CG2 3.8Å; V295-V304 PolarHBondContact N-O 3.38Å; V295-V304 PolarHBondContact O-N 2.75Å; L302-V304 HydrophobicContact CD1-CG2 4.46Å; L302-V304 HydrophobicContact CG-CG2 4.43Å; V304-V326 HydrophobicContact CG1-CG1 3.82Å; V304-A327 WeakPolarHBondContact CA-O 3.02Å; V304-M328 HydrophobicContact CG1-CB 4.37Å; V304-M328 HydrophobicContact CG2-CB 4.14Å; V304-V388 HydrophobicContact CG1-CG1 4.49Å; V304-V388 HydrophobicContact CG2-CG2 4Å; V304-V401 HydrophobicContact CG1-CG2 4.49Å |
| 305 | Q | 98.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.1 | -177.2 | -65.9 | 171.3 | -4.5 | 0 | 0 | 110.2 | Y292 T303 V326 A327 V452 S456 F459 | Y292-Q305 CarbonylContact O-C 3.55Å; Y292-Q305 VanDerWaalsContact O-CA 3.26Å; Y292-Q305 WeakPolarHBondContact O-CA 3.33Å; T303-Q305 HydrophobicContact CG2-CG 4.04Å; Q305-V326 CarbonylContact O-C 3.58Å; Q305-V326 VanDerWaalsContact O-CA 3.26Å; Q305-V326 WeakPolarHBondContact O-CA 3.36Å; Q305-V326 WeakPolarHBondContact O-CG1 3.47Å; Q305-A327 PolarHBondContact N-O 2.91Å; Q305-A327 PolarHBondContact O-N 2.8Å; Q305-V452 HydrophobicContact CB-CG2 4.23Å; Q305-V452 HydrophobicContact CG-CG2 3.78Å; Q305-S456 PolarHBondContact NE2-O 3.21Å; Q305-F459 HydrophobicContact CB-CE2 3.7Å; Q305-F459 HydrophobicContact CB-CZ 3.79Å |
| 306 | G | 98.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E291 Y292 A325 | E291-G306 CarbonylContact C-O 3.53Å; E291-G306 WeakPolarHBondContact CA-O 3.37Å; Y292-G306 PolarHBondContact N-O 2.78Å; Y292-G306 PolarHBondContact O-N 2.77Å; G306-A325 CarbonylContact C-O 3.53Å; G306-A325 WeakPolarHBondContact CA-O 3.35Å |
| 307 | R | 98.3 | Very high | 88 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.3 | 171.4 | -177.4 | -174.2 | -69.4 | 148.7 | -6.7 | 109.7 | G290 E291 L323 T324 A325 E337 F459 Y470 | G290-R307 WeakPolarHBondContact O-CA 3.33Å; E291-R307 HydrophobicContact CG-CB 4Å; E291-R307 HydrophobicContact CG-CG 3.89Å; E291-R307 IonicContact OE1-CZ 2.67Å; E291-R307 IonicContact OE1-NE 3.37Å; E291-R307 PolarHBondContact OE1-NE 3.21Å; E291-R307 IonicContact OE1-NH2 3.53Å; E291-R307 PolarHBondContact OE1-NH2 3.44Å; R307-L323 WeakPolarHBondContact O-CA 3.41Å; R307-L323 WeakPolarHBondContact O-CD1 3.32Å; R307-T324 PolarHBondContact O-N 3Å; R307-T324 PolarHBondContact O-OG1 2.49Å; R307-A325 HydrophobicContact CB-CB 3.97Å; R307-A325 PolarHBondContact N-O 3.11Å; R307-A325 PolarHBondContact O-N 3.1Å; R307-E337 IonicContact NH1-OE1 3.67Å; R307-F459 HydrophobicContact CB-CE1 4.01Å; R307-F459 HydrophobicContact CB-CZ 4.03Å; R307-Y470 HydrophobicContact CG-CE1 4.18Å; R307-Y470 HydrophobicContact CG-CE2 4.37Å |
| 308 | T | 96.9 | Very high | 87.1 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.6 | 178.1 | 55 | 0 | 0 | 0 | 0 | 111.1 | P274 G288 G290 Y292 K322 L323 | P274-T308 HydrophobicContact CG-CG2 3.62Å; G288-T308 WeakPolarHBondContact O-CB 3.19Å; G288-T308 PolarHBondContact O-OG1 3.32Å; G290-T308 PolarHBondContact N-O 2.97Å; G290-T308 PolarHBondContact N-OG1 3.44Å; G290-T308 PolarHBondContact O-N 3.35Å; G290-T308 PolarHBondContact O-OG1 3.03Å; Y292-T308 WeakPolarHBondContact CE2-OG1 3.43Å; T308-K322 CarbonylContact C-O 3.58Å; T308-K322 WeakPolarHBondContact CA-O 3.32Å; T308-L323 HydrophobicContact CG2-CD1 4.07Å |
| 309 | E | 93.9 | Very high | 86.7 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 29% | 0.29 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 153.7 | 179.9 | -50 | -159.8 | 134.6 | 0 | 0 | 111.4 | T321 K322 T324 Y470 | E309-T321 CarbonylContact O-C 3.5Å; E309-T321 WeakPolarHBondContact O-CA 3.47Å; E309-T321 WeakPolarHBondContact O-CB 3.49Å; E309-K322 PolarHBondContact N-O 3.09Å; E309-K322 PolarHBondContact O-N 2.76Å; E309-T324 HydrophobicContact CB-CG2 3.76Å; E309-T324 HydrophobicContact CG-CG2 3.53Å; E309-T324 WeakPolarHBondContact CG-OG1 3.4Å; E309-Y470 WeakPolarHBondContact CG-OH 3.29Å; E309-Y470 WeakPolarHBondContact OE1-CE2 3.29Å; E309-Y470 PolarHBondContact OE1-OH 2.73Å |
| 310 | P | 91.4 | Very high | 86.5 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 20% | 0.201 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 139.1 | 176.4 | -24.9 | 35.6 | 0 | 0 | 0 | 112.8 | K289 T317 A320 F480 | K289-P310 HydrophobicContact CD-CG 3.88Å; K289-P310 HydrophobicContact CG-CG 4.24Å; P310-T317 HydrophobicContact CB-CG2 3.63Å; P310-T317 HydrophobicContact CG-CG2 4.49Å; P310-A320 CarbonylContact C-O 3.54Å; P310-A320 WeakPolarHBondContact CA-O 3.48Å; P310-F480 HydrophobicContact CB-CE2 4.32Å; P310-F480 HydrophobicContact CG-CE2 4.12Å |
| 311 | V | 86.1 | Confident | 86.4 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 135.5 | 171.2 | -177.6 | 0 | 0 | 0 | 0 | 109 | I318 A320 K322 I522 | V311-I318 HydrophobicContact CB-CB 4.45Å; V311-I318 HydrophobicContact CG1-CD1 4.29Å; V311-I318 PolarHBondContact O-N 2.85Å; V311-A320 HydrophobicContact CG2-CB 4.4Å; V311-A320 PolarHBondContact N-O 2.03Å; V311-K322 HydrophobicContact CG2-CB 4.19Å; V311-K322 HydrophobicContact CG2-CD 4.36Å; V311-K322 HydrophobicContact CG2-CG 4.23Å; V311-I522 HydrophobicContact CG1-CD1 4.22Å |
| 312 | K | 79.9 | Confident | 86.2 | Confident | 170 Ų | 170 | 51.5 Ų | 51.5 | 74% | 0.739 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.1 | 177.3 | -64.4 | -178.9 | 179.7 | 178.7 | 0 | 109.2 | ||
| 313 | D | 68.8 | Low | 86.1 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 115.3 | 169.3 | 170 | 23.3 | 0 | 0 | 0 | 108.9 | E315 K316 I318 | D313-E315 PolarHBondContact O-N 3.15Å; D313-K316 PolarHBondContact N-O 2.86Å; D313-K316 WeakPolarHBondContact O-CA 3.3Å; D313-K316 WeakPolarHBondContact O-CB 3.37Å; D313-K316 PolarHBondContact O-N 3.45Å; D313-I318 HydrophobicContact CB-CD1 3.74Å; D313-I318 HydrophobicContact CB-CG1 4.2Å |
| 314 | S | 58.8 | Low | 86 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 80% | 0.797 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 45 | 168.9 | -50.6 | 0 | 0 | 0 | 0 | 113.7 | K316 | S314-K316 VanDerWaalsContact C-N 3.29Å; S314-K316 PolarHBondContact O-N 3.01Å |
| 315 | E | 60 | Low | 86 | Confident | 201 Ų | 201 | 50.9 Ų | 50.9 | 94% | 0.939 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | -8.2 | -174.5 | -51.4 | -165.7 | 158.3 | 0 | 0 | 117.4 | D313 | D313-E315 PolarHBondContact O-N 3.15Š|
| 316 | K | 68.6 | Low | 86 | Confident | 160 Ų | 160 | 50.8 Ų | 50.8 | 70% | 0.696 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.5 | 171.1 | -163.4 | 175.4 | -179.8 | -177.3 | 0 | 110.4 | D313 S314 | D313-K316 PolarHBondContact N-O 2.86Å; D313-K316 WeakPolarHBondContact O-CA 3.3Å; D313-K316 WeakPolarHBondContact O-CB 3.37Å; D313-K316 PolarHBondContact O-N 3.45Å; S314-K316 VanDerWaalsContact C-N 3.29Å; S314-K316 PolarHBondContact O-N 3.01Å |
| 317 | T | 71.2 | Confident | 86 | Confident | 79 Ų | 79 | 50.7 Ų | 50.7 | 49% | 0.485 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 126.4 | 171.8 | -55.9 | 0 | 0 | 0 | 0 | 108.7 | P310 | P310-T317 HydrophobicContact CB-CG2 3.63Å; P310-T317 HydrophobicContact CG-CG2 4.49Å |
| 318 | I | 79.6 | Confident | 86 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 142.9 | 171.9 | -58 | 177.8 | 0 | 0 | 0 | 107.4 | V311 D313 A320 V516 G517 R518 | V311-I318 HydrophobicContact CB-CB 4.45Å; V311-I318 HydrophobicContact CG1-CD1 4.29Å; V311-I318 PolarHBondContact O-N 2.85Å; D313-I318 HydrophobicContact CB-CD1 3.74Å; D313-I318 HydrophobicContact CB-CG1 4.2Å; I318-A320 HydrophobicContact CG2-CB 3.95Å; I318-A320 PolarHBondContact O-N 3.32Å; I318-V516 HydrophobicContact CG2-CG1 4.42Å; I318-V516 WeakPolarHBondContact CG2-O 3.46Å; I318-G517 WeakPolarHBondContact CD1-O 3.04Å; I318-R518 HydrophobicContact CD1-CB 4.36Å; I318-R518 HydrophobicContact CD1-CG 4.43Å |
| 319 | N | 86.9 | Confident | 86.1 | Confident | 86 Ų | 86 | 53.3 Ų | 53.3 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 54.5 | 172.7 | -71.9 | 4.5 | 0 | 0 | 0 | 110.8 | M481 P482 V483 | N319-M481 PolarHBondContact ND2-O 3.19Å; N319-P482 CarbonylContact O-C 3.55Å; N319-P482 VanDerWaalsContact O-CA 3.23Å; N319-P482 WeakPolarHBondContact O-CA 3.48Å; N319-V483 HydrophobicContact CB-CG2 3.95Å; N319-V483 PolarHBondContact O-N 3.1Å |
| 320 | A | 89.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 156.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | P310 V311 I318 V516 | P310-A320 CarbonylContact C-O 3.54Å; P310-A320 WeakPolarHBondContact CA-O 3.48Å; V311-A320 HydrophobicContact CG2-CB 4.4Å; V311-A320 PolarHBondContact N-O 2.03Å; I318-A320 HydrophobicContact CG2-CB 3.95Å; I318-A320 PolarHBondContact O-N 3.32Å; A320-V516 HydrophobicContact CB-CG1 4.05Å |
| 321 | T | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 161.7 | -177.4 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | D273 P274 N287 G288 K289 E309 F480 | D273-T321 CarbonylContact C-O 3.57Å; D273-T321 WeakPolarHBondContact CA-O 3.36Å; D273-T321 WeakPolarHBondContact CB-O 3.4Å; P274-T321 WeakPolarHBondContact CD-O 3.25Å; P274-T321 WeakPolarHBondContact CD-OG1 3.3Å; N287-T321 WeakPolarHBondContact CA-OG1 3.29Å; N287-T321 PolarHBondContact OD1-N 2.76Å; N287-T321 PolarHBondContact OD1-O 2.76Å; N287-T321 PolarHBondContact OD1-OG1 3.14Å; G288-T321 PolarHBondContact O-OG1 2.83Å; K289-T321 HydrophobicContact CB-CG2 4.21Å; E309-T321 CarbonylContact O-C 3.5Å; E309-T321 WeakPolarHBondContact O-CA 3.47Å; E309-T321 WeakPolarHBondContact O-CB 3.49Å; T321-F480 HydrophobicContact CG2-CD1 4.3Å; T321-F480 HydrophobicContact CG2-CE1 3.47Å; T321-F480 VanDerWaalsContact CG2-CE1 3.47Å; T321-F480 HydrophobicContact CG2-CE2 4.39Å; T321-F480 HydrophobicContact CG2-CZ 3.51Å |
| 322 | K | 93.6 | Very high | 87 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.1 | 171.4 | 64.6 | 179.3 | -177.4 | 177.2 | 0 | 110.8 | T308 E309 V311 T324 E395 | T308-K322 CarbonylContact C-O 3.58Å; T308-K322 WeakPolarHBondContact CA-O 3.32Å; E309-K322 PolarHBondContact N-O 3.09Å; E309-K322 PolarHBondContact O-N 2.76Å; V311-K322 HydrophobicContact CG2-CB 4.19Å; V311-K322 HydrophobicContact CG2-CD 4.36Å; V311-K322 HydrophobicContact CG2-CG 4.23Å; K322-T324 HydrophobicContact CG-CG2 4.28Å; K322-T324 PolarHBondContact O-N 2.84Å; K322-E395 PolarHBondContact NZ-O 2.9Å |
| 323 | L | 96.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 128.1 | 174.5 | -162.2 | 71.6 | 0 | 0 | 0 | 110 | V270 R307 T308 V326 M397 T399 | V270-L323 HydrophobicContact CG1-CD2 4.47Å; R307-L323 WeakPolarHBondContact O-CA 3.41Å; R307-L323 WeakPolarHBondContact O-CD1 3.32Å; T308-L323 HydrophobicContact CG2-CD1 4.07Å; L323-V326 HydrophobicContact CD1-CG2 4.43Å; L323-V326 HydrophobicContact CD2-CG2 3.68Å; L323-V326 HydrophobicContact CG-CG2 4.17Å; L323-M397 HydrophobicContact CB-CB 4.4Å; L323-M397 HydrophobicContact CB-CE 4.12Å; L323-M397 HydrophobicContact CD2-CE 3.7Å; L323-M397 HydrophobicContact CG-CE 3.49Å; L323-M397 VanDerWaalsContact CG-CE 3.49Å; L323-T399 VanDerWaalsContact CD2-OG1 3.31Å; L323-T399 WeakPolarHBondContact CD2-OG1 3.43Å |
| 324 | T | 96.5 | Very high | 89.3 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | -23 | -178.1 | 62.2 | 0 | 0 | 0 | 0 | 114 | R307 E309 K322 R339 L340 M397 | R307-T324 PolarHBondContact O-N 3Å; R307-T324 PolarHBondContact O-OG1 2.49Å; E309-T324 HydrophobicContact CB-CG2 3.76Å; E309-T324 HydrophobicContact CG-CG2 3.53Å; E309-T324 WeakPolarHBondContact CG-OG1 3.4Å; K322-T324 HydrophobicContact CG-CG2 4.28Å; K322-T324 PolarHBondContact O-N 2.84Å; T324-R339 CarbonylContact O-C 3.56Å; T324-R339 VanDerWaalsContact O-CA 3.26Å; T324-R339 WeakPolarHBondContact O-CA 3.22Å; T324-R339 WeakPolarHBondContact O-CB 3.25Å; T324-L340 HydrophobicContact CG2-CD1 4.22Å; T324-L340 PolarHBondContact O-N 2.68Å; T324-M397 VanDerWaalsContact C-CE 3.5Å |
| 325 | A | 98 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 150.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G306 R307 V338 R339 F459 | G306-A325 CarbonylContact C-O 3.53Å; G306-A325 WeakPolarHBondContact CA-O 3.35Å; R307-A325 HydrophobicContact CB-CB 3.97Å; R307-A325 PolarHBondContact N-O 3.11Å; R307-A325 PolarHBondContact O-N 3.1Å; A325-V338 CarbonylContact C-O 3.6Å; A325-V338 VanDerWaalsContact CA-O 3.23Å; A325-V338 WeakPolarHBondContact CA-O 3.35Å; A325-R339 HydrophobicContact CB-CB 3.7Å; A325-F459 HydrophobicContact CB-CD1 4.07Å; A325-F459 HydrophobicContact CB-CE1 3.83Å |
| 326 | V | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.8 | 168.8 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | L294 V304 Q305 L323 M328 E337 V338 V390 M397 T399 | L294-V326 HydrophobicContact CD1-CG1 4.49Å; V304-V326 HydrophobicContact CG1-CG1 3.82Å; Q305-V326 CarbonylContact O-C 3.58Å; Q305-V326 VanDerWaalsContact O-CA 3.26Å; Q305-V326 WeakPolarHBondContact O-CA 3.36Å; Q305-V326 WeakPolarHBondContact O-CG1 3.47Å; L323-V326 HydrophobicContact CD1-CG2 4.43Å; L323-V326 HydrophobicContact CD2-CG2 3.68Å; L323-V326 HydrophobicContact CG-CG2 4.17Å; V326-M328 HydrophobicContact CB-CE 4.11Å; V326-M328 HydrophobicContact CG1-CE 3.73Å; V326-M328 VanDerWaalsContact O-CE 3.29Å; V326-M328 WeakPolarHBondContact O-CE 3.19Å; V326-E337 CarbonylContact O-C 3.47Å; V326-E337 WeakPolarHBondContact O-CA 3.19Å; V326-V338 PolarHBondContact N-O 2.92Å; V326-V338 PolarHBondContact O-N 3.45Å; V326-V390 HydrophobicContact CB-CG2 4.41Å; V326-M397 HydrophobicContact CG2-CE 3.76Å; V326-T399 HydrophobicContact CG1-CG2 4.12Å; V326-T399 HydrophobicContact CG2-CG2 4.14Å; V326-T399 VanDerWaalsContact CG2-OG1 3.3Å; V326-T399 WeakPolarHBondContact CG2-OG1 3.44Å |
| 327 | A | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V304 Q305 I336 E337 L458 F459 | V304-A327 WeakPolarHBondContact CA-O 3.02Å; Q305-A327 PolarHBondContact N-O 2.91Å; Q305-A327 PolarHBondContact O-N 2.8Å; A327-I336 CarbonylContact C-O 3.4Å; A327-I336 WeakPolarHBondContact CA-O 3.38Å; A327-E337 HydrophobicContact CB-CB 4.21Å; A327-E337 HydrophobicContact CB-CG 4.41Å; A327-L458 HydrophobicContact CB-CB 3.6Å; A327-F459 HydrophobicContact CB-CD1 3.63Å; A327-F459 HydrophobicContact CB-CE1 3.63Å; A327-F459 HydrophobicContact CB-CG 4.1Å; A327-F459 HydrophobicContact CB-CZ 4.1Å |
| 328 | M | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 150 | -172.5 | 63 | -136.8 | 83.3 | 0 | 0 | 113 | T303 V304 V326 I336 V338 V380 F382 V388 | T303-M328 VanDerWaalsContact O-CA 3.26Å; T303-M328 WeakPolarHBondContact O-CA 3.27Å; V304-M328 HydrophobicContact CG1-CB 4.37Å; V304-M328 HydrophobicContact CG2-CB 4.14Å; V326-M328 HydrophobicContact CB-CE 4.11Å; V326-M328 HydrophobicContact CG1-CE 3.73Å; V326-M328 VanDerWaalsContact O-CE 3.29Å; V326-M328 WeakPolarHBondContact O-CE 3.19Å; M328-I336 WeakPolarHBondContact CE-O 3.25Å; M328-I336 HydrophobicContact CG-CB 4.2Å; M328-I336 PolarHBondContact N-O 2.96Å; M328-I336 PolarHBondContact O-N 3.29Å; M328-V338 HydrophobicContact CE-CG2 3.81Å; M328-V380 HydrophobicContact CG-CB 4.44Å; M328-V380 HydrophobicContact CG-CG1 4.05Å; M328-V380 HydrophobicContact SD-CB 3.73Å; M328-V380 HydrophobicContact SD-CG1 4.01Å; M328-V380 HydrophobicContact SD-CG2 3.65Å; M328-F382 HydrophobicContact CB-CE2 4.23Å; M328-F382 HydrophobicContact CB-CZ 4.12Å; M328-F382 HydrophobicContact CG-CE2 4.02Å; M328-F382 HydrophobicContact CG-CZ 3.8Å; M328-V388 HydrophobicContact CE-CG1 4.47Å; M328-V388 HydrophobicContact SD-CB 3.66Å; M328-V388 HydrophobicContact SD-CG1 3.66Å; M328-V388 HydrophobicContact SD-CG2 4Å |
| 329 | K | 98.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 20.8 Ų | 20.8 | 28% | 0.283 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 146.7 | 179.7 | -164.8 | -165.5 | -175.5 | -163.3 | 0 | 111.3 | T303 G331 S333 I335 L458 | T303-K329 PolarHBondContact N-O 3.12Å; T303-K329 PolarHBondContact O-N 2.86Å; K329-G331 WeakPolarHBondContact CE-O 3.26Å; K329-G331 PolarHBondContact NZ-O 3.26Å; K329-G331 VanDerWaalsContact NZ-O 3.09Å; K329-S333 WeakPolarHBondContact CE-O 3.43Å; K329-S333 WeakPolarHBondContact CG-OG 3.43Å; K329-I335 HydrophobicContact CB-CG1 4.27Å; K329-I335 HydrophobicContact CD-CD1 4.42Å; K329-I335 HydrophobicContact CD-CG1 3.79Å; K329-I335 HydrophobicContact CG-CG1 3.98Å; K329-L458 HydrophobicContact CB-CD1 3.94Å; K329-L458 HydrophobicContact CB-CD2 4.31Å; K329-L458 HydrophobicContact CD-CD2 4.42Å |
| 330 | E | 98.2 | Very high | 97 | Very high | 21 Ų | 21 | 18.6 Ų | 18.6 | 10% | 0.098 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.2 | 167.1 | -178.6 | 167.7 | 99.4 | 0 | 0 | 111.3 | Q301 L302 S332 S333 F382 P383 S384 | Q301-E330 WeakPolarHBondContact O-CA 3.26Å; L302-E330 HydrophobicContact CD1-CB 4.21Å; E330-S332 PolarHBondContact O-N 3.06Å; E330-S332 VanDerWaalsContact O-N 3.1Å; E330-S333 PolarHBondContact N-OG 3.05Å; E330-S333 WeakPolarHBondContact O-CB 3.13Å; E330-S333 PolarHBondContact O-N 3.45Å; E330-S333 PolarHBondContact O-OG 2.78Å; E330-F382 HydrophobicContact CB-CB 4.05Å; E330-F382 HydrophobicContact CB-CD1 3.38Å; E330-F382 HydrophobicContact CB-CE1 3.87Å; E330-F382 HydrophobicContact CB-CG 3.75Å; E330-F382 HydrophobicContact CG-CB 4.48Å; E330-P383 WeakPolarHBondContact OE1-CD 3.19Å; E330-S384 WeakPolarHBondContact OE1-CB 3.49Å; E330-S384 PolarHBondContact OE1-N 2.9Å; E330-S384 PolarHBondContact OE1-OG 2.83Å; E330-S384 WeakPolarHBondContact OE2-CB 3.5Å; E330-S384 PolarHBondContact OE2-OG 3.42Å |
| 331 | G | 96.7 | Very high | 96.8 | Very high | 21 Ų | 21 | 21 Ų | 21 | 22% | 0.216 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | -116.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q301 K329 | Q301-G331 PolarHBondContact O-N 2.9Å; K329-G331 WeakPolarHBondContact CE-O 3.26Å; K329-G331 PolarHBondContact NZ-O 3.26Å; K329-G331 VanDerWaalsContact NZ-O 3.09Å |
| 332 | S | 96 | Very high | 95.9 | Very high | 95 Ų | 95 | 32.7 Ų | 32.7 | 66% | 0.664 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 18 | 177.8 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | E330 Q366 | E330-S332 PolarHBondContact O-N 3.06Å; E330-S332 VanDerWaalsContact O-N 3.1Å; S332-Q366 PolarHBondContact O-NE2 2.96Å |
| 333 | S | 97.7 | Very high | 95 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -63.1 | 161.3 | 174.8 | 79.2 | 0 | 0 | 0 | 0 | 111.4 | K329 E330 Q366 G367 | K329-S333 WeakPolarHBondContact CE-O 3.43Å; K329-S333 WeakPolarHBondContact CG-OG 3.43Å; E330-S333 PolarHBondContact N-OG 3.05Å; E330-S333 WeakPolarHBondContact O-CB 3.13Å; E330-S333 PolarHBondContact O-N 3.45Å; E330-S333 PolarHBondContact O-OG 2.78Å; S333-Q366 CarbonylContact C-O 3.59Å; S333-Q366 WeakPolarHBondContact CA-O 3.25Å; S333-Q366 WeakPolarHBondContact CB-O 3.33Å; S333-G367 WeakPolarHBondContact CB-O 3.21Å |
| 334 | D | 98.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 147.5 | 159.6 | -71.7 | -38.5 | 0 | 0 | 0 | 110.2 | I336 R350 N351 Q366 V368 | D334-I336 HydrophobicContact CB-CD1 4.5Å; D334-R350 HydrophobicContact CB-CG 4.07Å; D334-R350 VanDerWaalsContact CG-NE 3.33Å; D334-R350 IonicContact OD1-NE 3.41Å; D334-R350 IonicContact OD1-NH2 3.87Å; D334-R350 IonicContact OD2-CZ 3.4Å; D334-R350 IonicContact OD2-NE 2.8Å; D334-R350 PolarHBondContact OD2-NE 2.92Å; D334-R350 IonicContact OD2-NH2 2.67Å; D334-R350 PolarHBondContact OD2-NH2 2.72Å; D334-N351 PolarHBondContact OD1-ND2 3.13Å; D334-Q366 PolarHBondContact N-O 2.91Å; D334-Q366 WeakPolarHBondContact OD2-CB 3.42Å; D334-Q366 PolarHBondContact OD2-N 2.81Å; D334-Q366 VanDerWaalsContact OD2-N 3.11Å; D334-V368 HydrophobicContact CB-CG1 4.1Å |
| 335 | I | 98.8 | Very high | 94.1 | Very high | 41 Ų | 41 | 46.3 Ų | 46.3 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 126.5 | 171.5 | -62.8 | 170.1 | 0 | 0 | 0 | 107.8 | K329 R350 N351 L458 | K329-I335 HydrophobicContact CB-CG1 4.27Å; K329-I335 HydrophobicContact CD-CD1 4.42Å; K329-I335 HydrophobicContact CD-CG1 3.79Å; K329-I335 HydrophobicContact CG-CG1 3.98Å; I335-R350 WeakPolarHBondContact O-CA 3.21Å; I335-N351 PolarHBondContact N-OD1 3.45Å; I335-N351 PolarHBondContact O-N 3.3Å; I335-L458 HydrophobicContact CD1-CD2 3.96Å; I335-L458 HydrophobicContact CG1-CD2 4.27Å; I335-L458 HydrophobicContact CG2-CB 4.05Å; I335-L458 WeakPolarHBondContact CG2-O 3.4Å |
| 336 | I | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.5 | 174.4 | -53.2 | -57.5 | 0 | 0 | 0 | 108.8 | A327 M328 D334 V338 L348 L349 R350 L365 V368 V370 V380 | A327-I336 CarbonylContact C-O 3.4Å; A327-I336 WeakPolarHBondContact CA-O 3.38Å; M328-I336 WeakPolarHBondContact CE-O 3.25Å; M328-I336 HydrophobicContact CG-CB 4.2Å; M328-I336 PolarHBondContact N-O 2.96Å; M328-I336 PolarHBondContact O-N 3.29Å; D334-I336 HydrophobicContact CB-CD1 4.5Å; I336-V338 HydrophobicContact CG2-CG2 4.39Å; I336-L348 HydrophobicContact CG2-CD1 4.01Å; I336-L348 HydrophobicContact CG2-CD2 4.19Å; I336-L348 HydrophobicContact CG2-CG 4.12Å; I336-L349 WeakPolarHBondContact CA-O 3.4Å; I336-R350 HydrophobicContact CD1-CB 4.37Å; I336-R350 HydrophobicContact CD1-CG 4.42Å; I336-L365 HydrophobicContact CD1-CD1 3.72Å; I336-V368 HydrophobicContact CD1-CG1 4.07Å; I336-V368 HydrophobicContact CG1-CG1 3.99Å; I336-V368 HydrophobicContact CG1-CG2 4.08Å; I336-V370 HydrophobicContact CD1-CG2 4.07Å; I336-V370 HydrophobicContact CG1-CG2 4.12Å; I336-V380 HydrophobicContact CB-CG1 4.33Å; I336-V380 HydrophobicContact CB-CG2 4.45Å; I336-V380 HydrophobicContact CG1-CG1 4.17Å; I336-V380 HydrophobicContact CG2-CG2 3.82Å |
| 337 | E | 98.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.7 | 169.9 | 175.9 | -177.6 | 170.2 | 0 | 0 | 109.2 | R307 V326 A327 L348 L349 F459 T460 | R307-E337 IonicContact NH1-OE1 3.67Å; V326-E337 CarbonylContact O-C 3.47Å; V326-E337 WeakPolarHBondContact O-CA 3.19Å; A327-E337 HydrophobicContact CB-CB 4.21Å; A327-E337 HydrophobicContact CB-CG 4.41Å; E337-L348 CarbonylContact O-C 3.59Å; E337-L348 WeakPolarHBondContact O-CA 3.13Å; E337-L349 HydrophobicContact CB-CB 4.27Å; E337-L349 HydrophobicContact CG-CD1 4.5Å; E337-L349 PolarHBondContact N-O 2.75Å; E337-L349 PolarHBondContact O-N 2.63Å; E337-F459 HydrophobicContact CG-CD1 4.29Å; E337-T460 WeakPolarHBondContact OE2-CB 3.41Å; E337-T460 PolarHBondContact OE2-N 3.13Å; E337-T460 PolarHBondContact OE2-OG1 2.68Å |
| 338 | V | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.5 | 173.6 | -164.3 | 0 | 0 | 0 | 0 | 107.5 | A325 V326 M328 I336 L346 E347 L348 V378 V390 | A325-V338 CarbonylContact C-O 3.6Å; A325-V338 VanDerWaalsContact CA-O 3.23Å; A325-V338 WeakPolarHBondContact CA-O 3.35Å; V326-V338 PolarHBondContact N-O 2.92Å; V326-V338 PolarHBondContact O-N 3.45Å; M328-V338 HydrophobicContact CE-CG2 3.81Å; I336-V338 HydrophobicContact CG2-CG2 4.39Å; V338-L346 HydrophobicContact CG1-CB 3.98Å; V338-L346 HydrophobicContact CG1-CD1 4.07Å; V338-L346 HydrophobicContact CG1-CD2 4.21Å; V338-L346 HydrophobicContact CG1-CG 4.31Å; V338-E347 WeakPolarHBondContact CA-O 3.3Å; V338-L348 HydrophobicContact CB-CD1 4.31Å; V338-L348 HydrophobicContact CG1-CD1 4.22Å; V338-L348 HydrophobicContact CG2-CD1 3.58Å; V338-V378 HydrophobicContact CG1-CB 4.2Å; V338-V378 HydrophobicContact CG1-CG1 4.49Å; V338-V378 HydrophobicContact CG1-CG2 4.02Å; V338-V378 HydrophobicContact CG2-CB 4.48Å; V338-V378 HydrophobicContact CG2-CG1 3.94Å; V338-V390 HydrophobicContact CB-CB 4.36Å; V338-V390 HydrophobicContact CB-CG1 4.24Å; V338-V390 HydrophobicContact CB-CG2 4.12Å; V338-V390 HydrophobicContact CG1-CB 4.07Å; V338-V390 HydrophobicContact CG1-CG1 3.84Å; V338-V390 HydrophobicContact CG1-CG2 4.38Å; V338-V390 HydrophobicContact CG2-CB 4.49Å; V338-V390 HydrophobicContact CG2-CG2 3.99Å |
| 339 | R | 97.2 | Very high | 93.8 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 158.1 | -179.1 | 67.6 | -174.1 | -173.3 | -174.2 | -0.7 | 112.6 | T324 A325 D341 L346 E347 L349 D462 | T324-R339 CarbonylContact O-C 3.56Å; T324-R339 VanDerWaalsContact O-CA 3.26Å; T324-R339 WeakPolarHBondContact O-CA 3.22Å; T324-R339 WeakPolarHBondContact O-CB 3.25Å; A325-R339 HydrophobicContact CB-CB 3.7Å; R339-D341 PolarHBondContact O-N 2.8Å; R339-L346 CarbonylContact O-C 3.55Å; R339-L346 WeakPolarHBondContact O-CA 3.42Å; R339-E347 HydrophobicContact CG-CB 4.1Å; R339-E347 IonicContact CZ-OE2 3.31Å; R339-E347 PolarHBondContact N-O 3.11Å; R339-E347 IonicContact NE-OE2 2.83Å; R339-E347 PolarHBondContact NE-OE2 3.04Å; R339-E347 IonicContact NH2-OE1 3.63Å; R339-E347 IonicContact NH2-OE2 3.25Å; R339-E347 PolarHBondContact NH2-OE2 3.09Å; R339-E347 PolarHBondContact O-N 2.92Å; R339-L349 HydrophobicContact CG-CD1 4.02Å; R339-D462 IonicContact CZ-OD1 3.96Å; R339-D462 IonicContact CZ-OD2 2.68Å; R339-D462 VanDerWaalsContact NH1-CG 3.33Å; R339-D462 IonicContact NH1-OD1 2.71Å; R339-D462 PolarHBondContact NH1-OD1 3.49Å; R339-D462 IonicContact NH1-OD2 3.29Å; R339-D462 PolarHBondContact NH1-OD2 3.01Å; R339-D462 VanDerWaalsContact NH1-OD2 3.14Å; R339-D462 IonicContact NH2-OD1 3.12Å; R339-D462 IonicContact NH2-OD2 3.96Å; R339-D462 PolarHBondContact NH2-OD2 3.32Å |
| 340 | L | 94.6 | Very high | 93.8 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 123.7 | 176.3 | -69.1 | 178.2 | 0 | 0 | 0 | 110.6 | T324 L346 R392 M397 | T324-L340 HydrophobicContact CG2-CD1 4.22Å; T324-L340 PolarHBondContact O-N 2.68Å; L340-L346 HydrophobicContact CD2-CD2 4.13Å; L340-R392 HydrophobicContact CD2-CG 4.21Å; L340-M397 HydrophobicContact CD2-CB 4.14Å; L340-M397 HydrophobicContact CD2-SD 4.31Å; L340-M397 HydrophobicContact CG-SD 4.42Å |
| 341 | D | 85.1 | Confident | 93.8 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | trans | -85.8 | 150.8 | 173.3 | 179.5 | 28.5 | 0 | 0 | 0 | 111.4 | R339 R343 N344 G345 E347 R392 | R339-D341 PolarHBondContact O-N 2.8Å; D341-R343 PolarHBondContact O-N 3.16Å; D341-R343 PolarHBondContact OD1-N 3.36Å; D341-R343 WeakPolarHBondContact OD2-CB 3.45Å; D341-R343 WeakPolarHBondContact OD2-CG 3.27Å; D341-R343 PolarHBondContact OD2-N 2.77Å; D341-N344 PolarHBondContact O-N 3.23Å; D341-G345 PolarHBondContact N-O 2.83Å; D341-E347 HydrophobicContact CB-CB 4.2Å; D341-R392 PolarHBondContact O-NH1 3.42Å; D341-R392 VanDerWaalsContact O-NH1 3.1Å | ||
| 342 | R | 74.5 | Confident | 93.8 | Very high | 246 Ų | 246 | 59 Ų | 59 | 93% | 0.928 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.2 | 172.9 | -63.4 | -175.2 | -178.5 | -177.9 | 2 | 112.9 | N344 | R342-N344 VanDerWaalsContact C-N 3.3Å; R342-N344 PolarHBondContact O-N 2.85Å |
| 343 | R | 76 | Confident | 93.9 | Very high | 221 Ų | 221 | 61.7 Ų | 61.7 | 83% | 0.834 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 26.4 | -179.9 | -49.2 | -180 | -178.4 | -169.6 | 1.7 | 114.1 | D341 G345 | D341-R343 PolarHBondContact O-N 3.16Å; D341-R343 PolarHBondContact OD1-N 3.36Å; D341-R343 WeakPolarHBondContact OD2-CB 3.45Å; D341-R343 WeakPolarHBondContact OD2-CG 3.27Å; D341-R343 PolarHBondContact OD2-N 2.77Å; R343-G345 VanDerWaalsContact C-N 3.3Å; R343-G345 PolarHBondContact O-N 3.49Å |
| 344 | N | 81.8 | Confident | 93.7 | Very high | 120 Ų | 120 | 65.5 Ų | 65.5 | 64% | 0.642 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 66.5 | 20.8 | -178.7 | -66.4 | -25.2 | 0 | 0 | 0 | 116.5 | D341 R342 R392 | D341-N344 PolarHBondContact O-N 3.23Å; R342-N344 VanDerWaalsContact C-N 3.3Å; R342-N344 PolarHBondContact O-N 2.85Å; N344-R392 PolarHBondContact O-NE 3.44Å; N344-R392 PolarHBondContact OD1-NH2 3.19Å |
| 345 | G | 92.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 66.8 Ų | 66.8 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -115.7 | -163.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D341 R343 S375 R392 | D341-G345 PolarHBondContact N-O 2.83Å; R343-G345 VanDerWaalsContact C-N 3.3Å; R343-G345 PolarHBondContact O-N 3.49Å; G345-S375 CarbonylContact C-O 3.25Å; G345-R392 VanDerWaalsContact N-NH1 3.18Å; G345-R392 PolarHBondContact O-NH1 2.97Å |
| 346 | L | 96.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 68.6 Ų | 68.6 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.3 | 166.6 | -63.8 | 174.2 | 0 | 0 | 0 | 108.5 | V338 R339 L340 S375 T376 V378 V390 R392 M397 | V338-L346 HydrophobicContact CG1-CB 3.98Å; V338-L346 HydrophobicContact CG1-CD1 4.07Å; V338-L346 HydrophobicContact CG1-CD2 4.21Å; V338-L346 HydrophobicContact CG1-CG 4.31Å; R339-L346 CarbonylContact O-C 3.55Å; R339-L346 WeakPolarHBondContact O-CA 3.42Å; L340-L346 HydrophobicContact CD2-CD2 4.13Å; L346-S375 WeakPolarHBondContact CB-O 3.3Å; L346-S375 PolarHBondContact N-O 3.08Å; L346-T376 WeakPolarHBondContact CD1-O 3.26Å; L346-V378 HydrophobicContact CB-CG2 4.35Å; L346-V378 HydrophobicContact CD1-CB 4.45Å; L346-V378 HydrophobicContact CD1-CG2 3.98Å; L346-V390 HydrophobicContact CD1-CB 4.43Å; L346-V390 HydrophobicContact CD1-CG1 4.01Å; L346-V390 HydrophobicContact CD2-CG1 4.28Å; L346-R392 HydrophobicContact CD1-CB 4.46Å; L346-R392 HydrophobicContact CD2-CB 4.07Å; L346-R392 HydrophobicContact CG-CB 4.1Å; L346-M397 HydrophobicContact CD2-CG 4.36Å; L346-M397 HydrophobicContact CD2-SD 3.81Å |
| 347 | E | 96.3 | Very high | 93 | Very high | 45 Ų | 45 | 70.4 Ų | 70.4 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.2 | 167.8 | -174.5 | 179.6 | -154.7 | 0 | 0 | 108.7 | V338 R339 D341 L349 T354 | V338-E347 WeakPolarHBondContact CA-O 3.3Å; R339-E347 HydrophobicContact CG-CB 4.1Å; R339-E347 IonicContact CZ-OE2 3.31Å; R339-E347 PolarHBondContact N-O 3.11Å; R339-E347 IonicContact NE-OE2 2.83Å; R339-E347 PolarHBondContact NE-OE2 3.04Å; R339-E347 IonicContact NH2-OE1 3.63Å; R339-E347 IonicContact NH2-OE2 3.25Å; R339-E347 PolarHBondContact NH2-OE2 3.09Å; R339-E347 PolarHBondContact O-N 2.92Å; D341-E347 HydrophobicContact CB-CB 4.2Å; E347-L349 HydrophobicContact CG-CD1 3.98Å; E347-T354 HydrophobicContact CG-CG2 4.02Å; E347-T354 WeakPolarHBondContact OE1-CG2 3.03Å; E347-T354 PolarHBondContact OE1-OG1 2.86Å |
| 348 | L | 97.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.3 | 175.7 | -154.5 | 93.2 | 0 | 0 | 0 | 110.2 | I336 E337 V338 T354 L355 F357 V370 V378 | I336-L348 HydrophobicContact CG2-CD1 4.01Å; I336-L348 HydrophobicContact CG2-CD2 4.19Å; I336-L348 HydrophobicContact CG2-CG 4.12Å; E337-L348 CarbonylContact O-C 3.59Å; E337-L348 WeakPolarHBondContact O-CA 3.13Å; V338-L348 HydrophobicContact CB-CD1 4.31Å; V338-L348 HydrophobicContact CG1-CD1 4.22Å; V338-L348 HydrophobicContact CG2-CD1 3.58Å; L348-T354 CarbonylContact O-C 3.4Å; L348-T354 WeakPolarHBondContact O-CA 2.98Å; L348-L355 HydrophobicContact CD2-CB 4.24Å; L348-L355 HydrophobicContact CD2-CD2 3.83Å; L348-L355 PolarHBondContact O-N 2.79Å; L348-F357 HydrophobicContact CB-CE2 4.47Å; L348-F357 HydrophobicContact CD2-CE2 3.53Å; L348-F357 HydrophobicContact CD2-CZ 4.04Å; L348-V370 HydrophobicContact CD1-CG1 4.42Å; L348-V370 HydrophobicContact CD2-CG1 3.73Å; L348-V378 HydrophobicContact CD1-CB 4.25Å; L348-V378 HydrophobicContact CD1-CG1 3.39Å; L348-V378 HydrophobicContact CD1-CG2 3.91Å |
| 349 | L | 98.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.1 | 173.7 | -61.9 | 84.4 | 0 | 0 | 0 | 109.9 | I336 E337 R339 E347 Q353 T460 | I336-L349 WeakPolarHBondContact CA-O 3.4Å; E337-L349 HydrophobicContact CB-CB 4.27Å; E337-L349 HydrophobicContact CG-CD1 4.5Å; E337-L349 PolarHBondContact N-O 2.75Å; E337-L349 PolarHBondContact O-N 2.63Å; R339-L349 HydrophobicContact CG-CD1 4.02Å; E347-L349 HydrophobicContact CG-CD1 3.98Å; L349-Q353 CarbonylContact C-O 3.59Å; L349-Q353 VanDerWaalsContact CA-O 3.22Å; L349-Q353 WeakPolarHBondContact CA-O 3.37Å; L349-T460 HydrophobicContact CD2-CG2 4.06Å |
| 350 | R | 98.1 | Very high | 91.6 | Very high | 91 Ų | 91 | 85.7 Ų | 85.7 | 34% | 0.343 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118 | 170.4 | 176.8 | -163.8 | 177.2 | -164.7 | -1.7 | 107.9 | D334 I335 I336 Q352 Q353 L355 L365 | D334-R350 HydrophobicContact CB-CG 4.07Å; D334-R350 VanDerWaalsContact CG-NE 3.33Å; D334-R350 IonicContact OD1-NE 3.41Å; D334-R350 IonicContact OD1-NH2 3.87Å; D334-R350 IonicContact OD2-CZ 3.4Å; D334-R350 IonicContact OD2-NE 2.8Å; D334-R350 PolarHBondContact OD2-NE 2.92Å; D334-R350 IonicContact OD2-NH2 2.67Å; D334-R350 PolarHBondContact OD2-NH2 2.72Å; I335-R350 WeakPolarHBondContact O-CA 3.21Å; I336-R350 HydrophobicContact CD1-CB 4.37Å; I336-R350 HydrophobicContact CD1-CG 4.42Å; R350-Q352 VanDerWaalsContact C-N 3.27Å; R350-Q352 PolarHBondContact O-N 2.84Å; R350-Q353 PolarHBondContact N-O 2.88Å; R350-Q353 PolarHBondContact O-N 2.72Å; R350-L355 HydrophobicContact CB-CB 4.49Å; R350-L355 HydrophobicContact CB-CD2 4.4Å; R350-L365 HydrophobicContact CG-CD1 4.26Å |
| 351 | N | 97.9 | Very high | 91.5 | Very high | 70 Ų | 70 | 86.9 Ų | 86.9 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 51.2 | -179.5 | -58.4 | -32.8 | 0 | 0 | 0 | 112.5 | D334 I335 Q353 | D334-N351 PolarHBondContact OD1-ND2 3.13Å; I335-N351 PolarHBondContact N-OD1 3.45Å; I335-N351 PolarHBondContact O-N 3.3Å; N351-Q353 VanDerWaalsContact C-N 3.26Å; N351-Q353 PolarHBondContact O-N 3.06Å |
| 352 | Q | 97.1 | Very high | 91.8 | Very high | 139 Ų | 139 | 89.2 Ų | 89.2 | 65% | 0.65 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 5.1 | 179.6 | -49.5 | 168.8 | 30 | 0 | 0 | 116.3 | R350 T460 | R350-Q352 VanDerWaalsContact C-N 3.27Å; R350-Q352 PolarHBondContact O-N 2.84Å; Q352-T460 WeakPolarHBondContact CA-OG1 3.43Å; Q352-T460 HydrophobicContact CB-CG2 3.69Å; Q352-T460 HydrophobicContact CG-CG2 3.98Å |
| 353 | Q | 97.4 | Very high | 92.7 | Very high | 150 Ų | 150 | 78.4 Ų | 78.4 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.9 | 176.8 | -62.5 | -175.9 | -2 | 0 | 0 | 111.2 | L349 R350 N351 L355 | L349-Q353 CarbonylContact C-O 3.59Å; L349-Q353 VanDerWaalsContact CA-O 3.22Å; L349-Q353 WeakPolarHBondContact CA-O 3.37Å; R350-Q353 PolarHBondContact N-O 2.88Å; R350-Q353 PolarHBondContact O-N 2.72Å; N351-Q353 VanDerWaalsContact C-N 3.26Å; N351-Q353 PolarHBondContact O-N 3.06Å; Q353-L355 PolarHBondContact O-N 3.04Å |
| 354 | T | 95.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 131.9 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | E347 L348 | E347-T354 HydrophobicContact CG-CG2 4.02Å; E347-T354 WeakPolarHBondContact OE1-CG2 3.03Å; E347-T354 PolarHBondContact OE1-OG1 2.86Å; L348-T354 CarbonylContact O-C 3.4Å; L348-T354 WeakPolarHBondContact O-CA 2.98Å |
| 355 | L | 95.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | trans | -110.2 | 121.6 | 178.1 | -168.3 | 66.3 | 0 | 0 | 0 | 110.1 | L348 R350 Q353 F357 M363 L365 | L348-L355 HydrophobicContact CD2-CB 4.24Å; L348-L355 HydrophobicContact CD2-CD2 3.83Å; L348-L355 PolarHBondContact O-N 2.79Å; R350-L355 HydrophobicContact CB-CB 4.49Å; R350-L355 HydrophobicContact CB-CD2 4.4Å; Q353-L355 PolarHBondContact O-N 3.04Å; L355-F357 HydrophobicContact CD2-CE2 3.88Å; L355-F357 HydrophobicContact CD2-CZ 4.14Å; L355-F357 HydrophobicContact CG-CE2 4.04Å; L355-M363 HydrophobicContact CD1-CE 4.2Å; L355-M363 HydrophobicContact CD1-SD 3.81Å; L355-M363 HydrophobicContact CD2-CE 4.31Å; L355-M363 HydrophobicContact CD2-SD 3.74Å; L355-M363 HydrophobicContact CG-CE 3.95Å; L355-M363 HydrophobicContact CG-SD 3.86Å; L355-L365 HydrophobicContact CD2-CD1 3.85Å; L355-L365 HydrophobicContact CD2-CD2 4.49Å | ||
| 356 | S | 92.8 | Very high | 94 | Very high | 80 Ų | 80 | 71.5 Ų | 71.5 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | trans | -95.7 | 128.5 | -175.6 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | A358 M363 | S356-A358 WeakPolarHBondContact OG-CB 3.28Å; S356-A358 PolarHBondContact OG-N 3.41Å; S356-M363 WeakPolarHBondContact O-CE 3.41Å | ||
| 357 | F | 92.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | trans | -102.4 | 28.8 | 173.3 | -74 | -101.5 | 0 | 0 | 0 | 112.1 | L348 L355 E359 Q360 M363 V370 | L348-F357 HydrophobicContact CB-CE2 4.47Å; L348-F357 HydrophobicContact CD2-CE2 3.53Å; L348-F357 HydrophobicContact CD2-CZ 4.04Å; L355-F357 HydrophobicContact CD2-CE2 3.88Å; L355-F357 HydrophobicContact CD2-CZ 4.14Å; L355-F357 HydrophobicContact CG-CE2 4.04Å; F357-E359 VanDerWaalsContact C-N 3.31Å; F357-E359 PolarHBondContact O-N 2.97Å; F357-Q360 CarbonylContact C-O 3.54Å; F357-Q360 WeakPolarHBondContact CA-O 3.21Å; F357-Q360 WeakPolarHBondContact CB-O 3.18Å; F357-Q360 WeakPolarHBondContact CD1-O 3.19Å; F357-Q360 VanDerWaalsContact O-O 3.06Å; F357-M363 HydrophobicContact CD1-CE 4.01Å; F357-M363 HydrophobicContact CD2-CE 4.01Å; F357-M363 HydrophobicContact CE1-CE 3.95Å; F357-M363 HydrophobicContact CE1-CG 3.91Å; F357-M363 HydrophobicContact CE2-CE 3.9Å; F357-M363 HydrophobicContact CG-CE 4.05Å; F357-M363 HydrophobicContact CZ-CE 3.88Å; F357-M363 HydrophobicContact CZ-CG 4.07Å; F357-M363 HydrophobicContact CZ-SD 4.26Å; F357-V370 HydrophobicContact CE1-CG1 4.45Å; F357-V370 HydrophobicContact CE2-CG1 4.45Å; F357-V370 HydrophobicContact CZ-CB 4.1Å; F357-V370 HydrophobicContact CZ-CG1 3.72Å | ||
| 358 | A | 88.4 | Confident | 93.8 | Very high | 88 Ų | 88 | 70 Ų | 70 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -69.2 | -28.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S356 | S356-A358 WeakPolarHBondContact OG-CB 3.28Å; S356-A358 PolarHBondContact OG-N 3.41Å |
| 359 | E | 86.4 | Confident | 93.8 | Very high | 182 Ų | 182 | 69.7 Ų | 69.7 | 85% | 0.85 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -107.3 | -22 | -174.8 | -63.6 | -179.7 | -175.6 | 0 | 0 | 113.3 | F357 | F357-E359 VanDerWaalsContact C-N 3.31Å; F357-E359 PolarHBondContact O-N 2.97Å |
| 360 | Q | 90.2 | Very high | 93.8 | Very high | 87 Ų | 87 | 69.6 Ų | 69.6 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | trans | -142.5 | 155 | -177.6 | 59.3 | -121.8 | 10 | 0 | 0 | 111.1 | F357 M363 | F357-Q360 CarbonylContact C-O 3.54Å; F357-Q360 WeakPolarHBondContact CA-O 3.21Å; F357-Q360 WeakPolarHBondContact CB-O 3.18Å; F357-Q360 WeakPolarHBondContact CD1-O 3.19Å; F357-Q360 VanDerWaalsContact O-O 3.06Å; Q360-M363 HydrophobicContact CG-CE 3.81Å; Q360-M363 HydrophobicContact CG-CG 4.05Å; Q360-M363 PolarHBondContact NE2-SD 3.4Å; Q360-M363 VanDerWaalsContact NE2-SD 3.44Å | ||
| 361 | T | 91.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 67.6 Ų | 67.6 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -98.1 | -11.3 | 179.8 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | F371 S372 | T361-F371 CarbonylContact O-C 3.02Å; T361-F371 WeakPolarHBondContact O-CD2 3.35Å; T361-S372 CarbonylContact O-C 3.46Å; T361-S372 PolarHBondContact O-N 3.46Å |
| 362 | W | 92.9 | Very high | 93.6 | Very high | 97 Ų | 97 | 64.9 Ų | 64.9 | 37% | 0.367 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 158.8 | 176.8 | 59.1 | -89.6 | 0 | 0 | 0 | 111.8 | W213 F369 V370 F371 | W213-W362 HydrophobicContact CG-CH2 4.36Å; W362-F369 HydrophobicContact CB-CE1 3.87Å; W362-F369 HydrophobicContact CB-CZ 3.7Å; W362-F369 HydrophobicContact CD2-CE2 4.16Å; W362-F369 AromaticContact CD2-CZ 3.75Å; W362-F369 HydrophobicContact CD2-CZ 3.75Å; W362-F369 HydrophobicContact CE3-CD2 4.46Å; W362-F369 AromaticContact CE3-CE2 3.37Å; W362-F369 HydrophobicContact CE3-CE2 3.37Å; W362-F369 AromaticContact CE3-CZ 3.44Å; W362-F369 HydrophobicContact CE3-CZ 3.44Å; W362-F369 VanDerWaalsContact CE3-CZ 3.44Å; W362-F369 AromaticContact CG-CZ 3.89Å; W362-F369 HydrophobicContact CG-CZ 3.89Å; W362-F369 AromaticContact CZ3-CE2 3.82Å; W362-F369 HydrophobicContact CZ3-CE2 3.82Å; W362-F369 HydrophobicContact CZ3-CZ 4.26Å; W362-V370 CarbonylContact C-O 3.56Å; W362-V370 WeakPolarHBondContact CA-O 3.44Å; W362-F371 HydrophobicContact CB-CD2 4.01Å |
| 363 | M | 92.4 | Very high | 93.4 | Very high | 20 Ų | 20 | 60.9 Ų | 60.9 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 136.8 | 174.4 | -57.8 | -170.4 | -156.8 | 0 | 0 | 110.7 | L355 S356 F357 Q360 L365 V370 | L355-M363 HydrophobicContact CD1-CE 4.2Å; L355-M363 HydrophobicContact CD1-SD 3.81Å; L355-M363 HydrophobicContact CD2-CE 4.31Å; L355-M363 HydrophobicContact CD2-SD 3.74Å; L355-M363 HydrophobicContact CG-CE 3.95Å; L355-M363 HydrophobicContact CG-SD 3.86Å; S356-M363 WeakPolarHBondContact O-CE 3.41Å; F357-M363 HydrophobicContact CD1-CE 4.01Å; F357-M363 HydrophobicContact CD2-CE 4.01Å; F357-M363 HydrophobicContact CE1-CE 3.95Å; F357-M363 HydrophobicContact CE1-CG 3.91Å; F357-M363 HydrophobicContact CE2-CE 3.9Å; F357-M363 HydrophobicContact CG-CE 4.05Å; F357-M363 HydrophobicContact CZ-CE 3.88Å; F357-M363 HydrophobicContact CZ-CG 4.07Å; F357-M363 HydrophobicContact CZ-SD 4.26Å; Q360-M363 HydrophobicContact CG-CE 3.81Å; Q360-M363 HydrophobicContact CG-CG 4.05Å; Q360-M363 PolarHBondContact NE2-SD 3.4Å; Q360-M363 VanDerWaalsContact NE2-SD 3.44Å; M363-L365 HydrophobicContact CB-CD2 4.16Å; M363-L365 HydrophobicContact CB-CG 4.31Å; M363-V370 PolarHBondContact N-O 3.47Å; M363-V370 PolarHBondContact O-N 2.94Å |
| 364 | D | 90.5 | Very high | 93.2 | Very high | 60 Ų | 60 | 58 Ų | 58 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116 | 165.2 | -171.4 | 19.7 | 0 | 0 | 0 | 109.3 | F218 F369 | F218-D364 WeakPolarHBondContact CZ-OD2 3.43Å; D364-F369 HydrophobicContact CB-CD2 3.96Å; D364-F369 HydrophobicContact CB-CE2 4.42Å |
| 365 | L | 93.3 | Very high | 93.1 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -175.7 | -177.2 | -56.2 | 175.2 | 0 | 0 | 0 | 109.4 | I336 R350 L355 M363 G367 V368 V370 | I336-L365 HydrophobicContact CD1-CD1 3.72Å; R350-L365 HydrophobicContact CG-CD1 4.26Å; L355-L365 HydrophobicContact CD2-CD1 3.85Å; L355-L365 HydrophobicContact CD2-CD2 4.49Å; M363-L365 HydrophobicContact CB-CD2 4.16Å; M363-L365 HydrophobicContact CB-CG 4.31Å; L365-G367 PolarHBondContact O-N 2.88Å; L365-V368 WeakPolarHBondContact CA-O 3.49Å; L365-V368 HydrophobicContact CB-CG1 3.82Å; L365-V368 WeakPolarHBondContact CB-O 3.13Å; L365-V368 HydrophobicContact CD1-CG1 4.34Å; L365-V368 PolarHBondContact N-O 2.82Å; L365-V370 HydrophobicContact CD1-CG2 4.01Å |
| 366 | Q | 93.7 | Very high | 93.1 | Very high | 115 Ų | 115 | 57.7 Ų | 57.7 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 108.4 | 179.2 | -179 | 177.1 | -34 | 0 | 0 | 109.9 | S332 S333 D334 V368 | S332-Q366 PolarHBondContact O-NE2 2.96Å; S333-Q366 CarbonylContact C-O 3.59Å; S333-Q366 WeakPolarHBondContact CA-O 3.25Å; S333-Q366 WeakPolarHBondContact CB-O 3.33Å; D334-Q366 PolarHBondContact N-O 2.91Å; D334-Q366 WeakPolarHBondContact OD2-CB 3.42Å; D334-Q366 PolarHBondContact OD2-N 2.81Å; D334-Q366 VanDerWaalsContact OD2-N 3.11Å; Q366-V368 PolarHBondContact O-N 3.48Å |
| 367 | G | 93.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 21.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S333 L365 P383 | S333-G367 WeakPolarHBondContact CB-O 3.21Å; L365-G367 PolarHBondContact O-N 2.88Å; G367-P383 WeakPolarHBondContact O-CD 3.45Å |
| 368 | V | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 134.9 | 179.2 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | D334 I336 L365 Q366 V370 V380 F382 | D334-V368 HydrophobicContact CB-CG1 4.1Å; I336-V368 HydrophobicContact CD1-CG1 4.07Å; I336-V368 HydrophobicContact CG1-CG1 3.99Å; I336-V368 HydrophobicContact CG1-CG2 4.08Å; L365-V368 WeakPolarHBondContact CA-O 3.49Å; L365-V368 HydrophobicContact CB-CG1 3.82Å; L365-V368 WeakPolarHBondContact CB-O 3.13Å; L365-V368 HydrophobicContact CD1-CG1 4.34Å; L365-V368 PolarHBondContact N-O 2.82Å; Q366-V368 PolarHBondContact O-N 3.48Å; V368-V370 HydrophobicContact CG2-CG2 4.33Å; V368-V380 HydrophobicContact CG2-CG1 3.33Å; V368-F382 HydrophobicContact CB-CD1 4.01Å; V368-F382 HydrophobicContact CB-CE1 3.85Å; V368-F382 HydrophobicContact CG2-CD1 3.81Å; V368-F382 HydrophobicContact CG2-CE1 3.51Å; V368-F382 HydrophobicContact CG2-CZ 4.05Å |
| 369 | F | 96.2 | Very high | 94 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.7 | 173.3 | -171.6 | -82.7 | 0 | 0 | 0 | 109.1 | I175 W213 W362 D364 F371 M381 | I175-F369 HydrophobicContact CG2-CB 3.71Å; I175-F369 HydrophobicContact CG2-CD1 3.94Å; I175-F369 HydrophobicContact CG2-CD2 4.06Å; I175-F369 HydrophobicContact CG2-CG 3.65Å; W213-F369 HydrophobicContact CD2-CE2 4.39Å; W213-F369 HydrophobicContact CE3-CD2 4.45Å; W213-F369 AromaticContact CE3-CE2 3.68Å; W213-F369 HydrophobicContact CE3-CE2 3.68Å; W213-F369 HydrophobicContact CE3-CZ 4.04Å; W213-F369 HydrophobicContact CH2-CE2 4.42Å; W213-F369 AromaticContact CH2-CZ 3.94Å; W213-F369 HydrophobicContact CH2-CZ 3.94Å; W213-F369 HydrophobicContact CZ3-CD2 4.47Å; W213-F369 HydrophobicContact CZ3-CE1 4.33Å; W213-F369 AromaticContact CZ3-CE2 3.69Å; W213-F369 HydrophobicContact CZ3-CE2 3.69Å; W213-F369 AromaticContact CZ3-CZ 3.61Å; W213-F369 HydrophobicContact CZ3-CZ 3.61Å; W362-F369 HydrophobicContact CB-CE1 3.87Å; W362-F369 HydrophobicContact CB-CZ 3.7Å; W362-F369 HydrophobicContact CD2-CE2 4.16Å; W362-F369 AromaticContact CD2-CZ 3.75Å; W362-F369 HydrophobicContact CD2-CZ 3.75Å; W362-F369 HydrophobicContact CE3-CD2 4.46Å; W362-F369 AromaticContact CE3-CE2 3.37Å; W362-F369 HydrophobicContact CE3-CE2 3.37Å; W362-F369 AromaticContact CE3-CZ 3.44Å; W362-F369 HydrophobicContact CE3-CZ 3.44Å; W362-F369 VanDerWaalsContact CE3-CZ 3.44Å; W362-F369 AromaticContact CG-CZ 3.89Å; W362-F369 HydrophobicContact CG-CZ 3.89Å; W362-F369 AromaticContact CZ3-CE2 3.82Å; W362-F369 HydrophobicContact CZ3-CE2 3.82Å; W362-F369 HydrophobicContact CZ3-CZ 4.26Å; D364-F369 HydrophobicContact CB-CD2 3.96Å; D364-F369 HydrophobicContact CB-CE2 4.42Å; F369-F371 HydrophobicContact CE1-CB 4.41Å; F369-M381 HydrophobicContact CB-CB 4.32Å; F369-M381 HydrophobicContact CD1-CE 3.48Å; F369-M381 VanDerWaalsContact CD1-CE 3.48Å; F369-M381 HydrophobicContact CD1-SD 3.98Å; F369-M381 HydrophobicContact CE1-CE 4.08Å; F369-M381 PolarHBondContact N-O 2.74Å; F369-M381 PolarHBondContact O-N 3.39Å |
| 370 | V | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130 | -178.2 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | I336 L348 F357 W362 M363 L365 V368 V378 T379 V380 | I336-V370 HydrophobicContact CD1-CG2 4.07Å; I336-V370 HydrophobicContact CG1-CG2 4.12Å; L348-V370 HydrophobicContact CD1-CG1 4.42Å; L348-V370 HydrophobicContact CD2-CG1 3.73Å; F357-V370 HydrophobicContact CE1-CG1 4.45Å; F357-V370 HydrophobicContact CE2-CG1 4.45Å; F357-V370 HydrophobicContact CZ-CB 4.1Å; F357-V370 HydrophobicContact CZ-CG1 3.72Å; W362-V370 CarbonylContact C-O 3.56Å; W362-V370 WeakPolarHBondContact CA-O 3.44Å; M363-V370 PolarHBondContact N-O 3.47Å; M363-V370 PolarHBondContact O-N 2.94Å; L365-V370 HydrophobicContact CD1-CG2 4.01Å; V368-V370 HydrophobicContact CG2-CG2 4.33Å; V370-V378 HydrophobicContact CG1-CG1 4.16Å; V370-T379 WeakPolarHBondContact CA-O 3.49Å; V370-V380 HydrophobicContact CG1-CG2 4.42Å; V370-V380 HydrophobicContact CG2-CG1 4.42Å; V370-V380 HydrophobicContact CG2-CG2 4.5Å |
| 371 | F | 96.7 | Very high | 95 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.4 | 176.8 | 177 | -125.8 | 0 | 0 | 0 | 110.5 | H149 T361 W362 F369 P373 V378 T379 M381 | H149-F371 AromaticContact NE2-CD1 3.93Å; H149-F371 AromaticContact NE2-CD2 3.53Å; H149-F371 AromaticContact NE2-CE1 3.97Å; H149-F371 AromaticContact NE2-CE2 3.58Å; H149-F371 AromaticContact NE2-CG 3.71Å; H149-F371 AromaticContact NE2-CZ 3.79Å; T361-F371 CarbonylContact O-C 3.02Å; T361-F371 WeakPolarHBondContact O-CD2 3.35Å; W362-F371 HydrophobicContact CB-CD2 4.01Å; F369-F371 HydrophobicContact CE1-CB 4.41Å; F371-P373 HydrophobicContact CD1-CG 4.32Å; F371-P373 HydrophobicContact CE1-CB 4.18Å; F371-P373 HydrophobicContact CE1-CG 3.64Å; F371-P373 HydrophobicContact CE2-CB 3.89Å; F371-P373 HydrophobicContact CE2-CG 4.17Å; F371-P373 HydrophobicContact CZ-CB 3.56Å; F371-P373 HydrophobicContact CZ-CG 3.56Å; F371-V378 CarbonylContact O-C 3.53Å; F371-V378 WeakPolarHBondContact O-CA 3.48Å; F371-T379 PolarHBondContact N-O 2.77Å; F371-T379 PolarHBondContact O-N 2.8Å; F371-M381 HydrophobicContact CB-CE 3.67Å |
| 372 | S | 96.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 84.4 | 177.7 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | T361 I374 N377 | T361-S372 CarbonylContact O-C 3.46Å; T361-S372 PolarHBondContact O-N 3.46Å; S372-I374 VanDerWaalsContact C-N 3.29Å; S372-I374 PolarHBondContact O-N 2.93Å; S372-I374 PolarHBondContact OG-O 3.25Å; S372-N377 WeakPolarHBondContact CA-O 3.39Å; S372-N377 PolarHBondContact OG-O 2.83Å |
| 373 | P | 91.9 | Very high | 95.4 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -26.2 | -178 | 27.7 | -33.6 | 0 | 0 | 0 | 112.7 | F371 | F371-P373 HydrophobicContact CD1-CG 4.32Å; F371-P373 HydrophobicContact CE1-CB 4.18Å; F371-P373 HydrophobicContact CE1-CG 3.64Å; F371-P373 HydrophobicContact CE2-CB 3.89Å; F371-P373 HydrophobicContact CE2-CG 4.17Å; F371-P373 HydrophobicContact CZ-CB 3.56Å; F371-P373 HydrophobicContact CZ-CG 3.56Å |
| 374 | I | 93.1 | Very high | 95.5 | Very high | 89 Ų | 89 | 33.3 Ų | 33.3 | 46% | 0.456 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156.5 | 178.2 | 59.4 | 174.7 | 0 | 0 | 0 | 108.7 | S372 T376 N377 | S372-I374 VanDerWaalsContact C-N 3.29Å; S372-I374 PolarHBondContact O-N 2.93Å; S372-I374 PolarHBondContact OG-O 3.25Å; I374-T376 WeakPolarHBondContact CD1-OG1 3.29Å; I374-T376 PolarHBondContact O-N 3.09Å; I374-N377 HydrophobicContact CD1-CB 4.49Å; I374-N377 HydrophobicContact CG1-CB 3.93Å; I374-N377 PolarHBondContact O-N 2.83Å; I374-N377 VanDerWaalsContact O-N 3.12Å |
| 375 | S | 93.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 30.8 Ų | 30.8 | 55% | 0.545 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -5.3 | -175 | 60.5 | 0 | 0 | 0 | 0 | 115.6 | G345 L346 | G345-S375 CarbonylContact C-O 3.25Å; L346-S375 WeakPolarHBondContact CB-O 3.3Å; L346-S375 PolarHBondContact N-O 3.08Å |
| 376 | T | 95.8 | Very high | 96.1 | Very high | 37 Ų | 37 | 29.6 Ų | 29.6 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -3.6 | -179.7 | 54.7 | 0 | 0 | 0 | 0 | 114 | L346 I374 R391 R392 | L346-T376 WeakPolarHBondContact CD1-O 3.26Å; I374-T376 WeakPolarHBondContact CD1-OG1 3.29Å; I374-T376 PolarHBondContact O-N 3.09Å; T376-R391 WeakPolarHBondContact O-CA 3.18Å; T376-R392 HydrophobicContact CG2-CB 4.3Å; T376-R392 PolarHBondContact O-N 2.57Å |
| 377 | N | 96.8 | Very high | 96.3 | Very high | 34 Ų | 34 | 24.1 Ų | 24.1 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.7 | -178.5 | -68.4 | -2.3 | 0 | 0 | 0 | 110 | S372 I374 R391 R393 | S372-N377 WeakPolarHBondContact CA-O 3.39Å; S372-N377 PolarHBondContact OG-O 2.83Å; I374-N377 HydrophobicContact CD1-CB 4.49Å; I374-N377 HydrophobicContact CG1-CB 3.93Å; I374-N377 PolarHBondContact O-N 2.83Å; I374-N377 VanDerWaalsContact O-N 3.12Å; N377-R391 VanDerWaalsContact OD1-CD 3.26Å; N377-R391 WeakPolarHBondContact OD1-CD 3.34Å; N377-R393 PolarHBondContact OD1-NH1 2.94Å |
| 378 | V | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.3 | 172.7 | 174.3 | 0 | 0 | 0 | 0 | 109.3 | V338 L346 L348 V370 F371 V380 V390 R391 | V338-V378 HydrophobicContact CG1-CB 4.2Å; V338-V378 HydrophobicContact CG1-CG1 4.49Å; V338-V378 HydrophobicContact CG1-CG2 4.02Å; V338-V378 HydrophobicContact CG2-CB 4.48Å; V338-V378 HydrophobicContact CG2-CG1 3.94Å; L346-V378 HydrophobicContact CB-CG2 4.35Å; L346-V378 HydrophobicContact CD1-CB 4.45Å; L346-V378 HydrophobicContact CD1-CG2 3.98Å; L348-V378 HydrophobicContact CD1-CB 4.25Å; L348-V378 HydrophobicContact CD1-CG1 3.39Å; L348-V378 HydrophobicContact CD1-CG2 3.91Å; V370-V378 HydrophobicContact CG1-CG1 4.16Å; F371-V378 CarbonylContact O-C 3.53Å; F371-V378 WeakPolarHBondContact O-CA 3.48Å; V378-V380 HydrophobicContact CG1-CG2 4Å; V378-V390 HydrophobicContact CB-CB 4.44Å; V378-V390 PolarHBondContact N-O 3.46Å; V378-V390 PolarHBondContact O-N 3.19Å; V378-R391 PolarHBondContact O-NH1 2.78Å |
| 379 | T | 98.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.3 | 168.3 | -56 | 0 | 0 | 0 | 0 | 108.5 | V370 F371 M381 V388 E389 R391 | V370-T379 WeakPolarHBondContact CA-O 3.49Å; F371-T379 PolarHBondContact N-O 2.77Å; F371-T379 PolarHBondContact O-N 2.8Å; T379-M381 HydrophobicContact CG2-CE 3.77Å; T379-M381 HydrophobicContact CG2-CG 3.96Å; T379-M381 HydrophobicContact CG2-SD 3.95Å; T379-M381 WeakPolarHBondContact O-CE 2.97Å; T379-V388 CarbonylContact C-O 3.58Å; T379-V388 WeakPolarHBondContact CA-O 3.41Å; T379-E389 HydrophobicContact CG2-CG 4.28Å; T379-R391 PolarHBondContact OG1-NH1 3.4Å; T379-R391 PolarHBondContact OG1-NH2 2.85Å |
| 380 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.3 | 176 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | M328 I336 V368 V370 V378 F382 G387 V388 | M328-V380 HydrophobicContact CG-CB 4.44Å; M328-V380 HydrophobicContact CG-CG1 4.05Å; M328-V380 HydrophobicContact SD-CB 3.73Å; M328-V380 HydrophobicContact SD-CG1 4.01Å; M328-V380 HydrophobicContact SD-CG2 3.65Å; I336-V380 HydrophobicContact CB-CG1 4.33Å; I336-V380 HydrophobicContact CB-CG2 4.45Å; I336-V380 HydrophobicContact CG1-CG1 4.17Å; I336-V380 HydrophobicContact CG2-CG2 3.82Å; V368-V380 HydrophobicContact CG2-CG1 3.33Å; V370-V380 HydrophobicContact CG1-CG2 4.42Å; V370-V380 HydrophobicContact CG2-CG1 4.42Å; V370-V380 HydrophobicContact CG2-CG2 4.5Å; V378-V380 HydrophobicContact CG1-CG2 4Å; V380-F382 HydrophobicContact CG1-CE1 4.48Å; V380-F382 HydrophobicContact CG1-CE2 3.94Å; V380-F382 HydrophobicContact CG1-CZ 3.87Å; V380-G387 CarbonylContact O-C 3.6Å; V380-G387 WeakPolarHBondContact O-CA 3.25Å; V380-V388 HydrophobicContact CB-CB 4.46Å; V380-V388 PolarHBondContact N-O 3.45Å; V380-V388 PolarHBondContact O-N 2.85Å |
| 381 | M | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.1 | -170.6 | -67.8 | 142.1 | -78.2 | 0 | 0 | 110.2 | T145 I175 F369 F371 T379 | T145-M381 WeakPolarHBondContact O-CG 3.44Å; T145-M381 VanDerWaalsContact O-SD 3.38Å; I175-M381 HydrophobicContact CD1-CB 4Å; I175-M381 HydrophobicContact CD1-CG 3.61Å; I175-M381 HydrophobicContact CD1-SD 3.21Å; I175-M381 WeakPolarHBondContact CD1-SD 3.15Å; I175-M381 HydrophobicContact CG1-SD 4.09Å; I175-M381 HydrophobicContact CG2-CB 4.37Å; F369-M381 HydrophobicContact CB-CB 4.32Å; F369-M381 HydrophobicContact CD1-CE 3.48Å; F369-M381 VanDerWaalsContact CD1-CE 3.48Å; F369-M381 HydrophobicContact CD1-SD 3.98Å; F369-M381 HydrophobicContact CE1-CE 4.08Å; F369-M381 PolarHBondContact N-O 2.74Å; F369-M381 PolarHBondContact O-N 3.39Å; F371-M381 HydrophobicContact CB-CE 3.67Å; T379-M381 HydrophobicContact CG2-CE 3.77Å; T379-M381 HydrophobicContact CG2-CG 3.96Å; T379-M381 HydrophobicContact CG2-SD 3.95Å; T379-M381 WeakPolarHBondContact O-CE 2.97Å |
| 382 | F | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -110.9 | 156.6 | -174.7 | -67.8 | -73.6 | 0 | 0 | 0 | 113.1 | L302 M328 E330 V368 V380 S384 G385 A386 | L302-F382 HydrophobicContact CD1-CD2 3.83Å; L302-F382 HydrophobicContact CD1-CE2 3.94Å; L302-F382 HydrophobicContact CD1-CG 4.42Å; M328-F382 HydrophobicContact CB-CE2 4.23Å; M328-F382 HydrophobicContact CB-CZ 4.12Å; M328-F382 HydrophobicContact CG-CE2 4.02Å; M328-F382 HydrophobicContact CG-CZ 3.8Å; E330-F382 HydrophobicContact CB-CB 4.05Å; E330-F382 HydrophobicContact CB-CD1 3.38Å; E330-F382 HydrophobicContact CB-CE1 3.87Å; E330-F382 HydrophobicContact CB-CG 3.75Å; E330-F382 HydrophobicContact CG-CB 4.48Å; V368-F382 HydrophobicContact CB-CD1 4.01Å; V368-F382 HydrophobicContact CB-CE1 3.85Å; V368-F382 HydrophobicContact CG2-CD1 3.81Å; V368-F382 HydrophobicContact CG2-CE1 3.51Å; V368-F382 HydrophobicContact CG2-CZ 4.05Å; V380-F382 HydrophobicContact CG1-CE1 4.48Å; V380-F382 HydrophobicContact CG1-CE2 3.94Å; V380-F382 HydrophobicContact CG1-CZ 3.87Å; F382-S384 PolarHBondContact O-N 3.48Å; F382-S384 VanDerWaalsContact O-N 3.16Å; F382-G385 WeakPolarHBondContact O-CA 3.36Å; F382-G385 PolarHBondContact O-N 3.34Å; F382-A386 HydrophobicContact CB-CB 4.38Å; F382-A386 HydrophobicContact CD2-CB 4.35Å; F382-A386 PolarHBondContact N-O 3.39Å | ||
| 383 | P | 94.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 26.9 Ų | 26.9 | 46% | 0.461 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -28.7 | 178.3 | -29.8 | 36.6 | 0 | 0 | 0 | 115.8 | E330 G367 G385 | E330-P383 WeakPolarHBondContact OE1-CD 3.19Å; G367-P383 WeakPolarHBondContact O-CD 3.45Å; P383-G385 PolarHBondContact O-N 2.87Å |
| 384 | S | 95.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 20% | 0.203 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -10.8 | 172.6 | 67.2 | 0 | 0 | 0 | 0 | 114.6 | E330 F382 A386 F407 | E330-S384 WeakPolarHBondContact OE1-CB 3.49Å; E330-S384 PolarHBondContact OE1-N 2.9Å; E330-S384 PolarHBondContact OE1-OG 2.83Å; E330-S384 WeakPolarHBondContact OE2-CB 3.5Å; E330-S384 PolarHBondContact OE2-OG 3.42Å; F382-S384 PolarHBondContact O-N 3.48Å; F382-S384 VanDerWaalsContact O-N 3.16Å; S384-A386 WeakPolarHBondContact OG-CB 3.01Å; S384-A386 PolarHBondContact OG-N 2.98Å; S384-F407 VanDerWaalsContact OG-CZ 3.3Å; S384-F407 WeakPolarHBondContact OG-CZ 3.39Å |
| 385 | G | 96.9 | Very high | 95.9 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 87 | 3.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G146 F382 P383 P404 | G146-G385 CarbonylContact C-O 3.56Å; F382-G385 WeakPolarHBondContact O-CA 3.36Å; F382-G385 PolarHBondContact O-N 3.34Å; P383-G385 PolarHBondContact O-N 2.87Å; G385-P404 WeakPolarHBondContact O-CD 3.41Å; G385-P404 WeakPolarHBondContact O-CG 3.14Å |
| 386 | A | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -66.1 | 131 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L302 F382 S384 L402 L403 F407 | L302-A386 HydrophobicContact CD1-CB 4.24Å; L302-A386 HydrophobicContact CD2-CB 3.72Å; F382-A386 HydrophobicContact CB-CB 4.38Å; F382-A386 HydrophobicContact CD2-CB 4.35Å; F382-A386 PolarHBondContact N-O 3.39Å; S384-A386 WeakPolarHBondContact OG-CB 3.01Å; S384-A386 PolarHBondContact OG-N 2.98Å; A386-L402 WeakPolarHBondContact CA-O 3.13Å; A386-L403 HydrophobicContact CB-CD2 3.67Å; A386-F407 HydrophobicContact CB-CE2 4.27Å; A386-F407 HydrophobicContact CB-CZ 3.97Å | ||
| 387 | G | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V380 V401 L402 | V380-G387 CarbonylContact O-C 3.6Å; V380-G387 WeakPolarHBondContact O-CA 3.25Å; G387-V401 CarbonylContact O-C 3.49Å; G387-V401 WeakPolarHBondContact O-CA 3.25Å; G387-L402 PolarHBondContact N-O 3Å; G387-L402 PolarHBondContact O-N 3.23Å |
| 388 | V | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.3 | 171.9 | -174.3 | 0 | 0 | 0 | 0 | 109 | V304 M328 T379 V380 V390 T399 T400 V401 | V304-V388 HydrophobicContact CG1-CG1 4.49Å; V304-V388 HydrophobicContact CG2-CG2 4Å; M328-V388 HydrophobicContact CE-CG1 4.47Å; M328-V388 HydrophobicContact SD-CB 3.66Å; M328-V388 HydrophobicContact SD-CG1 3.66Å; M328-V388 HydrophobicContact SD-CG2 4Å; T379-V388 CarbonylContact C-O 3.58Å; T379-V388 WeakPolarHBondContact CA-O 3.41Å; V380-V388 HydrophobicContact CB-CB 4.46Å; V380-V388 PolarHBondContact N-O 3.45Å; V380-V388 PolarHBondContact O-N 2.85Å; V388-V390 HydrophobicContact CG1-CG2 4.37Å; V388-T399 HydrophobicContact CG1-CG2 3.9Å; V388-T400 CarbonylContact C-O 3.59Å; V388-T400 WeakPolarHBondContact CA-O 3.41Å; V388-V401 HydrophobicContact CG2-CG2 4.49Å |
| 389 | E | 98.8 | Very high | 95.9 | Very high | 24 Ų | 24 | 20 Ų | 20 | 11% | 0.112 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.6 | 175.9 | -55.5 | -160.4 | 145.1 | 0 | 0 | 110.6 | T145 T379 R391 T399 T400 | T145-E389 WeakPolarHBondContact CB-OE1 3.37Å; T145-E389 VanDerWaalsContact CG2-OE1 3.3Å; T145-E389 WeakPolarHBondContact CG2-OE1 3.44Å; T145-E389 PolarHBondContact OG1-OE1 3.12Å; T379-E389 HydrophobicContact CG2-CG 4.28Å; E389-R391 IonicContact OE1-NH2 3.68Å; E389-R391 PolarHBondContact OE1-NH2 3.26Å; E389-R391 VanDerWaalsContact OE1-NH2 3.12Å; E389-R391 IonicContact OE2-CZ 3.92Å; E389-R391 IonicContact OE2-NE 3.54Å; E389-R391 IonicContact OE2-NH2 2.68Å; E389-R391 PolarHBondContact OE2-NH2 2.83Å; E389-T399 CarbonylContact O-C 3.6Å; E389-T399 VanDerWaalsContact O-CA 3.23Å; E389-T399 WeakPolarHBondContact O-CA 3.17Å; E389-T400 PolarHBondContact N-O 2.89Å; E389-T400 PolarHBondContact O-N 3.43Å |
| 390 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.5 | 171.6 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | V326 V338 L346 V378 V388 M397 T398 T399 | V326-V390 HydrophobicContact CB-CG2 4.41Å; V338-V390 HydrophobicContact CB-CB 4.36Å; V338-V390 HydrophobicContact CB-CG1 4.24Å; V338-V390 HydrophobicContact CB-CG2 4.12Å; V338-V390 HydrophobicContact CG1-CB 4.07Å; V338-V390 HydrophobicContact CG1-CG1 3.84Å; V338-V390 HydrophobicContact CG1-CG2 4.38Å; V338-V390 HydrophobicContact CG2-CB 4.49Å; V338-V390 HydrophobicContact CG2-CG2 3.99Å; L346-V390 HydrophobicContact CD1-CB 4.43Å; L346-V390 HydrophobicContact CD1-CG1 4.01Å; L346-V390 HydrophobicContact CD2-CG1 4.28Å; V378-V390 HydrophobicContact CB-CB 4.44Å; V378-V390 PolarHBondContact N-O 3.46Å; V378-V390 PolarHBondContact O-N 3.19Å; V388-V390 HydrophobicContact CG1-CG2 4.37Å; V390-M397 HydrophobicContact CG1-CG 3.55Å; V390-M397 HydrophobicContact CG1-SD 3.47Å; V390-M397 WeakPolarHBondContact CG1-SD 3.44Å; V390-T398 WeakPolarHBondContact CA-O 3.25Å; V390-T399 HydrophobicContact CG2-CG2 4.47Å |
| 391 | R | 97.7 | Very high | 95.9 | Very high | 31 Ų | 31 | 20.2 Ų | 20.2 | 12% | 0.117 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 120.6 | -176.5 | -57.4 | -65.1 | 176.9 | -104 | 1 | 109.1 | T376 N377 V378 T379 E389 T398 | T376-R391 WeakPolarHBondContact O-CA 3.18Å; N377-R391 VanDerWaalsContact OD1-CD 3.26Å; N377-R391 WeakPolarHBondContact OD1-CD 3.34Å; V378-R391 PolarHBondContact O-NH1 2.78Å; T379-R391 PolarHBondContact OG1-NH1 3.4Å; T379-R391 PolarHBondContact OG1-NH2 2.85Å; E389-R391 IonicContact OE1-NH2 3.68Å; E389-R391 PolarHBondContact OE1-NH2 3.26Å; E389-R391 VanDerWaalsContact OE1-NH2 3.12Å; E389-R391 IonicContact OE2-CZ 3.92Å; E389-R391 IonicContact OE2-NE 3.54Å; E389-R391 IonicContact OE2-NH2 2.68Å; E389-R391 PolarHBondContact OE2-NH2 2.83Å; R391-T398 PolarHBondContact N-O 2.9Å; R391-T398 PolarHBondContact O-N 2.84Å |
| 392 | R | 95.7 | Very high | 95.9 | Very high | 27 Ų | 27 | 20.1 Ų | 20.1 | 10% | 0.102 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.5 | 168.8 | -172.5 | 173.3 | 175.5 | 156.5 | -3.1 | 109.3 | L340 D341 N344 G345 L346 T376 G394 | L340-R392 HydrophobicContact CD2-CG 4.21Å; D341-R392 PolarHBondContact O-NH1 3.42Å; D341-R392 VanDerWaalsContact O-NH1 3.1Å; N344-R392 PolarHBondContact O-NE 3.44Å; N344-R392 PolarHBondContact OD1-NH2 3.19Å; G345-R392 VanDerWaalsContact N-NH1 3.18Å; G345-R392 PolarHBondContact O-NH1 2.97Å; L346-R392 HydrophobicContact CD1-CB 4.46Å; L346-R392 HydrophobicContact CD2-CB 4.07Å; L346-R392 HydrophobicContact CG-CB 4.1Å; T376-R392 HydrophobicContact CG2-CB 4.3Å; T376-R392 PolarHBondContact O-N 2.57Å; R392-G394 PolarHBondContact NE-O 3.37Å |
| 393 | R | 91.3 | Very high | 96 | Very high | 73 Ų | 73 | 20.1 Ų | 20.1 | 28% | 0.275 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 97.5 | 176.3 | -63.8 | -65.3 | -176.1 | -106.4 | 3.6 | 108.2 | N377 E395 T396 A525 | N377-R393 PolarHBondContact OD1-NH1 2.94Å; R393-E395 PolarHBondContact O-N 2.97Å; R393-E395 VanDerWaalsContact O-N 3.16Å; R393-T396 PolarHBondContact N-O 2.04Å; R393-T396 PolarHBondContact O-N 2.82Å; R393-T396 VanDerWaalsContact O-N 3.12Å; R393-T396 PolarHBondContact O-OG1 2.86Å; R393-A525 HydrophobicContact CB-CB 3.82Å; R393-A525 VanDerWaalsContact O-CB 3.22Å; R393-A525 WeakPolarHBondContact O-CB 3.27Å |
| 394 | G | 86.4 | Confident | 96.1 | Very high | 55 Ų | 55 | 16.8 Ų | 16.8 | 57% | 0.567 | 9% | 0.094 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -115.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R392 | R392-G394 PolarHBondContact NE-O 3.37Š|
| 395 | E | 85.4 | Confident | 96.1 | Very high | 86 Ų | 86 | 18.4 Ų | 18.4 | 40% | 0.402 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -2.1 | -179.3 | -58.7 | -169.3 | 151.2 | 0 | 0 | 114.2 | K322 R393 I522 | K322-E395 PolarHBondContact NZ-O 2.9Å; R393-E395 PolarHBondContact O-N 2.97Å; R393-E395 VanDerWaalsContact O-N 3.16Å; E395-I522 HydrophobicContact CB-CG1 4.48Å |
| 396 | T | 90.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 155.7 | -179.8 | 66.2 | 0 | 0 | 0 | 0 | 111 | R393 I522 A525 | R393-T396 PolarHBondContact N-O 2.04Å; R393-T396 PolarHBondContact O-N 2.82Å; R393-T396 VanDerWaalsContact O-N 3.12Å; R393-T396 PolarHBondContact O-OG1 2.86Å; T396-I522 HydrophobicContact CG2-CB 4.26Å; T396-I522 HydrophobicContact CG2-CG1 4.26Å; T396-I522 HydrophobicContact CG2-CG2 3.64Å; T396-A525 HydrophobicContact CG2-CB 4.44Å; T396-A525 WeakPolarHBondContact OG1-CB 3.44Å |
| 397 | M | 95.8 | Very high | 96 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125 | 173.1 | -169 | 168.5 | 67.6 | 0 | 0 | 108.5 | L323 T324 V326 L340 L346 V390 | L323-M397 HydrophobicContact CB-CB 4.4Å; L323-M397 HydrophobicContact CB-CE 4.12Å; L323-M397 HydrophobicContact CD2-CE 3.7Å; L323-M397 HydrophobicContact CG-CE 3.49Å; L323-M397 VanDerWaalsContact CG-CE 3.49Å; T324-M397 VanDerWaalsContact C-CE 3.5Å; V326-M397 HydrophobicContact CG2-CE 3.76Å; L340-M397 HydrophobicContact CD2-CB 4.14Å; L340-M397 HydrophobicContact CD2-SD 4.31Å; L340-M397 HydrophobicContact CG-SD 4.42Å; L346-M397 HydrophobicContact CD2-CG 4.36Å; L346-M397 HydrophobicContact CD2-SD 3.81Å; V390-M397 HydrophobicContact CG1-CG 3.55Å; V390-M397 HydrophobicContact CG1-SD 3.47Å; V390-M397 WeakPolarHBondContact CG1-SD 3.44Å |
| 398 | T | 98.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135.5 | 176.3 | -64.2 | 0 | 0 | 0 | 0 | 108.7 | V269 V270 F271 V390 R391 S529 | V269-T398 HydrophobicContact CG2-CG2 3.75Å; V270-T398 CarbonylContact O-C 3.6Å; V270-T398 WeakPolarHBondContact O-CA 3.35Å; F271-T398 HydrophobicContact CB-CG2 3.92Å; V390-T398 WeakPolarHBondContact CA-O 3.25Å; R391-T398 PolarHBondContact N-O 2.9Å; R391-T398 PolarHBondContact O-N 2.84Å; T398-S529 WeakPolarHBondContact OG1-CB 3.31Å; T398-S529 PolarHBondContact OG1-OG 3.25Å |
| 399 | T | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 116.9 | 179.2 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | V269 V270 L294 L323 V326 V388 E389 V390 | V269-T399 CarbonylContact C-O 3.58Å; V269-T399 WeakPolarHBondContact CA-O 3.4Å; V270-T399 PolarHBondContact N-O 2.88Å; V270-T399 PolarHBondContact O-N 3.33Å; L294-T399 HydrophobicContact CD1-CG2 4.5Å; L323-T399 VanDerWaalsContact CD2-OG1 3.31Å; L323-T399 WeakPolarHBondContact CD2-OG1 3.43Å; V326-T399 HydrophobicContact CG1-CG2 4.12Å; V326-T399 HydrophobicContact CG2-CG2 4.14Å; V326-T399 VanDerWaalsContact CG2-OG1 3.3Å; V326-T399 WeakPolarHBondContact CG2-OG1 3.44Å; V388-T399 HydrophobicContact CG1-CG2 3.9Å; E389-T399 CarbonylContact O-C 3.6Å; E389-T399 VanDerWaalsContact O-CA 3.23Å; E389-T399 WeakPolarHBondContact O-CA 3.17Å; V390-T399 HydrophobicContact CG2-CG2 4.47Å |
| 400 | T | 98.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.4 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 109 | A268 V388 E389 L536 | A268-T400 CarbonylContact O-C 3.45Å; A268-T400 WeakPolarHBondContact O-CA 3.24Å; V388-T400 CarbonylContact C-O 3.59Å; V388-T400 WeakPolarHBondContact CA-O 3.41Å; E389-T400 PolarHBondContact N-O 2.89Å; E389-T400 PolarHBondContact O-N 3.43Å; T400-L536 HydrophobicContact CG2-CD2 3.57Å |
| 401 | V | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130 | 172.6 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | S267 A268 F279 V295 V304 G387 V388 L403 L415 | S267-V401 CarbonylContact C-O 3.57Å; S267-V401 VanDerWaalsContact CA-O 3.31Å; S267-V401 WeakPolarHBondContact CA-O 3.17Å; A268-V401 PolarHBondContact N-O 3.37Å; A268-V401 PolarHBondContact O-N 3.48Å; F279-V401 HydrophobicContact CE1-CB 4.45Å; F279-V401 HydrophobicContact CE1-CG1 4.43Å; F279-V401 HydrophobicContact CZ-CB 4.17Å; F279-V401 HydrophobicContact CZ-CG1 4.01Å; V295-V401 HydrophobicContact CG1-CG1 4.16Å; V295-V401 HydrophobicContact CG1-CG2 4.45Å; V304-V401 HydrophobicContact CG1-CG2 4.49Å; G387-V401 CarbonylContact O-C 3.49Å; G387-V401 WeakPolarHBondContact O-CA 3.25Å; V388-V401 HydrophobicContact CG2-CG2 4.49Å; V401-L403 HydrophobicContact CG1-CD2 3.87Å; V401-L403 HydrophobicContact CG1-CG 3.97Å; V401-L415 HydrophobicContact CB-CD1 3.99Å; V401-L415 HydrophobicContact CG2-CD1 3.6Å |
| 402 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.3 | 176.8 | -71.1 | 166.2 | 0 | 0 | 0 | 108.9 | A143 T145 P265 S266 A386 G387 L536 L540 | A143-L402 WeakPolarHBondContact O-CD1 3.35Å; T145-L402 WeakPolarHBondContact OG1-CD1 3.4Å; P265-L402 HydrophobicContact CB-CB 4.41Å; P265-L402 HydrophobicContact CB-CD2 4.47Å; P265-L402 HydrophobicContact CG-CD2 4.14Å; S266-L402 WeakPolarHBondContact O-CA 3.28Å; A386-L402 WeakPolarHBondContact CA-O 3.13Å; G387-L402 PolarHBondContact N-O 3Å; G387-L402 PolarHBondContact O-N 3.23Å; L402-L536 HydrophobicContact CD2-CD2 4.24Å; L402-L540 HydrophobicContact CD2-CD1 3.69Å |
| 403 | L | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.8 | -179.8 | -62.7 | -174.4 | 0 | 0 | 0 | 111.3 | P265 S266 F279 V295 L302 A386 V401 F407 T411 M418 | P265-L403 CarbonylContact C-O 3.39Å; P265-L403 VanDerWaalsContact CA-O 3.23Å; P265-L403 WeakPolarHBondContact CA-O 3.43Å; P265-L403 WeakPolarHBondContact CB-O 3.22Å; S266-L403 PolarHBondContact N-O 3.04Å; S266-L403 PolarHBondContact O-N 3.49Å; F279-L403 HydrophobicContact CE1-CB 4.16Å; F279-L403 HydrophobicContact CE1-CD1 3.84Å; F279-L403 HydrophobicContact CE1-CG 3.76Å; F279-L403 HydrophobicContact CE2-CD1 3.75Å; F279-L403 HydrophobicContact CZ-CB 4.47Å; F279-L403 HydrophobicContact CZ-CD1 3.3Å; F279-L403 HydrophobicContact CZ-CG 3.65Å; V295-L403 HydrophobicContact CG2-CD1 4.25Å; L302-L403 HydrophobicContact CD2-CD2 3.55Å; A386-L403 HydrophobicContact CB-CD2 3.67Å; V401-L403 HydrophobicContact CG1-CD2 3.87Å; V401-L403 HydrophobicContact CG1-CG 3.97Å; L403-F407 HydrophobicContact CB-CB 4.08Å; L403-F407 HydrophobicContact CB-CD2 4.18Å; L403-F407 HydrophobicContact CB-CG 4.09Å; L403-F407 HydrophobicContact CD1-CB 4.18Å; L403-F407 HydrophobicContact CD1-CD1 4.05Å; L403-F407 HydrophobicContact CD1-CG 4.16Å; L403-F407 HydrophobicContact CD2-CD1 4.18Å; L403-F407 HydrophobicContact CD2-CD2 4.38Å; L403-F407 HydrophobicContact CD2-CE1 4.14Å; L403-F407 HydrophobicContact CD2-CE2 4.36Å; L403-F407 HydrophobicContact CD2-CG 4.29Å; L403-F407 HydrophobicContact CD2-CZ 4.23Å; L403-F407 HydrophobicContact CG-CG 4.41Å; L403-T411 HydrophobicContact CD1-CG2 3.58Å; L403-M418 HydrophobicContact CB-SD 3.86Å |
| 404 | P | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | trans | -61 | 157 | 170.1 | -26.9 | 37.5 | 0 | 0 | 0 | 113.3 | R147 G385 E406 F407 M418 | R147-P404 HydrophobicContact CG-CG 4.48Å; G385-P404 WeakPolarHBondContact O-CD 3.41Å; G385-P404 WeakPolarHBondContact O-CG 3.14Å; P404-E406 WeakPolarHBondContact CB-OE2 3.43Å; P404-E406 PolarHBondContact O-N 3.42Å; P404-F407 HydrophobicContact CB-CD2 4.49Å; P404-F407 WeakPolarHBondContact O-CB 3.48Å; P404-F407 PolarHBondContact O-N 2.66Å; P404-M418 WeakPolarHBondContact O-CE 3.31Å | ||
| 405 | E | 95.7 | Very high | 96.7 | Very high | 64 Ų | 64 | 27 Ų | 27 | 30% | 0.299 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -54.9 | -24.2 | -179.1 | -175.7 | 73.3 | -178.8 | 0 | 0 | 112.8 | Q263 F407 K408 | Q263-E405 VanDerWaalsContact OE1-CB 3.24Å; E405-F407 PolarHBondContact O-N 2.91Å; E405-F407 VanDerWaalsContact O-N 3.08Å; E405-K408 WeakPolarHBondContact O-CB 3.42Å; E405-K408 PolarHBondContact O-N 2.9Å; E405-K408 WeakPolarHBondContact OE1-CD 3.46Å; E405-K408 WeakPolarHBondContact OE1-CE 3.47Å; E405-K408 IonicContact OE1-NZ 2.77Å; E405-K408 PolarHBondContact OE1-NZ 2.83Å |
| 406 | E | 95.4 | Very high | 97.3 | Very high | 111 Ų | 111 | 23 Ų | 23 | 52% | 0.519 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -63.4 | -12.4 | 175.9 | -60.5 | 81.3 | 178.9 | 0 | 0 | 114 | K300 P404 K408 | K300-E406 WeakPolarHBondContact CE-O 3.43Å; P404-E406 WeakPolarHBondContact CB-OE2 3.43Å; P404-E406 PolarHBondContact O-N 3.42Å; E406-K408 VanDerWaalsContact C-N 3.32Å |
| 407 | F | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -84.6 | -5.2 | 171.9 | -77 | -98.9 | 0 | 0 | 0 | 113.2 | K300 L302 S384 A386 L403 P404 E405 N409 S410 T411 M418 | K300-F407 HydrophobicContact CB-CD1 4.17Å; K300-F407 HydrophobicContact CB-CE1 3.41Å; K300-F407 VanDerWaalsContact CB-CE1 3.41Å; K300-F407 HydrophobicContact CB-CZ 3.63Å; K300-F407 HydrophobicContact CD-CZ 4.36Å; K300-F407 HydrophobicContact CG-CD1 3.83Å; K300-F407 HydrophobicContact CG-CD2 4.4Å; K300-F407 HydrophobicContact CG-CE1 3.49Å; K300-F407 VanDerWaalsContact CG-CE1 3.49Å; K300-F407 HydrophobicContact CG-CE2 4.09Å; K300-F407 HydrophobicContact CG-CG 4.28Å; K300-F407 HydrophobicContact CG-CZ 3.63Å; L302-F407 HydrophobicContact CB-CE1 3.93Å; L302-F407 HydrophobicContact CB-CZ 4.44Å; L302-F407 HydrophobicContact CD2-CD1 4.48Å; L302-F407 HydrophobicContact CD2-CE1 3.59Å; L302-F407 HydrophobicContact CD2-CZ 3.96Å; L302-F407 HydrophobicContact CG-CE1 4.42Å; S384-F407 VanDerWaalsContact OG-CZ 3.3Å; S384-F407 WeakPolarHBondContact OG-CZ 3.39Å; A386-F407 HydrophobicContact CB-CE2 4.27Å; A386-F407 HydrophobicContact CB-CZ 3.97Å; L403-F407 HydrophobicContact CB-CB 4.08Å; L403-F407 HydrophobicContact CB-CD2 4.18Å; L403-F407 HydrophobicContact CB-CG 4.09Å; L403-F407 HydrophobicContact CD1-CB 4.18Å; L403-F407 HydrophobicContact CD1-CD1 4.05Å; L403-F407 HydrophobicContact CD1-CG 4.16Å; L403-F407 HydrophobicContact CD2-CD1 4.18Å; L403-F407 HydrophobicContact CD2-CD2 4.38Å; L403-F407 HydrophobicContact CD2-CE1 4.14Å; L403-F407 HydrophobicContact CD2-CE2 4.36Å; L403-F407 HydrophobicContact CD2-CG 4.29Å; L403-F407 HydrophobicContact CD2-CZ 4.23Å; L403-F407 HydrophobicContact CG-CG 4.41Å; P404-F407 HydrophobicContact CB-CD2 4.49Å; P404-F407 WeakPolarHBondContact O-CB 3.48Å; P404-F407 PolarHBondContact O-N 2.66Å; E405-F407 PolarHBondContact O-N 2.91Å; E405-F407 VanDerWaalsContact O-N 3.08Å; F407-N409 PolarHBondContact O-N 3.45Å; F407-S410 WeakPolarHBondContact CA-OG 3.44Å; F407-S410 WeakPolarHBondContact O-CB 3.48Å; F407-S410 PolarHBondContact O-N 3.5Å; F407-S410 PolarHBondContact O-OG 2.93Å; F407-T411 HydrophobicContact CB-CG2 4.17Å; F407-T411 HydrophobicContact CD1-CG2 4.45Å; F407-M418 HydrophobicContact CB-CE 3.54Å; F407-M418 HydrophobicContact CB-SD 4.43Å |
| 408 | K | 96.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 26.5 Ų | 26.5 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 137 | -172.7 | -174.2 | 163.1 | 179.9 | 163.3 | 0 | 112 | E405 E406 S410 M418 | E405-K408 WeakPolarHBondContact O-CB 3.42Å; E405-K408 PolarHBondContact O-N 2.9Å; E405-K408 WeakPolarHBondContact OE1-CD 3.46Å; E405-K408 WeakPolarHBondContact OE1-CE 3.47Å; E405-K408 IonicContact OE1-NZ 2.77Å; E405-K408 PolarHBondContact OE1-NZ 2.83Å; E406-K408 VanDerWaalsContact C-N 3.32Å; K408-S410 PolarHBondContact O-N 3.31Å; K408-M418 CarbonylContact C-O 3.53Å; K408-M418 VanDerWaalsContact CA-O 3.3Å; K408-M418 WeakPolarHBondContact CA-O 3.45Å; K408-M418 HydrophobicContact CB-CE 4.04Å |
| 409 | N | 96 | Very high | 97.7 | Very high | 103 Ų | 103 | 27.4 Ų | 27.4 | 55% | 0.551 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 8.1 | -173.9 | -56.5 | -58.4 | 0 | 0 | 0 | 115.6 | F407 M418 N419 | F407-N409 PolarHBondContact O-N 3.45Å; N409-M418 PolarHBondContact N-O 2.86Å; N409-N419 WeakPolarHBondContact OD1-CB 3.48Å |
| 410 | S | 96.1 | Very high | 97.5 | Very high | 38 Ų | 38 | 30.6 Ų | 30.6 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -8.8 | -175.9 | 80.8 | 0 | 0 | 0 | 0 | 114.6 | S297 F407 K408 | S297-S410 WeakPolarHBondContact CA-O 3.37Å; S297-S410 PolarHBondContact OG-OG 3.49Å; F407-S410 WeakPolarHBondContact CA-OG 3.44Å; F407-S410 WeakPolarHBondContact O-CB 3.48Å; F407-S410 PolarHBondContact O-N 3.5Å; F407-S410 PolarHBondContact O-OG 2.93Å; K408-S410 PolarHBondContact O-N 3.31Å |
| 411 | T | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 144.3 | -177 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | V295 R296 L403 F407 G416 K417 M418 | V295-T411 HydrophobicContact CG2-CG2 4.05Å; R296-T411 WeakPolarHBondContact O-CA 3.39Å; L403-T411 HydrophobicContact CD1-CG2 3.58Å; F407-T411 HydrophobicContact CB-CG2 4.17Å; F407-T411 HydrophobicContact CD1-CG2 4.45Å; T411-G416 PolarHBondContact OG1-O 3.2Å; T411-K417 WeakPolarHBondContact OG1-CA 3.27Å; T411-M418 HydrophobicContact CG2-CB 4.12Å; T411-M418 PolarHBondContact OG1-N 3.06Å |
| 412 | V | 97.9 | Very high | 97.4 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 32% | 0.321 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 155.5 | 169.1 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | V295 R296 W450 | V295-V412 CarbonylContact C-O 3.56Å; V295-V412 WeakPolarHBondContact CA-O 3.45Å; R296-V412 HydrophobicContact CB-CG2 4.2Å; R296-V412 PolarHBondContact N-O 2.93Å; R296-V412 PolarHBondContact O-N 3.42Å; V412-W450 HydrophobicContact CB-CH2 3.72Å; V412-W450 HydrophobicContact CB-CZ2 4.44Å; V412-W450 HydrophobicContact CB-CZ3 4.41Å; V412-W450 HydrophobicContact CG2-CH2 3.97Å; V412-W450 HydrophobicContact CG2-CZ3 4.22Å |
| 413 | G | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 130.9 | -168.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L294 L415 G416 | L294-G413 CarbonylContact O-C 3.58Å; G413-L415 PolarHBondContact O-N 2.72Å; G413-G416 PolarHBondContact O-N 3.29Å; G413-G416 VanDerWaalsContact O-N 3.17Å |
| 414 | L | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.5 | 178.5 | -64.6 | 179.6 | 0 | 0 | 0 | 113.5 | F276 Y284 F286 Y292 T293 L294 G416 F446 W450 | F276-L414 HydrophobicContact CD1-CB 4.15Å; F276-L414 HydrophobicContact CE1-CB 3.87Å; F276-L414 HydrophobicContact CE1-CD1 3.89Å; F276-L414 HydrophobicContact CZ-CD1 4Å; Y284-L414 WeakPolarHBondContact OH-CB 3.23Å; Y284-L414 PolarHBondContact OH-O 3.23Å; F286-L414 HydrophobicContact CD1-CD1 4.19Å; F286-L414 HydrophobicContact CE1-CD1 4.35Å; Y292-L414 HydrophobicContact CG-CD1 4.27Å; T293-L414 WeakPolarHBondContact O-CG 3.28Å; T293-L414 PolarHBondContact O-N 3.12Å; L294-L414 HydrophobicContact CD2-CD1 4.19Å; L294-L414 PolarHBondContact O-N 3.11Å; L414-G416 PolarHBondContact O-N 2.68Å; L414-F446 HydrophobicContact CD2-CE1 4.13Å; L414-F446 HydrophobicContact CD2-CZ 3.99Å; L414-W450 HydrophobicContact CD2-CB 3.85Å; L414-W450 HydrophobicContact CD2-CG 3.95Å; L414-W450 HydrophobicContact CG-CB 4.01Å; L414-W450 HydrophobicContact CG-CG 4.29Å |
| 415 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 8.5 | 177.5 | -59 | 178.7 | 0 | 0 | 0 | 113.7 | A268 V270 F276 T278 F279 L294 V295 V401 G413 | A268-L415 HydrophobicContact CB-CB 3.94Å; A268-L415 HydrophobicContact CB-CD1 4.06Å; A268-L415 HydrophobicContact CB-CD2 3.97Å; A268-L415 HydrophobicContact CB-CG 4.19Å; V270-L415 HydrophobicContact CG2-CD2 3.9Å; F276-L415 HydrophobicContact CD1-CD2 4.13Å; T278-L415 WeakPolarHBondContact CA-O 3.13Å; T278-L415 VanDerWaalsContact CB-O 3.25Å; T278-L415 WeakPolarHBondContact CB-O 3.15Å; F279-L415 HydrophobicContact CD2-CB 4.17Å; F279-L415 WeakPolarHBondContact CD2-O 3.31Å; F279-L415 HydrophobicContact CE2-CB 3.68Å; F279-L415 HydrophobicContact CZ-CB 4.32Å; F279-L415 HydrophobicContact CZ-CD1 4.38Å; F279-L415 PolarHBondContact N-O 2.92Å; L294-L415 HydrophobicContact CB-CD1 4.12Å; L294-L415 HydrophobicContact CB-CG 4.27Å; L294-L415 WeakPolarHBondContact O-CB 3.46Å; L294-L415 WeakPolarHBondContact O-CG 3.36Å; L294-L415 PolarHBondContact O-N 3.36Å; V295-L415 HydrophobicContact CB-CB 4.36Å; V295-L415 HydrophobicContact CB-CD1 4.22Å; V295-L415 HydrophobicContact CG1-CD1 4.17Å; V401-L415 HydrophobicContact CB-CD1 3.99Å; V401-L415 HydrophobicContact CG2-CD1 3.6Å; G413-L415 PolarHBondContact O-N 2.72Å |
| 416 | G | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | trans | 79.4 | -174.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T411 G413 L414 D425 | T411-G416 PolarHBondContact OG1-O 3.2Å; G413-G416 PolarHBondContact O-N 3.29Å; G413-G416 VanDerWaalsContact O-N 3.17Å; L414-G416 PolarHBondContact O-N 2.68Å; G416-D425 VanDerWaalsContact CA-OD1 3.32Å; G416-D425 WeakPolarHBondContact CA-OD1 3.01Å | ||
| 417 | K | 97.4 | Very high | 97.3 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | trans | -106.1 | 99.3 | -177.6 | -179.4 | 178.2 | 161.5 | -144.3 | 0 | 108.4 | D280 T411 N419 D424 D425 | D280-K417 VanDerWaalsContact OD2-O 3.04Å; T411-K417 WeakPolarHBondContact OG1-CA 3.27Å; K417-N419 WeakPolarHBondContact CE-ND2 3.42Å; K417-N419 PolarHBondContact NZ-ND2 3.24Å; K417-N419 VanDerWaalsContact O-CG 3.3Å; K417-N419 PolarHBondContact O-N 3.43Å; K417-N419 PolarHBondContact O-ND2 3.27Å; K417-D424 WeakPolarHBondContact CD-OD2 3.44Å; K417-D424 IonicContact NZ-OD2 3.66Å; K417-D424 PolarHBondContact NZ-OD2 2.66Å; K417-D425 PolarHBondContact N-OD1 3.35Å | ||
| 418 | M | 97.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | trans | -60.8 | 94.6 | -177.7 | -171.6 | -177.9 | 90.7 | 0 | 0 | 111.1 | F279 L403 P404 F407 K408 N409 T411 | F279-M418 HydrophobicContact CB-CB 3.81Å; F279-M418 HydrophobicContact CB-CG 3.73Å; F279-M418 HydrophobicContact CB-SD 4.47Å; F279-M418 HydrophobicContact CD1-SD 4.22Å; F279-M418 HydrophobicContact CD2-CB 3.99Å; F279-M418 HydrophobicContact CG-CB 3.97Å; F279-M418 HydrophobicContact CG-CG 4.05Å; F279-M418 HydrophobicContact CG-SD 4.25Å; L403-M418 HydrophobicContact CB-SD 3.86Å; P404-M418 WeakPolarHBondContact O-CE 3.31Å; F407-M418 HydrophobicContact CB-CE 3.54Å; F407-M418 HydrophobicContact CB-SD 4.43Å; K408-M418 CarbonylContact C-O 3.53Å; K408-M418 VanDerWaalsContact CA-O 3.3Å; K408-M418 WeakPolarHBondContact CA-O 3.45Å; K408-M418 HydrophobicContact CB-CE 4.04Å; N409-M418 PolarHBondContact N-O 2.86Å; T411-M418 HydrophobicContact CG2-CB 4.12Å; T411-M418 PolarHBondContact OG1-N 3.06Å | ||
| 419 | N | 96.9 | Very high | 97.3 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -145.6 | -7.3 | -179 | 69.5 | 36 | 0 | 0 | 0 | 114.1 | D280 N409 K417 D421 D424 | D280-N419 PolarHBondContact OD1-N 3.38Å; D280-N419 PolarHBondContact OD2-N 2.9Å; D280-N419 PolarHBondContact OD2-OD1 3.15Å; N409-N419 WeakPolarHBondContact OD1-CB 3.48Å; K417-N419 WeakPolarHBondContact CE-ND2 3.42Å; K417-N419 PolarHBondContact NZ-ND2 3.24Å; K417-N419 VanDerWaalsContact O-CG 3.3Å; K417-N419 PolarHBondContact O-N 3.43Å; K417-N419 PolarHBondContact O-ND2 3.27Å; N419-D421 WeakPolarHBondContact OD1-CA 3.48Å; N419-D421 WeakPolarHBondContact OD1-CB 3.36Å; N419-D421 PolarHBondContact OD1-N 3.44Å; N419-D424 VanDerWaalsContact ND2-CG 3.28Å; N419-D424 PolarHBondContact ND2-OD1 2.82Å; N419-D424 PolarHBondContact ND2-OD2 3.49Å |
| 420 | G | 96.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 39 Ų | 39 | 69% | 0.691 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 89.5 | 11.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D280 | D280-G420 WeakPolarHBondContact OD1-CA 3.38Å; D280-G420 PolarHBondContact OD1-N 3.41Å; D280-G420 WeakPolarHBondContact OD2-CA 3.37Å; D280-G420 PolarHBondContact OD2-N 2.78Å |
| 421 | D | 97.2 | Very high | 97.2 | Very high | 70 Ų | 70 | 39.8 Ų | 39.8 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | trans | -124.2 | 94.5 | -179.8 | -171 | 4.4 | 0 | 0 | 0 | 111.5 | D280 N419 K423 D424 | D280-D421 PolarHBondContact OD2-N 3.35Å; N419-D421 WeakPolarHBondContact OD1-CA 3.48Å; N419-D421 WeakPolarHBondContact OD1-CB 3.36Å; N419-D421 PolarHBondContact OD1-N 3.44Å; D421-K423 PolarHBondContact O-N 2.96Å; D421-K423 WeakPolarHBondContact OD1-CB 3.1Å; D421-K423 WeakPolarHBondContact OD1-CG 3.48Å; D421-K423 PolarHBondContact OD1-N 2.78Å; D421-K423 VanDerWaalsContact OD1-N 3.11Å; D421-D424 PolarHBondContact O-N 3.35Å; D421-D424 VanDerWaalsContact O-OD1 3.07Å | ||
| 422 | A | 96.5 | Very high | 97.1 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -12.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V282 | V282-A422 HydrophobicContact CG2-CB 3.56Å; V282-A422 WeakPolarHBondContact CG2-O 3.36Å |
| 423 | K | 95.8 | Very high | 97.1 | Very high | 162 Ų | 162 | 45.9 Ų | 45.9 | 70% | 0.704 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -22.3 | -178.8 | -63.5 | 173.8 | -175.1 | 169.1 | 0 | 113.9 | D421 | D421-K423 PolarHBondContact O-N 2.96Å; D421-K423 WeakPolarHBondContact OD1-CB 3.1Å; D421-K423 WeakPolarHBondContact OD1-CG 3.48Å; D421-K423 PolarHBondContact OD1-N 2.78Å; D421-K423 VanDerWaalsContact OD1-N 3.11Å |
| 424 | D | 95.9 | Very high | 97 | Very high | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -107.6 | 5 | -178.2 | 82 | -16 | 0 | 0 | 0 | 114 | K417 N419 D421 L433 | K417-D424 WeakPolarHBondContact CD-OD2 3.44Å; K417-D424 IonicContact NZ-OD2 3.66Å; K417-D424 PolarHBondContact NZ-OD2 2.66Å; N419-D424 VanDerWaalsContact ND2-CG 3.28Å; N419-D424 PolarHBondContact ND2-OD1 2.82Å; N419-D424 PolarHBondContact ND2-OD2 3.49Å; D421-D424 PolarHBondContact O-N 3.35Å; D421-D424 VanDerWaalsContact O-OD1 3.07Å; D424-L433 HydrophobicContact CB-CD2 4.32Å |
| 425 | D | 97.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -66.7 | -38.6 | 178.7 | -95 | -15.8 | 0 | 0 | 0 | 114 | T278 D280 V282 G416 K417 A427 | T278-D425 WeakPolarHBondContact CB-OD2 3.46Å; T278-D425 HydrophobicContact CG2-CB 4.19Å; T278-D425 PolarHBondContact OG1-OD2 3.46Å; D280-D425 WeakPolarHBondContact CB-OD2 3.18Å; V282-D425 HydrophobicContact CB-CB 4.33Å; V282-D425 HydrophobicContact CG2-CB 3.83Å; V282-D425 WeakPolarHBondContact CG2-OD2 3.3Å; G416-D425 VanDerWaalsContact CA-OD1 3.32Å; G416-D425 WeakPolarHBondContact CA-OD1 3.01Å; K417-D425 PolarHBondContact N-OD1 3.35Å; D425-A427 VanDerWaalsContact C-N 3.3Å; D425-A427 PolarHBondContact O-N 3.44Å; D425-A427 VanDerWaalsContact O-N 3.12Å |
| 426 | L | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -91.6 | 66.2 | -177.4 | -54.9 | -171.6 | 0 | 0 | 0 | 110.6 | V282 Y284 V434 H437 L443 F446 | V282-L426 HydrophobicContact CG1-CD1 3.94Å; V282-L426 HydrophobicContact CG1-CD2 3.98Å; V282-L426 HydrophobicContact CG1-CG 3.97Å; Y284-L426 HydrophobicContact CD1-CD2 3.73Å; Y284-L426 HydrophobicContact CE1-CD2 3.73Å; Y284-L426 HydrophobicContact CG-CD2 4.39Å; L426-V434 HydrophobicContact CB-CB 4Å; L426-V434 HydrophobicContact CB-CG2 3.89Å; L426-V434 WeakPolarHBondContact O-CG2 3.24Å; L426-V434 PolarHBondContact O-N 2.77Å; L426-H437 HydrophobicContact CD1-CB 4.47Å; L426-L443 HydrophobicContact CD1-CD2 3.69Å; L426-F446 HydrophobicContact CD2-CE1 3.83Å; L426-F446 HydrophobicContact CD2-CZ 3.81Å |
| 427 | A | 97.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -100.3 | 129.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D425 Q432 L433 F446 W450 | D425-A427 VanDerWaalsContact C-N 3.3Å; D425-A427 PolarHBondContact O-N 3.44Å; D425-A427 VanDerWaalsContact O-N 3.12Å; A427-Q432 CarbonylContact C-O 3.59Å; A427-Q432 WeakPolarHBondContact CA-O 3.37Å; A427-L433 HydrophobicContact CB-CD2 3.84Å; A427-F446 VanDerWaalsContact O-CE2 3.26Å; A427-F446 WeakPolarHBondContact O-CE2 3.44Å; A427-W450 WeakPolarHBondContact O-CZ2 3.49Å; A427-W450 PolarHBondContact O-NE1 3.3Å |
| 428 | L | 97.9 | Very high | 95.8 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | trans | -60.5 | 161.9 | 169.2 | -78.3 | 80.5 | 0 | 0 | 0 | 110.5 | N430 G431 Q432 V434 F446 S449 | L428-N430 VanDerWaalsContact CB-OD1 3.24Å; L428-N430 WeakPolarHBondContact CB-OD1 3.44Å; L428-N430 PolarHBondContact O-N 2.86Å; L428-G431 WeakPolarHBondContact O-CA 3.21Å; L428-G431 PolarHBondContact O-N 2.99Å; L428-Q432 WeakPolarHBondContact CD1-O 3.31Å; L428-Q432 PolarHBondContact N-O 2.67Å; L428-V434 HydrophobicContact CD1-CG2 4.14Å; L428-F446 HydrophobicContact CD1-CB 4.26Å; L428-F446 HydrophobicContact CG-CB 4.47Å; L428-S449 WeakPolarHBondContact CA-OG 3.37Å | ||
| 429 | S | 96.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.2 | 177.6 | 58.4 | 0 | 0 | 0 | 0 | 114.6 | S449 | S429-S449 WeakPolarHBondContact CB-O 3.5Å; S429-S449 PolarHBondContact N-OG 3.3Å; S429-S449 VanDerWaalsContact N-OG 3.11Å; S429-S449 PolarHBondContact OG-O 2.65Å |
| 430 | N | 95.9 | Very high | 95.4 | Very high | 113 Ų | 113 | 65.6 Ų | 65.6 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0 | 173.1 | 70.1 | -0.4 | 0 | 0 | 0 | 114.1 | L428 Q432 | L428-N430 VanDerWaalsContact CB-OD1 3.24Å; L428-N430 WeakPolarHBondContact CB-OD1 3.44Å; L428-N430 PolarHBondContact O-N 2.86Å; N430-Q432 VanDerWaalsContact OD1-CB 3.31Å; N430-Q432 WeakPolarHBondContact OD1-CB 3.3Å; N430-Q432 PolarHBondContact OD1-N 2.8Å |
| 431 | G | 94.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 87.7 | -1.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L428 | L428-G431 WeakPolarHBondContact O-CA 3.21Å; L428-G431 PolarHBondContact O-N 2.99Å |
| 432 | Q | 96.4 | Very high | 95.2 | Very high | 113 Ų | 113 | 65.9 Ų | 65.9 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 136.2 | 175.7 | -175.6 | 178.5 | -25.6 | 0 | 0 | 110.8 | A427 L428 N430 | A427-Q432 CarbonylContact C-O 3.59Å; A427-Q432 WeakPolarHBondContact CA-O 3.37Å; L428-Q432 WeakPolarHBondContact CD1-O 3.31Å; L428-Q432 PolarHBondContact N-O 2.67Å; N430-Q432 VanDerWaalsContact OD1-CB 3.31Å; N430-Q432 WeakPolarHBondContact OD1-CB 3.3Å; N430-Q432 PolarHBondContact OD1-N 2.8Å |
| 433 | L | 96.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -81.7 | 142.9 | 177 | -62.3 | 178.8 | 0 | 0 | 0 | 112.3 | D424 A427 Q435 | D424-L433 HydrophobicContact CB-CD2 4.32Å; A427-L433 HydrophobicContact CB-CD2 3.84Å; L433-Q435 PolarHBondContact O-N 3.37Å; L433-Q435 PolarHBondContact O-NE2 3.12Å |
| 434 | V | 96.5 | Very high | 95.2 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 132 | 164.8 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | L426 L428 E442 L443 F446 | L426-V434 HydrophobicContact CB-CB 4Å; L426-V434 HydrophobicContact CB-CG2 3.89Å; L426-V434 WeakPolarHBondContact O-CG2 3.24Å; L426-V434 PolarHBondContact O-N 2.77Å; L428-V434 HydrophobicContact CD1-CG2 4.14Å; V434-E442 HydrophobicContact CG1-CG 3.97Å; V434-L443 HydrophobicContact CG1-CD2 4.38Å; V434-F446 HydrophobicContact CG2-CB 3.52Å; V434-F446 HydrophobicContact CG2-CD2 4.21Å; V434-F446 HydrophobicContact CG2-CG 3.87Å |
| 435 | Q | 93.2 | Very high | 95.2 | Very high | 149 Ų | 149 | 59.3 Ų | 59.3 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -89.3 | -41.8 | -178.7 | -59.2 | -58.3 | -58.5 | 0 | 0 | 111.6 | L433 E442 | L433-Q435 PolarHBondContact O-N 3.37Å; L433-Q435 PolarHBondContact O-NE2 3.12Å; Q435-E442 WeakPolarHBondContact CB-OE1 3.46Å; Q435-E442 PolarHBondContact N-OE1 3.07Å |
| 436 | N | 92.8 | Very high | 95.2 | Very high | 76 Ų | 76 | 59.1 Ų | 59.1 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | trans | -119.4 | 98.1 | 179.5 | -172.6 | -4.2 | 0 | 0 | 0 | 111.8 | S438 N439 E442 | N436-S438 PolarHBondContact O-N 2.83Å; N436-S438 VanDerWaalsContact O-N 3.1Å; N436-S438 WeakPolarHBondContact OD1-CB 3.28Å; N436-S438 PolarHBondContact OD1-N 2.82Å; N436-N439 HydrophobicContact CB-CB 3.92Å; N436-N439 WeakPolarHBondContact O-CB 3.5Å; N436-N439 PolarHBondContact O-N 3.31Å; N436-E442 VanDerWaalsContact CB-OE2 3.29Å; N436-E442 WeakPolarHBondContact CB-OE2 3.49Å; N436-E442 PolarHBondContact N-OE1 2.94Å; N436-E442 PolarHBondContact N-OE2 3.27Å; N436-E442 VanDerWaalsContact N-OE2 3.11Å | ||
| 437 | H | 91.8 | Very high | 95.2 | Very high | 80 Ų | 80 | 59 Ų | 59 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -11.5 | 178.2 | -63.2 | -171.5 | 0 | 0 | 0 | 113.6 | L426 L443 | L426-H437 HydrophobicContact CD1-CB 4.47Å; H437-L443 WeakPolarHBondContact O-CD1 3.42Å |
| 438 | S | 90.1 | Very high | 95.2 | Very high | 110 Ų | 110 | 58.9 Ų | 58.9 | 77% | 0.769 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -4.2 | 175.6 | -55.3 | 0 | 0 | 0 | 0 | 113.3 | N436 P440 | N436-S438 PolarHBondContact O-N 2.83Å; N436-S438 VanDerWaalsContact O-N 3.1Å; N436-S438 WeakPolarHBondContact OD1-CB 3.28Å; N436-S438 PolarHBondContact OD1-N 2.82Å; S438-P440 VanDerWaalsContact O-CD 3.32Å; S438-P440 WeakPolarHBondContact O-CD 3.32Å |
| 439 | N | 94.3 | Very high | 95.2 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | trans | -90.5 | 106.4 | 178.6 | -179.4 | -12.5 | 0 | 0 | 0 | 109.9 | N436 E441 E442 L443 | N436-N439 HydrophobicContact CB-CB 3.92Å; N436-N439 WeakPolarHBondContact O-CB 3.5Å; N436-N439 PolarHBondContact O-N 3.31Å; N439-E441 VanDerWaalsContact C-N 3.3Å; N439-E441 PolarHBondContact O-N 2.9Å; N439-E441 PolarHBondContact OD1-N 3.06Å; N439-E441 VanDerWaalsContact OD1-N 3.16Å; N439-E441 PolarHBondContact OD1-OE2 3.29Å; N439-E442 HydrophobicContact CB-CB 3.86Å; N439-E442 PolarHBondContact O-N 3.26Å; N439-E442 PolarHBondContact OD1-N 3.45Å; N439-L443 WeakPolarHBondContact O-CG 3.44Å; N439-L443 PolarHBondContact O-N 3.15Å | ||
| 440 | P | 92 | Very high | 95.3 | Very high | 47 Ų | 47 | 56.4 Ų | 56.4 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.6 | -28.2 | -174.5 | 27.7 | -32.8 | 0 | 0 | 0 | 113.1 | S438 F444 F484 | S438-P440 VanDerWaalsContact O-CD 3.32Å; S438-P440 WeakPolarHBondContact O-CD 3.32Å; P440-F444 VanDerWaalsContact O-CB 3.3Å; P440-F444 WeakPolarHBondContact O-CB 3.41Å; P440-F444 PolarHBondContact O-N 2.84Å; P440-F484 HydrophobicContact CB-CB 3.85Å; P440-F484 HydrophobicContact CB-CD1 3.82Å; P440-F484 HydrophobicContact CB-CG 4.08Å; P440-F484 HydrophobicContact CG-CB 3.79Å; P440-F484 HydrophobicContact CG-CD1 4.45Å; P440-F484 HydrophobicContact CG-CG 4.24Å |
| 441 | E | 93.6 | Very high | 95.4 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 173.9 | -66.9 | 81 | 177.5 | 0 | 0 | 112.3 | N439 F444 S445 F484 | N439-E441 VanDerWaalsContact C-N 3.3Å; N439-E441 PolarHBondContact O-N 2.9Å; N439-E441 PolarHBondContact OD1-N 3.06Å; N439-E441 VanDerWaalsContact OD1-N 3.16Å; N439-E441 PolarHBondContact OD1-OE2 3.29Å; E441-F444 PolarHBondContact O-N 2.97Å; E441-S445 PolarHBondContact O-N 2.71Å; E441-S445 PolarHBondContact O-OG 3.44Å; E441-F484 HydrophobicContact CG-CD2 4.16Å; E441-F484 HydrophobicContact CG-CE2 3.81Å; E441-F484 HydrophobicContact CG-CZ 4.1Å |
| 442 | E | 95.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -43.2 | 175.4 | -162.7 | 179.3 | 166.5 | 0 | 0 | 111 | V434 Q435 N436 N439 F444 S445 F446 | V434-E442 HydrophobicContact CG1-CG 3.97Å; Q435-E442 WeakPolarHBondContact CB-OE1 3.46Å; Q435-E442 PolarHBondContact N-OE1 3.07Å; N436-E442 VanDerWaalsContact CB-OE2 3.29Å; N436-E442 WeakPolarHBondContact CB-OE2 3.49Å; N436-E442 PolarHBondContact N-OE1 2.94Å; N436-E442 PolarHBondContact N-OE2 3.27Å; N436-E442 VanDerWaalsContact N-OE2 3.11Å; N439-E442 HydrophobicContact CB-CB 3.86Å; N439-E442 PolarHBondContact O-N 3.26Å; N439-E442 PolarHBondContact OD1-N 3.45Å; E442-F444 VanDerWaalsContact C-N 3.28Å; E442-F444 PolarHBondContact O-N 2.68Å; E442-S445 WeakPolarHBondContact O-CB 3.41Å; E442-S445 PolarHBondContact O-N 3.4Å; E442-F446 PolarHBondContact O-N 3.13Å |
| 443 | L | 96.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 171.8 | -69.5 | 176.5 | 0 | 0 | 0 | 112 | L426 V434 H437 N439 F446 G447 | L426-L443 HydrophobicContact CD1-CD2 3.69Å; V434-L443 HydrophobicContact CG1-CD2 4.38Å; H437-L443 WeakPolarHBondContact O-CD1 3.42Å; N439-L443 WeakPolarHBondContact O-CG 3.44Å; N439-L443 PolarHBondContact O-N 3.15Å; L443-F446 WeakPolarHBondContact O-CB 3.24Å; L443-F446 WeakPolarHBondContact O-CD1 3.25Å; L443-F446 PolarHBondContact O-N 3.49Å; L443-G447 PolarHBondContact O-N 2.81Å |
| 444 | F | 96.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.5 | -175.1 | -96.6 | 0 | 0 | 0 | 112.3 | F286 P440 E441 E442 F446 G447 A448 H476 F480 M481 P482 F484 | F286-F444 AromaticContact CD2-CD2 3.93Å; F286-F444 HydrophobicContact CD2-CD2 3.93Å; F286-F444 AromaticContact CE2-CD2 3.78Å; F286-F444 HydrophobicContact CE2-CD2 3.78Å; F286-F444 HydrophobicContact CE2-CE2 4.02Å; F286-F444 HydrophobicContact CE2-CG 4.34Å; F286-F444 WeakPolarHBondContact CE2-O 3.45Å; P440-F444 VanDerWaalsContact O-CB 3.3Å; P440-F444 WeakPolarHBondContact O-CB 3.41Å; P440-F444 PolarHBondContact O-N 2.84Å; E441-F444 PolarHBondContact O-N 2.97Å; E442-F444 VanDerWaalsContact C-N 3.28Å; E442-F444 PolarHBondContact O-N 2.68Å; F444-F446 VanDerWaalsContact C-N 3.32Å; F444-F446 PolarHBondContact O-N 3.28Å; F444-G447 PolarHBondContact O-N 3.49Å; F444-A448 VanDerWaalsContact O-CB 3.3Å; F444-A448 WeakPolarHBondContact O-CB 3.15Å; F444-A448 PolarHBondContact O-N 3.27Å; F444-H476 AromaticContact CE1-CE1 3.94Å; F444-H476 AromaticContact CZ-CE1 3.68Å; F444-F480 WeakPolarHBondContact CZ-O 3.27Å; F444-M481 HydrophobicContact CE1-SD 4.27Å; F444-P482 HydrophobicContact CD2-CG 3.72Å; F444-P482 VanDerWaalsContact CE2-CD 3.42Å; F444-P482 HydrophobicContact CE2-CG 3.6Å; F444-P482 HydrophobicContact CZ-CG 4.46Å; F444-F484 HydrophobicContact CB-CE1 3.7Å; F444-F484 HydrophobicContact CB-CZ 4.22Å; F444-F484 HydrophobicContact CD1-CZ 4.49Å; F444-F484 HydrophobicContact CD2-CE1 4.04Å; F444-F484 AromaticContact CG-CE1 3.89Å; F444-F484 HydrophobicContact CG-CE1 3.89Å; F444-F484 HydrophobicContact CG-CZ 4.17Å |
| 445 | S | 96.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 49% | 0.49 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | E441 E442 S449 | E441-S445 PolarHBondContact O-N 2.71Å; E441-S445 PolarHBondContact O-OG 3.44Å; E442-S445 WeakPolarHBondContact O-CB 3.41Å; E442-S445 PolarHBondContact O-N 3.4Å; S445-S449 PolarHBondContact O-N 2.87Å; S445-S449 VanDerWaalsContact O-N 3.09Å |
| 446 | F | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 171.8 | 148.8 | -103.3 | 0 | 0 | 0 | 111.8 | Y284 L414 L426 A427 L428 V434 E442 L443 F444 A448 S449 W450 | Y284-F446 HydrophobicContact CD2-CE1 4.29Å; Y284-F446 HydrophobicContact CE1-CE1 4.25Å; Y284-F446 HydrophobicContact CE2-CD1 4.34Å; Y284-F446 AromaticContact CE2-CE1 3.61Å; Y284-F446 HydrophobicContact CE2-CE1 3.61Å; Y284-F446 AromaticContact CZ-CE1 3.59Å; L414-F446 HydrophobicContact CD2-CE1 4.13Å; L414-F446 HydrophobicContact CD2-CZ 3.99Å; L426-F446 HydrophobicContact CD2-CE1 3.83Å; L426-F446 HydrophobicContact CD2-CZ 3.81Å; A427-F446 VanDerWaalsContact O-CE2 3.26Å; A427-F446 WeakPolarHBondContact O-CE2 3.44Å; L428-F446 HydrophobicContact CD1-CB 4.26Å; L428-F446 HydrophobicContact CG-CB 4.47Å; V434-F446 HydrophobicContact CG2-CB 3.52Å; V434-F446 HydrophobicContact CG2-CD2 4.21Å; V434-F446 HydrophobicContact CG2-CG 3.87Å; E442-F446 PolarHBondContact O-N 3.13Å; L443-F446 WeakPolarHBondContact O-CB 3.24Å; L443-F446 WeakPolarHBondContact O-CD1 3.25Å; L443-F446 PolarHBondContact O-N 3.49Å; F444-F446 VanDerWaalsContact C-N 3.32Å; F444-F446 PolarHBondContact O-N 3.28Å; F446-A448 VanDerWaalsContact C-N 3.34Å; F446-A448 PolarHBondContact O-N 2.89Å; F446-S449 WeakPolarHBondContact O-CB 3.08Å; F446-S449 PolarHBondContact O-N 3.36Å; F446-S449 VanDerWaalsContact O-N 3.15Å; F446-S449 PolarHBondContact O-OG 3.28Å; F446-W450 AromaticContact CE2-CD1 3.78Å; F446-W450 AromaticContact CE2-NE1 3.53Å |
| 447 | G | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L443 F444 S449 W450 | L443-G447 PolarHBondContact O-N 2.81Å; F444-G447 PolarHBondContact O-N 3.49Å; G447-S449 PolarHBondContact O-N 3.07Å; G447-W450 PolarHBondContact O-N 2.97Å; G447-W450 VanDerWaalsContact O-N 3.14Å |
| 448 | A | 97.7 | Very high | 95.1 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -32.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F444 F446 W450 A451 | F444-A448 VanDerWaalsContact O-CB 3.3Å; F444-A448 WeakPolarHBondContact O-CB 3.15Å; F444-A448 PolarHBondContact O-N 3.27Å; F446-A448 VanDerWaalsContact C-N 3.34Å; F446-A448 PolarHBondContact O-N 2.89Å; A448-W450 PolarHBondContact O-N 3.47Å; A448-A451 WeakPolarHBondContact O-CB 3.22Å; A448-A451 PolarHBondContact O-N 3.09Å |
| 449 | S | 98 | Very high | 95.5 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -22.5 | 178.1 | 81.3 | 0 | 0 | 0 | 0 | 113.4 | L428 S429 S445 F446 G447 A451 | L428-S449 WeakPolarHBondContact CA-OG 3.37Å; S429-S449 WeakPolarHBondContact CB-O 3.5Å; S429-S449 PolarHBondContact N-OG 3.3Å; S429-S449 VanDerWaalsContact N-OG 3.11Å; S429-S449 PolarHBondContact OG-O 2.65Å; S445-S449 PolarHBondContact O-N 2.87Å; S445-S449 VanDerWaalsContact O-N 3.09Å; F446-S449 WeakPolarHBondContact O-CB 3.08Å; F446-S449 PolarHBondContact O-N 3.36Å; F446-S449 VanDerWaalsContact O-N 3.15Å; F446-S449 PolarHBondContact O-OG 3.28Å; G447-S449 PolarHBondContact O-N 3.07Å; S449-A451 VanDerWaalsContact C-N 3.33Å |
| 450 | W | 98.2 | Very high | 95.6 | Very high | 24 Ų | 24 | 42 Ų | 42 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 16.5 | 179.8 | -73.6 | 105.7 | 0 | 0 | 0 | 114.1 | Y292 T293 V412 L414 A427 F446 G447 A448 V452 | Y292-W450 WeakPolarHBondContact CA-O 3.48Å; T293-W450 PolarHBondContact N-O 3.47Å; V412-W450 HydrophobicContact CB-CH2 3.72Å; V412-W450 HydrophobicContact CB-CZ2 4.44Å; V412-W450 HydrophobicContact CB-CZ3 4.41Å; V412-W450 HydrophobicContact CG2-CH2 3.97Å; V412-W450 HydrophobicContact CG2-CZ3 4.22Å; L414-W450 HydrophobicContact CD2-CB 3.85Å; L414-W450 HydrophobicContact CD2-CG 3.95Å; L414-W450 HydrophobicContact CG-CB 4.01Å; L414-W450 HydrophobicContact CG-CG 4.29Å; A427-W450 WeakPolarHBondContact O-CZ2 3.49Å; A427-W450 PolarHBondContact O-NE1 3.3Å; F446-W450 AromaticContact CE2-CD1 3.78Å; F446-W450 AromaticContact CE2-NE1 3.53Å; G447-W450 PolarHBondContact O-N 2.97Å; G447-W450 VanDerWaalsContact O-N 3.14Å; A448-W450 PolarHBondContact O-N 3.47Å; W450-V452 PolarHBondContact O-N 3.4Å |
| 451 | A | 98.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -53.4 | 134.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E291 Y292 A448 S449 R475 H476 | E291-A451 WeakPolarHBondContact O-CA 3.29Å; Y292-A451 HydrophobicContact CD1-CB 4.41Å; Y292-A451 HydrophobicContact CE1-CB 4.39Å; A448-A451 WeakPolarHBondContact O-CB 3.22Å; A448-A451 PolarHBondContact O-N 3.09Å; S449-A451 VanDerWaalsContact C-N 3.33Å; A451-R475 HydrophobicContact CB-CB 4.35Å; A451-H476 HydrophobicContact CB-CB 3.84Å |
| 452 | V | 97.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 144.9 | -179.5 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | E291 Q305 W450 A457 R475 | E291-V452 HydrophobicContact CB-CB 4.34Å; E291-V452 HydrophobicContact CB-CG2 4.32Å; E291-V452 PolarHBondContact O-N 2.87Å; Q305-V452 HydrophobicContact CB-CG2 4.23Å; Q305-V452 HydrophobicContact CG-CG2 3.78Å; W450-V452 PolarHBondContact O-N 3.4Å; V452-A457 HydrophobicContact CG1-CB 3.83Å; V452-R475 VanDerWaalsContact O-CB 3.29Å; V452-R475 WeakPolarHBondContact O-CB 3.36Å; V452-R475 WeakPolarHBondContact O-CG 3.4Å |
| 453 | E | 93.1 | Very high | 95.8 | Very high | 134 Ų | 134 | 41 Ų | 41 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -83.9 | 144.6 | 170.4 | -62.2 | -175.7 | 176.2 | 0 | 0 | 110.9 | T455 S456 A457 | E453-T455 PolarHBondContact O-N 3.04Å; E453-T455 VanDerWaalsContact O-N 3.11Å; E453-S456 PolarHBondContact N-OG 2.8Å; E453-S456 PolarHBondContact O-N 3.37Å; E453-S456 PolarHBondContact O-OG 2.75Å; E453-A457 PolarHBondContact O-N 3.47Å; E453-A457 VanDerWaalsContact O-N 3.16Å |
| 454 | N | 86.8 | Confident | 95.8 | Very high | 101 Ų | 101 | 47.3 Ų | 47.3 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -36.1 | -178.1 | -77.4 | -5.2 | 0 | 0 | 0 | 114.3 | S456 R475 | N454-S456 VanDerWaalsContact C-N 3.3Å; N454-R475 PolarHBondContact OD1-NE 2.96Å; N454-R475 PolarHBondContact OD1-NH2 3.42Å |
| 455 | T | 89.8 | Confident | 95.6 | Very high | 134 Ų | 134 | 52.6 Ų | 52.6 | 82% | 0.822 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -18 | -179.8 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | E453 | E453-T455 PolarHBondContact O-N 3.04Å; E453-T455 VanDerWaalsContact O-N 3.11Å |
| 456 | S | 94.3 | Very high | 95.5 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -3.4 | -175.3 | 73.3 | 0 | 0 | 0 | 0 | 113.6 | Q305 E453 N454 L458 | Q305-S456 PolarHBondContact NE2-O 3.21Å; E453-S456 PolarHBondContact N-OG 2.8Å; E453-S456 PolarHBondContact O-N 3.37Å; E453-S456 PolarHBondContact O-OG 2.75Å; N454-S456 VanDerWaalsContact C-N 3.3Å; S456-L458 PolarHBondContact O-N 3.05Å |
| 457 | A | 96.6 | Very high | 95.4 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | trans | -65.1 | 129.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V452 E453 Y461 | V452-A457 HydrophobicContact CG1-CB 3.83Å; E453-A457 PolarHBondContact O-N 3.47Å; E453-A457 VanDerWaalsContact O-N 3.16Å; A457-Y461 WeakPolarHBondContact CB-OH 3.4Å | ||
| 458 | L | 98.2 | Very high | 95.2 | Very high | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | trans | -94.2 | -5.5 | 179.9 | -62.2 | -178.1 | 0 | 0 | 0 | 113.2 | T303 A327 K329 I335 S456 | T303-L458 HydrophobicContact CG2-CD1 3.9Å; A327-L458 HydrophobicContact CB-CB 3.6Å; K329-L458 HydrophobicContact CB-CD1 3.94Å; K329-L458 HydrophobicContact CB-CD2 4.31Å; K329-L458 HydrophobicContact CD-CD2 4.42Å; I335-L458 HydrophobicContact CD1-CD2 3.96Å; I335-L458 HydrophobicContact CG1-CD2 4.27Å; I335-L458 HydrophobicContact CG2-CB 4.05Å; I335-L458 WeakPolarHBondContact CG2-O 3.4Å; S456-L458 PolarHBondContact O-N 3.05Å | ||
| 459 | F | 98 | Very high | 94.9 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | trans | -83.6 | 158.3 | -172.4 | -58 | -84.5 | 0 | 0 | 0 | 114 | E291 Q305 R307 A325 A327 E337 Y461 | E291-F459 HydrophobicContact CB-CD2 4.48Å; E291-F459 HydrophobicContact CB-CE2 4.01Å; E291-F459 VanDerWaalsContact CD-CD2 3.44Å; E291-F459 HydrophobicContact CG-CD2 4.08Å; E291-F459 HydrophobicContact CG-CE2 3.89Å; E291-F459 WeakPolarHBondContact OE1-CD2 3.48Å; Q305-F459 HydrophobicContact CB-CE2 3.7Å; Q305-F459 HydrophobicContact CB-CZ 3.79Å; R307-F459 HydrophobicContact CB-CE1 4.01Å; R307-F459 HydrophobicContact CB-CZ 4.03Å; A325-F459 HydrophobicContact CB-CD1 4.07Å; A325-F459 HydrophobicContact CB-CE1 3.83Å; A327-F459 HydrophobicContact CB-CD1 3.63Å; A327-F459 HydrophobicContact CB-CE1 3.63Å; A327-F459 HydrophobicContact CB-CG 4.1Å; A327-F459 HydrophobicContact CB-CZ 4.1Å; E337-F459 HydrophobicContact CG-CD1 4.29Å; F459-Y461 HydrophobicContact CB-CE1 4.3Å; F459-Y461 HydrophobicContact CB-CE2 4.4Å; F459-Y461 WeakPolarHBondContact O-CE2 3.47Å | ||
| 460 | T | 97 | Very high | 94.7 | Very high | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | trans | -90.7 | 137.7 | 172.6 | -48 | 0 | 0 | 0 | 0 | 110.2 | E337 L349 Q352 D462 | E337-T460 WeakPolarHBondContact OE2-CB 3.41Å; E337-T460 PolarHBondContact OE2-N 3.13Å; E337-T460 PolarHBondContact OE2-OG1 2.68Å; L349-T460 HydrophobicContact CD2-CG2 4.06Å; Q352-T460 WeakPolarHBondContact CA-OG1 3.43Å; Q352-T460 HydrophobicContact CB-CG2 3.69Å; Q352-T460 HydrophobicContact CG-CG2 3.98Å; T460-D462 HydrophobicContact CG2-CB 3.95Å | ||
| 461 | Y | 96 | Very high | 94.3 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 14% | 0.137 | 34% | 0.335 | C | S | . | . | trans | -121.5 | 66.5 | 177.6 | -50.7 | -80.2 | 0 | 0 | 0 | 109.9 | E291 A457 F459 S463 L466 Y471 R475 | E291-Y461 WeakPolarHBondContact OE1-CE1 3.47Å; E291-Y461 PolarHBondContact OE1-OH 3.01Å; E291-Y461 PolarHBondContact OE2-OH 3.47Å; A457-Y461 WeakPolarHBondContact CB-OH 3.4Å; F459-Y461 HydrophobicContact CB-CE1 4.3Å; F459-Y461 HydrophobicContact CB-CE2 4.4Å; F459-Y461 WeakPolarHBondContact O-CE2 3.47Å; Y461-S463 VanDerWaalsContact C-N 3.35Å; Y461-L466 HydrophobicContact CD1-CB 4.23Å; Y461-Y471 AromaticContact CD2-CD2 3.64Å; Y461-Y471 HydrophobicContact CD2-CD2 3.64Å; Y461-Y471 HydrophobicContact CD2-CE2 4.48Å; Y461-Y471 HydrophobicContact CD2-CG 4.42Å; Y461-Y471 HydrophobicContact CE2-CD2 4.01Å; Y461-Y471 HydrophobicContact CG-CD2 4.13Å; Y461-Y471 HydrophobicContact CG-CG 4.49Å; Y461-R475 PolarHBondContact OH-NH1 3.38Å; Y461-R475 PolarHBondContact OH-NH2 2.89Å | ||
| 462 | D | 95.1 | Very high | 94.1 | Very high | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 35% | 0.352 | S | S | . | . | trans | -91.2 | 11.6 | -173 | 59.9 | -17.3 | 0 | 0 | 0 | 114.1 | R339 T460 L466 | R339-D462 IonicContact CZ-OD1 3.96Å; R339-D462 IonicContact CZ-OD2 2.68Å; R339-D462 VanDerWaalsContact NH1-CG 3.33Å; R339-D462 IonicContact NH1-OD1 2.71Å; R339-D462 PolarHBondContact NH1-OD1 3.49Å; R339-D462 IonicContact NH1-OD2 3.29Å; R339-D462 PolarHBondContact NH1-OD2 3.01Å; R339-D462 VanDerWaalsContact NH1-OD2 3.14Å; R339-D462 IonicContact NH2-OD1 3.12Å; R339-D462 IonicContact NH2-OD2 3.96Å; R339-D462 PolarHBondContact NH2-OD2 3.32Å; T460-D462 HydrophobicContact CG2-CB 3.95Å; D462-L466 WeakPolarHBondContact OD1-CD1 3.43Å | ||
| 463 | S | 94.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -141.1 | 153.9 | 174 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | Y461 N465 L466 L467 | Y461-S463 VanDerWaalsContact C-N 3.35Å; S463-N465 PolarHBondContact O-N 3.01Å; S463-L466 PolarHBondContact O-N 2.87Å; S463-L466 VanDerWaalsContact O-N 3.07Å; S463-L466 VanDerWaalsContact OG-CG 3.31Å; S463-L466 WeakPolarHBondContact OG-CG 3.48Å; S463-L466 PolarHBondContact OG-N 3.17Å; S463-L467 WeakPolarHBondContact O-CG 2.97Å; S463-L467 PolarHBondContact O-N 3.18Å |
| 464 | E | 95.6 | Very high | 93.6 | Very high | 147 Ų | 147 | 65.2 Ų | 65.2 | 69% | 0.687 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.9 | -36.8 | 177.6 | -166.5 | 176.5 | -169.7 | 0 | 0 | 112 | L467 N468 | E464-L467 PolarHBondContact O-N 3.32Å; E464-N468 WeakPolarHBondContact O-CB 3.48Å; E464-N468 VanDerWaalsContact O-CG 3.3Å; E464-N468 PolarHBondContact O-N 3.1Å; E464-N468 PolarHBondContact O-ND2 3.4Å |
| 465 | N | 92.1 | Very high | 93.9 | Very high | 127 Ų | 127 | 61 Ų | 61 | 68% | 0.679 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.4 | -46.8 | 174.9 | -71.3 | -11.6 | 0 | 0 | 0 | 112.1 | S463 A469 | S463-N465 PolarHBondContact O-N 3.01Å; N465-A469 WeakPolarHBondContact O-CB 2.99Å; N465-A469 PolarHBondContact O-N 3.34Å |
| 466 | L | 94.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.8 | -37.8 | 179.3 | -70 | 175.2 | 0 | 0 | 0 | 111.8 | Y461 D462 S463 Y470 Y471 | Y461-L466 HydrophobicContact CD1-CB 4.23Å; D462-L466 WeakPolarHBondContact OD1-CD1 3.43Å; S463-L466 PolarHBondContact O-N 2.87Å; S463-L466 VanDerWaalsContact O-N 3.07Å; S463-L466 VanDerWaalsContact OG-CG 3.31Å; S463-L466 WeakPolarHBondContact OG-CG 3.48Å; S463-L466 PolarHBondContact OG-N 3.17Å; L466-Y470 HydrophobicContact CD2-CD2 3.97Å; L466-Y470 HydrophobicContact CD2-CE2 3.91Å; L466-Y470 PolarHBondContact O-N 3.17Å; L466-Y471 PolarHBondContact O-N 3.3Å |
| 467 | L | 95.2 | Very high | 94.2 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -61.7 | -51.3 | 175.7 | -74.1 | 168.8 | 0 | 0 | 0 | 111.2 | S463 E464 Y471 F472 | S463-L467 WeakPolarHBondContact O-CG 2.97Å; S463-L467 PolarHBondContact O-N 3.18Å; E464-L467 PolarHBondContact O-N 3.32Å; L467-Y471 HydrophobicContact CD2-CD1 4.06Å; L467-Y471 HydrophobicContact CD2-CG 3.95Å; L467-Y471 WeakPolarHBondContact O-CA 3.3Å; L467-Y471 WeakPolarHBondContact O-CB 3.34Å; L467-Y471 PolarHBondContact O-N 3.04Å; L467-F472 HydrophobicContact CB-CD2 4.13Å; L467-F472 HydrophobicContact CB-CE2 3.82Å; L467-F472 HydrophobicContact CD2-CE2 4.43Å; L467-F472 WeakPolarHBondContact O-CD2 3.31Å; L467-F472 PolarHBondContact O-N 3.38Å |
| 468 | N | 93.9 | Very high | 94 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -69.6 | -36.5 | -178.3 | -69.9 | -24.9 | 0 | 0 | 0 | 112.8 | E464 A473 | E464-N468 WeakPolarHBondContact O-CB 3.48Å; E464-N468 VanDerWaalsContact O-CG 3.3Å; E464-N468 PolarHBondContact O-N 3.1Å; E464-N468 PolarHBondContact O-ND2 3.4Å; N468-A473 WeakPolarHBondContact O-CB 3.45Å |
| 469 | A | 91 | Very high | 93.8 | Very high | 42 Ų | 42 | 64 Ų | 64 | 35% | 0.347 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -79.5 | -28.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N465 | N465-A469 WeakPolarHBondContact O-CB 2.99Å; N465-A469 PolarHBondContact O-N 3.34Å |
| 470 | Y | 93 | Very high | 93.5 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -133.4 | -42.6 | -171.4 | -55.6 | -71.7 | 0 | 0 | 0 | 113.8 | E291 R307 E309 L466 R475 | E291-Y470 HydrophobicContact CG-CD1 3.96Å; E291-Y470 HydrophobicContact CG-CE1 4.44Å; E291-Y470 HydrophobicContact CG-CG 4.46Å; R307-Y470 HydrophobicContact CG-CE1 4.18Å; R307-Y470 HydrophobicContact CG-CE2 4.37Å; E309-Y470 WeakPolarHBondContact CG-OH 3.29Å; E309-Y470 WeakPolarHBondContact OE1-CE2 3.29Å; E309-Y470 PolarHBondContact OE1-OH 2.73Å; L466-Y470 HydrophobicContact CD2-CD2 3.97Å; L466-Y470 HydrophobicContact CD2-CE2 3.91Å; L466-Y470 PolarHBondContact O-N 3.17Å; Y470-R475 VanDerWaalsContact CB-NH1 3.33Å; Y470-R475 WeakPolarHBondContact O-CD 3.36Å; Y470-R475 PolarHBondContact O-NE 3.46Å; Y470-R475 PolarHBondContact O-NH1 2.94Å |
| 471 | Y | 91.7 | Very high | 93.3 | Very high | 119 Ų | 119 | 68.8 Ų | 68.8 | 47% | 0.467 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -72.5 | -45.7 | -175.4 | -172.1 | -92.6 | 0 | 0 | 0 | 112.8 | Y461 L466 L467 | Y461-Y471 AromaticContact CD2-CD2 3.64Å; Y461-Y471 HydrophobicContact CD2-CD2 3.64Å; Y461-Y471 HydrophobicContact CD2-CE2 4.48Å; Y461-Y471 HydrophobicContact CD2-CG 4.42Å; Y461-Y471 HydrophobicContact CE2-CD2 4.01Å; Y461-Y471 HydrophobicContact CG-CD2 4.13Å; Y461-Y471 HydrophobicContact CG-CG 4.49Å; L466-Y471 PolarHBondContact O-N 3.3Å; L467-Y471 HydrophobicContact CD2-CD1 4.06Å; L467-Y471 HydrophobicContact CD2-CG 3.95Å; L467-Y471 WeakPolarHBondContact O-CA 3.3Å; L467-Y471 WeakPolarHBondContact O-CB 3.34Å; L467-Y471 PolarHBondContact O-N 3.04Å |
| 472 | F | 92.4 | Very high | 93.1 | Very high | 143 Ų | 143 | 67.6 Ų | 67.6 | 63% | 0.627 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -91.9 | -13.8 | 179.3 | -59.8 | -53.5 | 0 | 0 | 0 | 113.7 | L467 | L467-F472 HydrophobicContact CB-CD2 4.13Å; L467-F472 HydrophobicContact CB-CE2 3.82Å; L467-F472 HydrophobicContact CD2-CE2 4.43Å; L467-F472 WeakPolarHBondContact O-CD2 3.31Å; L467-F472 PolarHBondContact O-N 3.38Å |
| 473 | A | 90.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 65.5 Ų | 65.5 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -100.9 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | N468 | N468-A473 WeakPolarHBondContact O-CB 3.45Š|
| 474 | A | 90.4 | Very high | 92.5 | Very high | 67 Ų | 67 | 66 Ų | 66 | 55% | 0.554 | 35% | 0.353 | S | S | * | . | trans | -66.4 | 141.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | H476 | A474-H476 WeakPolarHBondContact CB-O 3.39Å; A474-H476 PolarHBondContact O-N 2.03Å | ||
| 475 | R | 93 | Very high | 91.9 | Very high | 13 Ų | 13 | 63 Ų | 63 | 5% | 0.049 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -72 | -14.1 | -178.4 | -61.5 | -65.3 | -174.7 | 176.1 | -1.2 | 113.9 | G290 E291 A451 V452 N454 Y461 Y470 | G290-R475 CarbonylContact C-O 3.42Å; G290-R475 WeakPolarHBondContact CA-O 3.39Å; E291-R475 PolarHBondContact N-O 2.03Å; E291-R475 IonicContact OE1-NH1 3.55Å; E291-R475 WeakPolarHBondContact OE2-CD 3.26Å; E291-R475 IonicContact OE2-CZ 2.8Å; E291-R475 IonicContact OE2-NE 3.53Å; E291-R475 IonicContact OE2-NH1 3.54Å; E291-R475 PolarHBondContact OE2-NH1 2.85Å; A451-R475 HydrophobicContact CB-CB 4.35Å; V452-R475 VanDerWaalsContact O-CB 3.29Å; V452-R475 WeakPolarHBondContact O-CB 3.36Å; V452-R475 WeakPolarHBondContact O-CG 3.4Å; N454-R475 PolarHBondContact OD1-NE 2.96Å; N454-R475 PolarHBondContact OD1-NH2 3.42Å; Y461-R475 PolarHBondContact OH-NH1 3.38Å; Y461-R475 PolarHBondContact OH-NH2 2.89Å; Y470-R475 VanDerWaalsContact CB-NH1 3.33Å; Y470-R475 WeakPolarHBondContact O-CD 3.36Å; Y470-R475 PolarHBondContact O-NE 3.46Å; Y470-R475 PolarHBondContact O-NH1 2.94Å |
| 476 | H | 95.8 | Very high | 91.5 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -122.5 | 131.6 | 163.6 | 170.6 | 73 | 0 | 0 | 0 | 107.6 | Y292 F444 A451 A474 P478 | Y292-H476 HydrophobicContact CE1-CB 4.16Å; Y292-H476 AromaticContact CE1-ND1 3.83Å; Y292-H476 AromaticContact CZ-ND1 3.76Å; Y292-H476 PolarHBondContact OH-ND1 2.88Å; F444-H476 AromaticContact CE1-CE1 3.94Å; F444-H476 AromaticContact CZ-CE1 3.68Å; A451-H476 HydrophobicContact CB-CB 3.84Å; A474-H476 WeakPolarHBondContact CB-O 3.39Å; A474-H476 PolarHBondContact O-N 2.03Å; H476-P478 WeakPolarHBondContact O-CD 3.35Å |
| 477 | D | 95.3 | Very high | 90.6 | Very high | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | trans | -85.7 | 104.1 | 174.1 | -173.8 | -11.4 | 0 | 0 | 0 | 110.1 | K289 N479 F480 | K289-D477 HydrophobicContact CB-CB 4.24Å; K289-D477 HydrophobicContact CD-CB 3.93Å; K289-D477 WeakPolarHBondContact CD-OD2 3.48Å; K289-D477 WeakPolarHBondContact CE-OD2 3.34Å; K289-D477 HydrophobicContact CG-CB 4.17Å; K289-D477 IonicContact NZ-OD2 3.27Å; K289-D477 PolarHBondContact NZ-OD2 3.38Å; K289-D477 PolarHBondContact O-N 3.4Å; D477-N479 PolarHBondContact O-N 2.96Å; D477-N479 WeakPolarHBondContact OD1-CB 3.39Å; D477-N479 PolarHBondContact OD1-N 3.41Å; D477-F480 HydrophobicContact CB-CB 4.13Å; D477-F480 PolarHBondContact O-N 3.5Å | ||
| 478 | P | 91.9 | Very high | 89.7 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.4 | -177.6 | 32.3 | -37.7 | 0 | 0 | 0 | 113 | H476 | H476-P478 WeakPolarHBondContact O-CD 3.35Š|
| 479 | N | 92.8 | Very high | 89.2 | Confident | 142 Ų | 142 | 67.9 Ų | 67.9 | 76% | 0.759 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -10.3 | 178.2 | -57.1 | -59.1 | 0 | 0 | 0 | 112.3 | D477 M481 | D477-N479 PolarHBondContact O-N 2.96Å; D477-N479 WeakPolarHBondContact OD1-CB 3.39Å; D477-N479 PolarHBondContact OD1-N 3.41Å; N479-M481 PolarHBondContact O-N 3.34Å |
| 480 | F | 93.3 | Very high | 88.8 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | trans | -84.4 | 111.3 | 175.6 | -177 | -90.1 | 0 | 0 | 0 | 109.8 | N287 K289 P310 T321 F444 D477 P482 | N287-F480 VanDerWaalsContact O-CE1 3.28Å; N287-F480 WeakPolarHBondContact O-CE1 3.48Å; K289-F480 HydrophobicContact CB-CB 3.89Å; K289-F480 HydrophobicContact CB-CD1 3.83Å; K289-F480 HydrophobicContact CB-CD2 4.13Å; K289-F480 HydrophobicContact CB-CE1 4.42Å; K289-F480 HydrophobicContact CB-CG 3.66Å; K289-F480 HydrophobicContact CD-CB 4.23Å; K289-F480 HydrophobicContact CD-CD2 4.14Å; K289-F480 HydrophobicContact CD-CG 4.27Å; P310-F480 HydrophobicContact CB-CE2 4.32Å; P310-F480 HydrophobicContact CG-CE2 4.12Å; T321-F480 HydrophobicContact CG2-CD1 4.3Å; T321-F480 HydrophobicContact CG2-CE1 3.47Å; T321-F480 VanDerWaalsContact CG2-CE1 3.47Å; T321-F480 HydrophobicContact CG2-CE2 4.39Å; T321-F480 HydrophobicContact CG2-CZ 3.51Å; F444-F480 WeakPolarHBondContact CZ-O 3.27Å; D477-F480 HydrophobicContact CB-CB 4.13Å; D477-F480 PolarHBondContact O-N 3.5Å; F480-P482 HydrophobicContact CE1-CB 4.11Å | ||
| 481 | M | 91.4 | Very high | 88.5 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | trans | -110.7 | 117.1 | 175.7 | -69.1 | -59.3 | -61.2 | 0 | 0 | 110.1 | N319 F444 N479 F484 | N319-M481 PolarHBondContact ND2-O 3.19Å; F444-M481 HydrophobicContact CE1-SD 4.27Å; N479-M481 PolarHBondContact O-N 3.34Å; M481-F484 HydrophobicContact CE-CE2 3.41Å; M481-F484 VanDerWaalsContact CE-CE2 3.41Å; M481-F484 HydrophobicContact CE-CZ 3.42Å; M481-F484 VanDerWaalsContact CE-CZ 3.42Å | ||
| 482 | P | 92.3 | Very high | 88.3 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | trans | -78.4 | 167.2 | -179.1 | 33.5 | -36.2 | 0 | 0 | 0 | 112.5 | N287 N319 F444 F480 F484 | N287-P482 HydrophobicContact CB-CB 3.39Å; N287-P482 HydrophobicContact CB-CG 3.82Å; N319-P482 CarbonylContact O-C 3.55Å; N319-P482 VanDerWaalsContact O-CA 3.23Å; N319-P482 WeakPolarHBondContact O-CA 3.48Å; F444-P482 HydrophobicContact CD2-CG 3.72Å; F444-P482 VanDerWaalsContact CE2-CD 3.42Å; F444-P482 HydrophobicContact CE2-CG 3.6Å; F444-P482 HydrophobicContact CZ-CG 4.46Å; F480-P482 HydrophobicContact CE1-CB 4.11Å; P482-F484 HydrophobicContact CG-CD1 4.1Å; P482-F484 HydrophobicContact CG-CE1 3.62Å; P482-F484 HydrophobicContact CG-CZ 4.07Å; P482-F484 PolarHBondContact O-N 2.93Å; P482-F484 VanDerWaalsContact O-N 3.13Å | ||
| 483 | V | 89.7 | Confident | 88.3 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | trans | -76.1 | 93 | 171.5 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | N319 S485 P487 Y512 V516 | N319-V483 HydrophobicContact CB-CG2 3.95Å; N319-V483 PolarHBondContact O-N 3.1Å; V483-S485 VanDerWaalsContact CG1-O 3.23Å; V483-S485 WeakPolarHBondContact CG1-O 3.44Å; V483-S485 PolarHBondContact O-N 3.31Å; V483-S485 VanDerWaalsContact O-N 3.11Å; V483-P487 HydrophobicContact CG1-CG 4.42Å; V483-Y512 VanDerWaalsContact O-CE2 3.28Å; V483-Y512 WeakPolarHBondContact O-CE2 3.38Å; V483-Y512 PolarHBondContact O-OH 3.11Å; V483-V516 HydrophobicContact CB-CG1 3.83Å; V483-V516 HydrophobicContact CB-CG2 4.48Å; V483-V516 HydrophobicContact CG1-CG1 4.23Å; V483-V516 HydrophobicContact CG1-CG2 4.04Å; V483-V516 HydrophobicContact CG2-CG1 4.15Å | ||
| 484 | F | 87.1 | Confident | 88.3 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | trans | -60.3 | -25.9 | -173.5 | -67 | -60.2 | 0 | 0 | 0 | 116.1 | P440 E441 F444 M481 P482 | P440-F484 HydrophobicContact CB-CB 3.85Å; P440-F484 HydrophobicContact CB-CD1 3.82Å; P440-F484 HydrophobicContact CB-CG 4.08Å; P440-F484 HydrophobicContact CG-CB 3.79Å; P440-F484 HydrophobicContact CG-CD1 4.45Å; P440-F484 HydrophobicContact CG-CG 4.24Å; E441-F484 HydrophobicContact CG-CD2 4.16Å; E441-F484 HydrophobicContact CG-CE2 3.81Å; E441-F484 HydrophobicContact CG-CZ 4.1Å; F444-F484 HydrophobicContact CB-CE1 3.7Å; F444-F484 HydrophobicContact CB-CZ 4.22Å; F444-F484 HydrophobicContact CD1-CZ 4.49Å; F444-F484 HydrophobicContact CD2-CE1 4.04Å; F444-F484 AromaticContact CG-CE1 3.89Å; F444-F484 HydrophobicContact CG-CE1 3.89Å; F444-F484 HydrophobicContact CG-CZ 4.17Å; M481-F484 HydrophobicContact CE-CE2 3.41Å; M481-F484 VanDerWaalsContact CE-CE2 3.41Å; M481-F484 HydrophobicContact CE-CZ 3.42Å; M481-F484 VanDerWaalsContact CE-CZ 3.42Å; P482-F484 HydrophobicContact CG-CD1 4.1Å; P482-F484 HydrophobicContact CG-CE1 3.62Å; P482-F484 HydrophobicContact CG-CZ 4.07Å; P482-F484 PolarHBondContact O-N 2.93Å; P482-F484 VanDerWaalsContact O-N 3.13Å | ||
| 485 | S | 83.8 | Confident | 88.4 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -142.1 | 145.3 | -178.7 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | V483 P487 | V483-S485 VanDerWaalsContact CG1-O 3.23Å; V483-S485 WeakPolarHBondContact CG1-O 3.44Å; V483-S485 PolarHBondContact O-N 3.31Å; V483-S485 VanDerWaalsContact O-N 3.11Å; S485-P487 WeakPolarHBondContact O-CD 3.27Å |
| 486 | V | 82.3 | Confident | 88.3 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 30% | 0.297 | 41% | 0.414 | S | S | . | . | trans | -56 | 123.7 | 173.5 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | E488 Y512 L515 V516 | V486-E488 PolarHBondContact O-N 2.64Å; V486-Y512 HydrophobicContact CG2-CD2 3.67Å; V486-Y512 HydrophobicContact CG2-CG 4.17Å; V486-L515 HydrophobicContact CG1-CB 3.71Å; V486-L515 HydrophobicContact CG1-CD1 3.52Å; V486-L515 HydrophobicContact CG1-CG 4.25Å; V486-V516 HydrophobicContact CG2-CG2 4.35Å | ||
| 487 | P | 76.8 | Confident | 88.2 | Confident | 77 Ų | 77 | 75.7 Ų | 75.7 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | trans | -61.2 | 127.1 | 174.7 | -21.6 | 32.7 | 0 | 0 | 0 | 110.6 | V483 S485 N489 | V483-P487 HydrophobicContact CG1-CG 4.42Å; S485-P487 WeakPolarHBondContact O-CD 3.27Å; P487-N489 PolarHBondContact O-N 3.36Å | ||
| 488 | E | 75.9 | Confident | 88.1 | Confident | 199 Ų | 199 | 73.9 Ų | 73.9 | 93% | 0.93 | 42% | 0.416 | S | S | * | . | trans | -70.2 | 101.8 | 174.2 | -69 | -172.8 | 174.4 | 0 | 0 | 109.8 | V486 | V486-E488 PolarHBondContact O-N 2.64Š| ||
| 489 | N | 83.6 | Confident | 88.1 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | trans | -133.7 | 101.6 | 172.3 | 179.6 | 13.2 | 0 | 0 | 0 | 109.3 | P487 D491 D492 N495 | P487-N489 PolarHBondContact O-N 3.36Å; N489-D491 PolarHBondContact O-N 3.46Å; N489-D491 PolarHBondContact OD1-N 3.07Å; N489-D491 VanDerWaalsContact OD1-N 3.13Å; N489-D492 HydrophobicContact CB-CB 4.18Å; N489-D492 WeakPolarHBondContact O-CB 3.26Å; N489-D492 PolarHBondContact O-N 3.49Å; N489-D492 VanDerWaalsContact O-N 3.12Å; N489-N495 PolarHBondContact O-ND2 2.89Å | ||
| 490 | P | 81.4 | Confident | 88.2 | Confident | 113 Ų | 113 | 72.1 Ų | 72.1 | 73% | 0.734 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.2 | 178.4 | -24 | 34.1 | 0 | 0 | 0 | 113.2 | D492 N495 | P490-D492 VanDerWaalsContact C-N 3.28Å; P490-D492 PolarHBondContact O-N 3.13Å; P490-N495 PolarHBondContact O-ND2 3.43Å |
| 491 | D | 88.2 | Confident | 88.2 | Confident | 144 Ų | 144 | 72.7 Ų | 72.7 | 77% | 0.77 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10.6 | -178.5 | -59.1 | -43.4 | 0 | 0 | 0 | 112.8 | N489 P493 | N489-D491 PolarHBondContact O-N 3.46Å; N489-D491 PolarHBondContact OD1-N 3.07Å; N489-D491 VanDerWaalsContact OD1-N 3.13Å; D491-P493 WeakPolarHBondContact O-CD 3.49Å |
| 492 | D | 87.4 | Confident | 88.4 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.064 | 39% | 0.389 | C | S | . | . | trans | -62.8 | 122.1 | 176.3 | -160.8 | -60.2 | 0 | 0 | 0 | 110.1 | N489 P490 L494 N495 R518 | N489-D492 HydrophobicContact CB-CB 4.18Å; N489-D492 WeakPolarHBondContact O-CB 3.26Å; N489-D492 PolarHBondContact O-N 3.49Å; N489-D492 VanDerWaalsContact O-N 3.12Å; P490-D492 VanDerWaalsContact C-N 3.28Å; P490-D492 PolarHBondContact O-N 3.13Å; D492-L494 PolarHBondContact O-N 3.06Å; D492-L494 PolarHBondContact OD1-N 2.57Å; D492-N495 WeakPolarHBondContact O-CB 3.04Å; D492-N495 PolarHBondContact O-N 3.43Å; D492-R518 IonicContact OD1-NH1 3.98Å; D492-R518 PolarHBondContact OD1-NH1 2.88Å; D492-R518 IonicContact OD2-CZ 3.6Å; D492-R518 VanDerWaalsContact OD2-CZ 3.23Å; D492-R518 IonicContact OD2-NH1 2.99Å; D492-R518 PolarHBondContact OD2-NH1 3.09Å; D492-R518 IonicContact OD2-NH2 2.86Å; D492-R518 PolarHBondContact OD2-NH2 3.27Å | ||
| 493 | P | 90.7 | Very high | 88.3 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 73% | 0.734 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19 | -175.6 | 25.6 | -35.6 | 0 | 0 | 0 | 113.1 | D491 | D491-P493 WeakPolarHBondContact O-CD 3.49Š|
| 494 | L | 92.1 | Very high | 88.4 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.8 | 178.9 | -63.1 | 179.6 | 0 | 0 | 0 | 113.6 | D492 T496 Q497 A498 I514 L515 R518 P520 | D492-L494 PolarHBondContact O-N 3.06Å; D492-L494 PolarHBondContact OD1-N 2.57Å; L494-T496 PolarHBondContact O-N 3.01Å; L494-Q497 PolarHBondContact O-N 3.35Å; L494-A498 VanDerWaalsContact O-CB 3.3Å; L494-A498 WeakPolarHBondContact O-CB 3.44Å; L494-A498 PolarHBondContact O-N 3.06Å; L494-I514 HydrophobicContact CB-CG2 4.04Å; L494-I514 HydrophobicContact CD1-CG2 4.22Å; L494-I514 WeakPolarHBondContact CD1-O 3.36Å; L494-L515 HydrophobicContact CB-CD2 3.89Å; L494-R518 HydrophobicContact CD1-CB 4.46Å; L494-P520 HydrophobicContact CD2-CG 4.34Å |
| 495 | N | 91.2 | Very high | 88.5 | Confident | 38 Ų | 38 | 77.2 Ų | 77.2 | 20% | 0.203 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | -176.5 | -85.6 | -27.6 | 0 | 0 | 0 | 113.4 | N489 P490 D492 A498 A499 | N489-N495 PolarHBondContact O-ND2 2.89Å; P490-N495 PolarHBondContact O-ND2 3.43Å; D492-N495 WeakPolarHBondContact O-CB 3.04Å; D492-N495 PolarHBondContact O-N 3.43Å; N495-A498 PolarHBondContact O-N 3.32Å; N495-A499 WeakPolarHBondContact O-CB 3.34Å; N495-A499 PolarHBondContact O-N 2.83Å |
| 496 | T | 91.3 | Very high | 88.8 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 59% | 0.589 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.3 | -48.3 | 179.4 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | L494 A498 A499 E500 | L494-T496 PolarHBondContact O-N 3.01Å; T496-A498 VanDerWaalsContact C-N 3.33Å; T496-A498 PolarHBondContact O-N 3.33Å; T496-A499 PolarHBondContact O-N 3.42Å; T496-A499 VanDerWaalsContact O-N 3.16Å; T496-E500 WeakPolarHBondContact O-CG 3.41Å; T496-E500 PolarHBondContact O-N 3.27Å |
| 497 | Q | 93.2 | Very high | 89.3 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | -179.9 | -166.1 | 170.8 | 36.6 | 0 | 0 | 112 | L494 E500 I501 P520 | L494-Q497 PolarHBondContact O-N 3.35Å; Q497-E500 PolarHBondContact O-N 3.47Å; Q497-I501 HydrophobicContact CG-CD1 3.77Å; Q497-I501 HydrophobicContact CG-CG1 4.42Å; Q497-I501 WeakPolarHBondContact O-CB 3.11Å; Q497-I501 WeakPolarHBondContact O-CG1 3.42Å; Q497-I501 PolarHBondContact O-N 3.12Å; Q497-P520 VanDerWaalsContact CD-CG 3.45Å; Q497-P520 HydrophobicContact CG-CB 4.31Å; Q497-P520 HydrophobicContact CG-CG 4.35Å |
| 498 | A | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L494 N495 T496 C502 I514 L515 | L494-A498 VanDerWaalsContact O-CB 3.3Å; L494-A498 WeakPolarHBondContact O-CB 3.44Å; L494-A498 PolarHBondContact O-N 3.06Å; N495-A498 PolarHBondContact O-N 3.32Å; T496-A498 VanDerWaalsContact C-N 3.33Å; T496-A498 PolarHBondContact O-N 3.33Å; A498-C502 WeakPolarHBondContact O-CB 3.28Å; A498-C502 PolarHBondContact O-N 3.47Å; A498-C502 PolarHBondContact O-SG 2.89Å; A498-C502 VanDerWaalsContact O-SG 3.38Å; A498-I514 HydrophobicContact CB-CB 4.21Å; A498-I514 HydrophobicContact CB-CD1 4.12Å; A498-I514 HydrophobicContact CB-CG2 3.97Å; A498-L515 HydrophobicContact CB-CD2 4.36Å; A498-L515 HydrophobicContact CB-CG 4.4Å |
| 499 | A | 92.4 | Very high | 90.9 | Very high | 53 Ų | 53 | 65.2 Ų | 65.2 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68 | -35 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N495 T496 | N495-A499 WeakPolarHBondContact O-CB 3.34Å; N495-A499 PolarHBondContact O-N 2.83Å; T496-A499 PolarHBondContact O-N 3.42Å; T496-A499 VanDerWaalsContact O-N 3.16Å |
| 500 | E | 94.4 | Very high | 91.4 | Very high | 138 Ų | 138 | 62 Ų | 62 | 65% | 0.645 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.4 | -43.1 | 177.4 | -72.1 | 174 | 179.9 | 0 | 0 | 112.6 | T496 Q497 | T496-E500 WeakPolarHBondContact O-CG 3.41Å; T496-E500 PolarHBondContact O-N 3.27Å; Q497-E500 PolarHBondContact O-N 3.47Å |
| 501 | I | 94.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 16% | 0.159 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -77.7 | -48.1 | -177.8 | -64.7 | 173.1 | 0 | 0 | 0 | 110.7 | Q497 T503 I514 P520 N524 R527 | Q497-I501 HydrophobicContact CG-CD1 3.77Å; Q497-I501 HydrophobicContact CG-CG1 4.42Å; Q497-I501 WeakPolarHBondContact O-CB 3.11Å; Q497-I501 WeakPolarHBondContact O-CG1 3.42Å; Q497-I501 PolarHBondContact O-N 3.12Å; I501-T503 PolarHBondContact O-N 3.36Å; I501-I514 HydrophobicContact CB-CD1 4.17Å; I501-I514 HydrophobicContact CD1-CD1 4.19Å; I501-I514 HydrophobicContact CG2-CD1 4.25Å; I501-P520 HydrophobicContact CD1-CB 3.82Å; I501-N524 HydrophobicContact CG2-CB 3.91Å; I501-R527 WeakPolarHBondContact O-CD 3.39Å; I501-R527 PolarHBondContact O-NH1 3Å |
| 502 | C | 94.7 | Very high | 92.1 | Very high | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.054 | 31% | 0.307 | C | S | . | . | trans | -91.7 | 90.2 | -169.7 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | A498 C510 R511 I514 | A498-C502 WeakPolarHBondContact O-CB 3.28Å; A498-C502 PolarHBondContact O-N 3.47Å; A498-C502 PolarHBondContact O-SG 2.89Å; A498-C502 VanDerWaalsContact O-SG 3.38Å; C502-C510 WeakPolarHBondContact CA-SG 3.06Å; C502-C510 HydrophobicContact CB-CB 3.6Å; C502-C510 WeakPolarHBondContact CB-SG 3.49Å; C502-C510 WeakPolarHBondContact SG-CB 3.35Å; C502-C510 PolarHBondContact SG-O 2.7Å; C502-C510 CovalentContact SG-SG 2.03Å; C502-C510 PolarHBondContact SG-SG 3.26Å; C502-R511 HydrophobicContact CB-CG 3.58Å; C502-R511 PolarHBondContact SG-N 3.32Å; C502-I514 VanDerWaalsContact SG-CD1 3.51Å | ||
| 503 | T | 90.9 | Very high | 92.3 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | trans | -121.5 | 152.6 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | I501 | I501-T503 PolarHBondContact O-N 3.36Š| ||
| 504 | G | 91.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 49 Ų | 49 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 81.4 | -163.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S507 | G504-S507 WeakPolarHBondContact O-CB 3.22Å; G504-S507 PolarHBondContact O-N 3Å; G504-S507 PolarHBondContact O-OG 3.19Å |
| 505 | E | 90.4 | Very high | 92.2 | Very high | 154 Ų | 154 | 48 Ų | 48 | 72% | 0.72 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 142.5 | 175.3 | -165.8 | -179.9 | -176.7 | 0 | 0 | 110.7 | S507 F530 | E505-S507 PolarHBondContact O-N 2.88Å; E505-F530 VanDerWaalsContact C-CE1 3.45Å; E505-F530 HydrophobicContact CB-CE1 4.05Å; E505-F530 HydrophobicContact CB-CZ 4.4Å; E505-F530 HydrophobicContact CG-CE1 4.01Å; E505-F530 HydrophobicContact CG-CZ 3.85Å; E505-F530 WeakPolarHBondContact O-CD1 3Å; E505-F530 WeakPolarHBondContact O-CE1 3.47Å |
| 506 | G | 89.3 | Confident | 92.1 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 3.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q508 F509 | G506-Q508 VanDerWaalsContact C-OE1 3.22Å; G506-Q508 VanDerWaalsContact CA-OE1 3.3Å; G506-Q508 PolarHBondContact O-N 3.47Å; G506-F509 WeakPolarHBondContact O-CB 3.32Å; G506-F509 PolarHBondContact O-N 3.4Å; G506-F509 VanDerWaalsContact O-N 3.11Å |
| 507 | S | 92.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -27.7 | 179.1 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | G504 E505 F509 C510 R511 | G504-S507 WeakPolarHBondContact O-CB 3.22Å; G504-S507 PolarHBondContact O-N 3Å; G504-S507 PolarHBondContact O-OG 3.19Å; E505-S507 PolarHBondContact O-N 2.88Å; S507-F509 VanDerWaalsContact C-N 3.31Å; S507-F509 PolarHBondContact O-N 2.97Å; S507-C510 PolarHBondContact O-N 3.13Å; S507-R511 WeakPolarHBondContact O-CB 3.19Å; S507-R511 VanDerWaalsContact O-CG 3.25Å; S507-R511 WeakPolarHBondContact O-CG 3.36Å; S507-R511 PolarHBondContact O-N 3.1Å |
| 508 | Q | 91.8 | Very high | 91.6 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.1 | -39 | 175.5 | 70.5 | -75.2 | 1.3 | 0 | 0 | 112.9 | G506 Y512 | G506-Q508 VanDerWaalsContact C-OE1 3.22Å; G506-Q508 VanDerWaalsContact CA-OE1 3.3Å; G506-Q508 PolarHBondContact O-N 3.47Å; Q508-Y512 WeakPolarHBondContact O-CB 3.42Å; Q508-Y512 PolarHBondContact O-N 3.46Å; Q508-Y512 VanDerWaalsContact O-N 3.08Å |
| 509 | F | 93.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -55.3 | 176.7 | -62.2 | -49.6 | 0 | 0 | 0 | 109.9 | F271 H275 G506 S507 R511 Y512 D513 T526 F530 | F271-F509 HydrophobicContact CE2-CB 4.27Å; F271-F509 HydrophobicContact CE2-CD2 4.13Å; F271-F509 HydrophobicContact CE2-CG 4.27Å; F271-F509 AromaticContact CZ-CD2 3.89Å; F271-F509 HydrophobicContact CZ-CD2 3.89Å; F271-F509 HydrophobicContact CZ-CE2 4.16Å; F271-F509 HydrophobicContact CZ-CG 4.27Å; H275-F509 HydrophobicContact CB-CD1 3.98Å; H275-F509 HydrophobicContact CB-CE1 4.2Å; H275-F509 HydrophobicContact CB-CG 4.44Å; H275-F509 VanDerWaalsContact CD2-CB 3.47Å; H275-F509 WeakPolarHBondContact CD2-CB 3.42Å; H275-F509 AromaticContact CD2-CD1 3.68Å; H275-F509 AromaticContact CD2-CG 3.78Å; H275-F509 AromaticContact CE1-CD1 3.72Å; H275-F509 AromaticContact CG-CD1 3.42Å; H275-F509 VanDerWaalsContact CG-CD1 3.42Å; H275-F509 AromaticContact CG-CG 3.93Å; H275-F509 AromaticContact ND1-CD1 3.45Å; H275-F509 WeakPolarHBondContact ND1-CD1 3.38Å; H275-F509 WeakPolarHBondContact NE2-CB 3.41Å; H275-F509 AromaticContact NE2-CD1 3.78Å; H275-F509 AromaticContact NE2-CG 4Å; G506-F509 WeakPolarHBondContact O-CB 3.32Å; G506-F509 PolarHBondContact O-N 3.4Å; G506-F509 VanDerWaalsContact O-N 3.11Å; S507-F509 VanDerWaalsContact C-N 3.31Å; S507-F509 PolarHBondContact O-N 2.97Å; F509-R511 VanDerWaalsContact C-N 3.3Å; F509-R511 PolarHBondContact O-N 3.45Å; F509-Y512 WeakPolarHBondContact O-CB 3.41Å; F509-Y512 PolarHBondContact O-N 2.04Å; F509-Y512 VanDerWaalsContact O-N 3.12Å; F509-D513 PolarHBondContact O-N 3.44Å; F509-D513 VanDerWaalsContact O-N 3.08Å; F509-D513 VanDerWaalsContact O-OD1 3.06Å; F509-T526 HydrophobicContact CB-CG2 3.88Å; F509-F530 HydrophobicContact CD2-CD2 4.05Å; F509-F530 HydrophobicContact CD2-CE2 4.31Å; F509-F530 HydrophobicContact CE2-CD2 4.19Å; F509-F530 HydrophobicContact CE2-CE2 4.08Å |
| 510 | C | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54 | -44.1 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 112.8 | C502 S507 D513 I514 G523 R527 | C502-C510 WeakPolarHBondContact CA-SG 3.06Å; C502-C510 HydrophobicContact CB-CB 3.6Å; C502-C510 WeakPolarHBondContact CB-SG 3.49Å; C502-C510 WeakPolarHBondContact SG-CB 3.35Å; C502-C510 PolarHBondContact SG-O 2.7Å; C502-C510 CovalentContact SG-SG 2.03Å; C502-C510 PolarHBondContact SG-SG 3.26Å; S507-C510 PolarHBondContact O-N 3.13Å; C510-D513 PolarHBondContact O-N 3.26Å; C510-I514 WeakPolarHBondContact O-CG1 3.16Å; C510-I514 PolarHBondContact O-N 3.37Å; C510-I514 VanDerWaalsContact O-N 3.17Å; C510-G523 PolarHBondContact SG-O 2.03Å; C510-R527 HydrophobicContact CB-CB 4.19Å |
| 511 | R | 93.1 | Very high | 91.2 | Very high | 85 Ų | 85 | 42 Ų | 42 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.4 | -41.5 | -179.6 | -75 | 178.1 | 69.6 | 79.9 | 4 | 111.6 | C502 S507 F509 I514 L515 | C502-R511 HydrophobicContact CB-CG 3.58Å; C502-R511 PolarHBondContact SG-N 3.32Å; S507-R511 WeakPolarHBondContact O-CB 3.19Å; S507-R511 VanDerWaalsContact O-CG 3.25Å; S507-R511 WeakPolarHBondContact O-CG 3.36Å; S507-R511 PolarHBondContact O-N 3.1Å; F509-R511 VanDerWaalsContact C-N 3.3Å; F509-R511 PolarHBondContact O-N 3.45Å; R511-I514 PolarHBondContact O-N 2.88Å; R511-L515 WeakPolarHBondContact O-CB 3.4Å; R511-L515 VanDerWaalsContact O-CG 3.32Å; R511-L515 WeakPolarHBondContact O-CG 3.39Å; R511-L515 PolarHBondContact O-N 3.5Å |
| 512 | Y | 91.3 | Very high | 91 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 9% | 0.09 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -50.6 | 176.5 | 178.3 | -82 | 0 | 0 | 0 | 110.5 | D273 N287 V483 V486 Q508 F509 I514 L515 V516 | D273-Y512 VanDerWaalsContact OD1-CD1 3.3Å; D273-Y512 WeakPolarHBondContact OD1-CD1 3.36Å; D273-Y512 VanDerWaalsContact OD1-CE1 3.23Å; D273-Y512 WeakPolarHBondContact OD1-CE1 3.42Å; D273-Y512 WeakPolarHBondContact OD2-CD1 3.12Å; D273-Y512 WeakPolarHBondContact OD2-CE1 3.29Å; N287-Y512 PolarHBondContact ND2-OH 3.29Å; V483-Y512 VanDerWaalsContact O-CE2 3.28Å; V483-Y512 WeakPolarHBondContact O-CE2 3.38Å; V483-Y512 PolarHBondContact O-OH 3.11Å; V486-Y512 HydrophobicContact CG2-CD2 3.67Å; V486-Y512 HydrophobicContact CG2-CG 4.17Å; Q508-Y512 WeakPolarHBondContact O-CB 3.42Å; Q508-Y512 PolarHBondContact O-N 3.46Å; Q508-Y512 VanDerWaalsContact O-N 3.08Å; F509-Y512 WeakPolarHBondContact O-CB 3.41Å; F509-Y512 PolarHBondContact O-N 2.04Å; F509-Y512 VanDerWaalsContact O-N 3.12Å; Y512-I514 VanDerWaalsContact C-N 3.3Å; Y512-I514 PolarHBondContact O-N 2.91Å; Y512-L515 PolarHBondContact O-N 2.94Å; Y512-L515 VanDerWaalsContact O-N 3.17Å; Y512-V516 HydrophobicContact CD1-CB 4.37Å; Y512-V516 HydrophobicContact CD1-CG2 4.33Å; Y512-V516 HydrophobicContact CD2-CG2 3.89Å; Y512-V516 HydrophobicContact CE1-CB 4.13Å; Y512-V516 HydrophobicContact CE1-CG1 4.28Å; Y512-V516 HydrophobicContact CE1-CG2 4.19Å; Y512-V516 HydrophobicContact CE2-CG2 3.76Å; Y512-V516 HydrophobicContact CG-CG2 4.18Å; Y512-V516 WeakPolarHBondContact O-CB 3.39Å; Y512-V516 PolarHBondContact O-N 3.25Å |
| 513 | D | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -34.6 | -178.8 | -70.7 | 30.7 | 0 | 0 | 0 | 113.5 | G272 D273 H275 F509 C510 G517 I522 T526 | G272-D513 WeakPolarHBondContact CA-OD2 3.14Å; D273-D513 PolarHBondContact N-OD2 3.48Å; H275-D513 IonicContact CD2-OD1 2.92Å; H275-D513 IonicContact CE1-OD1 2.73Å; H275-D513 IonicContact NE2-OD1 3.44Å; H275-D513 PolarHBondContact NE2-OD1 3.31Å; H275-D513 IonicContact NE2-OD2 2.67Å; F509-D513 PolarHBondContact O-N 3.44Å; F509-D513 VanDerWaalsContact O-N 3.08Å; F509-D513 VanDerWaalsContact O-OD1 3.06Å; C510-D513 PolarHBondContact O-N 3.26Å; D513-G517 WeakPolarHBondContact O-CA 3.49Å; D513-G517 PolarHBondContact O-N 2.76Å; D513-I522 HydrophobicContact CB-CG2 3.83Å; D513-T526 WeakPolarHBondContact OD2-CB 3.45Å; D513-T526 WeakPolarHBondContact OD2-CG2 3.4Å; D513-T526 PolarHBondContact OD2-OG1 2.9Å |
| 514 | I | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71 | -48.3 | 175.8 | -63.6 | -178.9 | 0 | 0 | 0 | 110.7 | L494 A498 I501 C502 C510 R511 Y512 R518 S519 | L494-I514 HydrophobicContact CB-CG2 4.04Å; L494-I514 HydrophobicContact CD1-CG2 4.22Å; L494-I514 WeakPolarHBondContact CD1-O 3.36Å; A498-I514 HydrophobicContact CB-CB 4.21Å; A498-I514 HydrophobicContact CB-CD1 4.12Å; A498-I514 HydrophobicContact CB-CG2 3.97Å; I501-I514 HydrophobicContact CB-CD1 4.17Å; I501-I514 HydrophobicContact CD1-CD1 4.19Å; I501-I514 HydrophobicContact CG2-CD1 4.25Å; C502-I514 VanDerWaalsContact SG-CD1 3.51Å; C510-I514 WeakPolarHBondContact O-CG1 3.16Å; C510-I514 PolarHBondContact O-N 3.37Å; C510-I514 VanDerWaalsContact O-N 3.17Å; R511-I514 PolarHBondContact O-N 2.88Å; Y512-I514 VanDerWaalsContact C-N 3.3Å; Y512-I514 PolarHBondContact O-N 2.91Å; I514-R518 WeakPolarHBondContact O-CA 3.34Å; I514-R518 PolarHBondContact O-N 2.83Å; I514-S519 PolarHBondContact O-N 2.87Å |
| 515 | L | 90.4 | Very high | 91.2 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -80.8 | -35 | -169.6 | -64.2 | 173.9 | 0 | 0 | 0 | 112.4 | V486 L494 A498 R511 Y512 R518 | V486-L515 HydrophobicContact CG1-CB 3.71Å; V486-L515 HydrophobicContact CG1-CD1 3.52Å; V486-L515 HydrophobicContact CG1-CG 4.25Å; L494-L515 HydrophobicContact CB-CD2 3.89Å; A498-L515 HydrophobicContact CB-CD2 4.36Å; A498-L515 HydrophobicContact CB-CG 4.4Å; R511-L515 WeakPolarHBondContact O-CB 3.4Å; R511-L515 VanDerWaalsContact O-CG 3.32Å; R511-L515 WeakPolarHBondContact O-CG 3.39Å; R511-L515 PolarHBondContact O-N 3.5Å; Y512-L515 PolarHBondContact O-N 2.94Å; Y512-L515 VanDerWaalsContact O-N 3.17Å; L515-R518 WeakPolarHBondContact O-CD 3.23Å; L515-R518 PolarHBondContact O-NE 3.39Å |
| 516 | V | 88.1 | Confident | 91.5 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -51.4 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | I318 A320 V483 V486 Y512 R518 | I318-V516 HydrophobicContact CG2-CG1 4.42Å; I318-V516 WeakPolarHBondContact CG2-O 3.46Å; A320-V516 HydrophobicContact CB-CG1 4.05Å; V483-V516 HydrophobicContact CB-CG1 3.83Å; V483-V516 HydrophobicContact CB-CG2 4.48Å; V483-V516 HydrophobicContact CG1-CG1 4.23Å; V483-V516 HydrophobicContact CG1-CG2 4.04Å; V483-V516 HydrophobicContact CG2-CG1 4.15Å; V486-V516 HydrophobicContact CG2-CG2 4.35Å; Y512-V516 HydrophobicContact CD1-CB 4.37Å; Y512-V516 HydrophobicContact CD1-CG2 4.33Å; Y512-V516 HydrophobicContact CD2-CG2 3.89Å; Y512-V516 HydrophobicContact CE1-CB 4.13Å; Y512-V516 HydrophobicContact CE1-CG1 4.28Å; Y512-V516 HydrophobicContact CE1-CG2 4.19Å; Y512-V516 HydrophobicContact CE2-CG2 3.76Å; Y512-V516 HydrophobicContact CG-CG2 4.18Å; Y512-V516 WeakPolarHBondContact O-CB 3.39Å; Y512-V516 PolarHBondContact O-N 3.25Å; V516-R518 PolarHBondContact O-N 2.92Å |
| 517 | G | 86 | Confident | 91.8 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -6.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I318 D513 S519 | I318-G517 WeakPolarHBondContact CD1-O 3.04Å; D513-G517 WeakPolarHBondContact O-CA 3.49Å; D513-G517 PolarHBondContact O-N 2.76Å; G517-S519 PolarHBondContact O-N 2.99Å; G517-S519 VanDerWaalsContact O-N 3.12Å |
| 518 | R | 87.4 | Confident | 91.9 | Very high | 103 Ų | 103 | 33.3 Ų | 33.3 | 39% | 0.389 | 16% | 0.16 | S | C | . | . | trans | 54.7 | 27.3 | 179 | -59.6 | -59.2 | -172.8 | 172.9 | -9.3 | 114 | I318 D492 L494 I514 L515 V516 | I318-R518 HydrophobicContact CD1-CB 4.36Å; I318-R518 HydrophobicContact CD1-CG 4.43Å; D492-R518 IonicContact OD1-NH1 3.98Å; D492-R518 PolarHBondContact OD1-NH1 2.88Å; D492-R518 IonicContact OD2-CZ 3.6Å; D492-R518 VanDerWaalsContact OD2-CZ 3.23Å; D492-R518 IonicContact OD2-NH1 2.99Å; D492-R518 PolarHBondContact OD2-NH1 3.09Å; D492-R518 IonicContact OD2-NH2 2.86Å; D492-R518 PolarHBondContact OD2-NH2 3.27Å; L494-R518 HydrophobicContact CD1-CB 4.46Å; I514-R518 WeakPolarHBondContact O-CA 3.34Å; I514-R518 PolarHBondContact O-N 2.83Å; L515-R518 WeakPolarHBondContact O-CD 3.23Å; L515-R518 PolarHBondContact O-NE 3.39Å; V516-R518 PolarHBondContact O-N 2.92Å | ||
| 519 | S | 89.3 | Confident | 92.2 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 13% | 0.126 | 14% | 0.137 | C | C | . | . | trans | -136.9 | 110.5 | -174.3 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | I514 G517 L521 I522 G523 | I514-S519 PolarHBondContact O-N 2.87Å; G517-S519 PolarHBondContact O-N 2.99Å; G517-S519 VanDerWaalsContact O-N 3.12Å; S519-L521 PolarHBondContact O-N 2.88Å; S519-L521 PolarHBondContact OG-N 3.31Å; S519-I522 PolarHBondContact O-N 3.49Å; S519-I522 PolarHBondContact OG-N 3.21Å; S519-G523 PolarHBondContact O-N 3.13Å | ||
| 520 | P | 91.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 28.5 Ų | 28.5 | 19% | 0.188 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.2 | -28.5 | 171.9 | -23.7 | 34.4 | 0 | 0 | 0 | 113.1 | L494 Q497 I501 N524 | L494-P520 HydrophobicContact CD2-CG 4.34Å; Q497-P520 VanDerWaalsContact CD-CG 3.45Å; Q497-P520 HydrophobicContact CG-CB 4.31Å; Q497-P520 HydrophobicContact CG-CG 4.35Å; I501-P520 HydrophobicContact CD1-CB 3.82Å; P520-N524 WeakPolarHBondContact O-CB 3.32Å; P520-N524 PolarHBondContact O-N 3.22Å |
| 521 | L | 90.6 | Very high | 92.5 | Very high | 115 Ų | 115 | 33 Ų | 33 | 60% | 0.602 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -68.9 | -42.3 | 178.3 | -65 | 176.7 | 0 | 0 | 0 | 111.6 | S519 A525 | S519-L521 PolarHBondContact O-N 2.88Å; S519-L521 PolarHBondContact OG-N 3.31Å; L521-A525 WeakPolarHBondContact O-CB 3.37Å; L521-A525 PolarHBondContact O-N 2.89Å |
| 522 | I | 90.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -51.7 | 175.9 | -64.5 | 178.8 | 0 | 0 | 0 | 109.2 | V311 E395 T396 D513 S519 N524 A525 T526 | V311-I522 HydrophobicContact CG1-CD1 4.22Å; E395-I522 HydrophobicContact CB-CG1 4.48Å; T396-I522 HydrophobicContact CG2-CB 4.26Å; T396-I522 HydrophobicContact CG2-CG1 4.26Å; T396-I522 HydrophobicContact CG2-CG2 3.64Å; D513-I522 HydrophobicContact CB-CG2 3.83Å; S519-I522 PolarHBondContact O-N 3.49Å; S519-I522 PolarHBondContact OG-N 3.21Å; I522-N524 PolarHBondContact O-N 2.94Å; I522-A525 WeakPolarHBondContact O-CA 3.36Å; I522-A525 WeakPolarHBondContact O-CB 3.48Å; I522-A525 PolarHBondContact O-N 3.19Å; I522-T526 PolarHBondContact O-N 3.34Å; I522-T526 PolarHBondContact O-OG1 2.92Å; I522-T526 VanDerWaalsContact O-OG1 3.12Å |
| 523 | G | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C510 S519 A525 T526 R527 | C510-G523 PolarHBondContact SG-O 2.03Å; S519-G523 PolarHBondContact O-N 3.13Å; G523-A525 VanDerWaalsContact C-N 3.32Å; G523-A525 PolarHBondContact O-N 2.81Å; G523-T526 WeakPolarHBondContact O-CB 3.48Å; G523-T526 PolarHBondContact O-N 3.3Å; G523-R527 PolarHBondContact O-N 3.01Å |
| 524 | N | 94.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 34.1 Ų | 34.1 | 31% | 0.305 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 174.2 | -175.3 | 41.5 | 0 | 0 | 0 | 111.9 | I501 P520 I522 T526 R527 V528 | I501-N524 HydrophobicContact CG2-CB 3.91Å; P520-N524 WeakPolarHBondContact O-CB 3.32Å; P520-N524 PolarHBondContact O-N 3.22Å; I522-N524 PolarHBondContact O-N 2.94Å; N524-T526 VanDerWaalsContact C-N 3.33Å; N524-R527 PolarHBondContact O-N 3.06Å; N524-R527 PolarHBondContact OD1-NE 2.98Å; N524-R527 PolarHBondContact OD1-NH2 3.34Å; N524-V528 WeakPolarHBondContact O-CG2 3.39Å; N524-V528 PolarHBondContact O-N 2.94Å |
| 525 | A | 94.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R393 T396 L521 I522 G523 V528 S529 | R393-A525 HydrophobicContact CB-CB 3.82Å; R393-A525 VanDerWaalsContact O-CB 3.22Å; R393-A525 WeakPolarHBondContact O-CB 3.27Å; T396-A525 HydrophobicContact CG2-CB 4.44Å; T396-A525 WeakPolarHBondContact OG1-CB 3.44Å; L521-A525 WeakPolarHBondContact O-CB 3.37Å; L521-A525 PolarHBondContact O-N 2.89Å; I522-A525 WeakPolarHBondContact O-CA 3.36Å; I522-A525 WeakPolarHBondContact O-CB 3.48Å; I522-A525 PolarHBondContact O-N 3.19Å; G523-A525 VanDerWaalsContact C-N 3.32Å; G523-A525 PolarHBondContact O-N 2.81Å; A525-V528 PolarHBondContact O-N 3.37Å; A525-S529 WeakPolarHBondContact O-CB 3.26Å; A525-S529 PolarHBondContact O-N 2.95Å; A525-S529 PolarHBondContact O-OG 3.29Å |
| 526 | T | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 174.8 | -61 | 0 | 0 | 0 | 0 | 111.6 | F271 G272 F509 D513 I522 G523 N524 V528 S529 F530 | F271-T526 HydrophobicContact CD2-CG2 3.82Å; F271-T526 HydrophobicContact CE2-CG2 3.89Å; G272-T526 WeakPolarHBondContact CA-OG1 3.34Å; F509-T526 HydrophobicContact CB-CG2 3.88Å; D513-T526 WeakPolarHBondContact OD2-CB 3.45Å; D513-T526 WeakPolarHBondContact OD2-CG2 3.4Å; D513-T526 PolarHBondContact OD2-OG1 2.9Å; I522-T526 PolarHBondContact O-N 3.34Å; I522-T526 PolarHBondContact O-OG1 2.92Å; I522-T526 VanDerWaalsContact O-OG1 3.12Å; G523-T526 WeakPolarHBondContact O-CB 3.48Å; G523-T526 PolarHBondContact O-N 3.3Å; N524-T526 VanDerWaalsContact C-N 3.33Å; T526-V528 PolarHBondContact O-N 3.46Å; T526-S529 PolarHBondContact O-N 3.2Å; T526-F530 WeakPolarHBondContact O-CB 3.35Å; T526-F530 PolarHBondContact O-N 3.48Å |
| 527 | R | 95.6 | Very high | 94.4 | Very high | 67 Ų | 67 | 40.2 Ų | 40.2 | 25% | 0.253 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 173.2 | -178.9 | -175.2 | 69.3 | 161.1 | 5.6 | 112.1 | I501 C510 G523 N524 S529 F530 Q531 | I501-R527 WeakPolarHBondContact O-CD 3.39Å; I501-R527 PolarHBondContact O-NH1 3Å; C510-R527 HydrophobicContact CB-CB 4.19Å; G523-R527 PolarHBondContact O-N 3.01Å; N524-R527 PolarHBondContact O-N 3.06Å; N524-R527 PolarHBondContact OD1-NE 2.98Å; N524-R527 PolarHBondContact OD1-NH2 3.34Å; R527-S529 VanDerWaalsContact C-N 3.29Å; R527-S529 PolarHBondContact O-N 2.82Å; R527-F530 PolarHBondContact O-N 3.22Å; R527-Q531 WeakPolarHBondContact O-CB 3.26Å; R527-Q531 VanDerWaalsContact O-CG 3.31Å; R527-Q531 WeakPolarHBondContact O-CG 3.27Å; R527-Q531 PolarHBondContact O-N 3.01Å |
| 528 | V | 95.6 | Very high | 95 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 179.4 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | N524 A525 T526 S532 | N524-V528 WeakPolarHBondContact O-CG2 3.39Å; N524-V528 PolarHBondContact O-N 2.94Å; A525-V528 PolarHBondContact O-N 3.37Å; T526-V528 PolarHBondContact O-N 3.46Å; V528-S532 WeakPolarHBondContact O-CB 3.35Å; V528-S532 PolarHBondContact O-N 3.04Å; V528-S532 PolarHBondContact O-OG 3.49Å |
| 529 | S | 97.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 179.2 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | T398 A525 T526 R527 S532 H533 | T398-S529 WeakPolarHBondContact OG1-CB 3.31Å; T398-S529 PolarHBondContact OG1-OG 3.25Å; A525-S529 WeakPolarHBondContact O-CB 3.26Å; A525-S529 PolarHBondContact O-N 2.95Å; A525-S529 PolarHBondContact O-OG 3.29Å; T526-S529 PolarHBondContact O-N 3.2Å; R527-S529 VanDerWaalsContact C-N 3.29Å; R527-S529 PolarHBondContact O-N 2.82Å; S529-S532 PolarHBondContact O-N 3.43Å; S529-H533 PolarHBondContact O-N 3.05Å |
| 530 | F | 97.3 | Very high | 96 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -50.4 | 173.6 | 179.9 | -92.8 | 0 | 0 | 0 | 111.4 | F271 I277 E505 F509 T526 R527 S532 H533 V534 | F271-F530 HydrophobicContact CE2-CB 3.95Å; F271-F530 HydrophobicContact CE2-CD2 4.24Å; F271-F530 HydrophobicContact CZ-CB 4.41Å; F271-F530 AromaticContact CZ-CD2 3.91Å; F271-F530 HydrophobicContact CZ-CD2 3.91Å; I277-F530 HydrophobicContact CD1-CD2 4.01Å; I277-F530 HydrophobicContact CD1-CE2 3.9Å; E505-F530 VanDerWaalsContact C-CE1 3.45Å; E505-F530 HydrophobicContact CB-CE1 4.05Å; E505-F530 HydrophobicContact CB-CZ 4.4Å; E505-F530 HydrophobicContact CG-CE1 4.01Å; E505-F530 HydrophobicContact CG-CZ 3.85Å; E505-F530 WeakPolarHBondContact O-CD1 3Å; E505-F530 WeakPolarHBondContact O-CE1 3.47Å; F509-F530 HydrophobicContact CD2-CD2 4.05Å; F509-F530 HydrophobicContact CD2-CE2 4.31Å; F509-F530 HydrophobicContact CE2-CD2 4.19Å; F509-F530 HydrophobicContact CE2-CE2 4.08Å; T526-F530 WeakPolarHBondContact O-CB 3.35Å; T526-F530 PolarHBondContact O-N 3.48Å; R527-F530 PolarHBondContact O-N 3.22Å; F530-S532 VanDerWaalsContact C-N 3.29Å; F530-S532 PolarHBondContact O-N 3.38Å; F530-H533 PolarHBondContact O-N 2.85Å; F530-H533 VanDerWaalsContact O-N 3.16Å; F530-V534 HydrophobicContact CD1-CG2 4.1Å; F530-V534 HydrophobicContact CE1-CG2 3.61Å; F530-V534 HydrophobicContact CE2-CG2 4.37Å; F530-V534 HydrophobicContact CZ-CG2 3.76Å; F530-V534 WeakPolarHBondContact O-CG2 3.43Å; F530-V534 PolarHBondContact O-N 3.41Å |
| 531 | Q | 96.9 | Very high | 96.2 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 177.5 | -72.8 | 173.9 | -16.6 | 0 | 0 | 112.3 | R527 V534 S535 | R527-Q531 WeakPolarHBondContact O-CB 3.26Å; R527-Q531 VanDerWaalsContact O-CG 3.31Å; R527-Q531 WeakPolarHBondContact O-CG 3.27Å; R527-Q531 PolarHBondContact O-N 3.01Å; Q531-V534 PolarHBondContact O-N 3.22Å; Q531-S535 WeakPolarHBondContact O-CB 2.86Å; Q531-S535 PolarHBondContact O-N 3.29Å |
| 532 | S | 97.2 | Very high | 96.4 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | V528 S529 F530 S535 L536 | V528-S532 WeakPolarHBondContact O-CB 3.35Å; V528-S532 PolarHBondContact O-N 3.04Å; V528-S532 PolarHBondContact O-OG 3.49Å; S529-S532 PolarHBondContact O-N 3.43Å; F530-S532 VanDerWaalsContact C-N 3.29Å; F530-S532 PolarHBondContact O-N 3.38Å; S532-S535 PolarHBondContact O-N 3.38Å; S532-L536 WeakPolarHBondContact O-CB 3.37Å; S532-L536 PolarHBondContact O-N 2.99Å |
| 533 | H | 97.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 176.1 | 177.8 | 74.2 | 0 | 0 | 0 | 112.1 | S267 V269 S529 F530 S535 L536 V537 | S267-H533 PolarHBondContact OG-CE1 2.8Å; S267-H533 VanDerWaalsContact OG-CE1 3.31Å; V269-H533 HydrophobicContact CB-CB 4.43Å; V269-H533 HydrophobicContact CG1-CB 3.9Å; V269-H533 WeakPolarHBondContact CG1-ND1 3.42Å; S529-H533 PolarHBondContact O-N 3.05Å; F530-H533 PolarHBondContact O-N 2.85Å; F530-H533 VanDerWaalsContact O-N 3.16Å; H533-S535 VanDerWaalsContact C-N 3.33Å; H533-S535 PolarHBondContact O-N 2.97Å; H533-L536 WeakPolarHBondContact O-CB 3.34Å; H533-L536 PolarHBondContact O-N 3.45Å; H533-V537 WeakPolarHBondContact O-CG2 3.35Å; H533-V537 PolarHBondContact O-N 3.06Å |
| 534 | V | 97.9 | Very high | 96.9 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | F530 Q531 V537 D538 | F530-V534 HydrophobicContact CD1-CG2 4.1Å; F530-V534 HydrophobicContact CE1-CG2 3.61Å; F530-V534 HydrophobicContact CE2-CG2 4.37Å; F530-V534 HydrophobicContact CZ-CG2 3.76Å; F530-V534 WeakPolarHBondContact O-CG2 3.43Å; F530-V534 PolarHBondContact O-N 3.41Å; Q531-V534 PolarHBondContact O-N 3.22Å; V534-V537 PolarHBondContact O-N 3.42Å; V534-D538 PolarHBondContact O-N 2.86Å |
| 535 | S | 98.1 | Very high | 97 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 44% | 0.441 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.9 | -168.9 | 0 | 0 | 0 | 0 | 111.8 | Q531 S532 H533 V537 D538 D539 | Q531-S535 WeakPolarHBondContact O-CB 2.86Å; Q531-S535 PolarHBondContact O-N 3.29Å; S532-S535 PolarHBondContact O-N 3.38Å; H533-S535 VanDerWaalsContact C-N 3.33Å; H533-S535 PolarHBondContact O-N 2.97Å; S535-V537 PolarHBondContact O-N 2.85Å; S535-D538 WeakPolarHBondContact O-CB 3.39Å; S535-D538 PolarHBondContact O-N 3.42Å; S535-D539 PolarHBondContact O-N 3.45Å |
| 536 | L | 98.5 | Very high | 97 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 177.4 | 176.1 | 71.2 | 0 | 0 | 0 | 111.7 | A143 T400 L402 S532 H533 D538 D539 L540 | A143-L536 HydrophobicContact CB-CD1 3.68Å; T400-L536 HydrophobicContact CG2-CD2 3.57Å; L402-L536 HydrophobicContact CD2-CD2 4.24Å; S532-L536 WeakPolarHBondContact O-CB 3.37Å; S532-L536 PolarHBondContact O-N 2.99Å; H533-L536 WeakPolarHBondContact O-CB 3.34Å; H533-L536 PolarHBondContact O-N 3.45Å; L536-D538 VanDerWaalsContact C-N 3.3Å; L536-D538 PolarHBondContact O-N 2.87Å; L536-D539 PolarHBondContact O-N 2.89Å; L536-L540 HydrophobicContact CD1-CD1 4.11Å; L536-L540 HydrophobicContact CD1-CG 4.45Å; L536-L540 HydrophobicContact CG-CD1 4.03Å; L536-L540 WeakPolarHBondContact O-CB 3.46Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.43Å; L536-L540 PolarHBondContact O-N 3.09Å |
| 537 | V | 98.2 | Very high | 97 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | S267 H533 V534 S535 L540 K541 | S267-V537 VanDerWaalsContact OG-CG2 3.28Å; S267-V537 WeakPolarHBondContact OG-CG2 3.48Å; H533-V537 WeakPolarHBondContact O-CG2 3.35Å; H533-V537 PolarHBondContact O-N 3.06Å; V534-V537 PolarHBondContact O-N 3.42Å; S535-V537 PolarHBondContact O-N 2.85Å; V537-L540 PolarHBondContact O-N 3.33Å; V537-K541 PolarHBondContact O-N 3.13Å |
| 538 | D | 98.3 | Very high | 96.9 | Very high | 85 Ų | 85 | 50.1 Ų | 50.1 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 175.1 | -166.1 | 62.5 | 0 | 0 | 0 | 112 | V534 S535 L536 L540 K541 | V534-D538 PolarHBondContact O-N 2.86Å; S535-D538 WeakPolarHBondContact O-CB 3.39Å; S535-D538 PolarHBondContact O-N 3.42Å; L536-D538 VanDerWaalsContact C-N 3.3Å; L536-D538 PolarHBondContact O-N 2.87Å; D538-L540 PolarHBondContact O-N 3.47Å; D538-K541 WeakPolarHBondContact O-CB 3.41Å; D538-K541 WeakPolarHBondContact O-CG 3.41Å; D538-K541 PolarHBondContact O-N 2.96Å; D538-K541 VanDerWaalsContact O-N 3.14Å; D538-K541 WeakPolarHBondContact OD1-CD 3.46Å; D538-K541 VanDerWaalsContact OD1-CE 3.28Å; D538-K541 WeakPolarHBondContact OD1-CE 3.33Å; D538-K541 IonicContact OD1-NZ 3.26Å; D538-K541 PolarHBondContact OD1-NZ 2.77Å |
| 539 | D | 98.4 | Very high | 96.9 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 32% | 0.316 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -31.3 | 178.2 | -73 | -28.8 | 0 | 0 | 0 | 112.4 | A139 Q140 A143 S535 L536 K541 | A139-D539 HydrophobicContact CB-CB 4.14Å; Q140-D539 WeakPolarHBondContact CG-O 3.45Å; A143-D539 HydrophobicContact CB-CB 3.85Å; S535-D539 PolarHBondContact O-N 3.45Å; L536-D539 PolarHBondContact O-N 2.89Å; D539-K541 VanDerWaalsContact C-N 3.35Å |
| 540 | L | 98.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -4 | 178.8 | -70.1 | 175.2 | 0 | 0 | 0 | 114.2 | A143 S264 P265 L402 L536 V537 D538 | A143-L540 HydrophobicContact CB-CD2 3.55Å; A143-L540 HydrophobicContact CB-CG 3.78Å; S264-L540 WeakPolarHBondContact CB-O 3Å; S264-L540 PolarHBondContact OG-O 2.87Å; P265-L540 HydrophobicContact CG-CD1 4.2Å; P265-L540 HydrophobicContact CG-CD2 3.85Å; L402-L540 HydrophobicContact CD2-CD1 3.69Å; L536-L540 HydrophobicContact CD1-CD1 4.11Å; L536-L540 HydrophobicContact CD1-CG 4.45Å; L536-L540 HydrophobicContact CG-CD1 4.03Å; L536-L540 WeakPolarHBondContact O-CB 3.46Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.43Å; L536-L540 PolarHBondContact O-N 3.09Å; V537-L540 PolarHBondContact O-N 3.33Å; D538-L540 PolarHBondContact O-N 3.47Å |
| 541 | K | 96.8 | Very high | 96.6 | Very high | 117 Ų | 117 | 54.6 Ų | 54.6 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | trans | -53.4 | 132.9 | -178.4 | -79.8 | 174.3 | 179.5 | 168.1 | 0 | 111.7 | Q140 V537 D538 D539 V543 | Q140-K541 PolarHBondContact NE2-O 2.87Å; V537-K541 PolarHBondContact O-N 3.13Å; D538-K541 WeakPolarHBondContact O-CB 3.41Å; D538-K541 WeakPolarHBondContact O-CG 3.41Å; D538-K541 PolarHBondContact O-N 2.96Å; D538-K541 VanDerWaalsContact O-N 3.14Å; D538-K541 WeakPolarHBondContact OD1-CD 3.46Å; D538-K541 VanDerWaalsContact OD1-CE 3.28Å; D538-K541 WeakPolarHBondContact OD1-CE 3.33Å; D538-K541 IonicContact OD1-NZ 3.26Å; D538-K541 PolarHBondContact OD1-NZ 2.77Å; D539-K541 VanDerWaalsContact C-N 3.35Å; K541-V543 PolarHBondContact O-N 3.39Å | ||
| 542 | P | 95.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 50.7 Ų | 50.7 | 76% | 0.76 | 29% | 0.29 | S | S | * | . | trans | -59 | 139.8 | 175.5 | -24.9 | 34.1 | 0 | 0 | 0 | 111.6 | ||||
| 543 | V | 96.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | trans | -120.8 | 156.5 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 110.3 | C136 T137 K541 L563 | C136-V543 HydrophobicContact CB-CG2 3.25Å; T137-V543 HydrophobicContact CG2-CG1 4.4Å; T137-V543 HydrophobicContact CG2-CG2 4.36Å; K541-V543 PolarHBondContact O-N 3.39Å; V543-L563 HydrophobicContact CG2-CD1 4.48Å; V543-L563 HydrophobicContact CG2-CD2 3.96Å | ||
| 544 | I | 96.4 | Very high | 96.3 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 33% | 0.328 | 32% | 0.317 | S | S | . | . | trans | -100.4 | 120.9 | -178.9 | -59.1 | -179.2 | 0 | 0 | 0 | 109.2 | L563 Q564 R588 | I544-L563 CarbonylContact O-C 3.49Å; I544-L563 VanDerWaalsContact O-CA 3.3Å; I544-L563 WeakPolarHBondContact O-CA 3.37Å; I544-Q564 HydrophobicContact CB-CB 4.2Å; I544-Q564 PolarHBondContact O-N 3.42Å; I544-R588 VanDerWaalsContact CD1-O 3.26Å; I544-R588 WeakPolarHBondContact CD1-O 3.41Å | ||
| 545 | S | 96.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -110.9 | 134.9 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | G547 Y562 | S545-G547 PolarHBondContact OG-N 2.63Å; S545-Y562 WeakPolarHBondContact CA-O 3.33Å |
| 546 | C | 96 | Very high | 96.1 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | trans | -90.4 | -5.7 | 172.4 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | Y562 C586 Q587 G590 K591 W592 | C546-Y562 PolarHBondContact N-O 2.73Å; C546-C586 HydrophobicContact CB-CB 3.72Å; C546-C586 WeakPolarHBondContact CB-SG 3.31Å; C546-C586 PolarHBondContact N-SG 3.08Å; C546-C586 VanDerWaalsContact N-SG 3.4Å; C546-C586 WeakPolarHBondContact SG-CA 3.22Å; C546-C586 WeakPolarHBondContact SG-CB 3.47Å; C546-C586 CovalentContact SG-SG 2.02Å; C546-C586 PolarHBondContact SG-SG 2.89Å; C546-Q587 PolarHBondContact SG-N 2.97Å; C546-G590 WeakPolarHBondContact CA-O 3.3Å; C546-K591 VanDerWaalsContact SG-C 3.52Å; C546-K591 PolarHBondContact SG-N 2.85Å; C546-K591 PolarHBondContact SG-O 3.27Å; C546-K591 VanDerWaalsContact SG-O 3.36Å; C546-W592 HydrophobicContact CB-CD2 3.97Å; C546-W592 VanDerWaalsContact CB-CE2 3.44Å; C546-W592 HydrophobicContact CB-CG 4.05Å; C546-W592 HydrophobicContact CB-CZ2 3.83Å; C546-W592 VanDerWaalsContact CB-NE1 3.27Å; C546-W592 PolarHBondContact O-NE1 3.35Å | ||
| 547 | G | 93.9 | Very high | 96 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | trans | 76.6 | 168.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S545 Y562 W592 | S545-G547 PolarHBondContact OG-N 2.63Å; G547-Y562 VanDerWaalsContact O-CD1 3.27Å; G547-Y562 WeakPolarHBondContact O-CD1 3.44Å; G547-W592 PolarHBondContact O-NE1 3.2Å | ||
| 548 | W | 94.6 | Very high | 95.9 | Very high | 81 Ų | 81 | 60 Ų | 60 | 31% | 0.307 | 33% | 0.328 | S | S | . | . | trans | -68.4 | 147.4 | -178.9 | 178.2 | 94.9 | 0 | 0 | 0 | 112.4 | L197 A199 D200 P550 Y562 | L197-W548 HydrophobicContact CD1-CB 3.91Å; L197-W548 HydrophobicContact CD1-CG 4.28Å; A199-W548 HydrophobicContact CB-CD2 4.07Å; A199-W548 HydrophobicContact CB-CG 4.45Å; A199-W548 HydrophobicContact CB-CH2 4.22Å; A199-W548 HydrophobicContact CB-CZ2 3.52Å; D200-W548 PolarHBondContact OD1-NE1 3.35Å; W548-P550 HydrophobicContact CH2-CB 3.47Å; W548-P550 VanDerWaalsContact CH2-CB 3.47Å; W548-P550 HydrophobicContact CZ2-CB 4.3Å; W548-P550 HydrophobicContact CZ3-CB 3.58Å; W548-P550 HydrophobicContact CZ3-CG 4.22Å; W548-Y562 HydrophobicContact CB-CE1 4.33Å; W548-Y562 HydrophobicContact CB-CE2 4.47Å; W548-Y562 AromaticContact CD1-CE2 3.97Å; W548-Y562 AromaticContact CD1-CZ 3.46Å; W548-Y562 VanDerWaalsContact CD1-CZ 3.46Å; W548-Y562 HydrophobicContact CG-CE1 4.41Å | ||
| 549 | L | 94.5 | Very high | 95.7 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | trans | -115.3 | 137.3 | 171.1 | -68.5 | 178.6 | 0 | 0 | 0 | 110.2 | K557 F570 R584 W592 | L549-K557 WeakPolarHBondContact O-CD 3.42Å; L549-K557 PolarHBondContact O-NZ 2.79Å; L549-F570 HydrophobicContact CB-CZ 4Å; L549-F570 HydrophobicContact CD1-CE2 4.19Å; L549-F570 HydrophobicContact CD1-CZ 3.77Å; L549-R584 HydrophobicContact CD1-CB 4.39Å; L549-W592 HydrophobicContact CD1-CB 4.3Å; L549-W592 HydrophobicContact CD1-CD2 3.6Å; L549-W592 HydrophobicContact CD1-CE3 4.1Å; L549-W592 HydrophobicContact CD1-CG 3.65Å; L549-W592 HydrophobicContact CD2-CG 4.11Å; L549-W592 HydrophobicContact CG-CD2 4.15Å; L549-W592 HydrophobicContact CG-CG 4.05Å | ||
| 550 | P | 93.8 | Very high | 95.5 | Very high | 76 Ų | 76 | 57.8 Ų | 57.8 | 49% | 0.494 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -72 | 148.6 | 175.3 | 28.9 | -33.5 | 0 | 0 | 0 | 112.5 | W548 F570 | W548-P550 HydrophobicContact CH2-CB 3.47Å; W548-P550 VanDerWaalsContact CH2-CB 3.47Å; W548-P550 HydrophobicContact CZ2-CB 4.3Å; W548-P550 HydrophobicContact CZ3-CB 3.58Å; W548-P550 HydrophobicContact CZ3-CG 4.22Å; P550-F570 WeakPolarHBondContact O-CE1 3.03Å |
| 551 | P | 94.6 | Very high | 95.3 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 42% | 0.416 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64 | 143 | 163.6 | 29.3 | -33.2 | 0 | 0 | 0 | 110.3 | K557 | P551-K557 HydrophobicContact CB-CB 3.94Š|
| 552 | P | 95.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 147 | 172.9 | 27 | -33.8 | 0 | 0 | 0 | 110.4 | N554 G555 F570 | P552-N554 PolarHBondContact O-N 2.89Å; P552-G555 CarbonylContact O-C 3.57Å; P552-G555 PolarHBondContact O-N 3.3Å; P552-G555 VanDerWaalsContact O-N 3.08Å; P552-F570 HydrophobicContact CG-CD1 4.37Å |
| 553 | A | 94.9 | Very high | 95.3 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 133.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G555 C599 | A553-G555 VanDerWaalsContact C-N 3.3Å; A553-C599 WeakPolarHBondContact O-CB 3.38Å |
| 554 | N | 95.5 | Very high | 95.3 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 40% | 0.401 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 40.6 | -171 | -44.1 | -72.8 | 0 | 0 | 0 | 112.9 | P552 D573 Y576 C599 | P552-N554 PolarHBondContact O-N 2.89Å; N554-D573 VanDerWaalsContact CA-OD2 3.31Å; N554-D573 WeakPolarHBondContact CA-OD2 3.19Å; N554-D573 PolarHBondContact O-N 2.97Å; N554-Y576 HydrophobicContact CB-CD1 3.77Å; N554-Y576 HydrophobicContact CB-CD2 3.81Å; N554-Y576 HydrophobicContact CB-CE1 3.63Å; N554-Y576 HydrophobicContact CB-CE2 3.67Å; N554-Y576 HydrophobicContact CB-CG 3.87Å; N554-Y576 VanDerWaalsContact CG-CZ 3.42Å; N554-Y576 PolarHBondContact OD1-OH 2.9Å; N554-C599 WeakPolarHBondContact O-CB 3.32Å |
| 555 | G | 95.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 56.4 Ų | 56.4 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | -177.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | P552 A553 S571 D573 | P552-G555 CarbonylContact O-C 3.57Å; P552-G555 PolarHBondContact O-N 3.3Å; P552-G555 VanDerWaalsContact O-N 3.08Å; A553-G555 VanDerWaalsContact C-N 3.3Å; G555-S571 CarbonylContact C-O 3.53Å; G555-S571 WeakPolarHBondContact CA-O 3.02Å; G555-D573 PolarHBondContact N-OD2 2.95Å |
| 556 | K | 95.9 | Very high | 95.4 | Very high | 130 Ų | 130 | 56.6 Ų | 56.6 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.7 | -171.5 | -59.7 | 177.7 | -174.7 | 170.7 | 0 | 110.2 | F570 S571 D573 | K556-F570 WeakPolarHBondContact O-CA 3.27Å; K556-S571 PolarHBondContact N-O 3.15Å; K556-S571 PolarHBondContact O-N 3.25Å; K556-D573 VanDerWaalsContact CE-OD1 3.24Å; K556-D573 WeakPolarHBondContact CE-OD1 3.35Å |
| 557 | K | 96.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.3 | 171.6 | -176.9 | -171.4 | 71.6 | 171.7 | 0 | 109.1 | D200 L549 P551 Y562 V568 K569 F570 | D200-K557 WeakPolarHBondContact OD1-CE 3.37Å; D200-K557 IonicContact OD1-NZ 3.4Å; D200-K557 PolarHBondContact OD1-NZ 2.81Å; D200-K557 IonicContact OD2-NZ 2.79Å; L549-K557 WeakPolarHBondContact O-CD 3.42Å; L549-K557 PolarHBondContact O-NZ 2.79Å; P551-K557 HydrophobicContact CB-CB 3.94Å; K557-Y562 PolarHBondContact NZ-OH 3.48Å; K557-V568 HydrophobicContact CD-CG1 3.67Å; K557-V568 HydrophobicContact CG-CG1 3.35Å; K557-K569 CarbonylContact C-O 3.55Å; K557-K569 WeakPolarHBondContact CA-O 3.37Å; K557-F570 HydrophobicContact CB-CD1 4.11Å; K557-F570 HydrophobicContact CB-CE1 4.03Å; K557-F570 HydrophobicContact CD-CE1 4.02Å; K557-F570 HydrophobicContact CG-CD1 4.09Å; K557-F570 HydrophobicContact CG-CE1 3.65Å; K557-F570 HydrophobicContact CG-CZ 4.34Å |
| 558 | Q | 96.6 | Very high | 95.7 | Very high | 138 Ų | 138 | 61.8 Ų | 61.8 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127 | 171.6 | -175.7 | 179.4 | 49.7 | 0 | 0 | 109.8 | V568 K569 | Q558-V568 WeakPolarHBondContact O-CA 3.18Å; Q558-K569 HydrophobicContact CB-CB 4.31Å; Q558-K569 PolarHBondContact N-O 2.54Å; Q558-K569 PolarHBondContact O-N 3.41Å |
| 559 | G | 93.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 27% | 0.268 | 34% | 0.343 | S | S | . | . | trans | 116.9 | 132.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 560 | T | 93.9 | Very high | 96 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | trans | -125 | 11.9 | -175.7 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | D200 Y562 | D200-T560 HydrophobicContact CB-CG2 3.86Å; T560-Y562 WeakPolarHBondContact O-CE2 3.24Å | ||
| 561 | R | 94.6 | Very high | 96.2 | Very high | 131 Ų | 131 | 61.1 Ų | 61.1 | 49% | 0.494 | 34% | 0.336 | S | S | . | . | trans | -110.2 | 140.2 | 178.2 | -64.4 | -175 | -176.9 | 162.9 | 5.1 | 110.1 | T192 A194 A566 | T192-R561 PolarHBondContact OG1-NE 2.71Å; T192-R561 PolarHBondContact OG1-NH2 2.8Å; A194-R561 HydrophobicContact CB-CG 4.25Å; R561-A566 HydrophobicContact CB-CB 3.94Å; R561-A566 VanDerWaalsContact O-CB 3.25Å; R561-A566 WeakPolarHBondContact O-CB 3.38Å | ||
| 562 | Y | 95.6 | Very high | 96.3 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | trans | -128.8 | 4.5 | -171.5 | -52.8 | -69.4 | 0 | 0 | 0 | 113.9 | L197 D200 S545 C546 G547 W548 K557 T560 V568 C586 W592 | L197-Y562 HydrophobicContact CD1-CD2 3.77Å; L197-Y562 HydrophobicContact CD1-CE2 3.5Å; L197-Y562 VanDerWaalsContact CD1-CE2 3.5Å; L197-Y562 HydrophobicContact CG-CE2 4.34Å; D200-Y562 PolarHBondContact OD1-OH 2.8Å; D200-Y562 VanDerWaalsContact OD1-OH 3.11Å; D200-Y562 WeakPolarHBondContact OD2-CE2 3.39Å; D200-Y562 VanDerWaalsContact OD2-CZ 3.29Å; D200-Y562 PolarHBondContact OD2-OH 3.08Å; S545-Y562 WeakPolarHBondContact CA-O 3.33Å; C546-Y562 PolarHBondContact N-O 2.73Å; G547-Y562 VanDerWaalsContact O-CD1 3.27Å; G547-Y562 WeakPolarHBondContact O-CD1 3.44Å; W548-Y562 HydrophobicContact CB-CE1 4.33Å; W548-Y562 HydrophobicContact CB-CE2 4.47Å; W548-Y562 AromaticContact CD1-CE2 3.97Å; W548-Y562 AromaticContact CD1-CZ 3.46Å; W548-Y562 VanDerWaalsContact CD1-CZ 3.46Å; W548-Y562 HydrophobicContact CG-CE1 4.41Å; K557-Y562 PolarHBondContact NZ-OH 3.48Å; T560-Y562 WeakPolarHBondContact O-CE2 3.24Å; Y562-V568 HydrophobicContact CE1-CG2 4.33Å; Y562-C586 PolarHBondContact O-SG 3.43Å; Y562-W592 HydrophobicContact CD1-CH2 4.28Å; Y562-W592 AromaticContact CD1-CZ2 3.7Å; Y562-W592 HydrophobicContact CD1-CZ2 3.7Å; Y562-W592 HydrophobicContact CG-CZ2 4.47Å | ||
| 563 | L | 96.6 | Very high | 96.4 | Very high | 50 Ų | 50 | 61.6 Ų | 61.6 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -78.6 | 161.8 | 175.9 | -58.2 | -175.6 | 0 | 0 | 0 | 111.9 | C136 T137 V543 I544 G565 A566 C586 | C136-L563 HydrophobicContact CB-CD2 4.07Å; T137-L563 HydrophobicContact CG2-CD1 3.93Å; V543-L563 HydrophobicContact CG2-CD1 4.48Å; V543-L563 HydrophobicContact CG2-CD2 3.96Å; I544-L563 CarbonylContact O-C 3.49Å; I544-L563 VanDerWaalsContact O-CA 3.3Å; I544-L563 WeakPolarHBondContact O-CA 3.37Å; L563-G565 PolarHBondContact O-N 2.83Å; L563-A566 WeakPolarHBondContact O-CB 3.2Å; L563-A566 PolarHBondContact O-N 3.36Å; L563-C586 VanDerWaalsContact C-SG 3.56Å; L563-C586 WeakPolarHBondContact O-CB 3.31Å |
| 564 | Q | 97.3 | Very high | 96.2 | Very high | 91 Ų | 91 | 65 Ų | 65 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | 130.3 | 178.5 | -175.9 | -169.4 | -38.5 | 0 | 0 | 112.4 | I544 A566 C586 R588 | I544-Q564 HydrophobicContact CB-CB 4.2Å; I544-Q564 PolarHBondContact O-N 3.42Å; Q564-A566 VanDerWaalsContact C-N 3.27Å; Q564-A566 PolarHBondContact O-N 3.49Å; Q564-C586 VanDerWaalsContact CA-SG 3.58Å; Q564-R588 HydrophobicContact CG-CG 4.34Å |
| 565 | G | 97.1 | Very high | 96 | Very high | 50 Ų | 50 | 68.3 Ų | 68.3 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -10.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | L563 C586 | L563-G565 PolarHBondContact O-N 2.83Å; G565-C586 PolarHBondContact N-O 3.3Å |
| 566 | A | 97.1 | Very high | 96 | Very high | 18 Ų | 18 | 71.5 Ų | 71.5 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | trans | -62.5 | 148.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R561 L563 Q564 T585 C586 W592 | R561-A566 HydrophobicContact CB-CB 3.94Å; R561-A566 VanDerWaalsContact O-CB 3.25Å; R561-A566 WeakPolarHBondContact O-CB 3.38Å; L563-A566 WeakPolarHBondContact O-CB 3.2Å; L563-A566 PolarHBondContact O-N 3.36Å; Q564-A566 VanDerWaalsContact C-N 3.27Å; Q564-A566 PolarHBondContact O-N 3.49Å; A566-T585 CarbonylContact O-C 3.55Å; A566-T585 VanDerWaalsContact O-CA 3.29Å; A566-T585 WeakPolarHBondContact O-CA 3.35Å; A566-C586 PolarHBondContact O-N 3.17Å; A566-W592 HydrophobicContact CB-CH2 4.3Å; A566-W592 WeakPolarHBondContact O-CZ3 3.43Å | ||
| 567 | K | 97.8 | Very high | 95.9 | Very high | 117 Ų | 117 | 72.2 Ų | 72.2 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.5 | -180 | -68.7 | 179.3 | 164.7 | -143.4 | 0 | 109.8 | E583 R584 T585 | K567-E583 HydrophobicContact CB-CG 4.33Å; K567-E583 WeakPolarHBondContact CD-OE1 3.48Å; K567-E583 WeakPolarHBondContact CE-OE1 3.35Å; K567-E583 IonicContact NZ-OE1 3.45Å; K567-E583 PolarHBondContact NZ-OE1 3.4Å; K567-R584 WeakPolarHBondContact CA-O 3.46Å; K567-T585 HydrophobicContact CG-CG2 4.28Å |
| 568 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.1 | 175.4 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | K557 Q558 Y562 F570 E583 R584 W592 | K557-V568 HydrophobicContact CD-CG1 3.67Å; K557-V568 HydrophobicContact CG-CG1 3.35Å; Q558-V568 WeakPolarHBondContact O-CA 3.18Å; Y562-V568 HydrophobicContact CE1-CG2 4.33Å; V568-F570 HydrophobicContact CB-CE2 4.45Å; V568-F570 HydrophobicContact CB-CZ 4.43Å; V568-F570 HydrophobicContact CG1-CE1 3.98Å; V568-F570 HydrophobicContact CG1-CE2 3.85Å; V568-F570 HydrophobicContact CG1-CZ 3.51Å; V568-E583 CarbonylContact O-C 3.47Å; V568-E583 WeakPolarHBondContact O-CA 3.37Å; V568-R584 PolarHBondContact N-O 2.91Å; V568-R584 PolarHBondContact O-N 3.08Å; V568-W592 HydrophobicContact CB-CZ3 4.29Å; V568-W592 HydrophobicContact CG2-CH2 3.62Å; V568-W592 HydrophobicContact CG2-CZ2 4.33Å; V568-W592 HydrophobicContact CG2-CZ3 3.83Å |
| 569 | K | 98.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 69.3 Ų | 69.3 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 145.1 | 178.1 | -67.7 | -176.8 | 176.3 | -175.1 | 0 | 111.1 | K557 Q558 E582 E583 | K557-K569 CarbonylContact C-O 3.55Å; K557-K569 WeakPolarHBondContact CA-O 3.37Å; Q558-K569 HydrophobicContact CB-CB 4.31Å; Q558-K569 PolarHBondContact N-O 2.54Å; Q558-K569 PolarHBondContact O-N 3.41Å; K569-E582 CarbonylContact C-O 3.6Å; K569-E582 VanDerWaalsContact CA-O 3.25Å; K569-E582 WeakPolarHBondContact CA-O 3.46Å; K569-E583 WeakPolarHBondContact CE-OE2 3.45Å; K569-E583 HydrophobicContact CG-CB 4.21Å; K569-E583 HydrophobicContact CG-CG 4.05Å; K569-E583 IonicContact NZ-OE2 3.5Å |
| 570 | F | 98.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.035 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.2 | 179.3 | -59.4 | -77.7 | 0 | 0 | 0 | 110.2 | L549 P550 P552 K556 K557 V568 L578 E582 R584 A597 | L549-F570 HydrophobicContact CB-CZ 4Å; L549-F570 HydrophobicContact CD1-CE2 4.19Å; L549-F570 HydrophobicContact CD1-CZ 3.77Å; P550-F570 WeakPolarHBondContact O-CE1 3.03Å; P552-F570 HydrophobicContact CG-CD1 4.37Å; K556-F570 WeakPolarHBondContact O-CA 3.27Å; K557-F570 HydrophobicContact CB-CD1 4.11Å; K557-F570 HydrophobicContact CB-CE1 4.03Å; K557-F570 HydrophobicContact CD-CE1 4.02Å; K557-F570 HydrophobicContact CG-CD1 4.09Å; K557-F570 HydrophobicContact CG-CE1 3.65Å; K557-F570 HydrophobicContact CG-CZ 4.34Å; V568-F570 HydrophobicContact CB-CE2 4.45Å; V568-F570 HydrophobicContact CB-CZ 4.43Å; V568-F570 HydrophobicContact CG1-CE1 3.98Å; V568-F570 HydrophobicContact CG1-CE2 3.85Å; V568-F570 HydrophobicContact CG1-CZ 3.51Å; F570-L578 HydrophobicContact CB-CD1 4.32Å; F570-E582 PolarHBondContact N-O 3.44Å; F570-R584 HydrophobicContact CE2-CB 4.43Å; F570-R584 HydrophobicContact CE2-CG 3.97Å; F570-A597 HydrophobicContact CB-CB 3.68Å; F570-A597 HydrophobicContact CD1-CB 4.13Å; F570-A597 HydrophobicContact CD2-CB 3.81Å; F570-A597 HydrophobicContact CE2-CB 4.5Å; F570-A597 HydrophobicContact CG-CB 3.59Å |
| 571 | S | 97.4 | Very high | 96.1 | Very high | 61 Ų | 61 | 67.7 Ų | 67.7 | 43% | 0.427 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 158.5 | 171.7 | 59.9 | 0 | 0 | 0 | 0 | 109.6 | G555 K556 | G555-S571 CarbonylContact C-O 3.53Å; G555-S571 WeakPolarHBondContact CA-O 3.02Å; K556-S571 PolarHBondContact N-O 3.15Å; K556-S571 PolarHBondContact O-N 3.25Å |
| 572 | C | 97.2 | Very high | 96.2 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 154.5 | 172.8 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | L578 C599 | C572-L578 WeakPolarHBondContact SG-CA 2.96Å; C572-L578 PolarHBondContact SG-N 2.86Å; C572-C599 WeakPolarHBondContact CA-SG 3.24Å; C572-C599 HydrophobicContact CB-CB 3.71Å; C572-C599 WeakPolarHBondContact CB-SG 3.42Å; C572-C599 WeakPolarHBondContact SG-CA 3.49Å; C572-C599 WeakPolarHBondContact SG-CB 3.19Å; C572-C599 CovalentContact SG-SG 2.03Å; C572-C599 PolarHBondContact SG-SG 3.07Å |
| 573 | D | 96.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 70.2 Ų | 70.2 | 32% | 0.316 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -66 | 165.9 | 169.3 | -64.4 | -37 | 0 | 0 | 0 | 110.4 | N554 G555 K556 Y576 | N554-D573 VanDerWaalsContact CA-OD2 3.31Å; N554-D573 WeakPolarHBondContact CA-OD2 3.19Å; N554-D573 PolarHBondContact O-N 2.97Å; G555-D573 PolarHBondContact N-OD2 2.95Å; K556-D573 VanDerWaalsContact CE-OD1 3.24Å; K556-D573 WeakPolarHBondContact CE-OD1 3.35Å; D573-Y576 HydrophobicContact CB-CD2 4.41Å; D573-Y576 WeakPolarHBondContact O-CB 3.36Å; D573-Y576 PolarHBondContact O-N 3.29Å; D573-Y576 VanDerWaalsContact O-N 3.12Å |
| 574 | D | 92.3 | Very high | 96.4 | Very high | 150 Ų | 150 | 68.8 Ų | 68.8 | 80% | 0.802 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 142.8 | 178.9 | -62.8 | -28.4 | 0 | 0 | 0 | 110.6 | Y576 | D574-Y576 WeakPolarHBondContact O-CD2 3.4Å; D574-Y576 PolarHBondContact O-N 3.22Å |
| 575 | D | 91.1 | Very high | 96.5 | Very high | 144 Ų | 144 | 66.4 Ų | 66.4 | 77% | 0.77 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -2.9 | -173.9 | -55.1 | -43.9 | 0 | 0 | 0 | 117.2 | P602 | D575-P602 WeakPolarHBondContact O-CD 3.21Š|
| 576 | Y | 94.3 | Very high | 96.5 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | trans | -103.8 | 148.4 | 173.2 | -67.9 | -96.8 | 0 | 0 | 0 | 112 | N554 D573 D574 C599 V601 | N554-Y576 HydrophobicContact CB-CD1 3.77Å; N554-Y576 HydrophobicContact CB-CD2 3.81Å; N554-Y576 HydrophobicContact CB-CE1 3.63Å; N554-Y576 HydrophobicContact CB-CE2 3.67Å; N554-Y576 HydrophobicContact CB-CG 3.87Å; N554-Y576 VanDerWaalsContact CG-CZ 3.42Å; N554-Y576 PolarHBondContact OD1-OH 2.9Å; D573-Y576 HydrophobicContact CB-CD2 4.41Å; D573-Y576 WeakPolarHBondContact O-CB 3.36Å; D573-Y576 PolarHBondContact O-N 3.29Å; D573-Y576 VanDerWaalsContact O-N 3.12Å; D574-Y576 WeakPolarHBondContact O-CD2 3.4Å; D574-Y576 PolarHBondContact O-N 3.22Å; Y576-C599 HydrophobicContact CD1-CB 4.39Å; Y576-C599 HydrophobicContact CG-CB 4.5Å; Y576-V601 HydrophobicContact CD1-CG2 4.15Å; Y576-V601 HydrophobicContact CE1-CG2 3.75Å | ||
| 577 | K | 94.3 | Very high | 96.6 | Very high | 144 Ų | 144 | 67.4 Ų | 67.4 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.8 | 175.4 | -170.6 | 173.4 | -179.2 | -179.4 | 0 | 110.8 | S600 P602 | K577-S600 PolarHBondContact N-O 2.69Å; K577-S600 PolarHBondContact O-N 3.46Å; K577-S600 VanDerWaalsContact O-N 3.11Å; K577-P602 HydrophobicContact CB-CG 4.3Å |
| 578 | L | 95.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 71.6 Ų | 71.6 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 133.9 | 177 | -170.8 | 72.6 | 0 | 0 | 0 | 111.1 | F570 C572 E582 A597 S598 | F570-L578 HydrophobicContact CB-CD1 4.32Å; C572-L578 WeakPolarHBondContact SG-CA 2.96Å; C572-L578 PolarHBondContact SG-N 2.86Å; L578-E582 HydrophobicContact CD2-CB 3.74Å; L578-E582 HydrophobicContact CD2-CG 4.03Å; L578-A597 HydrophobicContact CD1-CB 3.96Å; L578-S598 CarbonylContact C-O 3.51Å; L578-S598 WeakPolarHBondContact CA-O 3.34Å |
| 579 | S | 96.1 | Very high | 96.5 | Very high | 67 Ų | 67 | 76.4 Ų | 76.4 | 47% | 0.469 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.1 | 166 | -174 | 0 | 0 | 0 | 0 | 108.9 | A597 S598 | S579-A597 CarbonylContact O-C 3.57Å; S579-A597 WeakPolarHBondContact O-CA 3.47Å; S579-S598 PolarHBondContact N-O 2.86Å; S579-S598 PolarHBondContact O-N 3.3Å |
| 580 | G | 96.1 | Very high | 96.4 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 90.4 | -157.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 581 | S | 97.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 79.4 Ų | 79.4 | 21% | 0.21 | 41% | 0.409 | C | S | . | . | trans | -89.2 | 125.7 | -175.6 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | E583 G594 E595 | S581-E583 VanDerWaalsContact C-N 3.34Å; S581-G594 WeakPolarHBondContact OG-CA 3.41Å; S581-E595 WeakPolarHBondContact CB-O 3.22Å; S581-E595 PolarHBondContact N-O 2.93Å; S581-E595 PolarHBondContact OG-N 2.89Å | ||
| 582 | E | 97.4 | Very high | 96.3 | Very high | 132 Ų | 132 | 77.6 Ų | 77.6 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -66.1 | -34.6 | 173.7 | -171.8 | -173.4 | 163.9 | 0 | 0 | 112.6 | K569 F570 L578 | K569-E582 CarbonylContact C-O 3.6Å; K569-E582 VanDerWaalsContact CA-O 3.25Å; K569-E582 WeakPolarHBondContact CA-O 3.46Å; F570-E582 PolarHBondContact N-O 3.44Å; L578-E582 HydrophobicContact CD2-CB 3.74Å; L578-E582 HydrophobicContact CD2-CG 4.03Å |
| 583 | E | 98.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 77.6 Ų | 77.6 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.9 | 176.4 | -175.1 | 177.8 | 95.4 | 0 | 0 | 109.9 | K567 V568 K569 S581 | K567-E583 HydrophobicContact CB-CG 4.33Å; K567-E583 WeakPolarHBondContact CD-OE1 3.48Å; K567-E583 WeakPolarHBondContact CE-OE1 3.35Å; K567-E583 IonicContact NZ-OE1 3.45Å; K567-E583 PolarHBondContact NZ-OE1 3.4Å; V568-E583 CarbonylContact O-C 3.47Å; V568-E583 WeakPolarHBondContact O-CA 3.37Å; K569-E583 WeakPolarHBondContact CE-OE2 3.45Å; K569-E583 HydrophobicContact CG-CB 4.21Å; K569-E583 HydrophobicContact CG-CG 4.05Å; K569-E583 IonicContact NZ-OE2 3.5Å; S581-E583 VanDerWaalsContact C-N 3.34Å |
| 584 | R | 98.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 77.2 Ų | 77.2 | 8% | 0.075 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138 | 173.1 | -58.5 | -176.4 | 74.2 | 177.8 | 15 | 109.6 | L549 K567 V568 F570 W592 S593 G594 D596 | L549-R584 HydrophobicContact CD1-CB 4.39Å; K567-R584 WeakPolarHBondContact CA-O 3.46Å; V568-R584 PolarHBondContact N-O 2.91Å; V568-R584 PolarHBondContact O-N 3.08Å; F570-R584 HydrophobicContact CE2-CB 4.43Å; F570-R584 HydrophobicContact CE2-CG 3.97Å; R584-W592 HydrophobicContact CB-CB 4.44Å; R584-W592 HydrophobicContact CB-CE3 3.89Å; R584-W592 WeakPolarHBondContact O-CZ3 3.02Å; R584-S593 WeakPolarHBondContact CG-O 3.45Å; R584-S593 PolarHBondContact NE-O 3.45Å; R584-G594 PolarHBondContact NH2-O 3.45Å; R584-D596 IonicContact CZ-OD1 2.77Å; R584-D596 IonicContact NH1-OD1 3.26Å; R584-D596 PolarHBondContact NH1-OD1 3.18Å; R584-D596 IonicContact NH2-OD1 2.71Å; R584-D596 PolarHBondContact NH2-OD1 2.96Å |
| 585 | T | 98.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 76.7 Ų | 76.7 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.2 | 179.4 | -56 | 0 | 0 | 0 | 0 | 110.2 | A566 K567 Q587 W592 S593 | A566-T585 CarbonylContact O-C 3.55Å; A566-T585 VanDerWaalsContact O-CA 3.29Å; A566-T585 WeakPolarHBondContact O-CA 3.35Å; K567-T585 HydrophobicContact CG-CG2 4.28Å; T585-Q587 PolarHBondContact O-N 2.87Å; T585-W592 VanDerWaalsContact C-CE3 3.45Å; T585-S593 PolarHBondContact N-OG 2.94Å; T585-S593 PolarHBondContact O-N 2.82Å; T585-S593 PolarHBondContact O-OG 3.33Å |
| 586 | C | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -73.4 | 118.7 | 175 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | C546 Y562 L563 Q564 G565 A566 W592 | C546-C586 HydrophobicContact CB-CB 3.72Å; C546-C586 WeakPolarHBondContact CB-SG 3.31Å; C546-C586 PolarHBondContact N-SG 3.08Å; C546-C586 VanDerWaalsContact N-SG 3.4Å; C546-C586 WeakPolarHBondContact SG-CA 3.22Å; C546-C586 WeakPolarHBondContact SG-CB 3.47Å; C546-C586 CovalentContact SG-SG 2.02Å; C546-C586 PolarHBondContact SG-SG 2.89Å; Y562-C586 PolarHBondContact O-SG 3.43Å; L563-C586 VanDerWaalsContact C-SG 3.56Å; L563-C586 WeakPolarHBondContact O-CB 3.31Å; Q564-C586 VanDerWaalsContact CA-SG 3.58Å; G565-C586 PolarHBondContact N-O 3.3Å; A566-C586 PolarHBondContact O-N 3.17Å; C586-W592 HydrophobicContact CB-CD2 4.49Å; C586-W592 HydrophobicContact CB-CE3 4.18Å; C586-W592 HydrophobicContact CB-CH2 3.76Å; C586-W592 HydrophobicContact CB-CZ2 4.05Å; C586-W592 HydrophobicContact CB-CZ3 3.84Å; C586-W592 VanDerWaalsContact N-CZ3 3.29Å |
| 587 | Q | 98.1 | Very high | 97 | Very high | 88 Ų | 88 | 72.7 Ų | 72.7 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | trans | -94.4 | 165.3 | -173.7 | -57.7 | -177.1 | -48.5 | 0 | 0 | 112.2 | C546 T585 N589 G590 K591 | C546-Q587 PolarHBondContact SG-N 2.97Å; T585-Q587 PolarHBondContact O-N 2.87Å; Q587-N589 WeakPolarHBondContact CB-OD1 3.36Å; Q587-N589 PolarHBondContact O-N 3.32Å; Q587-N589 VanDerWaalsContact O-N 3.08Å; Q587-G590 PolarHBondContact O-N 3.33Å; Q587-K591 WeakPolarHBondContact CB-O 2.95Å; Q587-K591 PolarHBondContact N-O 3.43Å | ||
| 588 | R | 97 | Very high | 97.1 | Very high | 205 Ų | 205 | 68.6 Ų | 68.6 | 77% | 0.774 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.2 | 177.9 | -70.8 | -176.4 | -178.1 | 150.4 | -0.6 | 114.7 | I544 Q564 G590 | I544-R588 VanDerWaalsContact CD1-O 3.26Å; I544-R588 WeakPolarHBondContact CD1-O 3.41Å; Q564-R588 HydrophobicContact CG-CG 4.34Å; R588-G590 VanDerWaalsContact C-N 3.28Å |
| 589 | N | 95.9 | Very high | 97.1 | Very high | 100 Ų | 100 | 67 Ų | 67 | 54% | 0.535 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 7 | 177.2 | 64.3 | 2.5 | 0 | 0 | 0 | 112.8 | Q587 K591 | Q587-N589 WeakPolarHBondContact CB-OD1 3.36Å; Q587-N589 PolarHBondContact O-N 3.32Å; Q587-N589 VanDerWaalsContact O-N 3.08Å; N589-K591 VanDerWaalsContact C-N 3.28Å; N589-K591 PolarHBondContact O-N 2.88Å; N589-K591 WeakPolarHBondContact OD1-CB 3.34Å; N589-K591 PolarHBondContact OD1-N 2.87Å |
| 590 | G | 95.8 | Very high | 97 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 26% | 0.258 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 72.1 | 18.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C546 Q587 R588 | C546-G590 WeakPolarHBondContact CA-O 3.3Å; Q587-G590 PolarHBondContact O-N 3.33Å; R588-G590 VanDerWaalsContact C-N 3.28Å |
| 591 | K | 97 | Very high | 96.6 | Very high | 141 Ų | 141 | 68.7 Ų | 68.7 | 61% | 0.613 | 37% | 0.368 | S | S | * | . | trans | -119.5 | 150.5 | 177.2 | -59.7 | -177.3 | 178.8 | -178.9 | 0 | 111.6 | C546 Q587 N589 | C546-K591 VanDerWaalsContact SG-C 3.52Å; C546-K591 PolarHBondContact SG-N 2.85Å; C546-K591 PolarHBondContact SG-O 3.27Å; C546-K591 VanDerWaalsContact SG-O 3.36Å; Q587-K591 WeakPolarHBondContact CB-O 2.95Å; Q587-K591 PolarHBondContact N-O 3.43Å; N589-K591 VanDerWaalsContact C-N 3.28Å; N589-K591 PolarHBondContact O-N 2.88Å; N589-K591 WeakPolarHBondContact OD1-CB 3.34Å; N589-K591 PolarHBondContact OD1-N 2.87Å | ||
| 592 | W | 97.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 69.8 Ų | 69.8 | 9% | 0.087 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 137.7 | 170.9 | -70.4 | 101.1 | 0 | 0 | 0 | 111 | C546 G547 L549 Y562 A566 V568 R584 T585 C586 | C546-W592 HydrophobicContact CB-CD2 3.97Å; C546-W592 VanDerWaalsContact CB-CE2 3.44Å; C546-W592 HydrophobicContact CB-CG 4.05Å; C546-W592 HydrophobicContact CB-CZ2 3.83Å; C546-W592 VanDerWaalsContact CB-NE1 3.27Å; C546-W592 PolarHBondContact O-NE1 3.35Å; G547-W592 PolarHBondContact O-NE1 3.2Å; L549-W592 HydrophobicContact CD1-CB 4.3Å; L549-W592 HydrophobicContact CD1-CD2 3.6Å; L549-W592 HydrophobicContact CD1-CE3 4.1Å; L549-W592 HydrophobicContact CD1-CG 3.65Å; L549-W592 HydrophobicContact CD2-CG 4.11Å; L549-W592 HydrophobicContact CG-CD2 4.15Å; L549-W592 HydrophobicContact CG-CG 4.05Å; Y562-W592 HydrophobicContact CD1-CH2 4.28Å; Y562-W592 AromaticContact CD1-CZ2 3.7Å; Y562-W592 HydrophobicContact CD1-CZ2 3.7Å; Y562-W592 HydrophobicContact CG-CZ2 4.47Å; A566-W592 HydrophobicContact CB-CH2 4.3Å; A566-W592 WeakPolarHBondContact O-CZ3 3.43Å; V568-W592 HydrophobicContact CB-CZ3 4.29Å; V568-W592 HydrophobicContact CG2-CH2 3.62Å; V568-W592 HydrophobicContact CG2-CZ2 4.33Å; V568-W592 HydrophobicContact CG2-CZ3 3.83Å; R584-W592 HydrophobicContact CB-CB 4.44Å; R584-W592 HydrophobicContact CB-CE3 3.89Å; R584-W592 WeakPolarHBondContact O-CZ3 3.02Å; T585-W592 VanDerWaalsContact C-CE3 3.45Å; C586-W592 HydrophobicContact CB-CD2 4.49Å; C586-W592 HydrophobicContact CB-CE3 4.18Å; C586-W592 HydrophobicContact CB-CH2 3.76Å; C586-W592 HydrophobicContact CB-CZ2 4.05Å; C586-W592 HydrophobicContact CB-CZ3 3.84Å; C586-W592 VanDerWaalsContact N-CZ3 3.29Å |
| 593 | S | 98.3 | Very high | 94.2 | Very high | 27 Ų | 27 | 68.5 Ų | 68.5 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | trans | -67.3 | 161.7 | 171.8 | 69.8 | 0 | 0 | 0 | 0 | 111.9 | R584 T585 | R584-S593 WeakPolarHBondContact CG-O 3.45Å; R584-S593 PolarHBondContact NE-O 3.45Å; T585-S593 PolarHBondContact N-OG 2.94Å; T585-S593 PolarHBondContact O-N 2.82Å; T585-S593 PolarHBondContact O-OG 3.33Å | ||
| 594 | G | 96.8 | Very high | 92.5 | Very high | 50 Ų | 50 | 73.3 Ų | 73.3 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 68.6 | -167.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S581 R584 | S581-G594 WeakPolarHBondContact OG-CA 3.41Å; R584-G594 PolarHBondContact NH2-O 3.45Å |
| 595 | E | 97 | Very high | 90.7 | Very high | 140 Ų | 140 | 75.9 Ų | 75.9 | 65% | 0.654 | 42% | 0.417 | S | S | * | . | trans | -105.3 | 155.4 | -173.4 | -62.9 | 178.8 | 173.7 | 0 | 0 | 111.5 | S581 A597 | S581-E595 WeakPolarHBondContact CB-O 3.22Å; S581-E595 PolarHBondContact N-O 2.93Å; S581-E595 PolarHBondContact OG-N 2.89Å; E595-A597 PolarHBondContact O-N 2.71Å | ||
| 596 | D | 95.9 | Very high | 88.7 | Confident | 121 Ų | 121 | 77.2 Ų | 77.2 | 65% | 0.647 | 43% | 0.433 | S | S | * | . | trans | -61.5 | 134.2 | 178.5 | -67.5 | -17.9 | 0 | 0 | 0 | 111.3 | R584 | R584-D596 IonicContact CZ-OD1 2.77Å; R584-D596 IonicContact NH1-OD1 3.26Å; R584-D596 PolarHBondContact NH1-OD1 3.18Å; R584-D596 IonicContact NH2-OD1 2.71Å; R584-D596 PolarHBondContact NH2-OD1 2.96Å | ||
| 597 | A | 96.4 | Very high | 86.9 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 17% | 0.165 | 46% | 0.455 | C | S | . | . | trans | -78.3 | 135.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | F570 L578 S579 E595 | F570-A597 HydrophobicContact CB-CB 3.68Å; F570-A597 HydrophobicContact CD1-CB 4.13Å; F570-A597 HydrophobicContact CD2-CB 3.81Å; F570-A597 HydrophobicContact CE2-CB 4.5Å; F570-A597 HydrophobicContact CG-CB 3.59Å; L578-A597 HydrophobicContact CD1-CB 3.96Å; S579-A597 CarbonylContact O-C 3.57Å; S579-A597 WeakPolarHBondContact O-CA 3.47Å; E595-A597 PolarHBondContact O-N 2.71Å | ||
| 598 | S | 96.7 | Very high | 85.2 | Confident | 57 Ų | 57 | 80.6 Ų | 80.6 | 40% | 0.399 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.5 | 172.6 | 61.5 | 0 | 0 | 0 | 0 | 111.1 | L578 S579 | L578-S598 CarbonylContact C-O 3.51Å; L578-S598 WeakPolarHBondContact CA-O 3.34Å; S579-S598 PolarHBondContact N-O 2.86Å; S579-S598 PolarHBondContact O-N 3.3Å |
| 599 | C | 96.3 | Very high | 83.6 | Confident | 17 Ų | 17 | 74.8 Ų | 74.8 | 12% | 0.115 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125 | -180 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | A553 N554 C572 Y576 | A553-C599 WeakPolarHBondContact O-CB 3.38Å; N554-C599 WeakPolarHBondContact O-CB 3.32Å; C572-C599 WeakPolarHBondContact CA-SG 3.24Å; C572-C599 HydrophobicContact CB-CB 3.71Å; C572-C599 WeakPolarHBondContact CB-SG 3.42Å; C572-C599 WeakPolarHBondContact SG-CA 3.49Å; C572-C599 WeakPolarHBondContact SG-CB 3.19Å; C572-C599 CovalentContact SG-SG 2.03Å; C572-C599 PolarHBondContact SG-SG 3.07Å; Y576-C599 HydrophobicContact CD1-CB 4.39Å; Y576-C599 HydrophobicContact CG-CB 4.5Å |
| 600 | S | 93.9 | Very high | 82.1 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.4 | -178.3 | 61 | 0 | 0 | 0 | 0 | 111.5 | K577 | K577-S600 PolarHBondContact N-O 2.69Å; K577-S600 PolarHBondContact O-N 3.46Å; K577-S600 VanDerWaalsContact O-N 3.11Å |
| 601 | V | 87.8 | Confident | 80.8 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 44% | 0.442 | 46% | 0.457 | S | S | . | . | trans | -67.5 | 133 | 177.5 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | Y576 S603 V605 | Y576-V601 HydrophobicContact CD1-CG2 4.15Å; Y576-V601 HydrophobicContact CE1-CG2 3.75Å; V601-S603 PolarHBondContact O-N 2.82Å; V601-V605 HydrophobicContact CG1-CB 4.02Å; V601-V605 HydrophobicContact CG1-CG1 4.47Å; V601-V605 HydrophobicContact CG1-CG2 4.32Å | ||
| 602 | P | 78.3 | Confident | 79.7 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | trans | -55.2 | 128.7 | 175.2 | -23.4 | 31.4 | 0 | 0 | 0 | 111.5 | D575 K577 K604 V605 | D575-P602 WeakPolarHBondContact O-CD 3.21Å; K577-P602 HydrophobicContact CB-CG 4.3Å; P602-K604 PolarHBondContact O-N 2.92Å; P602-V605 PolarHBondContact O-N 2.92Å | ||
| 603 | S | 65.9 | Low | 78.8 | Confident | 105 Ų | 105 | 73.1 Ų | 73.1 | 73% | 0.734 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -53.4 | -19.1 | -174.4 | 59 | 0 | 0 | 0 | 0 | 115.7 | V601 V605 G607 | V601-S603 PolarHBondContact O-N 2.82Å; S603-V605 VanDerWaalsContact C-N 3.32Å; S603-V605 PolarHBondContact O-N 2.81Å; S603-G607 PolarHBondContact O-N 2.98Å |
| 604 | K | 63.4 | Low | 78 | Confident | 169 Ų | 169 | 76.1 Ų | 76.1 | 74% | 0.735 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.1 | -30.5 | 176.7 | -64 | -173.1 | 178.8 | -177.2 | 0 | 113 | P602 I608 | P602-K604 PolarHBondContact O-N 2.92Å; K604-I608 WeakPolarHBondContact O-CD1 3.2Å; K604-I608 VanDerWaalsContact O-CG1 3.25Å; K604-I608 WeakPolarHBondContact O-CG1 3.29Å; K604-I608 PolarHBondContact O-N 2.97Å; K604-I608 VanDerWaalsContact O-N 3.09Å |
| 605 | V | 59 | Low | 77.3 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -75.2 | -41.7 | -178.3 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | V601 P602 S603 G607 I608 V609 | V601-V605 HydrophobicContact CG1-CB 4.02Å; V601-V605 HydrophobicContact CG1-CG1 4.47Å; V601-V605 HydrophobicContact CG1-CG2 4.32Å; P602-V605 PolarHBondContact O-N 2.92Å; S603-V605 VanDerWaalsContact C-N 3.32Å; S603-V605 PolarHBondContact O-N 2.81Å; V605-G607 VanDerWaalsContact C-N 3.27Å; V605-G607 PolarHBondContact O-N 3.34Å; V605-I608 PolarHBondContact O-N 3.35Å; V605-I608 VanDerWaalsContact O-N 3.15Å; V605-V609 HydrophobicContact CG1-CG2 4.42Å; V605-V609 WeakPolarHBondContact O-CG2 3.26Å; V605-V609 PolarHBondContact O-N 3.43Å |
| 606 | A | 56.7 | Low | 76.7 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.8 | -39.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A610 | A606-A610 VanDerWaalsContact O-CB 3.25Å; A606-A610 WeakPolarHBondContact O-CB 3.42Å; A606-A610 PolarHBondContact O-N 2.9Å |
| 607 | G | 60.1 | Low | 76.3 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S603 V605 G611 | S603-G607 PolarHBondContact O-N 2.98Å; V605-G607 VanDerWaalsContact C-N 3.27Å; V605-G607 PolarHBondContact O-N 3.34Å; G607-G611 PolarHBondContact O-N 3.37Å |
| 608 | I | 63.7 | Low | 75.8 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.1 | -42.5 | 176.5 | -68.3 | 163.2 | 0 | 0 | 0 | 110.9 | K604 V605 G611 S612 | K604-I608 WeakPolarHBondContact O-CD1 3.2Å; K604-I608 VanDerWaalsContact O-CG1 3.25Å; K604-I608 WeakPolarHBondContact O-CG1 3.29Å; K604-I608 PolarHBondContact O-N 2.97Å; K604-I608 VanDerWaalsContact O-N 3.09Å; V605-I608 PolarHBondContact O-N 3.35Å; V605-I608 VanDerWaalsContact O-N 3.15Å; I608-G611 PolarHBondContact O-N 3.25Å; I608-S612 VanDerWaalsContact O-CB 3.3Å; I608-S612 WeakPolarHBondContact O-CB 3.4Å; I608-S612 PolarHBondContact O-N 3.22Å; I608-S612 PolarHBondContact O-OG 3.07Å |
| 609 | V | 63.8 | Low | 75.4 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 177 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | V605 G611 S612 V613 | V605-V609 HydrophobicContact CG1-CG2 4.42Å; V605-V609 WeakPolarHBondContact O-CG2 3.26Å; V605-V609 PolarHBondContact O-N 3.43Å; V609-G611 PolarHBondContact O-N 2.95Å; V609-S612 PolarHBondContact O-N 3Å; V609-V613 WeakPolarHBondContact O-CG2 3.46Å; V609-V613 PolarHBondContact O-N 3.27Å |
| 610 | A | 63.7 | Low | 75.1 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A606 S612 V613 V614 | A606-A610 VanDerWaalsContact O-CB 3.25Å; A606-A610 WeakPolarHBondContact O-CB 3.42Å; A606-A610 PolarHBondContact O-N 2.9Å; A610-S612 VanDerWaalsContact C-N 3.34Å; A610-S612 PolarHBondContact O-N 3.23Å; A610-V613 PolarHBondContact O-N 3.37Å; A610-V614 WeakPolarHBondContact O-CB 3.13Å; A610-V614 VanDerWaalsContact O-CG2 3.27Å; A610-V614 WeakPolarHBondContact O-CG2 3.31Å; A610-V614 PolarHBondContact O-N 2.75Å |
| 611 | G | 68.9 | Low | 74.9 | Confident | 45 Ų | 45 | 80.7 Ų | 80.7 | 46% | 0.464 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G607 I608 V609 G615 | G607-G611 PolarHBondContact O-N 3.37Å; I608-G611 PolarHBondContact O-N 3.25Å; V609-G611 PolarHBondContact O-N 2.95Å; G611-G615 PolarHBondContact O-N 3.11Å |
| 612 | S | 73 | Confident | 75 | Confident | 71 Ų | 71 | 81.9 Ų | 81.9 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 112 | I608 V609 A610 G615 A616 | I608-S612 VanDerWaalsContact O-CB 3.3Å; I608-S612 WeakPolarHBondContact O-CB 3.4Å; I608-S612 PolarHBondContact O-N 3.22Å; I608-S612 PolarHBondContact O-OG 3.07Å; V609-S612 PolarHBondContact O-N 3Å; A610-S612 VanDerWaalsContact C-N 3.34Å; A610-S612 PolarHBondContact O-N 3.23Å; S612-G615 PolarHBondContact O-N 3.28Å; S612-A616 WeakPolarHBondContact O-CB 3.33Å; S612-A616 PolarHBondContact O-N 3.25Å |
| 613 | V | 79.8 | Confident | 75.5 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V609 A610 G615 A616 L617 | V609-V613 WeakPolarHBondContact O-CG2 3.46Å; V609-V613 PolarHBondContact O-N 3.27Å; A610-V613 PolarHBondContact O-N 3.37Å; V613-G615 VanDerWaalsContact C-N 3.33Å; V613-G615 PolarHBondContact O-N 3.5Å; V613-A616 PolarHBondContact O-N 3.07Å; V613-L617 HydrophobicContact CG1-CD1 3.98Å; V613-L617 WeakPolarHBondContact O-CB 3.13Å; V613-L617 VanDerWaalsContact O-CG 3.31Å; V613-L617 WeakPolarHBondContact O-CG 3.09Å; V613-L617 PolarHBondContact O-N 2.93Å |
| 614 | V | 81.4 | Confident | 76.5 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | A610 L617 T618 | A610-V614 WeakPolarHBondContact O-CB 3.13Å; A610-V614 VanDerWaalsContact O-CG2 3.27Å; A610-V614 WeakPolarHBondContact O-CG2 3.31Å; A610-V614 PolarHBondContact O-N 2.75Å; V614-L617 PolarHBondContact O-N 2.84Å; V614-T618 HydrophobicContact CG1-CG2 4.44Å; V614-T618 WeakPolarHBondContact O-CB 3.34Å; V614-T618 VanDerWaalsContact O-CG2 3.31Å; V614-T618 WeakPolarHBondContact O-CG2 3.22Å; V614-T618 PolarHBondContact O-N 2.65Å; V614-T618 PolarHBondContact O-OG1 3.2Å |
| 615 | G | 81.8 | Confident | 77.6 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 34% | 0.34 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G611 S612 V613 T618 L619 | G611-G615 PolarHBondContact O-N 3.11Å; S612-G615 PolarHBondContact O-N 3.28Å; V613-G615 VanDerWaalsContact C-N 3.33Å; V613-G615 PolarHBondContact O-N 3.5Å; G615-T618 WeakPolarHBondContact CA-OG1 3.48Å; G615-T618 PolarHBondContact O-N 3.26Å; G615-T618 PolarHBondContact O-OG1 3.47Å; G615-L619 WeakPolarHBondContact O-CB 3.39Å; G615-L619 PolarHBondContact O-N 3.39Å |
| 616 | A | 84.7 | Confident | 78.9 | Confident | 54 Ų | 54 | 78 Ų | 78 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S612 V613 L619 I620 | S612-A616 WeakPolarHBondContact O-CB 3.33Å; S612-A616 PolarHBondContact O-N 3.25Å; V613-A616 PolarHBondContact O-N 3.07Å; A616-L619 PolarHBondContact O-N 3.29Å; A616-I620 VanDerWaalsContact O-CG1 3.31Å; A616-I620 WeakPolarHBondContact O-CG1 3.12Å; A616-I620 PolarHBondContact O-N 3.48Å |
| 617 | L | 87.3 | Confident | 80.3 | Confident | 103 Ų | 103 | 78.4 Ų | 78.4 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.2 | -72.7 | 170.3 | 0 | 0 | 0 | 112 | V613 V614 I620 V621 | V613-L617 HydrophobicContact CG1-CD1 3.98Å; V613-L617 WeakPolarHBondContact O-CB 3.13Å; V613-L617 VanDerWaalsContact O-CG 3.31Å; V613-L617 WeakPolarHBondContact O-CG 3.09Å; V613-L617 PolarHBondContact O-N 2.93Å; V614-L617 PolarHBondContact O-N 2.84Å; L617-I620 PolarHBondContact O-N 2.85Å; L617-V621 WeakPolarHBondContact O-CG2 3.41Å; L617-V621 PolarHBondContact O-N 3.36Å; L617-V621 VanDerWaalsContact O-N 3.09Å |
| 618 | T | 86.3 | Confident | 81.4 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 176.3 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | V614 G615 I620 V621 I622 | V614-T618 HydrophobicContact CG1-CG2 4.44Å; V614-T618 WeakPolarHBondContact O-CB 3.34Å; V614-T618 VanDerWaalsContact O-CG2 3.31Å; V614-T618 WeakPolarHBondContact O-CG2 3.22Å; V614-T618 PolarHBondContact O-N 2.65Å; V614-T618 PolarHBondContact O-OG1 3.2Å; G615-T618 WeakPolarHBondContact CA-OG1 3.48Å; G615-T618 PolarHBondContact O-N 3.26Å; G615-T618 PolarHBondContact O-OG1 3.47Å; T618-I620 PolarHBondContact O-N 2.75Å; T618-V621 PolarHBondContact O-N 3.08Å; T618-I622 VanDerWaalsContact O-CG1 3.31Å; T618-I622 WeakPolarHBondContact O-CG1 2.94Å; T618-I622 PolarHBondContact O-N 2.83Å |
| 619 | L | 88.3 | Confident | 82.2 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 175.4 | -142.8 | 99.3 | 0 | 0 | 0 | 112.1 | G615 A616 V621 I622 I623 | G615-L619 WeakPolarHBondContact O-CB 3.39Å; G615-L619 PolarHBondContact O-N 3.39Å; A616-L619 PolarHBondContact O-N 3.29Å; L619-V621 VanDerWaalsContact C-N 3.33Å; L619-V621 PolarHBondContact O-N 3.18Å; L619-I622 PolarHBondContact O-N 3.04Å; L619-I623 HydrophobicContact CD2-CD1 3.98Å; L619-I623 HydrophobicContact CG-CD1 4.43Å; L619-I623 WeakPolarHBondContact O-CB 3.41Å; L619-I623 VanDerWaalsContact O-CG1 3.27Å; L619-I623 WeakPolarHBondContact O-CG1 3.26Å; L619-I623 PolarHBondContact O-N 3.45Å |
| 620 | I | 89.8 | Confident | 82.8 | Confident | 101 Ų | 101 | 80.3 Ų | 80.3 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.5 | -69.7 | 166.1 | 0 | 0 | 0 | 110.8 | A616 L617 T618 I623 T624 | A616-I620 VanDerWaalsContact O-CG1 3.31Å; A616-I620 WeakPolarHBondContact O-CG1 3.12Å; A616-I620 PolarHBondContact O-N 3.48Å; L617-I620 PolarHBondContact O-N 2.85Å; T618-I620 PolarHBondContact O-N 2.75Å; I620-I623 PolarHBondContact O-N 3.13Å; I620-T624 PolarHBondContact O-N 3.17Å; I620-T624 PolarHBondContact O-OG1 2.83Å |
| 621 | V | 89.8 | Confident | 83.5 | Confident | 95 Ų | 95 | 86 Ų | 86 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L617 T618 L619 T624 A625 | L617-V621 WeakPolarHBondContact O-CG2 3.41Å; L617-V621 PolarHBondContact O-N 3.36Å; L617-V621 VanDerWaalsContact O-N 3.09Å; T618-V621 PolarHBondContact O-N 3.08Å; L619-V621 VanDerWaalsContact C-N 3.33Å; L619-V621 PolarHBondContact O-N 3.18Å; V621-T624 VanDerWaalsContact CA-OG1 3.3Å; V621-T624 WeakPolarHBondContact CA-OG1 3.36Å; V621-T624 PolarHBondContact O-N 3.29Å; V621-T624 PolarHBondContact O-OG1 2.96Å; V621-T624 VanDerWaalsContact O-OG1 3.07Å; V621-A625 VanDerWaalsContact O-CB 3.29Å; V621-A625 WeakPolarHBondContact O-CB 3.49Å; V621-A625 PolarHBondContact O-N 3.01Å |
| 622 | I | 89.4 | Confident | 83.8 | Confident | 98 Ų | 98 | 90.9 Ų | 90.9 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 176.7 | -68.3 | 166.6 | 0 | 0 | 0 | 110.6 | T618 L619 T624 A625 L626 | T618-I622 VanDerWaalsContact O-CG1 3.31Å; T618-I622 WeakPolarHBondContact O-CG1 2.94Å; T618-I622 PolarHBondContact O-N 2.83Å; L619-I622 PolarHBondContact O-N 3.04Å; I622-T624 PolarHBondContact O-N 2.79Å; I622-A625 PolarHBondContact O-N 3.31Å; I622-L626 HydrophobicContact CG2-CD1 4.03Å; I622-L626 HydrophobicContact CG2-CG 4.47Å; I622-L626 WeakPolarHBondContact O-CG 3.07Å; I622-L626 PolarHBondContact O-N 3.01Å |
| 623 | I | 89.2 | Confident | 83.7 | Confident | 83 Ų | 83 | 93.4 Ų | 93.4 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 178.7 | -69.4 | 167.5 | 0 | 0 | 0 | 110.6 | L619 I620 A625 L626 I627 | L619-I623 HydrophobicContact CD2-CD1 3.98Å; L619-I623 HydrophobicContact CG-CD1 4.43Å; L619-I623 WeakPolarHBondContact O-CB 3.41Å; L619-I623 VanDerWaalsContact O-CG1 3.27Å; L619-I623 WeakPolarHBondContact O-CG1 3.26Å; L619-I623 PolarHBondContact O-N 3.45Å; I620-I623 PolarHBondContact O-N 3.13Å; I623-A625 PolarHBondContact O-N 2.93Å; I623-L626 PolarHBondContact O-N 3.1Å; I623-I627 HydrophobicContact CG2-CD1 3.78Å; I623-I627 HydrophobicContact CG2-CG1 4.42Å; I623-I627 VanDerWaalsContact O-CG1 3.27Å; I623-I627 WeakPolarHBondContact O-CG1 3.37Å; I623-I627 PolarHBondContact O-N 3.5Å |
| 624 | T | 86.7 | Confident | 83.1 | Confident | 70 Ų | 70 | 97.4 Ų | 97.4 | 43% | 0.429 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176 | 33.6 | 0 | 0 | 0 | 0 | 111.9 | I620 V621 I622 L626 I627 L628 | I620-T624 PolarHBondContact O-N 3.17Å; I620-T624 PolarHBondContact O-OG1 2.83Å; V621-T624 VanDerWaalsContact CA-OG1 3.3Å; V621-T624 WeakPolarHBondContact CA-OG1 3.36Å; V621-T624 PolarHBondContact O-N 3.29Å; V621-T624 PolarHBondContact O-OG1 2.96Å; V621-T624 VanDerWaalsContact O-OG1 3.07Å; I622-T624 PolarHBondContact O-N 2.79Å; T624-L626 PolarHBondContact O-N 3.45Å; T624-I627 PolarHBondContact O-N 2.74Å; T624-L628 WeakPolarHBondContact O-CB 3.45Å; T624-L628 VanDerWaalsContact O-CG 3.23Å; T624-L628 WeakPolarHBondContact O-CG 3.27Å; T624-L628 PolarHBondContact O-N 2.58Å |
| 625 | A | 86.1 | Confident | 82.1 | Confident | 54 Ų | 54 | 102.2 Ų | 102.2 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | V621 I622 I623 L628 H629 | V621-A625 VanDerWaalsContact O-CB 3.29Å; V621-A625 WeakPolarHBondContact O-CB 3.49Å; V621-A625 PolarHBondContact O-N 3.01Å; I622-A625 PolarHBondContact O-N 3.31Å; I623-A625 PolarHBondContact O-N 2.93Å; A625-L628 PolarHBondContact O-N 2.86Å; A625-H629 VanDerWaalsContact O-CB 3.29Å; A625-H629 WeakPolarHBondContact O-CB 3.31Å; A625-H629 PolarHBondContact O-N 2.85Å |
| 626 | L | 86.7 | Confident | 81.1 | Confident | 110 Ų | 110 | 108.1 Ų | 108.1 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 174.9 | -72.3 | 171 | 0 | 0 | 0 | 112.1 | I622 I623 T624 H629 S630 | I622-L626 HydrophobicContact CG2-CD1 4.03Å; I622-L626 HydrophobicContact CG2-CG 4.47Å; I622-L626 WeakPolarHBondContact O-CG 3.07Å; I622-L626 PolarHBondContact O-N 3.01Å; I623-L626 PolarHBondContact O-N 3.1Å; T624-L626 PolarHBondContact O-N 3.45Å; L626-H629 PolarHBondContact O-N 3.39Å; L626-S630 WeakPolarHBondContact O-CB 3.45Å; L626-S630 PolarHBondContact O-N 3.07Å; L626-S630 PolarHBondContact O-OG 3.44Å |
| 627 | I | 85.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 108.4 Ų | 108.4 | 40% | 0.4 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.6 | -68.8 | 168.1 | 0 | 0 | 0 | 110.6 | I623 T624 S630 R631 | I623-I627 HydrophobicContact CG2-CD1 3.78Å; I623-I627 HydrophobicContact CG2-CG1 4.42Å; I623-I627 VanDerWaalsContact O-CG1 3.27Å; I623-I627 WeakPolarHBondContact O-CG1 3.37Å; I623-I627 PolarHBondContact O-N 3.5Å; T624-I627 PolarHBondContact O-N 2.74Å; I627-S630 WeakPolarHBondContact CA-OG 3.4Å; I627-S630 PolarHBondContact O-OG 2.81Å; I627-R631 WeakPolarHBondContact O-CB 3.37Å; I627-R631 WeakPolarHBondContact O-CG 3.21Å; I627-R631 PolarHBondContact O-N 3.03Å |
| 628 | L | 82.9 | Confident | 78.3 | Confident | 114 Ų | 114 | 106.4 Ų | 106.4 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.2 | -39.1 | 176.2 | -71.2 | 172.1 | 0 | 0 | 0 | 111.7 | T624 A625 R631 K632 | T624-L628 WeakPolarHBondContact O-CB 3.45Å; T624-L628 VanDerWaalsContact O-CG 3.23Å; T624-L628 WeakPolarHBondContact O-CG 3.27Å; T624-L628 PolarHBondContact O-N 2.58Å; A625-L628 PolarHBondContact O-N 2.86Å; L628-R631 PolarHBondContact O-N 3.18Å; L628-K632 WeakPolarHBondContact O-CB 3.49Å; L628-K632 PolarHBondContact O-N 3.22Å |
| 629 | H | 80.6 | Confident | 76.8 | Confident | 112 Ų | 112 | 107.8 Ų | 107.8 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 177.1 | -167.8 | -84.8 | 0 | 0 | 0 | 111.9 | A625 L626 K632 Q633 | A625-H629 VanDerWaalsContact O-CB 3.29Å; A625-H629 WeakPolarHBondContact O-CB 3.31Å; A625-H629 PolarHBondContact O-N 2.85Å; L626-H629 PolarHBondContact O-N 3.39Å; H629-K632 WeakPolarHBondContact O-CB 3.28Å; H629-K632 PolarHBondContact O-N 2.77Å; H629-Q633 PolarHBondContact O-N 3.41Å |
| 630 | S | 77.3 | Confident | 75.1 | Confident | 58 Ų | 58 | 105.7 Ų | 105.7 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 175 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | L626 I627 Q633 K634 | L626-S630 WeakPolarHBondContact O-CB 3.45Å; L626-S630 PolarHBondContact O-N 3.07Å; L626-S630 PolarHBondContact O-OG 3.44Å; I627-S630 WeakPolarHBondContact CA-OG 3.4Å; I627-S630 PolarHBondContact O-OG 2.81Å; S630-Q633 PolarHBondContact O-N 2.76Å; S630-K634 PolarHBondContact O-N 2.99Å |
| 631 | R | 77.7 | Confident | 73.4 | Confident | 176 Ų | 176 | 106.2 Ų | 106.2 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.6 | -40.1 | 170.4 | -80.1 | -179.7 | 160.5 | 174.3 | -4.2 | 112.1 | I627 L628 K634 R635 | I627-R631 WeakPolarHBondContact O-CB 3.37Å; I627-R631 WeakPolarHBondContact O-CG 3.21Å; I627-R631 PolarHBondContact O-N 3.03Å; L628-R631 PolarHBondContact O-N 3.18Å; R631-K634 PolarHBondContact O-N 3.13Å; R631-R635 PolarHBondContact O-N 2.83Å |
| 632 | K | 75.6 | Confident | 71.5 | Confident | 147 Ų | 147 | 108 Ų | 108 | 64% | 0.639 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67 | -37.9 | 176.4 | -165.8 | 176.4 | -177.3 | 178.7 | 0 | 112 | L628 H629 R635 K636 | L628-K632 WeakPolarHBondContact O-CB 3.49Å; L628-K632 PolarHBondContact O-N 3.22Å; H629-K632 WeakPolarHBondContact O-CB 3.28Å; H629-K632 PolarHBondContact O-N 2.77Å; K632-R635 PolarHBondContact O-N 2.76Å; K632-K636 PolarHBondContact O-N 3.39Å |
| 633 | Q | 70.4 | Confident | 69.7 | Low | 125 Ų | 125 | 110.9 Ų | 110.9 | 58% | 0.584 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.6 | -41.6 | 173.1 | -82.5 | -173.3 | -29.5 | 0 | 0 | 112.5 | H629 S630 R635 K636 S637 | H629-Q633 PolarHBondContact O-N 3.41Å; S630-Q633 PolarHBondContact O-N 2.76Å; Q633-R635 VanDerWaalsContact C-N 3.32Å; Q633-R635 PolarHBondContact O-N 3.28Å; Q633-K636 PolarHBondContact O-N 2.94Å; Q633-S637 PolarHBondContact O-N 3.48Å |
| 634 | K | 67.1 | Low | 67.9 | Low | 165 Ų | 165 | 116.7 Ų | 116.7 | 72% | 0.717 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62 | -36.7 | 172.5 | -94.6 | -174.4 | 173.2 | -177.2 | 0 | 113.1 | S630 R631 S637 S638 | S630-K634 PolarHBondContact O-N 2.99Å; R631-K634 PolarHBondContact O-N 3.13Å; K634-S637 PolarHBondContact O-N 3.14Å; K634-S637 PolarHBondContact O-OG 3.27Å; K634-S637 VanDerWaalsContact O-OG 3.06Å; K634-S638 PolarHBondContact O-N 2.98Å |
| 635 | R | 61.9 | Low | 66.3 | Low | 190 Ų | 190 | 117.6 Ų | 117.6 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.9 | -38.6 | 175.6 | -125.2 | 175.1 | 177 | 172.6 | -2.4 | 112.3 | R631 K632 Q633 S637 S638 D639 | R631-R635 PolarHBondContact O-N 2.83Å; K632-R635 PolarHBondContact O-N 2.76Å; Q633-R635 VanDerWaalsContact C-N 3.32Å; Q633-R635 PolarHBondContact O-N 3.28Å; R635-S637 VanDerWaalsContact C-N 3.34Å; R635-S638 PolarHBondContact O-N 3.08Å; R635-S638 PolarHBondContact O-OG 2.84Å; R635-S638 VanDerWaalsContact O-OG 3.04Å; R635-D639 PolarHBondContact O-N 2.8Å |
| 636 | K | 59.4 | Low | 64.7 | Low | 158 Ų | 158 | 122 Ų | 122 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.2 | -33.4 | 172.7 | -101.7 | -174.6 | 171.9 | -171.3 | 0 | 113 | K632 Q633 S640 | K632-K636 PolarHBondContact O-N 3.39Å; Q633-K636 PolarHBondContact O-N 2.94Å; K636-S640 PolarHBondContact O-N 3.45Å; K636-S640 PolarHBondContact O-OG 3.18Å |
| 637 | S | 57.4 | Low | 63.1 | Low | 60 Ų | 60 | 122.5 Ų | 122.5 | 42% | 0.42 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.9 | -33.2 | 175 | 80.5 | 0 | 0 | 0 | 0 | 112.3 | Q633 K634 R635 S640 D641 | Q633-S637 PolarHBondContact O-N 3.48Å; K634-S637 PolarHBondContact O-N 3.14Å; K634-S637 PolarHBondContact O-OG 3.27Å; K634-S637 VanDerWaalsContact O-OG 3.06Å; R635-S637 VanDerWaalsContact C-N 3.34Å; S637-S640 WeakPolarHBondContact CA-OG 3.34Å; S637-S640 PolarHBondContact O-OG 3.3Å; S637-D641 PolarHBondContact O-N 2.8Å |
| 638 | S | 56.1 | Low | 61.5 | Low | 60 Ų | 60 | 123.7 Ų | 123.7 | 42% | 0.42 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.8 | -38.5 | 174.6 | 73.4 | 0 | 0 | 0 | 0 | 112.7 | K634 R635 S640 D641 E642 | K634-S638 PolarHBondContact O-N 2.98Å; R635-S638 PolarHBondContact O-N 3.08Å; R635-S638 PolarHBondContact O-OG 2.84Å; R635-S638 VanDerWaalsContact O-OG 3.04Å; S638-S640 VanDerWaalsContact C-N 3.33Å; S638-S640 PolarHBondContact O-N 3.45Å; S638-D641 PolarHBondContact O-N 3.35Å; S638-E642 PolarHBondContact O-N 2.95Å; S638-E642 VanDerWaalsContact O-N 3.07Å |
| 639 | D | 54.8 | Low | 60 | Low | 101 Ų | 101 | 127.7 Ų | 127.7 | 54% | 0.54 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -36.6 | 174.2 | -85.9 | -13.9 | 0 | 0 | 0 | 111.8 | R635 D641 E642 E643 | R635-D639 PolarHBondContact O-N 2.8Å; D639-D641 VanDerWaalsContact C-N 3.3Å; D639-D641 PolarHBondContact O-N 2.92Å; D639-E642 PolarHBondContact O-N 2.61Å; D639-E643 PolarHBondContact O-N 3.08Å |
| 640 | S | 53.2 | Low | 58 | Low | 64 Ų | 64 | 134.1 Ų | 134.1 | 45% | 0.448 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -70.7 | -22.9 | 176.1 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | K636 S637 S638 | K636-S640 PolarHBondContact O-N 3.45Å; K636-S640 PolarHBondContact O-OG 3.18Å; S637-S640 WeakPolarHBondContact CA-OG 3.34Å; S637-S640 PolarHBondContact O-OG 3.3Å; S638-S640 VanDerWaalsContact C-N 3.33Å; S638-S640 PolarHBondContact O-N 3.45Å |
| 641 | D | 53 | Low | 57.1 | Low | 113 Ų | 113 | 138 Ų | 138 | 60% | 0.604 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -85.2 | -27.8 | 174.8 | -75.5 | -26.9 | 0 | 0 | 0 | 111.9 | S637 S638 D639 | S637-D641 PolarHBondContact O-N 2.8Å; S638-D641 PolarHBondContact O-N 3.35Å; D639-D641 VanDerWaalsContact C-N 3.3Å; D639-D641 PolarHBondContact O-N 2.92Å |
| 642 | E | 51.4 | Low | 56 | Low | 133 Ų | 133 | 135.9 Ų | 135.9 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.4 | -32.4 | 175.8 | -158.3 | 165.2 | -173.1 | 0 | 0 | 112.3 | S638 D639 R644 S645 | S638-E642 PolarHBondContact O-N 2.95Å; S638-E642 VanDerWaalsContact O-N 3.07Å; D639-E642 PolarHBondContact O-N 2.61Å; E642-R644 VanDerWaalsContact C-N 3.29Å; E642-R644 PolarHBondContact O-N 3.12Å; E642-S645 PolarHBondContact O-N 2.79Å |
| 643 | E | 51.1 | Low | 54.9 | Low | 158 Ų | 158 | 135.3 Ų | 135.3 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -22.9 | 173.8 | -141.2 | 172 | -160.8 | 0 | 0 | 112.7 | D639 | D639-E643 PolarHBondContact O-N 3.08Š|
| 644 | R | 51.1 | Low | 54 | Low | 205 Ų | 205 | 135.9 Ų | 135.9 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -14.6 | 176.7 | -138.4 | 173.1 | -172.8 | -172.9 | 0.8 | 113.8 | E642 | E642-R644 VanDerWaalsContact C-N 3.29Å; E642-R644 PolarHBondContact O-N 3.12Å |
| 645 | S | 52.5 | Low | 53.2 | Low | 88 Ų | 88 | 134.1 Ų | 134.1 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -25.3 | 177.9 | -171.8 | 0 | 0 | 0 | 0 | 113.1 | E642 | E642-S645 PolarHBondContact O-N 2.79Š|
| 646 | N | 52.9 | Low | 52.6 | Low | 146 Ų | 146 | 130.4 Ų | 130.4 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 2.4 | -176.4 | -96.5 | -18.1 | 0 | 0 | 0 | 115.8 | ||
| 647 | T | 52.8 | Low | 52.1 | Low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 12 | 176.7 | 28.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 648 | S | 51.9 | Low | 51.7 | Low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -115.7 | 26.8 | 176.7 | 102.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 649 | K | 51.8 | Low | 51.3 | Low | 197 Ų | 197 | 139.8 Ų | 139.8 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | trans | -122.9 | 81.1 | 163.3 | -82.1 | -173.6 | 178.8 | 176.7 | 0 | 110.3 | ||||
| 650 | L | 39.4 | Very low | 51 | Low | 248 Ų | 248 | 143.4 Ų | 143.4 | 100% | 1.298 | 75% | 0.746 | S | S | * | * | trans | -165.5 | 0 | 144.8 | -107.6 | 149.2 | 0 | 0 | 0 | 109.2 |
Retrieved 650 of 650 residues in 593.5 ms
(Link to these results)