| 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 | 38.9 | Very low | 79.8 | Confident | 230 Ų | 230 | 72.7 Ų | 72.7 | 100% | 1.133 | 38% | 0.384 | S | S | * | . | 0 | 133.8 | 0 | -63.1 | -173.6 | -144.6 | 0 | 0 | 106.6 | D3 | M1-D3 PolarHBondContact O-N 3.08Š| |||
| 2 | S | 49.4 | Very low | 80.9 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | trans | -73.2 | 108.3 | -171.5 | -20.4 | 0 | 0 | 0 | 0 | 110.1 | N4 | S2-N4 PolarHBondContact O-N 3.1Š| ||
| 3 | D | 66.3 | Low | 81.6 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 62% | 0.62 | 33% | 0.333 | S | S | * | . | trans | -75 | 53.4 | 174.4 | -77.2 | -33.5 | 0 | 0 | 0 | 111.8 | M1 L5 | M1-D3 PolarHBondContact O-N 3.08Å; D3-L5 PolarHBondContact O-N 2.78Å | ||
| 4 | N | 80.3 | Confident | 81.7 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -76.4 | 114.7 | 173.2 | -67.6 | -0.3 | 0 | 0 | 0 | 108.2 | S2 E7 I31 | S2-N4 PolarHBondContact O-N 3.1Å; N4-E7 PolarHBondContact ND2-OE2 3.4Å; N4-I31 HydrophobicContact CB-CG2 4.17Å | ||
| 5 | L | 85 | Confident | 81.3 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -78 | -40 | 177.5 | -66.6 | 178.1 | 0 | 0 | 0 | 112.2 | D3 L32 Q34 V110 | D3-L5 PolarHBondContact O-N 2.78Å; L5-L32 WeakPolarHBondContact CA-O 3.36Å; L5-L32 HydrophobicContact CB-CD2 4.47Å; L5-L32 HydrophobicContact CB-CG 4.27Å; L5-L32 WeakPolarHBondContact CB-O 3.34Å; L5-L32 HydrophobicContact CD1-CG 4.48Å; L5-L32 PolarHBondContact N-O 3.18Å; L5-Q34 HydrophobicContact CD1-CG 3.91Å; L5-Q34 HydrophobicContact CD2-CG 4.36Å; L5-Q34 HydrophobicContact CG-CG 4.37Å; L5-V110 HydrophobicContact CD1-CG1 3.79Å |
| 6 | L | 91.8 | Very high | 80.6 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 148.4 | 174.7 | -69 | 176.4 | 0 | 0 | 0 | 109.8 | I31 L32 W103 K106 | L6-I31 WeakPolarHBondContact O-CA 3.44Å; L6-L32 HydrophobicContact CB-CB 4.17Å; L6-L32 HydrophobicContact CB-CD2 4.47Å; L6-L32 HydrophobicContact CD1-CD2 4.24Å; L6-L32 PolarHBondContact N-O 3.22Å; L6-L32 PolarHBondContact O-N 3.38Å; L6-W103 HydrophobicContact CB-CD2 4.39Å; L6-W103 HydrophobicContact CB-CH2 3.96Å; L6-W103 HydrophobicContact CB-CZ2 3.56Å; L6-W103 HydrophobicContact CD1-CD2 3.86Å; L6-W103 HydrophobicContact CD1-CE3 4.4Å; L6-W103 HydrophobicContact CD1-CG 3.95Å; L6-K106 HydrophobicContact CD1-CB 3.56Å; L6-K106 HydrophobicContact CD1-CG 3.77Å; L6-K106 HydrophobicContact CG-CB 4.45Å; L6-K106 HydrophobicContact CG-CG 4.15Å |
| 7 | E | 93 | Very high | 79.6 | Confident | 101 Ų | 101 | 61.5 Ų | 61.5 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 128.7 | 174.1 | 178.2 | 166.4 | 165.8 | 0 | 0 | 108.9 | N4 L29 F30 I31 | N4-E7 PolarHBondContact ND2-OE2 3.4Å; E7-L29 HydrophobicContact CG-CD1 3.67Å; E7-L29 HydrophobicContact CG-CG 4.31Å; E7-L29 WeakPolarHBondContact OE1-CD2 3.27Å; E7-F30 VanDerWaalsContact CA-O 3.29Å; E7-F30 WeakPolarHBondContact CA-O 3.27Å; E7-I31 HydrophobicContact CG-CG1 4.02Å |
| 8 | E | 93.6 | Very high | 78.3 | Confident | 64 Ų | 64 | 64.1 Ų | 64.1 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 152.4 | -176.5 | -171.7 | 55.1 | -89.2 | 0 | 0 | 111.7 | F10 F30 V99 W103 | E8-F10 HydrophobicContact CB-CD2 4.47Å; E8-F10 HydrophobicContact CB-CE1 4.34Å; E8-F10 HydrophobicContact CB-CE2 3.84Å; E8-F10 HydrophobicContact CB-CZ 3.78Å; E8-F10 HydrophobicContact CG-CD1 4.23Å; E8-F10 HydrophobicContact CG-CE1 3.67Å; E8-F10 HydrophobicContact CG-CE2 4.09Å; E8-F10 HydrophobicContact CG-CZ 3.58Å; E8-F30 PolarHBondContact N-O 3.41Å; E8-F30 PolarHBondContact O-N 2.92Å; E8-V99 HydrophobicContact CG-CG1 3.9Å; E8-W103 HydrophobicContact CB-CZ2 3.47Å; E8-W103 VanDerWaalsContact CB-CZ2 3.47Å |
| 9 | I | 91.9 | Very high | 76.7 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 11% | 0.108 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.1 | 174.1 | -59.6 | 171 | 0 | 0 | 0 | 109.5 | E27 R28 L29 Y42 L44 | I9-E27 HydrophobicContact CG2-CB 4.32Å; I9-R28 WeakPolarHBondContact CA-O 3.28Å; I9-L29 HydrophobicContact CG1-CD1 3.96Å; I9-Y42 HydrophobicContact CD1-CD1 3.59Å; I9-Y42 HydrophobicContact CD1-CE1 3.39Å; I9-Y42 HydrophobicContact CD1-CG 4.32Å; I9-Y42 HydrophobicContact CG1-CD1 4.31Å; I9-Y42 HydrophobicContact CG1-CE1 4.42Å; I9-L44 HydrophobicContact CD1-CD2 4.24Å |
| 10 | F | 94.4 | Very high | 75.3 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 155.5 | 176.8 | -64.6 | -55.5 | 0 | 0 | 0 | 112.6 | E8 E27 R28 F30 F81 I92 F93 A94 V99 W103 | E8-F10 HydrophobicContact CB-CD2 4.47Å; E8-F10 HydrophobicContact CB-CE1 4.34Å; E8-F10 HydrophobicContact CB-CE2 3.84Å; E8-F10 HydrophobicContact CB-CZ 3.78Å; E8-F10 HydrophobicContact CG-CD1 4.23Å; E8-F10 HydrophobicContact CG-CE1 3.67Å; E8-F10 HydrophobicContact CG-CE2 4.09Å; E8-F10 HydrophobicContact CG-CZ 3.58Å; F10-E27 CarbonylContact O-C 3.53Å; F10-E27 WeakPolarHBondContact O-CA 3.43Å; F10-R28 PolarHBondContact N-O 3.14Å; F10-R28 PolarHBondContact O-N 2.82Å; F10-F30 HydrophobicContact CB-CD2 3.79Å; F10-F30 HydrophobicContact CB-CE2 3.87Å; F10-F30 HydrophobicContact CD2-CB 3.91Å; F10-F30 AromaticContact CD2-CD2 3.7Å; F10-F30 HydrophobicContact CD2-CD2 3.7Å; F10-F30 HydrophobicContact CD2-CE2 4.4Å; F10-F30 AromaticContact CD2-CG 3.88Å; F10-F30 HydrophobicContact CD2-CG 3.88Å; F10-F30 HydrophobicContact CE2-CB 4.35Å; F10-F30 HydrophobicContact CG-CD2 4.23Å; F10-F81 HydrophobicContact CE1-CE1 4.45Å; F10-F81 HydrophobicContact CE2-CZ 4.24Å; F10-F81 HydrophobicContact CZ-CE1 4.41Å; F10-F81 HydrophobicContact CZ-CZ 4.37Å; F10-I92 HydrophobicContact CB-CG2 3.35Å; F10-I92 HydrophobicContact CD1-CG2 4.19Å; F10-I92 HydrophobicContact CD2-CG2 3.65Å; F10-I92 HydrophobicContact CE2-CG2 4.47Å; F10-I92 HydrophobicContact CG-CG2 3.48Å; F10-I92 VanDerWaalsContact CG-CG2 3.48Å; F10-F93 WeakPolarHBondContact CD1-O 3.27Å; F10-A94 HydrophobicContact CD1-CB 4.17Å; F10-A94 HydrophobicContact CE1-CB 3.75Å; F10-V99 HydrophobicContact CE1-CG1 3.64Å; F10-V99 HydrophobicContact CZ-CG1 3.85Å; F10-W103 AromaticContact CE2-CD2 3.51Å; F10-W103 HydrophobicContact CE2-CD2 3.51Å; F10-W103 AromaticContact CE2-CE2 3.46Å; F10-W103 VanDerWaalsContact CE2-CE2 3.46Å; F10-W103 AromaticContact CE2-CE3 3.81Å; F10-W103 HydrophobicContact CE2-CE3 3.81Å; F10-W103 HydrophobicContact CE2-CG 4.03Å; F10-W103 HydrophobicContact CE2-CH2 4.01Å; F10-W103 AromaticContact CE2-CZ2 3.73Å; F10-W103 HydrophobicContact CE2-CZ2 3.73Å; F10-W103 HydrophobicContact CE2-CZ3 4.05Å; F10-W103 AromaticContact CE2-NE1 3.91Å; F10-W103 HydrophobicContact CZ-CB 4.46Å; F10-W103 AromaticContact CZ-CD1 3.6Å; F10-W103 AromaticContact CZ-CD2 3.67Å; F10-W103 HydrophobicContact CZ-CD2 3.67Å; F10-W103 AromaticContact CZ-CE2 3.6Å; F10-W103 HydrophobicContact CZ-CE3 4.38Å; F10-W103 AromaticContact CZ-CG 3.67Å; F10-W103 HydrophobicContact CZ-CG 3.67Å; F10-W103 HydrophobicContact CZ-CZ2 4.26Å; F10-W103 AromaticContact CZ-NE1 3.53Å |
| 11 | I | 92.8 | Very high | 74.3 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 127.1 | 164.6 | -60.5 | 168.1 | 0 | 0 | 0 | 108 | F25 E27 E76 I92 F93 | I11-F25 HydrophobicContact CG2-CB 3.74Å; I11-F25 HydrophobicContact CG2-CD1 4.06Å; I11-F25 HydrophobicContact CG2-CG 4.39Å; I11-E27 HydrophobicContact CG1-CG 3.78Å; I11-E76 HydrophobicContact CD1-CB 3.92Å; I11-I92 WeakPolarHBondContact O-CA 3.41Å; I11-F93 HydrophobicContact CB-CB 4.17Å; I11-F93 HydrophobicContact CB-CD2 4.3Å; I11-F93 HydrophobicContact CG2-CD2 4.12Å; I11-F93 PolarHBondContact N-O 2.79Å; I11-F93 WeakPolarHBondContact O-CD2 3.47Å; I11-F93 PolarHBondContact O-N 3.4Å |
| 12 | K | 93.1 | Very high | 75.2 | Confident | 26 Ų | 26 | 64 Ų | 64 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.3 | 175 | -177.3 | -168.2 | 174.6 | -60.5 | 0 | 109.7 | F25 K26 R28 F30 Y39 L90 | K12-F25 WeakPolarHBondContact O-CA 3.41Å; K12-K26 PolarHBondContact N-O 3.06Å; K12-K26 PolarHBondContact O-N 3.49Å; K12-R28 HydrophobicContact CB-CG 4.25Å; K12-F30 HydrophobicContact CB-CE2 4.25Å; K12-F30 HydrophobicContact CB-CZ 4.11Å; K12-F30 HydrophobicContact CD-CZ 4.36Å; K12-F30 HydrophobicContact CG-CZ 4.23Å; K12-Y39 HydrophobicContact CD-CD2 4.02Å; K12-Y39 HydrophobicContact CD-CE2 3.8Å; K12-Y39 VanDerWaalsContact CE-CZ 3.44Å; K12-L90 HydrophobicContact CD-CD1 4.09Å; K12-L90 VanDerWaalsContact CE-CD1 3.43Å; K12-L90 HydrophobicContact CG-CD1 3.89Å |
| 13 | R | 89.9 | Confident | 76.5 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 144 | 167.2 | -158.6 | 169.3 | 147.1 | 149.7 | 6.8 | 110.2 | Q15 L23 N24 F25 E70 Y91 F93 W126 | R13-Q15 PolarHBondContact O-N 2.8Å; R13-L23 HydrophobicContact CG-CD1 3.81Å; R13-N24 CarbonylContact C-O 3.56Å; R13-F25 HydrophobicContact CB-CD1 4.35Å; R13-F25 HydrophobicContact CB-CE1 4.12Å; R13-F25 HydrophobicContact CG-CD1 4.28Å; R13-F25 HydrophobicContact CG-CE1 3.7Å; R13-F25 HydrophobicContact CG-CZ 4.02Å; R13-E70 IonicContact NH1-OE1 2.64Å; R13-Y91 HydrophobicContact CB-CD2 4.39Å; R13-Y91 PolarHBondContact N-O 2.68Å; R13-F93 HydrophobicContact CB-CE2 4.03Å; R13-W126 PolarHBondContact NH2-O 2.81Å |
| 14 | S | 83.4 | Confident | 77.2 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 136.8 | 165.4 | 72.6 | 0 | 0 | 0 | 0 | 108.6 | Q16 P22 N24 | S14-Q16 PolarHBondContact O-N 3Å; S14-P22 PolarHBondContact OG-O 3.49Å; S14-N24 PolarHBondContact N-O 2.8Å; S14-N24 PolarHBondContact OG-N 2.99Å; S14-N24 VanDerWaalsContact OG-N 3.13Å |
| 15 | Q | 76.4 | Confident | 77.6 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | trans | -77.6 | -3.1 | -178.8 | -75.1 | 170.6 | -56.9 | 0 | 0 | 112.2 | R13 K17 Y85 L90 K139 | R13-Q15 PolarHBondContact O-N 2.8Å; Q15-K17 HydrophobicContact CB-CG 4.45Å; Q15-K17 PolarHBondContact O-N 3.09Å; Q15-Y85 PolarHBondContact NE2-OH 2.92Å; Q15-L90 HydrophobicContact CG-CD1 4.33Å; Q15-K139 PolarHBondContact O-NZ 3.35Å | ||
| 16 | Q | 69 | Low | 77.7 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | trans | 43.7 | 64.3 | -176.2 | -62.3 | 179.1 | -64.9 | 0 | 0 | 110.8 | S14 K18 S21 L23 K139 | S14-Q16 PolarHBondContact O-N 3Å; Q16-K18 PolarHBondContact O-N 3.26Å; Q16-S21 PolarHBondContact NE2-O 2.85Å; Q16-L23 HydrophobicContact CG-CD1 4.3Å; Q16-K139 PolarHBondContact O-NZ 3.41Å; Q16-K139 VanDerWaalsContact O-NZ 3.15Å | ||
| 17 | K | 64.5 | Low | 77.7 | Confident | 137 Ų | 137 | 65.2 Ų | 65.2 | 60% | 0.596 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -65 | -21.7 | 179.3 | -68.6 | -169.1 | 174.3 | -166.2 | 0 | 111.6 | Q15 E87 | Q15-K17 HydrophobicContact CB-CG 4.45Å; Q15-K17 PolarHBondContact O-N 3.09Å; K17-E87 WeakPolarHBondContact CE-OE2 3.23Å; K17-E87 IonicContact NZ-OE1 2.83Å; K17-E87 PolarHBondContact NZ-OE1 3.37Å; K17-E87 VanDerWaalsContact NZ-OE1 3.14Å; K17-E87 IonicContact NZ-OE2 2.8Å; K17-E87 PolarHBondContact NZ-OE2 3.36Å |
| 18 | K | 55.6 | Low | 77.7 | Confident | 107 Ų | 107 | 62.3 Ų | 62.3 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -118.8 | 150.5 | 168.6 | -49.6 | 177.7 | 179.1 | 179.8 | 0 | 109.2 | Q16 T20 S21 D416 | Q16-K18 PolarHBondContact O-N 3.26Å; K18-T20 PolarHBondContact O-N 2.88Å; K18-S21 WeakPolarHBondContact CB-OG 3.39Å; K18-S21 PolarHBondContact N-OG 3.19Å; K18-S21 VanDerWaalsContact O-CB 3.27Å; K18-S21 WeakPolarHBondContact O-CB 3.11Å; K18-S21 PolarHBondContact O-N 2.89Å; K18-S21 PolarHBondContact O-OG 2.87Å; K18-D416 IonicContact NZ-OD2 2.83Å; K18-D416 PolarHBondContact NZ-OD2 2.67Å |
| 19 | K | 48.7 | Very low | 77.7 | Confident | 176 Ų | 176 | 59.6 Ų | 59.6 | 77% | 0.765 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.7 | 179.1 | -162.8 | 176.4 | 180 | -177 | 0 | 112.7 | ||
| 20 | T | 47.7 | Very low | 77.8 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 78% | 0.779 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -3.6 | 176.6 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | K18 | K18-T20 PolarHBondContact O-N 2.88Š|
| 21 | S | 55.5 | Low | 77.8 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -65 | 126.4 | -179.3 | -69.1 | 0 | 0 | 0 | 0 | 110.5 | Q16 K18 L23 | Q16-S21 PolarHBondContact NE2-O 2.85Å; K18-S21 WeakPolarHBondContact CB-OG 3.39Å; K18-S21 PolarHBondContact N-OG 3.19Å; K18-S21 VanDerWaalsContact O-CB 3.27Å; K18-S21 WeakPolarHBondContact O-CB 3.11Å; K18-S21 PolarHBondContact O-N 2.89Å; K18-S21 PolarHBondContact O-OG 2.87Å; S21-L23 PolarHBondContact O-N 3.05Å |
| 22 | P | 57.8 | Low | 77.9 | Confident | 85 Ų | 85 | 58 Ų | 58 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | trans | -59.4 | 138.1 | -178.4 | 22 | -31.9 | 0 | 0 | 0 | 110.8 | S14 N24 | S14-P22 PolarHBondContact OG-O 3.49Å; P22-N24 PolarHBondContact O-N 3.36Å; P22-N24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | L | 76 | Confident | 77.9 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | trans | -74.6 | 99.4 | 175.4 | -175.2 | 70 | 0 | 0 | 0 | 108.5 | R13 Q16 S21 F25 | R13-L23 HydrophobicContact CG-CD1 3.81Å; Q16-L23 HydrophobicContact CG-CD1 4.3Å; S21-L23 PolarHBondContact O-N 3.05Å; L23-F25 HydrophobicContact CD2-CE2 4.09Å; L23-F25 HydrophobicContact CD2-CZ 4.24Å; L23-F25 HydrophobicContact CG-CE2 3.97Å; L23-F25 HydrophobicContact CG-CZ 4.28Å | ||
| 24 | N | 81.4 | Confident | 77.8 | Confident | 77 Ų | 77 | 64 Ų | 64 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | trans | -116.7 | 144.3 | -174.3 | -71.4 | -24.8 | 0 | 0 | 0 | 110.6 | R13 S14 P22 | R13-N24 CarbonylContact C-O 3.56Å; S14-N24 PolarHBondContact N-O 2.8Å; S14-N24 PolarHBondContact OG-N 2.99Å; S14-N24 VanDerWaalsContact OG-N 3.13Å; P22-N24 PolarHBondContact O-N 3.36Å; P22-N24 VanDerWaalsContact O-N 3.08Å | ||
| 25 | F | 87.6 | Confident | 78.2 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 26% | 0.263 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.2 | 174.4 | -62.7 | -92.7 | 0 | 0 | 0 | 108.2 | I11 K12 R13 L23 F93 | I11-F25 HydrophobicContact CG2-CB 3.74Å; I11-F25 HydrophobicContact CG2-CD1 4.06Å; I11-F25 HydrophobicContact CG2-CG 4.39Å; K12-F25 WeakPolarHBondContact O-CA 3.41Å; R13-F25 HydrophobicContact CB-CD1 4.35Å; R13-F25 HydrophobicContact CB-CE1 4.12Å; R13-F25 HydrophobicContact CG-CD1 4.28Å; R13-F25 HydrophobicContact CG-CE1 3.7Å; R13-F25 HydrophobicContact CG-CZ 4.02Å; L23-F25 HydrophobicContact CD2-CE2 4.09Å; L23-F25 HydrophobicContact CD2-CZ 4.24Å; L23-F25 HydrophobicContact CG-CE2 3.97Å; L23-F25 HydrophobicContact CG-CZ 4.28Å; F25-F93 HydrophobicContact CD1-CD2 4.36Å; F25-F93 AromaticContact CD1-CE2 3.74Å; F25-F93 HydrophobicContact CD1-CE2 3.74Å; F25-F93 HydrophobicContact CD1-CZ 4.24Å; F25-F93 HydrophobicContact CE1-CD2 4.49Å; F25-F93 AromaticContact CE1-CE2 3.52Å; F25-F93 HydrophobicContact CE1-CE2 3.52Å; F25-F93 AromaticContact CE1-CZ 3.59Å; F25-F93 HydrophobicContact CE1-CZ 3.59Å |
| 26 | K | 88.4 | Confident | 79 | Confident | 117 Ų | 117 | 69.8 Ų | 69.8 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.4 | 178.3 | -67.1 | -166 | 176.9 | -174.2 | 0 | 111 | K12 R28 | K12-K26 PolarHBondContact N-O 3.06Å; K12-K26 PolarHBondContact O-N 3.49Å; K26-R28 VanDerWaalsContact CD-NH2 3.35Å |
| 27 | E | 90.8 | Very high | 80.2 | Confident | 73 Ų | 73 | 68 Ų | 68 | 34% | 0.341 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 134.3 | 171.4 | -71.4 | -171.5 | 123.2 | 0 | 0 | 111.1 | I9 F10 I11 L44 | I9-E27 HydrophobicContact CG2-CB 4.32Å; F10-E27 CarbonylContact O-C 3.53Å; F10-E27 WeakPolarHBondContact O-CA 3.43Å; I11-E27 HydrophobicContact CG1-CG 3.78Å; E27-L44 WeakPolarHBondContact OE2-CD1 3.14Å |
| 28 | R | 92.9 | Very high | 81.6 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143.2 | -177.9 | -63 | -65.7 | 177.7 | -113.1 | 21.4 | 109.3 | I9 F10 K12 K26 F30 Y40 D41 | I9-R28 WeakPolarHBondContact CA-O 3.28Å; F10-R28 PolarHBondContact N-O 3.14Å; F10-R28 PolarHBondContact O-N 2.82Å; K12-R28 HydrophobicContact CB-CG 4.25Å; K26-R28 VanDerWaalsContact CD-NH2 3.35Å; R28-F30 HydrophobicContact CB-CD2 4.21Å; R28-F30 HydrophobicContact CB-CE2 3.81Å; R28-F30 WeakPolarHBondContact O-CD2 3.3Å; R28-F30 PolarHBondContact O-N 3.48Å; R28-Y40 WeakPolarHBondContact CA-O 3.24Å; R28-Y40 WeakPolarHBondContact CD-O 3.36Å; R28-D41 IonicContact CZ-OD1 3.72Å; R28-D41 IonicContact NE-OD1 2.64Å; R28-D41 PolarHBondContact NE-OD1 3.43Å; R28-D41 IonicContact NH1-OD1 3.72Å; R28-D41 PolarHBondContact NH1-OD1 3.13Å; R28-D41 IonicContact NH2-OD1 2.69Å; R28-D41 PolarHBondContact NH2-OD1 3.38Å |
| 29 | L | 92.9 | Very high | 83.4 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 117.3 | 170 | 178.9 | 69.2 | 0 | 0 | 0 | 108.4 | E7 I9 I31 Y39 Y40 Y42 K49 | E7-L29 HydrophobicContact CG-CD1 3.67Å; E7-L29 HydrophobicContact CG-CG 4.31Å; E7-L29 WeakPolarHBondContact OE1-CD2 3.27Å; I9-L29 HydrophobicContact CG1-CD1 3.96Å; L29-I31 HydrophobicContact CD2-CD1 4.37Å; L29-I31 HydrophobicContact CG-CG1 4.36Å; L29-Y39 CarbonylContact O-C 3.52Å; L29-Y39 VanDerWaalsContact O-CA 3.23Å; L29-Y39 WeakPolarHBondContact O-CA 3.39Å; L29-Y40 PolarHBondContact N-O 3.33Å; L29-Y40 VanDerWaalsContact N-O 3.14Å; L29-Y40 PolarHBondContact O-N 3.16Å; L29-Y42 HydrophobicContact CB-CD2 3.87Å; L29-Y42 HydrophobicContact CB-CG 4.17Å; L29-Y42 HydrophobicContact CD2-CD2 3.86Å; L29-Y42 HydrophobicContact CD2-CE2 4.18Å; L29-Y42 HydrophobicContact CG-CD2 4.31Å; L29-K49 HydrophobicContact CD2-CB 4.35Å; L29-K49 HydrophobicContact CD2-CG 4.41Å |
| 30 | F | 95.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.7 | 174.7 | -77.8 | -102.4 | 0 | 0 | 0 | 110.1 | E7 E8 F10 K12 R28 I37 A38 Y39 L90 I92 W103 | E7-F30 VanDerWaalsContact CA-O 3.29Å; E7-F30 WeakPolarHBondContact CA-O 3.27Å; E8-F30 PolarHBondContact N-O 3.41Å; E8-F30 PolarHBondContact O-N 2.92Å; F10-F30 HydrophobicContact CB-CD2 3.79Å; F10-F30 HydrophobicContact CB-CE2 3.87Å; F10-F30 HydrophobicContact CD2-CB 3.91Å; F10-F30 AromaticContact CD2-CD2 3.7Å; F10-F30 HydrophobicContact CD2-CD2 3.7Å; F10-F30 HydrophobicContact CD2-CE2 4.4Å; F10-F30 AromaticContact CD2-CG 3.88Å; F10-F30 HydrophobicContact CD2-CG 3.88Å; F10-F30 HydrophobicContact CE2-CB 4.35Å; F10-F30 HydrophobicContact CG-CD2 4.23Å; K12-F30 HydrophobicContact CB-CE2 4.25Å; K12-F30 HydrophobicContact CB-CZ 4.11Å; K12-F30 HydrophobicContact CD-CZ 4.36Å; K12-F30 HydrophobicContact CG-CZ 4.23Å; R28-F30 HydrophobicContact CB-CD2 4.21Å; R28-F30 HydrophobicContact CB-CE2 3.81Å; R28-F30 WeakPolarHBondContact O-CD2 3.3Å; R28-F30 PolarHBondContact O-N 3.48Å; F30-I37 HydrophobicContact CD1-CD1 3.87Å; F30-I37 HydrophobicContact CD1-CG1 4.09Å; F30-A38 CarbonylContact C-O 3.58Å; F30-A38 WeakPolarHBondContact CA-O 3.36Å; F30-Y39 HydrophobicContact CD1-CD1 4.32Å; F30-Y39 HydrophobicContact CD1-CG 4.42Å; F30-Y39 AromaticContact CE1-CD1 3.69Å; F30-Y39 HydrophobicContact CE1-CD1 3.69Å; F30-Y39 AromaticContact CE1-CG 3.9Å; F30-Y39 HydrophobicContact CE1-CG 3.9Å; F30-Y39 HydrophobicContact CZ-CD1 4.16Å; F30-Y39 HydrophobicContact CZ-CG 4.03Å; F30-L90 HydrophobicContact CE1-CD2 4.35Å; F30-I92 HydrophobicContact CD1-CD1 4.16Å; F30-I92 HydrophobicContact CE1-CD1 3.58Å; F30-I92 HydrophobicContact CE1-CG1 4.19Å; F30-I92 HydrophobicContact CE2-CG2 4.38Å; F30-I92 HydrophobicContact CZ-CD1 3.94Å; F30-I92 HydrophobicContact CZ-CG1 4.03Å; F30-I92 HydrophobicContact CZ-CG2 4.41Å; F30-W103 HydrophobicContact CB-CH2 3.82Å; F30-W103 HydrophobicContact CB-CZ3 4.21Å |
| 31 | I | 94.1 | Very high | 87.2 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.1 | 175.8 | -54.6 | -179 | 0 | 0 | 0 | 107.6 | N4 L6 E7 L29 T33 I37 A38 Y40 K49 | N4-I31 HydrophobicContact CB-CG2 4.17Å; L6-I31 WeakPolarHBondContact O-CA 3.44Å; E7-I31 HydrophobicContact CG-CG1 4.02Å; L29-I31 HydrophobicContact CD2-CD1 4.37Å; L29-I31 HydrophobicContact CG-CG1 4.36Å; I31-T33 HydrophobicContact CG2-CG2 4.39Å; I31-I37 WeakPolarHBondContact O-CA 3.45Å; I31-A38 PolarHBondContact N-O 2.81Å; I31-A38 PolarHBondContact O-N 2.65Å; I31-Y40 HydrophobicContact CB-CE2 4.41Å; I31-Y40 HydrophobicContact CD1-CD2 4.12Å; I31-Y40 HydrophobicContact CD1-CE2 3.74Å; I31-Y40 HydrophobicContact CG1-CD2 4.34Å; I31-Y40 HydrophobicContact CG1-CE2 4.1Å; I31-K49 HydrophobicContact CD1-CD 4.48Å |
| 32 | L | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.8 | 174.5 | 178.1 | 64.5 | 0 | 0 | 0 | 109.3 | L5 L6 I37 I58 W103 K106 L107 | L5-L32 WeakPolarHBondContact CA-O 3.36Å; L5-L32 HydrophobicContact CB-CD2 4.47Å; L5-L32 HydrophobicContact CB-CG 4.27Å; L5-L32 WeakPolarHBondContact CB-O 3.34Å; L5-L32 HydrophobicContact CD1-CG 4.48Å; L5-L32 PolarHBondContact N-O 3.18Å; L6-L32 HydrophobicContact CB-CB 4.17Å; L6-L32 HydrophobicContact CB-CD2 4.47Å; L6-L32 HydrophobicContact CD1-CD2 4.24Å; L6-L32 PolarHBondContact N-O 3.22Å; L6-L32 PolarHBondContact O-N 3.38Å; L32-I37 HydrophobicContact CD1-CB 4.01Å; L32-I58 HydrophobicContact CD1-CD1 3.7Å; L32-W103 HydrophobicContact CB-CH2 4.13Å; L32-W103 HydrophobicContact CB-CZ3 3.94Å; L32-K106 HydrophobicContact CD2-CB 4.32Å; L32-K106 HydrophobicContact CD2-CG 3.78Å; L32-L107 HydrophobicContact CD1-CD2 3.71Å; L32-L107 HydrophobicContact CD2-CD2 4.09Å; L32-L107 HydrophobicContact CD2-CG 4.27Å |
| 33 | T | 92.9 | Very high | 89.2 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 10% | 0.104 | 21% | 0.214 | C | C | . | . | trans | -119.9 | -179.7 | 171.8 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | I31 D35 K36 | I31-T33 HydrophobicContact CG2-CG2 4.39Å; T33-D35 VanDerWaalsContact C-N 3.28Å; T33-D35 VanDerWaalsContact CB-OD1 3.28Å; T33-D35 WeakPolarHBondContact CB-OD1 3.4Å; T33-D35 PolarHBondContact O-N 3.2Å; T33-D35 PolarHBondContact OG1-OD1 3.49Å; T33-K36 PolarHBondContact N-O 3.38Å; T33-K36 WeakPolarHBondContact OG1-CG 3.47Å; T33-K36 PolarHBondContact OG1-N 3.37Å; T33-K36 PolarHBondContact OG1-O 3.18Å | ||
| 34 | Q | 88.9 | Confident | 88.8 | Confident | 136 Ų | 136 | 47.3 Ų | 47.3 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -67.9 | -27.7 | 175.7 | -79.2 | 172.8 | -22.1 | 0 | 0 | 113.2 | L5 | L5-Q34 HydrophobicContact CD1-CG 3.91Å; L5-Q34 HydrophobicContact CD2-CG 4.36Å; L5-Q34 HydrophobicContact CG-CG 4.37Å |
| 35 | D | 90.8 | Very high | 88.2 | Confident | 87 Ų | 87 | 51.2 Ų | 51.2 | 47% | 0.465 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -98.1 | -28.3 | -176 | 64.1 | -44.5 | 0 | 0 | 0 | 113.7 | T33 I58 | T33-D35 VanDerWaalsContact C-N 3.28Å; T33-D35 VanDerWaalsContact CB-OD1 3.28Å; T33-D35 WeakPolarHBondContact CB-OD1 3.4Å; T33-D35 PolarHBondContact O-N 3.2Å; T33-D35 PolarHBondContact OG1-OD1 3.49Å; D35-I58 PolarHBondContact O-N 3.13Å |
| 36 | K | 93.4 | Very high | 87.3 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 166.9 | -176.2 | 63.4 | -167.2 | 168.2 | -112.8 | 0 | 114.3 | T33 T55 V56 | T33-K36 PolarHBondContact N-O 3.38Å; T33-K36 WeakPolarHBondContact OG1-CG 3.47Å; T33-K36 PolarHBondContact OG1-N 3.37Å; T33-K36 PolarHBondContact OG1-O 3.18Å; K36-T55 WeakPolarHBondContact CD-OG1 3.32Å; K36-V56 CarbonylContact C-O 3.58Å; K36-V56 VanDerWaalsContact CA-O 3.26Å; K36-V56 WeakPolarHBondContact CA-O 3.5Å; K36-V56 WeakPolarHBondContact CB-O 3.47Å |
| 37 | I | 94.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123 | 159.5 | -175.2 | 174.6 | 0 | 0 | 0 | 108.8 | F30 I31 L32 T55 V56 I61 I83 W103 L107 | F30-I37 HydrophobicContact CD1-CD1 3.87Å; F30-I37 HydrophobicContact CD1-CG1 4.09Å; I31-I37 WeakPolarHBondContact O-CA 3.45Å; L32-I37 HydrophobicContact CD1-CB 4.01Å; I37-T55 CarbonylContact O-C 3.6Å; I37-T55 WeakPolarHBondContact O-CA 3.32Å; I37-V56 HydrophobicContact CG2-CB 3.75Å; I37-V56 HydrophobicContact CG2-CG2 4.44Å; I37-V56 PolarHBondContact N-O 3.16Å; I37-V56 PolarHBondContact O-N 3.43Å; I37-I61 HydrophobicContact CG2-CD1 4.41Å; I37-I83 HydrophobicContact CD1-CD1 3.7Å; I37-I83 HydrophobicContact CG2-CD1 4.32Å; I37-W103 HydrophobicContact CD1-CZ3 3.83Å; I37-L107 HydrophobicContact CD1-CD2 4.32Å |
| 38 | A | 93.6 | Very high | 85.6 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F30 I31 Y40 L52 G54 | F30-A38 CarbonylContact C-O 3.58Å; F30-A38 WeakPolarHBondContact CA-O 3.36Å; I31-A38 PolarHBondContact N-O 2.81Å; I31-A38 PolarHBondContact O-N 2.65Å; A38-Y40 HydrophobicContact CB-CE2 3.79Å; A38-L52 HydrophobicContact CB-CD1 3.96Å; A38-G54 WeakPolarHBondContact CA-O 3.43Å |
| 39 | Y | 93.7 | Very high | 84.8 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.2 | 176.3 | 58.3 | -93.2 | 0 | 0 | 0 | 112.9 | K12 L29 F30 K53 G54 L90 | K12-Y39 HydrophobicContact CD-CD2 4.02Å; K12-Y39 HydrophobicContact CD-CE2 3.8Å; K12-Y39 VanDerWaalsContact CE-CZ 3.44Å; L29-Y39 CarbonylContact O-C 3.52Å; L29-Y39 VanDerWaalsContact O-CA 3.23Å; L29-Y39 WeakPolarHBondContact O-CA 3.39Å; F30-Y39 HydrophobicContact CD1-CD1 4.32Å; F30-Y39 HydrophobicContact CD1-CG 4.42Å; F30-Y39 AromaticContact CE1-CD1 3.69Å; F30-Y39 HydrophobicContact CE1-CD1 3.69Å; F30-Y39 AromaticContact CE1-CG 3.9Å; F30-Y39 HydrophobicContact CE1-CG 3.9Å; F30-Y39 HydrophobicContact CZ-CD1 4.16Å; F30-Y39 HydrophobicContact CZ-CG 4.03Å; Y39-K53 HydrophobicContact CD2-CB 3.69Å; Y39-K53 VanDerWaalsContact CE2-C 3.44Å; Y39-K53 HydrophobicContact CE2-CB 3.58Å; Y39-K53 PolarHBondContact O-N 2.91Å; Y39-G54 VanDerWaalsContact CZ-CA 3.44Å; Y39-G54 PolarHBondContact N-O 2.84Å; Y39-G54 PolarHBondContact O-N 2.79Å; Y39-L90 HydrophobicContact CE1-CD2 4.41Å |
| 40 | Y | 91.2 | Very high | 84.2 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 14% | 0.137 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.9 | -169.5 | -57.7 | -94.1 | 0 | 0 | 0 | 111.2 | R28 L29 I31 A38 Y42 K49 G51 L52 | R28-Y40 WeakPolarHBondContact CA-O 3.24Å; R28-Y40 WeakPolarHBondContact CD-O 3.36Å; L29-Y40 PolarHBondContact N-O 3.33Å; L29-Y40 VanDerWaalsContact N-O 3.14Å; L29-Y40 PolarHBondContact O-N 3.16Å; I31-Y40 HydrophobicContact CB-CE2 4.41Å; I31-Y40 HydrophobicContact CD1-CD2 4.12Å; I31-Y40 HydrophobicContact CD1-CE2 3.74Å; I31-Y40 HydrophobicContact CG1-CD2 4.34Å; I31-Y40 HydrophobicContact CG1-CE2 4.1Å; A38-Y40 HydrophobicContact CB-CE2 3.79Å; Y40-Y42 PolarHBondContact O-N 3.33Å; Y40-K49 HydrophobicContact CD1-CD 4.2Å; Y40-K49 HydrophobicContact CD1-CG 4.05Å; Y40-K49 HydrophobicContact CD2-CD 4.43Å; Y40-K49 HydrophobicContact CE1-CD 4.43Å; Y40-K49 VanDerWaalsContact CE2-CE 3.44Å; Y40-K49 HydrophobicContact CG-CD 4.21Å; Y40-K49 HydrophobicContact CG-CG 3.97Å; Y40-K49 PolarHBondContact OH-NZ 2.9Å; Y40-G51 WeakPolarHBondContact CA-O 3.28Å; Y40-L52 VanDerWaalsContact CD1-CA 3.45Å; Y40-L52 HydrophobicContact CD1-CB 3.91Å; Y40-L52 HydrophobicContact CD1-CD1 3.92Å; Y40-L52 HydrophobicContact CE1-CB 3.69Å; Y40-L52 HydrophobicContact CE1-CD1 3.38Å; Y40-L52 HydrophobicContact CE1-CG 4.1Å; Y40-L52 HydrophobicContact CE2-CD1 4.22Å |
| 41 | D | 86.4 | Confident | 83.7 | Confident | 36 Ų | 36 | 66.2 Ų | 66.2 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 133.1 | 161.1 | -80.3 | -1.9 | 0 | 0 | 0 | 108.7 | R28 K50 G51 K53 | R28-D41 IonicContact CZ-OD1 3.72Å; R28-D41 IonicContact NE-OD1 2.64Å; R28-D41 PolarHBondContact NE-OD1 3.43Å; R28-D41 IonicContact NH1-OD1 3.72Å; R28-D41 PolarHBondContact NH1-OD1 3.13Å; R28-D41 IonicContact NH2-OD1 2.69Å; R28-D41 PolarHBondContact NH2-OD1 3.38Å; D41-K50 HydrophobicContact CB-CB 3.92Å; D41-K50 PolarHBondContact O-N 2.7Å; D41-G51 PolarHBondContact N-O 2.79Å; D41-K53 WeakPolarHBondContact OD1-CE 3.11Å; D41-K53 VanDerWaalsContact OD1-CG 3.27Å; D41-K53 WeakPolarHBondContact OD1-CG 3.38Å; D41-K53 WeakPolarHBondContact OD2-CE 3.36Å; D41-K53 IonicContact OD2-NZ 2.86Å; D41-K53 PolarHBondContact OD2-NZ 2.81Å |
| 42 | Y | 79.7 | Confident | 83.5 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 29% | 0.29 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.3 | -179.7 | -168.5 | -103.5 | 0 | 0 | 0 | 109.5 | I9 L29 Y40 L44 | I9-Y42 HydrophobicContact CD1-CD1 3.59Å; I9-Y42 HydrophobicContact CD1-CE1 3.39Å; I9-Y42 HydrophobicContact CD1-CG 4.32Å; I9-Y42 HydrophobicContact CG1-CD1 4.31Å; I9-Y42 HydrophobicContact CG1-CE1 4.42Å; L29-Y42 HydrophobicContact CB-CD2 3.87Å; L29-Y42 HydrophobicContact CB-CG 4.17Å; L29-Y42 HydrophobicContact CD2-CD2 3.86Å; L29-Y42 HydrophobicContact CD2-CE2 4.18Å; L29-Y42 HydrophobicContact CG-CD2 4.31Å; Y40-Y42 PolarHBondContact O-N 3.33Å; Y42-L44 HydrophobicContact CD1-CD2 3.99Å; Y42-L44 HydrophobicContact CD1-CG 4.19Å; Y42-L44 HydrophobicContact CE1-CD2 3.92Å; Y42-L44 HydrophobicContact CE1-CG 4.44Å |
| 43 | D | 75.1 | Confident | 83.2 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 105.6 | 175.8 | -167.1 | -43.2 | 0 | 0 | 0 | 108.1 | D45 K46 G47 K48 K50 | D43-D45 VanDerWaalsContact C-N 3.3Å; D43-D45 PolarHBondContact O-N 2.81Å; D43-D45 PolarHBondContact OD1-N 2.88Å; D43-K46 HydrophobicContact CB-CB 4.36Å; D43-K46 PolarHBondContact O-N 3.34Å; D43-K46 PolarHBondContact OD1-N 2.87Å; D43-K46 VanDerWaalsContact OD1-N 3.13Å; D43-G47 WeakPolarHBondContact O-CA 3.21Å; D43-G47 PolarHBondContact O-N 3.43Å; D43-K48 PolarHBondContact N-O 3.22Å; D43-K48 PolarHBondContact O-N 3.07Å; D43-K50 HydrophobicContact CB-CD 4.38Å; D43-K50 WeakPolarHBondContact OD2-CE 3.2Å; D43-K50 IonicContact OD2-NZ 2.64Å; D43-K50 PolarHBondContact OD2-NZ 2.87Å |
| 44 | L | 66.6 | Low | 83 | Confident | 100 Ų | 100 | 75.8 Ų | 75.8 | 52% | 0.524 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -36.3 | -177.3 | -74.1 | 163.5 | 0 | 0 | 0 | 111.7 | I9 E27 Y42 | I9-L44 HydrophobicContact CD1-CD2 4.24Å; E27-L44 WeakPolarHBondContact OE2-CD1 3.14Å; Y42-L44 HydrophobicContact CD1-CD2 3.99Å; Y42-L44 HydrophobicContact CD1-CG 4.19Å; Y42-L44 HydrophobicContact CE1-CD2 3.92Å; Y42-L44 HydrophobicContact CE1-CG 4.44Å |
| 45 | D | 68.6 | Low | 83.2 | Confident | 159 Ų | 159 | 72.8 Ų | 72.8 | 85% | 0.85 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -31.8 | -176.1 | -58.1 | -38 | 0 | 0 | 0 | 111.9 | D43 | D43-D45 VanDerWaalsContact C-N 3.3Å; D43-D45 PolarHBondContact O-N 2.81Å; D43-D45 PolarHBondContact OD1-N 2.88Å |
| 46 | K | 69 | Low | 83.3 | Confident | 156 Ų | 156 | 68.8 Ų | 68.8 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -5.5 | -177.8 | -63.7 | -176.4 | -179.6 | 179.4 | 0 | 114.2 | D43 K48 | D43-K46 HydrophobicContact CB-CB 4.36Å; D43-K46 PolarHBondContact O-N 3.34Å; D43-K46 PolarHBondContact OD1-N 2.87Å; D43-K46 VanDerWaalsContact OD1-N 3.13Å; K46-K48 WeakPolarHBondContact O-CG 3.13Å; K46-K48 PolarHBondContact O-N 2.88Å |
| 47 | G | 69.3 | Low | 83.3 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D43 | D43-G47 WeakPolarHBondContact O-CA 3.21Å; D43-G47 PolarHBondContact O-N 3.43Å |
| 48 | K | 74.5 | Confident | 83.2 | Confident | 148 Ų | 148 | 66.1 Ų | 66.1 | 64% | 0.643 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.5 | -171.8 | -79.1 | -178.5 | -175.6 | -176.5 | 0 | 112.7 | D43 K46 | D43-K48 PolarHBondContact N-O 3.22Å; D43-K48 PolarHBondContact O-N 3.07Å; K46-K48 WeakPolarHBondContact O-CG 3.13Å; K46-K48 PolarHBondContact O-N 2.88Å |
| 49 | K | 76.4 | Confident | 83 | Confident | 100 Ų | 100 | 71 Ų | 71 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 124.2 | 167 | 179.6 | -178.3 | 178.6 | 175.2 | 0 | 110 | L29 I31 Y40 | L29-K49 HydrophobicContact CD2-CB 4.35Å; L29-K49 HydrophobicContact CD2-CG 4.41Å; I31-K49 HydrophobicContact CD1-CD 4.48Å; Y40-K49 HydrophobicContact CD1-CD 4.2Å; Y40-K49 HydrophobicContact CD1-CG 4.05Å; Y40-K49 HydrophobicContact CD2-CD 4.43Å; Y40-K49 HydrophobicContact CE1-CD 4.43Å; Y40-K49 VanDerWaalsContact CE2-CE 3.44Å; Y40-K49 HydrophobicContact CG-CD 4.21Å; Y40-K49 HydrophobicContact CG-CG 3.97Å; Y40-K49 PolarHBondContact OH-NZ 2.9Å |
| 50 | K | 81.3 | Confident | 82.9 | Confident | 121 Ų | 121 | 74.9 Ų | 74.9 | 53% | 0.526 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -134.2 | 175 | -68.9 | -179.3 | 171.5 | 160.9 | 0 | 110.3 | D41 D43 | D41-K50 HydrophobicContact CB-CB 3.92Å; D41-K50 PolarHBondContact O-N 2.7Å; D43-K50 HydrophobicContact CB-CD 4.38Å; D43-K50 WeakPolarHBondContact OD2-CE 3.2Å; D43-K50 IonicContact OD2-NZ 2.64Å; D43-K50 PolarHBondContact OD2-NZ 2.87Å |
| 51 | G | 83.9 | Confident | 83 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 147.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y40 D41 | Y40-G51 WeakPolarHBondContact CA-O 3.28Å; D41-G51 PolarHBondContact N-O 2.79Å |
| 52 | L | 89.1 | Confident | 83.1 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 129.8 | 170.6 | 179.8 | 67.1 | 0 | 0 | 0 | 110 | A38 Y40 G54 | A38-L52 HydrophobicContact CB-CD1 3.96Å; Y40-L52 VanDerWaalsContact CD1-CA 3.45Å; Y40-L52 HydrophobicContact CD1-CB 3.91Å; Y40-L52 HydrophobicContact CD1-CD1 3.92Å; Y40-L52 HydrophobicContact CE1-CB 3.69Å; Y40-L52 HydrophobicContact CE1-CD1 3.38Å; Y40-L52 HydrophobicContact CE1-CG 4.1Å; Y40-L52 HydrophobicContact CE2-CD1 4.22Å; L52-G54 WeakPolarHBondContact CD1-O 3.45Å |
| 53 | K | 88.4 | Confident | 83.6 | Confident | 112 Ų | 112 | 71.1 Ų | 71.1 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -20.5 | 178.6 | -69.2 | -57.8 | -175.9 | -175 | 0 | 114.2 | Y39 D41 | Y39-K53 HydrophobicContact CD2-CB 3.69Å; Y39-K53 VanDerWaalsContact CE2-C 3.44Å; Y39-K53 HydrophobicContact CE2-CB 3.58Å; Y39-K53 PolarHBondContact O-N 2.91Å; D41-K53 WeakPolarHBondContact OD1-CE 3.11Å; D41-K53 VanDerWaalsContact OD1-CG 3.27Å; D41-K53 WeakPolarHBondContact OD1-CG 3.38Å; D41-K53 WeakPolarHBondContact OD2-CE 3.36Å; D41-K53 IonicContact OD2-NZ 2.86Å; D41-K53 PolarHBondContact OD2-NZ 2.81Å |
| 54 | G | 89.1 | Confident | 84.4 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | 166.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A38 Y39 L52 | A38-G54 WeakPolarHBondContact CA-O 3.43Å; Y39-G54 VanDerWaalsContact CZ-CA 3.44Å; Y39-G54 PolarHBondContact N-O 2.84Å; Y39-G54 PolarHBondContact O-N 2.79Å; L52-G54 WeakPolarHBondContact CD1-O 3.45Å |
| 55 | T | 93.3 | Very high | 85.5 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 142.8 | -177.9 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | K36 I37 | K36-T55 WeakPolarHBondContact CD-OG1 3.32Å; I37-T55 CarbonylContact O-C 3.6Å; I37-T55 WeakPolarHBondContact O-CA 3.32Å |
| 56 | V | 93.3 | Very high | 86.6 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.4 | 173.4 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | K36 I37 I61 Y85 L90 | K36-V56 CarbonylContact C-O 3.58Å; K36-V56 VanDerWaalsContact CA-O 3.26Å; K36-V56 WeakPolarHBondContact CA-O 3.5Å; K36-V56 WeakPolarHBondContact CB-O 3.47Å; I37-V56 HydrophobicContact CG2-CB 3.75Å; I37-V56 HydrophobicContact CG2-CG2 4.44Å; I37-V56 PolarHBondContact N-O 3.16Å; I37-V56 PolarHBondContact O-N 3.43Å; V56-I61 HydrophobicContact CG1-CD1 4.43Å; V56-I61 HydrophobicContact CG1-CG1 3.81Å; V56-Y85 HydrophobicContact CG1-CD1 4.03Å; V56-Y85 HydrophobicContact CG1-CD2 3.94Å; V56-Y85 HydrophobicContact CG1-CG 3.67Å; V56-Y85 HydrophobicContact CG2-CD1 4.06Å; V56-Y85 HydrophobicContact CG2-CD2 4.33Å; V56-Y85 HydrophobicContact CG2-CE1 3.82Å; V56-Y85 HydrophobicContact CG2-CE2 4.1Å; V56-Y85 HydrophobicContact CG2-CG 4.32Å; V56-L90 HydrophobicContact CG2-CD2 4.41Å |
| 57 | G | 92.8 | Very high | 87.7 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 138.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | D59 K60 | G57-D59 VanDerWaalsContact C-OD1 3.32Å; G57-D59 WeakPolarHBondContact CA-OD1 3.13Å; G57-D59 PolarHBondContact O-N 2.78Å; G57-K60 PolarHBondContact O-N 2.99Å |
| 58 | I | 93.1 | Very high | 88.6 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -59.3 | -37.4 | -179.5 | -66.6 | -52.3 | 0 | 0 | 0 | 110.6 | L32 D35 K60 I61 V110 V111 N114 | L32-I58 HydrophobicContact CD1-CD1 3.7Å; D35-I58 PolarHBondContact O-N 3.13Å; I58-K60 PolarHBondContact O-N 3.21Å; I58-I61 HydrophobicContact CD1-CD1 3.78Å; I58-I61 PolarHBondContact O-N 3.43Å; I58-V110 HydrophobicContact CD1-CG2 3.9Å; I58-V110 HydrophobicContact CG1-CG2 4.37Å; I58-V110 HydrophobicContact CG2-CB 4.12Å; I58-V110 HydrophobicContact CG2-CG2 4.02Å; I58-V111 HydrophobicContact CG2-CG1 4Å; I58-N114 PolarHBondContact O-ND2 3.41Å |
| 59 | D | 89.3 | Confident | 89.2 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -58.1 | -30.2 | 175.9 | 62.7 | -54.7 | 0 | 0 | 0 | 113.6 | G57 | G57-D59 VanDerWaalsContact C-OD1 3.32Å; G57-D59 WeakPolarHBondContact CA-OD1 3.13Å; G57-D59 PolarHBondContact O-N 2.78Å |
| 60 | K | 90.9 | Very high | 89.4 | Confident | 104 Ų | 104 | 49.4 Ų | 49.4 | 45% | 0.452 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -87.6 | -8 | -178.2 | -57.6 | -171.3 | 178.6 | -175.1 | 0 | 113.9 | G57 I58 K62 Y85 | G57-K60 PolarHBondContact O-N 2.99Å; I58-K60 PolarHBondContact O-N 3.21Å; K60-K62 PolarHBondContact O-N 2.8Å; K60-Y85 WeakPolarHBondContact O-CA 3.5Å; K60-Y85 WeakPolarHBondContact O-CB 3.49Å |
| 61 | I | 92.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | trans | -75.7 | 118.9 | -179.2 | -61 | 175.2 | 0 | 0 | 0 | 109 | I37 V56 I58 V64 I83 V111 N114 | I37-I61 HydrophobicContact CG2-CD1 4.41Å; V56-I61 HydrophobicContact CG1-CD1 4.43Å; V56-I61 HydrophobicContact CG1-CG1 3.81Å; I58-I61 HydrophobicContact CD1-CD1 3.78Å; I58-I61 PolarHBondContact O-N 3.43Å; I61-V64 HydrophobicContact CG2-CG2 3.54Å; I61-I83 HydrophobicContact CB-CG2 4.41Å; I61-I83 HydrophobicContact CD1-CG2 3.86Å; I61-I83 HydrophobicContact CG1-CG2 3.82Å; I61-I83 HydrophobicContact CG2-CG2 3.77Å; I61-V111 HydrophobicContact CB-CG1 3.69Å; I61-V111 HydrophobicContact CD1-CG1 3.9Å; I61-V111 HydrophobicContact CG1-CG1 4.35Å; I61-V111 HydrophobicContact CG2-CG1 3.78Å; I61-N114 PolarHBondContact O-ND2 2.83Å | ||
| 62 | K | 89.6 | Confident | 88.7 | Confident | 61 Ų | 61 | 54 Ų | 54 | 27% | 0.265 | 31% | 0.305 | S | S | . | . | trans | -95.2 | -27.8 | -178.4 | -70.1 | 176.6 | 168.6 | 164.4 | 0 | 112.6 | K60 I84 D86 L117 M118 | K60-K62 PolarHBondContact O-N 2.8Å; K62-I84 PolarHBondContact N-O 3.21Å; K62-D86 WeakPolarHBondContact CE-OD1 3.43Å; K62-D86 IonicContact NZ-OD1 3.3Å; K62-D86 PolarHBondContact NZ-OD1 2.99Å; K62-L117 WeakPolarHBondContact O-CA 3.18Å; K62-M118 HydrophobicContact CB-CE 4.09Å; K62-M118 HydrophobicContact CB-CG 4.13Å; K62-M118 HydrophobicContact CB-SD 4.42Å; K62-M118 PolarHBondContact O-N 2.77Å | ||
| 63 | C | 89.8 | Confident | 88.2 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 146.1 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | I84 M118 Y121 L147 | C63-I84 HydrophobicContact CB-CB 4.1Å; C63-I84 HydrophobicContact CB-CD1 4.07Å; C63-I84 HydrophobicContact CB-CG1 4.29Å; C63-I84 PolarHBondContact N-O 2.9Å; C63-I84 PolarHBondContact O-N 2.77Å; C63-M118 HydrophobicContact CB-CB 4.43Å; C63-M118 HydrophobicContact CB-CE 3.37Å; C63-Y121 VanDerWaalsContact SG-CB 3.54Å; C63-L147 VanDerWaalsContact SG-CD1 3.5Å |
| 64 | V | 92 | Very high | 88 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.4 | 170.9 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | I61 Q82 L104 L107 K108 V111 | I61-V64 HydrophobicContact CG2-CG2 3.54Å; V64-Q82 WeakPolarHBondContact CA-O 3.32Å; V64-L104 HydrophobicContact CG1-CD2 3.49Å; V64-L104 VanDerWaalsContact CG1-CD2 3.49Å; V64-L107 HydrophobicContact CG1-CB 3.86Å; V64-L107 HydrophobicContact CG1-CD1 4.13Å; V64-L107 HydrophobicContact CG2-CB 4.19Å; V64-K108 HydrophobicContact CB-CG 4.32Å; V64-K108 WeakPolarHBondContact O-CE 3.43Å; V64-V111 HydrophobicContact CG2-CG2 4.47Å |
| 65 | G | 89.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 160.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F81 Q82 | G65-F81 WeakPolarHBondContact O-CA 3.29Å; G65-F81 WeakPolarHBondContact O-CB 3.43Å; G65-Q82 PolarHBondContact N-O 3.35Å; G65-Q82 VanDerWaalsContact N-O 3.12Å; G65-Q82 PolarHBondContact O-N 2.85Å |
| 66 | T | 90.9 | Very high | 87 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 36% | 0.362 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 151.1 | 168.7 | 45.6 | 0 | 0 | 0 | 0 | 110 | L104 | T66-L104 HydrophobicContact CG2-CD1 3.48Å; T66-L104 VanDerWaalsContact CG2-CD1 3.48Å |
| 67 | V | 91.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | trans | -116.4 | 144.8 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | P80 Q82 Y91 P123 F125 | V67-P80 HydrophobicContact CB-CB 4.08Å; V67-P80 HydrophobicContact CB-CG 4.13Å; V67-P80 PolarHBondContact N-O 3.35Å; V67-P80 WeakPolarHBondContact O-CG 3.19Å; V67-Q82 HydrophobicContact CG2-CB 3.68Å; V67-Q82 HydrophobicContact CG2-CG 3.73Å; V67-Y91 HydrophobicContact CG1-CE1 4.47Å; V67-Y91 HydrophobicContact CG2-CD1 4.02Å; V67-Y91 HydrophobicContact CG2-CE1 4.1Å; V67-P123 CarbonylContact C-O 3.58Å; V67-P123 WeakPolarHBondContact CA-O 3.31Å; V67-F125 HydrophobicContact CB-CZ 4.44Å; V67-F125 HydrophobicContact CG1-CD1 3.95Å; V67-F125 HydrophobicContact CG1-CD2 4.01Å; V67-F125 HydrophobicContact CG1-CE1 3.76Å; V67-F125 HydrophobicContact CG1-CE2 3.79Å; V67-F125 HydrophobicContact CG1-CG 4.08Å; V67-F125 HydrophobicContact CG1-CZ 3.68Å | ||
| 68 | Q | 89.3 | Confident | 86.6 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 128.4 | 173.3 | -70 | -176.2 | -19.9 | 0 | 0 | 108.7 | P123 C124 F125 | Q68-P123 PolarHBondContact N-O 2.98Å; Q68-C124 PolarHBondContact OE1-SG 3.06Å; Q68-F125 VanDerWaalsContact O-CE2 3.28Å; Q68-F125 WeakPolarHBondContact O-CE2 3.16Å |
| 69 | P | 86.6 | Confident | 86.6 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 151.7 | 177 | 27.4 | -32.8 | 0 | 0 | 0 | 110.9 | P80 | P69-P80 HydrophobicContact CB-CG 4.36Š|
| 70 | E | 81.6 | Confident | 86.8 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 141.1 | 174.5 | -58.5 | 170.7 | 133.6 | 0 | 0 | 108.9 | R13 S72 A73 R77 F125 M127 | R13-E70 IonicContact NH1-OE1 2.64Å; E70-S72 PolarHBondContact O-N 2.83Å; E70-A73 HydrophobicContact CB-CB 4.19Å; E70-A73 WeakPolarHBondContact O-CB 3.25Å; E70-A73 PolarHBondContact O-N 3.05Å; E70-R77 IonicContact OE2-NH1 3.68Å; E70-R77 PolarHBondContact OE2-NH1 2.9Å; E70-R77 VanDerWaalsContact OE2-NH1 3.1Å; E70-F125 HydrophobicContact CG-CD2 3.88Å; E70-F125 HydrophobicContact CG-CE2 3.69Å; E70-M127 VanDerWaalsContact OE1-CE 3.27Å; E70-M127 WeakPolarHBondContact OE1-CE 3.41Å |
| 71 | P | 74.3 | Confident | 87 | Confident | 146 Ų | 146 | 52.7 Ų | 52.7 | 95% | 0.948 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.6 | -175.9 | -27.4 | 34.7 | 0 | 0 | 0 | 115 | ||
| 72 | S | 76.1 | Confident | 87.1 | Confident | 111 Ų | 111 | 52.6 Ų | 52.6 | 78% | 0.776 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 27.2 | 179.8 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | E70 | E70-S72 PolarHBondContact O-N 2.83Š|
| 73 | A | 78.8 | Confident | 87.3 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | trans | -67 | 135.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E70 R77 | E70-A73 HydrophobicContact CB-CB 4.19Å; E70-A73 WeakPolarHBondContact O-CB 3.25Å; E70-A73 PolarHBondContact O-N 3.05Å; A73-R77 HydrophobicContact CB-CB 4.19Å | ||
| 74 | P | 83.3 | Confident | 87.3 | Confident | 58 Ų | 58 | 50 Ų | 50 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | trans | -54.9 | 156.4 | 167.3 | -22.6 | 31.9 | 0 | 0 | 0 | 112 | E76 R77 | P74-E76 PolarHBondContact O-N 3.03Å; P74-E76 VanDerWaalsContact O-N 3.09Å; P74-R77 VanDerWaalsContact CD-CZ 3.49Å; P74-R77 PolarHBondContact O-N 3.19Å | ||
| 75 | A | 79.8 | Confident | 87.2 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -50.4 | -39.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R77 Q78 | A75-R77 PolarHBondContact O-N 2.88Å; A75-Q78 PolarHBondContact O-N 3.37Å |
| 76 | E | 82.6 | Confident | 86.7 | Confident | 136 Ų | 136 | 54.1 Ų | 54.1 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -67.6 | -12.7 | 179.4 | -59.8 | 167 | -150 | 0 | 0 | 114.2 | I11 P74 | I11-E76 HydrophobicContact CD1-CB 3.92Å; P74-E76 PolarHBondContact O-N 3.03Å; P74-E76 VanDerWaalsContact O-N 3.09Å |
| 77 | R | 88.2 | Confident | 86.1 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -115 | 12.8 | -177.8 | -68.6 | -167 | -78 | 148.2 | -8.6 | 113.6 | E70 A73 P74 A75 Y79 F93 | E70-R77 IonicContact OE2-NH1 3.68Å; E70-R77 PolarHBondContact OE2-NH1 2.9Å; E70-R77 VanDerWaalsContact OE2-NH1 3.1Å; A73-R77 HydrophobicContact CB-CB 4.19Å; P74-R77 VanDerWaalsContact CD-CZ 3.49Å; P74-R77 PolarHBondContact O-N 3.19Å; A75-R77 PolarHBondContact O-N 2.88Å; R77-Y79 VanDerWaalsContact C-N 3.34Å; R77-Y79 PolarHBondContact O-N 3.25Å; R77-F93 HydrophobicContact CB-CD1 3.7Å; R77-F93 HydrophobicContact CB-CE1 3.93Å; R77-F93 HydrophobicContact CB-CG 4.43Å; R77-F93 HydrophobicContact CG-CD1 3.95Å; R77-F93 HydrophobicContact CG-CE1 4.19Å; R77-F93 HydrophobicContact CG-CG 4.24Å; R77-F93 WeakPolarHBondContact O-CD1 3.3Å |
| 78 | Q | 88.7 | Confident | 85.8 | Confident | 93 Ų | 93 | 56 Ų | 56 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -74.9 | -19.2 | -177.3 | -71 | -165.9 | 4.1 | 0 | 0 | 114.7 | A75 P80 | A75-Q78 PolarHBondContact O-N 3.37Å; Q78-P80 WeakPolarHBondContact O-CD 3.44Å |
| 79 | Y | 92.1 | Very high | 85.8 | Confident | 71 Ų | 71 | 51.7 Ų | 51.7 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 64.9 | -176.2 | -50 | -69.1 | 0 | 0 | 0 | 113 | R77 A94 D97 | R77-Y79 VanDerWaalsContact C-N 3.34Å; R77-Y79 PolarHBondContact O-N 3.25Å; Y79-A94 PolarHBondContact O-N 3.04Å; Y79-D97 HydrophobicContact CD1-CB 3.71Å; Y79-D97 HydrophobicContact CE1-CB 3.63Å; Y79-D97 HydrophobicContact CG-CB 4.48Å |
| 80 | P | 94.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 148.7 | 177.4 | 31.3 | -32.2 | 0 | 0 | 0 | 112.6 | V67 P69 Q78 I92 F93 R100 F125 | V67-P80 HydrophobicContact CB-CB 4.08Å; V67-P80 HydrophobicContact CB-CG 4.13Å; V67-P80 PolarHBondContact N-O 3.35Å; V67-P80 WeakPolarHBondContact O-CG 3.19Å; P69-P80 HydrophobicContact CB-CG 4.36Å; Q78-P80 WeakPolarHBondContact O-CD 3.44Å; P80-I92 CarbonylContact C-O 3.54Å; P80-I92 VanDerWaalsContact CA-O 3.32Å; P80-I92 WeakPolarHBondContact CA-O 3.37Å; P80-F93 HydrophobicContact CB-CD1 3.63Å; P80-F93 HydrophobicContact CB-CE1 3.64Å; P80-F93 HydrophobicContact CB-CG 4.43Å; P80-F93 HydrophobicContact CB-CZ 4.42Å; P80-F93 HydrophobicContact CG-CD1 4.39Å; P80-F93 HydrophobicContact CG-CE1 4.33Å; P80-R100 WeakPolarHBondContact O-CD 3.46Å; P80-R100 PolarHBondContact O-NH1 2.8Å; P80-F125 HydrophobicContact CB-CE1 4.46Å; P80-F125 HydrophobicContact CB-CZ 3.88Å; P80-F125 HydrophobicContact CG-CZ 4.04Å |
| 81 | F | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 166.3 | 164.8 | 68 | -81.2 | 0 | 0 | 0 | 109.8 | F10 G65 I92 R100 W103 L104 L107 | F10-F81 HydrophobicContact CE1-CE1 4.45Å; F10-F81 HydrophobicContact CE2-CZ 4.24Å; F10-F81 HydrophobicContact CZ-CE1 4.41Å; F10-F81 HydrophobicContact CZ-CZ 4.37Å; G65-F81 WeakPolarHBondContact O-CA 3.29Å; G65-F81 WeakPolarHBondContact O-CB 3.43Å; F81-I92 HydrophobicContact CD1-CB 4.18Å; F81-I92 HydrophobicContact CD1-CG2 4.42Å; F81-I92 WeakPolarHBondContact CD1-O 3.43Å; F81-I92 HydrophobicContact CD2-CB 4.43Å; F81-I92 HydrophobicContact CE1-CB 3.7Å; F81-I92 HydrophobicContact CE1-CG2 3.52Å; F81-I92 HydrophobicContact CE2-CB 3.98Å; F81-I92 HydrophobicContact CE2-CD1 3.81Å; F81-I92 HydrophobicContact CE2-CG1 4.39Å; F81-I92 HydrophobicContact CE2-CG2 4.31Å; F81-I92 HydrophobicContact CZ-CB 3.6Å; F81-I92 HydrophobicContact CZ-CD1 3.92Å; F81-I92 HydrophobicContact CZ-CG1 4.34Å; F81-I92 HydrophobicContact CZ-CG2 3.46Å; F81-I92 VanDerWaalsContact CZ-CG2 3.46Å; F81-I92 PolarHBondContact N-O 3.45Å; F81-I92 PolarHBondContact O-N 3.49Å; F81-I92 VanDerWaalsContact O-O 3.13Å; F81-R100 HydrophobicContact CB-CG 4.26Å; F81-R100 HydrophobicContact CD1-CG 4.01Å; F81-R100 HydrophobicContact CG-CG 4.44Å; F81-W103 HydrophobicContact CZ-CB 4.45Å; F81-L104 HydrophobicContact CB-CD1 4.3Å; F81-L104 HydrophobicContact CB-CD2 3.88Å; F81-L104 HydrophobicContact CB-CG 4.2Å; F81-L104 HydrophobicContact CD2-CD2 4.06Å; F81-L104 HydrophobicContact CG-CD2 4.24Å; F81-L104 HydrophobicContact CG-CG 4.44Å; F81-L107 HydrophobicContact CE2-CD1 4.01Å |
| 82 | Q | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.7 | -178.6 | 66 | -175 | -41.8 | 0 | 0 | 112.4 | V64 G65 V67 I84 L90 Y91 H122 | V64-Q82 WeakPolarHBondContact CA-O 3.32Å; G65-Q82 PolarHBondContact N-O 3.35Å; G65-Q82 VanDerWaalsContact N-O 3.12Å; G65-Q82 PolarHBondContact O-N 2.85Å; V67-Q82 HydrophobicContact CG2-CB 3.68Å; V67-Q82 HydrophobicContact CG2-CG 3.73Å; Q82-I84 HydrophobicContact CG-CG1 4.34Å; Q82-L90 VanDerWaalsContact CA-O 3.27Å; Q82-L90 WeakPolarHBondContact CA-O 3.47Å; Q82-Y91 HydrophobicContact CB-CD1 3.94Å; Q82-Y91 HydrophobicContact CB-CE1 4.14Å; Q82-H122 PolarHBondContact NE2-O 3.46Å |
| 83 | I | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.1 | 166.3 | -56.9 | 175.9 | 0 | 0 | 0 | 106.6 | I37 I61 L90 I92 L107 | I37-I83 HydrophobicContact CD1-CD1 3.7Å; I37-I83 HydrophobicContact CG2-CD1 4.32Å; I61-I83 HydrophobicContact CB-CG2 4.41Å; I61-I83 HydrophobicContact CD1-CG2 3.86Å; I61-I83 HydrophobicContact CG1-CG2 3.82Å; I61-I83 HydrophobicContact CG2-CG2 3.77Å; I83-L90 HydrophobicContact CB-CB 4.38Å; I83-L90 PolarHBondContact N-O 2.89Å; I83-L90 WeakPolarHBondContact O-CB 3.22Å; I83-L90 PolarHBondContact O-N 2.62Å; I83-I92 HydrophobicContact CD1-CD1 3.87Å; I83-I92 HydrophobicContact CG1-CD1 4.38Å; I83-L107 HydrophobicContact CD1-CD1 3.78Å; I83-L107 HydrophobicContact CD1-CD2 4.26Å; I83-L107 HydrophobicContact CG1-CD1 4.2Å |
| 84 | I | 89.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.046 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.8 | 176.8 | -51 | 176.5 | 0 | 0 | 0 | 108.2 | K62 C63 Q82 P89 M118 | K62-I84 PolarHBondContact N-O 3.21Å; C63-I84 HydrophobicContact CB-CB 4.1Å; C63-I84 HydrophobicContact CB-CD1 4.07Å; C63-I84 HydrophobicContact CB-CG1 4.29Å; C63-I84 PolarHBondContact N-O 2.9Å; C63-I84 PolarHBondContact O-N 2.77Å; Q82-I84 HydrophobicContact CG-CG1 4.34Å; I84-P89 HydrophobicContact CG1-CB 4.43Å; I84-M118 HydrophobicContact CB-CE 3.82Å; I84-M118 HydrophobicContact CD1-CE 3.69Å; I84-M118 HydrophobicContact CG1-CE 4.34Å; I84-M118 HydrophobicContact CG2-CE 3.62Å |
| 85 | Y | 89.7 | Confident | 89.6 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | -172.9 | 176.1 | 70.3 | -76 | 0 | 0 | 0 | 109 | Q15 V56 K60 E87 G88 L90 | Q15-Y85 PolarHBondContact NE2-OH 2.92Å; V56-Y85 HydrophobicContact CG1-CD1 4.03Å; V56-Y85 HydrophobicContact CG1-CD2 3.94Å; V56-Y85 HydrophobicContact CG1-CG 3.67Å; V56-Y85 HydrophobicContact CG2-CD1 4.06Å; V56-Y85 HydrophobicContact CG2-CD2 4.33Å; V56-Y85 HydrophobicContact CG2-CE1 3.82Å; V56-Y85 HydrophobicContact CG2-CE2 4.1Å; V56-Y85 HydrophobicContact CG2-CG 4.32Å; K60-Y85 WeakPolarHBondContact O-CA 3.5Å; K60-Y85 WeakPolarHBondContact O-CB 3.49Å; Y85-E87 HydrophobicContact CD2-CB 4.27Å; Y85-E87 HydrophobicContact CD2-CG 4.32Å; Y85-E87 HydrophobicContact CE2-CB 3.51Å; Y85-E87 HydrophobicContact CE2-CG 3.54Å; Y85-E87 PolarHBondContact O-N 3.27Å; Y85-E87 PolarHBondContact OH-OE2 2.89Å; Y85-G88 WeakPolarHBondContact CD1-O 3.42Å; Y85-G88 PolarHBondContact O-N 2.86Å; Y85-L90 HydrophobicContact CE1-CB 4.1Å |
| 86 | D | 79.6 | Confident | 90.2 | Very high | 83 Ų | 83 | 35 Ų | 35 | 44% | 0.444 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32.7 | -172.2 | -59.9 | -37.2 | 0 | 0 | 0 | 115.3 | K62 G88 Q140 | K62-D86 WeakPolarHBondContact CE-OD1 3.43Å; K62-D86 IonicContact NZ-OD1 3.3Å; K62-D86 PolarHBondContact NZ-OD1 2.99Å; D86-G88 VanDerWaalsContact C-N 3.34Å; D86-Q140 PolarHBondContact O-NE2 2.67Å |
| 87 | E | 78.8 | Confident | 90.6 | Very high | 103 Ų | 103 | 29.9 Ų | 29.9 | 48% | 0.481 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.4 | 179.4 | -55 | -173.7 | 144.7 | 0 | 0 | 114.2 | K17 Y85 | K17-E87 WeakPolarHBondContact CE-OE2 3.23Å; K17-E87 IonicContact NZ-OE1 2.83Å; K17-E87 PolarHBondContact NZ-OE1 3.37Å; K17-E87 VanDerWaalsContact NZ-OE1 3.14Å; K17-E87 IonicContact NZ-OE2 2.8Å; K17-E87 PolarHBondContact NZ-OE2 3.36Å; Y85-E87 HydrophobicContact CD2-CB 4.27Å; Y85-E87 HydrophobicContact CD2-CG 4.32Å; Y85-E87 HydrophobicContact CE2-CB 3.51Å; Y85-E87 HydrophobicContact CE2-CG 3.54Å; Y85-E87 PolarHBondContact O-N 3.27Å; Y85-E87 PolarHBondContact OH-OE2 2.89Å |
| 88 | G | 84 | Confident | 90.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.1 | -168.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y85 D86 L90 Q140 | Y85-G88 WeakPolarHBondContact CD1-O 3.42Å; Y85-G88 PolarHBondContact O-N 2.86Å; D86-G88 VanDerWaalsContact C-N 3.34Å; G88-L90 PolarHBondContact O-N 3.12Å; G88-Q140 VanDerWaalsContact CA-NE2 3.33Å |
| 89 | P | 90.1 | Very high | 91 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126 | -174.5 | 28.6 | -35.3 | 0 | 0 | 0 | 111.9 | I84 Y91 W131 | I84-P89 HydrophobicContact CG1-CB 4.43Å; P89-Y91 HydrophobicContact CB-CE1 4Å; P89-Y91 HydrophobicContact CB-CE2 3.93Å; P89-Y91 HydrophobicContact CG-CE2 3.83Å; P89-Y91 WeakPolarHBondContact CG-OH 3.4Å; P89-W131 HydrophobicContact CB-CH2 4.27Å; P89-W131 HydrophobicContact CG-CH2 3.9Å; P89-W131 HydrophobicContact CG-CZ2 4.49Å |
| 90 | L | 93 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 108 | 164.6 | 173.8 | 61.1 | 0 | 0 | 0 | 108.9 | K12 Q15 F30 Y39 V56 Q82 I83 Y85 G88 I92 | K12-L90 HydrophobicContact CD-CD1 4.09Å; K12-L90 VanDerWaalsContact CE-CD1 3.43Å; K12-L90 HydrophobicContact CG-CD1 3.89Å; Q15-L90 HydrophobicContact CG-CD1 4.33Å; F30-L90 HydrophobicContact CE1-CD2 4.35Å; Y39-L90 HydrophobicContact CE1-CD2 4.41Å; V56-L90 HydrophobicContact CG2-CD2 4.41Å; Q82-L90 VanDerWaalsContact CA-O 3.27Å; Q82-L90 WeakPolarHBondContact CA-O 3.47Å; I83-L90 HydrophobicContact CB-CB 4.38Å; I83-L90 PolarHBondContact N-O 2.89Å; I83-L90 WeakPolarHBondContact O-CB 3.22Å; I83-L90 PolarHBondContact O-N 2.62Å; Y85-L90 HydrophobicContact CE1-CB 4.1Å; G88-L90 PolarHBondContact O-N 3.12Å; L90-I92 HydrophobicContact CD2-CD1 4.1Å; L90-I92 HydrophobicContact CD2-CG1 4.49Å; L90-I92 HydrophobicContact CG-CD1 4.14Å; L90-I92 HydrophobicContact CG-CG1 4.01Å |
| 91 | Y | 94.7 | Very high | 91 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.1 | 176.5 | -56.3 | -70.5 | 0 | 0 | 0 | 111.6 | R13 V67 Q82 P89 F125 W126 W131 | R13-Y91 HydrophobicContact CB-CD2 4.39Å; R13-Y91 PolarHBondContact N-O 2.68Å; V67-Y91 HydrophobicContact CG1-CE1 4.47Å; V67-Y91 HydrophobicContact CG2-CD1 4.02Å; V67-Y91 HydrophobicContact CG2-CE1 4.1Å; Q82-Y91 HydrophobicContact CB-CD1 3.94Å; Q82-Y91 HydrophobicContact CB-CE1 4.14Å; P89-Y91 HydrophobicContact CB-CE1 4Å; P89-Y91 HydrophobicContact CB-CE2 3.93Å; P89-Y91 HydrophobicContact CG-CE2 3.83Å; P89-Y91 WeakPolarHBondContact CG-OH 3.4Å; Y91-F125 AromaticContact CD1-CD1 3.61Å; Y91-F125 HydrophobicContact CD1-CD1 3.61Å; Y91-F125 AromaticContact CD1-CE1 3.66Å; Y91-F125 HydrophobicContact CD1-CE1 3.66Å; Y91-F125 HydrophobicContact CD2-CD1 4.09Å; Y91-F125 HydrophobicContact CD2-CE1 4.49Å; Y91-F125 AromaticContact CE1-CD1 3.64Å; Y91-F125 HydrophobicContact CE1-CD1 3.64Å; Y91-F125 HydrophobicContact CE1-CE1 4.14Å; Y91-F125 HydrophobicContact CE2-CD1 4.11Å; Y91-F125 AromaticContact CG-CD1 3.84Å; Y91-F125 HydrophobicContact CG-CD1 3.84Å; Y91-F125 AromaticContact CG-CE1 3.86Å; Y91-F125 HydrophobicContact CG-CE1 3.86Å; Y91-F125 AromaticContact CZ-CD1 3.89Å; Y91-W126 PolarHBondContact OH-N 3.48Å; Y91-W131 VanDerWaalsContact OH-CZ3 3.24Å; Y91-W131 WeakPolarHBondContact OH-CZ3 3.38Å |
| 92 | I | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.6 | -176.5 | -53.2 | 175.1 | 0 | 0 | 0 | 108.1 | F10 I11 F30 P80 F81 I83 L90 | F10-I92 HydrophobicContact CB-CG2 3.35Å; F10-I92 HydrophobicContact CD1-CG2 4.19Å; F10-I92 HydrophobicContact CD2-CG2 3.65Å; F10-I92 HydrophobicContact CE2-CG2 4.47Å; F10-I92 HydrophobicContact CG-CG2 3.48Å; F10-I92 VanDerWaalsContact CG-CG2 3.48Å; I11-I92 WeakPolarHBondContact O-CA 3.41Å; F30-I92 HydrophobicContact CD1-CD1 4.16Å; F30-I92 HydrophobicContact CE1-CD1 3.58Å; F30-I92 HydrophobicContact CE1-CG1 4.19Å; F30-I92 HydrophobicContact CE2-CG2 4.38Å; F30-I92 HydrophobicContact CZ-CD1 3.94Å; F30-I92 HydrophobicContact CZ-CG1 4.03Å; F30-I92 HydrophobicContact CZ-CG2 4.41Å; P80-I92 CarbonylContact C-O 3.54Å; P80-I92 VanDerWaalsContact CA-O 3.32Å; P80-I92 WeakPolarHBondContact CA-O 3.37Å; F81-I92 HydrophobicContact CD1-CB 4.18Å; F81-I92 HydrophobicContact CD1-CG2 4.42Å; F81-I92 WeakPolarHBondContact CD1-O 3.43Å; F81-I92 HydrophobicContact CD2-CB 4.43Å; F81-I92 HydrophobicContact CE1-CB 3.7Å; F81-I92 HydrophobicContact CE1-CG2 3.52Å; F81-I92 HydrophobicContact CE2-CB 3.98Å; F81-I92 HydrophobicContact CE2-CD1 3.81Å; F81-I92 HydrophobicContact CE2-CG1 4.39Å; F81-I92 HydrophobicContact CE2-CG2 4.31Å; F81-I92 HydrophobicContact CZ-CB 3.6Å; F81-I92 HydrophobicContact CZ-CD1 3.92Å; F81-I92 HydrophobicContact CZ-CG1 4.34Å; F81-I92 HydrophobicContact CZ-CG2 3.46Å; F81-I92 VanDerWaalsContact CZ-CG2 3.46Å; F81-I92 PolarHBondContact N-O 3.45Å; F81-I92 PolarHBondContact O-N 3.49Å; F81-I92 VanDerWaalsContact O-O 3.13Å; I83-I92 HydrophobicContact CD1-CD1 3.87Å; I83-I92 HydrophobicContact CG1-CD1 4.38Å; L90-I92 HydrophobicContact CD2-CD1 4.1Å; L90-I92 HydrophobicContact CD2-CG1 4.49Å; L90-I92 HydrophobicContact CG-CD1 4.14Å; L90-I92 HydrophobicContact CG-CG1 4.01Å |
| 93 | F | 94.9 | Very high | 91 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.5 | 178.5 | -52.7 | -102.8 | 0 | 0 | 0 | 110 | F10 I11 R13 F25 R77 P80 F125 | F10-F93 WeakPolarHBondContact CD1-O 3.27Å; I11-F93 HydrophobicContact CB-CB 4.17Å; I11-F93 HydrophobicContact CB-CD2 4.3Å; I11-F93 HydrophobicContact CG2-CD2 4.12Å; I11-F93 PolarHBondContact N-O 2.79Å; I11-F93 WeakPolarHBondContact O-CD2 3.47Å; I11-F93 PolarHBondContact O-N 3.4Å; R13-F93 HydrophobicContact CB-CE2 4.03Å; F25-F93 HydrophobicContact CD1-CD2 4.36Å; F25-F93 AromaticContact CD1-CE2 3.74Å; F25-F93 HydrophobicContact CD1-CE2 3.74Å; F25-F93 HydrophobicContact CD1-CZ 4.24Å; F25-F93 HydrophobicContact CE1-CD2 4.49Å; F25-F93 AromaticContact CE1-CE2 3.52Å; F25-F93 HydrophobicContact CE1-CE2 3.52Å; F25-F93 AromaticContact CE1-CZ 3.59Å; F25-F93 HydrophobicContact CE1-CZ 3.59Å; R77-F93 HydrophobicContact CB-CD1 3.7Å; R77-F93 HydrophobicContact CB-CE1 3.93Å; R77-F93 HydrophobicContact CB-CG 4.43Å; R77-F93 HydrophobicContact CG-CD1 3.95Å; R77-F93 HydrophobicContact CG-CE1 4.19Å; R77-F93 HydrophobicContact CG-CG 4.24Å; R77-F93 WeakPolarHBondContact O-CD1 3.3Å; P80-F93 HydrophobicContact CB-CD1 3.63Å; P80-F93 HydrophobicContact CB-CE1 3.64Å; P80-F93 HydrophobicContact CB-CG 4.43Å; P80-F93 HydrophobicContact CB-CZ 4.42Å; P80-F93 HydrophobicContact CG-CD1 4.39Å; P80-F93 HydrophobicContact CG-CE1 4.33Å; F93-F125 HydrophobicContact CE1-CE1 4.37Å; F93-F125 AromaticContact CE1-CZ 3.89Å; F93-F125 HydrophobicContact CE1-CZ 3.89Å; F93-F125 AromaticContact CZ-CE1 3.97Å; F93-F125 HydrophobicContact CZ-CE1 3.97Å; F93-F125 AromaticContact CZ-CZ 3.93Å; F93-F125 HydrophobicContact CZ-CZ 3.93Å |
| 94 | A | 93.7 | Very high | 91 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 153.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F10 Y79 S96 V99 R100 | F10-A94 HydrophobicContact CD1-CB 4.17Å; F10-A94 HydrophobicContact CE1-CB 3.75Å; Y79-A94 PolarHBondContact O-N 3.04Å; A94-S96 VanDerWaalsContact C-N 3.33Å; A94-S96 WeakPolarHBondContact CB-O 3.47Å; A94-V99 HydrophobicContact CB-CB 4.42Å; A94-V99 HydrophobicContact CB-CG1 4.39Å; A94-R100 HydrophobicContact CB-CB 3.78Å |
| 95 | K | 89.3 | Confident | 91.1 | Very high | 129 Ų | 129 | 46.5 Ų | 46.5 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -70.6 | -28.6 | 176.3 | -65.1 | -176.5 | 178.9 | -179 | 0 | 112.9 | ||
| 96 | S | 91.2 | Very high | 91.2 | Very high | 30 Ų | 30 | 49 Ų | 49 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -143.6 | 162.7 | 176.2 | 90.1 | 0 | 0 | 0 | 0 | 111.8 | A94 E98 V99 R100 | A94-S96 VanDerWaalsContact C-N 3.33Å; A94-S96 WeakPolarHBondContact CB-O 3.47Å; S96-E98 VanDerWaalsContact C-N 3.28Å; S96-E98 WeakPolarHBondContact CB-OE2 3.41Å; S96-E98 PolarHBondContact O-N 2.86Å; S96-E98 PolarHBondContact OG-N 3.35Å; S96-E98 PolarHBondContact OG-OE2 3.03Å; S96-V99 PolarHBondContact O-N 2.84Å; S96-V99 PolarHBondContact OG-N 3.45Å; S96-R100 PolarHBondContact O-N 2.87Å; S96-R100 VanDerWaalsContact O-N 3.12Å |
| 97 | D | 91.3 | Very high | 91.8 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -31.1 | 177.5 | -169.3 | 40.8 | 0 | 0 | 0 | 112.2 | Y79 R100 K101 | Y79-D97 HydrophobicContact CD1-CB 3.71Å; Y79-D97 HydrophobicContact CE1-CB 3.63Å; Y79-D97 HydrophobicContact CG-CB 4.48Å; D97-R100 PolarHBondContact O-N 3.38Å; D97-R100 IonicContact OD1-CZ 3.11Å; D97-R100 IonicContact OD1-NE 2.66Å; D97-R100 PolarHBondContact OD1-NE 3.02Å; D97-R100 IonicContact OD1-NH2 3.88Å; D97-R100 PolarHBondContact OD1-NH2 2.82Å; D97-K101 WeakPolarHBondContact O-CB 3.06Å; D97-K101 VanDerWaalsContact O-CG 3.31Å; D97-K101 WeakPolarHBondContact O-CG 3.41Å; D97-K101 PolarHBondContact O-N 3.5Å; D97-K101 WeakPolarHBondContact OD2-CE 3.33Å; D97-K101 IonicContact OD2-NZ 2.9Å; D97-K101 PolarHBondContact OD2-NZ 3.26Å |
| 98 | E | 92.4 | Very high | 92.4 | Very high | 129 Ų | 129 | 45 Ų | 45 | 60% | 0.603 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.2 | -48.7 | 176.7 | -60.8 | 70.3 | -148.6 | 0 | 0 | 110.4 | S96 R100 K101 Q102 | S96-E98 VanDerWaalsContact C-N 3.28Å; S96-E98 WeakPolarHBondContact CB-OE2 3.41Å; S96-E98 PolarHBondContact O-N 2.86Å; S96-E98 PolarHBondContact OG-N 3.35Å; S96-E98 PolarHBondContact OG-OE2 3.03Å; E98-R100 VanDerWaalsContact C-N 3.35Å; E98-R100 PolarHBondContact O-N 3.29Å; E98-K101 PolarHBondContact O-N 2.83Å; E98-Q102 WeakPolarHBondContact O-CB 3.09Å; E98-Q102 PolarHBondContact O-N 3.19Å |
| 99 | V | 93 | Very high | 92.7 | Very high | 26 Ų | 26 | 49 Ų | 49 | 16% | 0.158 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 177.3 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | E8 F10 A94 S96 K101 Q102 W103 | E8-V99 HydrophobicContact CG-CG1 3.9Å; F10-V99 HydrophobicContact CE1-CG1 3.64Å; F10-V99 HydrophobicContact CZ-CG1 3.85Å; A94-V99 HydrophobicContact CB-CB 4.42Å; A94-V99 HydrophobicContact CB-CG1 4.39Å; S96-V99 PolarHBondContact O-N 2.84Å; S96-V99 PolarHBondContact OG-N 3.45Å; V99-K101 PolarHBondContact O-N 3.47Å; V99-Q102 PolarHBondContact O-N 2.74Å; V99-W103 PolarHBondContact O-N 3.27Å |
| 100 | R | 95.2 | Very high | 92.7 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.6 | -49 | 175.3 | -178.2 | 174.8 | 66.3 | 171.5 | -2.1 | 111.5 | P80 F81 A94 S96 D97 E98 W103 L104 | P80-R100 WeakPolarHBondContact O-CD 3.46Å; P80-R100 PolarHBondContact O-NH1 2.8Å; F81-R100 HydrophobicContact CB-CG 4.26Å; F81-R100 HydrophobicContact CD1-CG 4.01Å; F81-R100 HydrophobicContact CG-CG 4.44Å; A94-R100 HydrophobicContact CB-CB 3.78Å; S96-R100 PolarHBondContact O-N 2.87Å; S96-R100 VanDerWaalsContact O-N 3.12Å; D97-R100 PolarHBondContact O-N 3.38Å; D97-R100 IonicContact OD1-CZ 3.11Å; D97-R100 IonicContact OD1-NE 2.66Å; D97-R100 PolarHBondContact OD1-NE 3.02Å; D97-R100 IonicContact OD1-NH2 3.88Å; D97-R100 PolarHBondContact OD1-NH2 2.82Å; E98-R100 VanDerWaalsContact C-N 3.35Å; E98-R100 PolarHBondContact O-N 3.29Å; R100-W103 PolarHBondContact O-N 2.91Å; R100-L104 HydrophobicContact CG-CD1 3.84Å; R100-L104 HydrophobicContact CG-CG 4.36Å; R100-L104 VanDerWaalsContact O-CB 3.31Å; R100-L104 WeakPolarHBondContact O-CB 3.17Å; R100-L104 VanDerWaalsContact O-CG 3.27Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 3.06Å |
| 101 | K | 92.4 | Very high | 92.6 | Very high | 125 Ų | 125 | 50.5 Ų | 50.5 | 54% | 0.543 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -43.2 | -179.8 | -78.8 | 167.8 | 171.2 | 160.1 | 0 | 111.7 | D97 E98 V99 L104 H105 | D97-K101 WeakPolarHBondContact O-CB 3.06Å; D97-K101 VanDerWaalsContact O-CG 3.31Å; D97-K101 WeakPolarHBondContact O-CG 3.41Å; D97-K101 PolarHBondContact O-N 3.5Å; D97-K101 WeakPolarHBondContact OD2-CE 3.33Å; D97-K101 IonicContact OD2-NZ 2.9Å; D97-K101 PolarHBondContact OD2-NZ 3.26Å; E98-K101 PolarHBondContact O-N 2.83Å; V99-K101 PolarHBondContact O-N 3.47Å; K101-L104 PolarHBondContact O-N 2.87Å; K101-H105 VanDerWaalsContact O-CB 3.28Å; K101-H105 WeakPolarHBondContact O-CB 3.15Å; K101-H105 PolarHBondContact O-N 2.82Å |
| 102 | Q | 94.8 | Very high | 92.2 | Very high | 110 Ų | 110 | 56.6 Ų | 56.6 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 177.3 | -176.9 | -177.5 | 4.9 | 0 | 0 | 111.5 | E98 V99 H105 K106 | E98-Q102 WeakPolarHBondContact O-CB 3.09Å; E98-Q102 PolarHBondContact O-N 3.19Å; V99-Q102 PolarHBondContact O-N 2.74Å; Q102-H105 PolarHBondContact O-N 3.12Å; Q102-K106 PolarHBondContact O-N 2.74Å |
| 103 | W | 95.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 179.4 | -87.5 | 75.5 | 0 | 0 | 0 | 112.6 | L6 E8 F10 F30 L32 I37 F81 V99 R100 H105 K106 L107 | L6-W103 HydrophobicContact CB-CD2 4.39Å; L6-W103 HydrophobicContact CB-CH2 3.96Å; L6-W103 HydrophobicContact CB-CZ2 3.56Å; L6-W103 HydrophobicContact CD1-CD2 3.86Å; L6-W103 HydrophobicContact CD1-CE3 4.4Å; L6-W103 HydrophobicContact CD1-CG 3.95Å; E8-W103 HydrophobicContact CB-CZ2 3.47Å; E8-W103 VanDerWaalsContact CB-CZ2 3.47Å; F10-W103 AromaticContact CE2-CD2 3.51Å; F10-W103 HydrophobicContact CE2-CD2 3.51Å; F10-W103 AromaticContact CE2-CE2 3.46Å; F10-W103 VanDerWaalsContact CE2-CE2 3.46Å; F10-W103 AromaticContact CE2-CE3 3.81Å; F10-W103 HydrophobicContact CE2-CE3 3.81Å; F10-W103 HydrophobicContact CE2-CG 4.03Å; F10-W103 HydrophobicContact CE2-CH2 4.01Å; F10-W103 AromaticContact CE2-CZ2 3.73Å; F10-W103 HydrophobicContact CE2-CZ2 3.73Å; F10-W103 HydrophobicContact CE2-CZ3 4.05Å; F10-W103 AromaticContact CE2-NE1 3.91Å; F10-W103 HydrophobicContact CZ-CB 4.46Å; F10-W103 AromaticContact CZ-CD1 3.6Å; F10-W103 AromaticContact CZ-CD2 3.67Å; F10-W103 HydrophobicContact CZ-CD2 3.67Å; F10-W103 AromaticContact CZ-CE2 3.6Å; F10-W103 HydrophobicContact CZ-CE3 4.38Å; F10-W103 AromaticContact CZ-CG 3.67Å; F10-W103 HydrophobicContact CZ-CG 3.67Å; F10-W103 HydrophobicContact CZ-CZ2 4.26Å; F10-W103 AromaticContact CZ-NE1 3.53Å; F30-W103 HydrophobicContact CB-CH2 3.82Å; F30-W103 HydrophobicContact CB-CZ3 4.21Å; L32-W103 HydrophobicContact CB-CH2 4.13Å; L32-W103 HydrophobicContact CB-CZ3 3.94Å; I37-W103 HydrophobicContact CD1-CZ3 3.83Å; F81-W103 HydrophobicContact CZ-CB 4.45Å; V99-W103 PolarHBondContact O-N 3.27Å; R100-W103 PolarHBondContact O-N 2.91Å; W103-H105 VanDerWaalsContact C-N 3.33Å; W103-H105 PolarHBondContact O-N 2.65Å; W103-K106 PolarHBondContact O-N 3.32Å; W103-L107 HydrophobicContact CE3-CD1 4.32Å; W103-L107 VanDerWaalsContact O-CB 3.25Å; W103-L107 WeakPolarHBondContact O-CB 3.39Å; W103-L107 WeakPolarHBondContact O-CG 3.27Å; W103-L107 PolarHBondContact O-N 3.13Å |
| 104 | L | 92.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 174.1 | -78.8 | 174.7 | 0 | 0 | 0 | 111.9 | V64 T66 F81 R100 K101 K108 | V64-L104 HydrophobicContact CG1-CD2 3.49Å; V64-L104 VanDerWaalsContact CG1-CD2 3.49Å; T66-L104 HydrophobicContact CG2-CD1 3.48Å; T66-L104 VanDerWaalsContact CG2-CD1 3.48Å; F81-L104 HydrophobicContact CB-CD1 4.3Å; F81-L104 HydrophobicContact CB-CD2 3.88Å; F81-L104 HydrophobicContact CB-CG 4.2Å; F81-L104 HydrophobicContact CD2-CD2 4.06Å; F81-L104 HydrophobicContact CG-CD2 4.24Å; F81-L104 HydrophobicContact CG-CG 4.44Å; R100-L104 HydrophobicContact CG-CD1 3.84Å; R100-L104 HydrophobicContact CG-CG 4.36Å; R100-L104 VanDerWaalsContact O-CB 3.31Å; R100-L104 WeakPolarHBondContact O-CB 3.17Å; R100-L104 VanDerWaalsContact O-CG 3.27Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 3.06Å; K101-L104 PolarHBondContact O-N 2.87Å; L104-K108 VanDerWaalsContact O-CB 3.24Å; L104-K108 WeakPolarHBondContact O-CB 3.21Å; L104-K108 WeakPolarHBondContact O-CG 3.27Å; L104-K108 PolarHBondContact O-N 3.31Å |
| 105 | H | 92.1 | Very high | 90.7 | Very high | 136 Ų | 136 | 75.1 Ų | 75.1 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 178.1 | 177.6 | -96.3 | 0 | 0 | 0 | 111.2 | K101 Q102 W103 H109 | K101-H105 VanDerWaalsContact O-CB 3.28Å; K101-H105 WeakPolarHBondContact O-CB 3.15Å; K101-H105 PolarHBondContact O-N 2.82Å; Q102-H105 PolarHBondContact O-N 3.12Å; W103-H105 VanDerWaalsContact C-N 3.33Å; W103-H105 PolarHBondContact O-N 2.65Å; H105-H109 WeakPolarHBondContact O-CB 3.44Å; H105-H109 PolarHBondContact O-N 2.88Å |
| 106 | K | 92.1 | Very high | 90.3 | Very high | 66 Ų | 66 | 74.3 Ų | 74.3 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.5 | -43.5 | -179.7 | -167.2 | 67.8 | 174.3 | -176 | 0 | 112.3 | L6 L32 Q102 W103 H109 V110 | L6-K106 HydrophobicContact CD1-CB 3.56Å; L6-K106 HydrophobicContact CD1-CG 3.77Å; L6-K106 HydrophobicContact CG-CB 4.45Å; L6-K106 HydrophobicContact CG-CG 4.15Å; L32-K106 HydrophobicContact CD2-CB 4.32Å; L32-K106 HydrophobicContact CD2-CG 3.78Å; Q102-K106 PolarHBondContact O-N 2.74Å; W103-K106 PolarHBondContact O-N 3.32Å; K106-H109 WeakPolarHBondContact O-CB 3.25Å; K106-H109 PolarHBondContact O-N 3.27Å; K106-V110 PolarHBondContact O-N 2.88Å |
| 107 | L | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 176.1 | -79.3 | 167.6 | 0 | 0 | 0 | 111.4 | L32 I37 V64 F81 I83 W103 H109 V110 V111 | L32-L107 HydrophobicContact CD1-CD2 3.71Å; L32-L107 HydrophobicContact CD2-CD2 4.09Å; L32-L107 HydrophobicContact CD2-CG 4.27Å; I37-L107 HydrophobicContact CD1-CD2 4.32Å; V64-L107 HydrophobicContact CG1-CB 3.86Å; V64-L107 HydrophobicContact CG1-CD1 4.13Å; V64-L107 HydrophobicContact CG2-CB 4.19Å; F81-L107 HydrophobicContact CE2-CD1 4.01Å; I83-L107 HydrophobicContact CD1-CD1 3.78Å; I83-L107 HydrophobicContact CD1-CD2 4.26Å; I83-L107 HydrophobicContact CG1-CD1 4.2Å; W103-L107 HydrophobicContact CE3-CD1 4.32Å; W103-L107 VanDerWaalsContact O-CB 3.25Å; W103-L107 WeakPolarHBondContact O-CB 3.39Å; W103-L107 WeakPolarHBondContact O-CG 3.27Å; W103-L107 PolarHBondContact O-N 3.13Å; L107-H109 PolarHBondContact O-N 2.82Å; L107-V110 WeakPolarHBondContact O-CG2 3.29Å; L107-V110 PolarHBondContact O-N 2.89Å; L107-V111 WeakPolarHBondContact O-CG1 3.21Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.49Å; L107-V111 PolarHBondContact O-N 3.35Å; L107-V111 VanDerWaalsContact O-N 3.08Å |
| 108 | K | 90.9 | Very high | 89.6 | Confident | 102 Ų | 102 | 77 Ų | 77 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 174.4 | -75.4 | 178.7 | 177.9 | -172.3 | 0 | 112.2 | V64 L104 R112 | V64-K108 HydrophobicContact CB-CG 4.32Å; V64-K108 WeakPolarHBondContact O-CE 3.43Å; L104-K108 VanDerWaalsContact O-CB 3.24Å; L104-K108 WeakPolarHBondContact O-CB 3.21Å; L104-K108 WeakPolarHBondContact O-CG 3.27Å; L104-K108 PolarHBondContact O-N 3.31Å; K108-R112 WeakPolarHBondContact O-CB 3.36Å; K108-R112 PolarHBondContact O-N 2.85Å |
| 109 | H | 89.3 | Confident | 89.1 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.3 | -175.7 | 89.6 | 0 | 0 | 0 | 112.9 | H105 K106 L107 R112 | H105-H109 WeakPolarHBondContact O-CB 3.44Å; H105-H109 PolarHBondContact O-N 2.88Å; K106-H109 WeakPolarHBondContact O-CB 3.25Å; K106-H109 PolarHBondContact O-N 3.27Å; L107-H109 PolarHBondContact O-N 2.82Å; H109-R112 VanDerWaalsContact CE1-CZ 3.45Å; H109-R112 VanDerWaalsContact O-CD 3.27Å; H109-R112 WeakPolarHBondContact O-CD 3.42Å; H109-R112 WeakPolarHBondContact O-CG 3.33Å; H109-R112 PolarHBondContact O-NE 3.08Å |
| 110 | V | 90.9 | Very high | 88.7 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -75.8 | -30.2 | -178.9 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | L5 I58 K106 L107 | L5-V110 HydrophobicContact CD1-CG1 3.79Å; I58-V110 HydrophobicContact CD1-CG2 3.9Å; I58-V110 HydrophobicContact CG1-CG2 4.37Å; I58-V110 HydrophobicContact CG2-CB 4.12Å; I58-V110 HydrophobicContact CG2-CG2 4.02Å; K106-V110 PolarHBondContact O-N 2.88Å; L107-V110 WeakPolarHBondContact O-CG2 3.29Å; L107-V110 PolarHBondContact O-N 2.89Å |
| 111 | V | 91.3 | Very high | 88.4 | Confident | 6 Ų | 6 | 80.9 Ų | 80.9 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -88.3 | -4.9 | 179.4 | -54.1 | 0 | 0 | 0 | 0 | 113.9 | I58 I61 V64 L107 F113 N114 L117 | I58-V111 HydrophobicContact CG2-CG1 4Å; I61-V111 HydrophobicContact CB-CG1 3.69Å; I61-V111 HydrophobicContact CD1-CG1 3.9Å; I61-V111 HydrophobicContact CG1-CG1 4.35Å; I61-V111 HydrophobicContact CG2-CG1 3.78Å; V64-V111 HydrophobicContact CG2-CG2 4.47Å; L107-V111 WeakPolarHBondContact O-CG1 3.21Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.49Å; L107-V111 PolarHBondContact O-N 3.35Å; L107-V111 VanDerWaalsContact O-N 3.08Å; V111-F113 PolarHBondContact O-N 3.26Å; V111-N114 VanDerWaalsContact O-CB 3.31Å; V111-N114 WeakPolarHBondContact O-CB 3.41Å; V111-N114 VanDerWaalsContact O-CG 3.31Å; V111-N114 PolarHBondContact O-N 2.79Å; V111-L117 HydrophobicContact CB-CD2 4.28Å; V111-L117 HydrophobicContact CG2-CD2 4.05Å; V111-L117 WeakPolarHBondContact O-CD1 3.23Å |
| 112 | R | 86.6 | Confident | 88.3 | Confident | 134 Ų | 134 | 75.1 Ų | 75.1 | 51% | 0.506 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -19.4 | -168.7 | 72 | -172.1 | 166.2 | 154.8 | 1.1 | 115.7 | K108 H109 | K108-R112 WeakPolarHBondContact O-CB 3.36Å; K108-R112 PolarHBondContact O-N 2.85Å; H109-R112 VanDerWaalsContact CE1-CZ 3.45Å; H109-R112 VanDerWaalsContact O-CD 3.27Å; H109-R112 WeakPolarHBondContact O-CD 3.42Å; H109-R112 WeakPolarHBondContact O-CG 3.33Å; H109-R112 PolarHBondContact O-NE 3.08Å |
| 113 | F | 84.4 | Confident | 88.1 | Confident | 157 Ų | 157 | 70 Ų | 70 | 69% | 0.689 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 6.6 | -179.7 | -59.2 | -61.6 | 0 | 0 | 0 | 113.2 | V111 | V111-F113 PolarHBondContact O-N 3.26Š|
| 114 | N | 88.1 | Confident | 87.9 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 17% | 0.171 | 33% | 0.325 | C | S | . | . | trans | -66.1 | 135.1 | 175.3 | -69.2 | 3.7 | 0 | 0 | 0 | 109.9 | I58 I61 V111 D116 L117 | I58-N114 PolarHBondContact O-ND2 3.41Å; I61-N114 PolarHBondContact O-ND2 2.83Å; V111-N114 VanDerWaalsContact O-CB 3.31Å; V111-N114 WeakPolarHBondContact O-CB 3.41Å; V111-N114 VanDerWaalsContact O-CG 3.31Å; V111-N114 PolarHBondContact O-N 2.79Å; N114-D116 VanDerWaalsContact C-N 3.29Å; N114-D116 PolarHBondContact O-N 2.83Å; N114-L117 HydrophobicContact CB-CD2 4.09Å; N114-L117 HydrophobicContact CB-CG 3.95Å | ||
| 115 | K | 80.1 | Confident | 87.7 | Confident | 203 Ų | 203 | 70.5 Ų | 70.5 | 88% | 0.883 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.9 | -177.8 | -64.4 | -178.6 | -179.3 | 178.5 | 0 | 112.9 | ||
| 116 | D | 80.8 | Confident | 87.4 | Confident | 112 Ų | 112 | 65.3 Ų | 65.3 | 60% | 0.599 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 27.8 | -171.8 | -56.9 | -40.4 | 0 | 0 | 0 | 113.6 | N114 M118 | N114-D116 VanDerWaalsContact C-N 3.29Å; N114-D116 PolarHBondContact O-N 2.83Å; D116-M118 PolarHBondContact O-N 2.79Å |
| 117 | L | 84.9 | Confident | 87 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | trans | -66.8 | 125.4 | 176.8 | -71.1 | 178.5 | 0 | 0 | 0 | 111.5 | K62 V111 N114 | K62-L117 WeakPolarHBondContact O-CA 3.18Å; V111-L117 HydrophobicContact CB-CD2 4.28Å; V111-L117 HydrophobicContact CG2-CD2 4.05Å; V111-L117 WeakPolarHBondContact O-CD1 3.23Å; N114-L117 HydrophobicContact CB-CD2 4.09Å; N114-L117 HydrophobicContact CB-CG 3.95Å | ||
| 118 | M | 82.6 | Confident | 86.3 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | trans | -72.5 | 137.1 | 178.7 | -64.7 | -172.6 | -63.2 | 0 | 0 | 111.6 | K62 C63 I84 D116 K120 | K62-M118 HydrophobicContact CB-CE 4.09Å; K62-M118 HydrophobicContact CB-CG 4.13Å; K62-M118 HydrophobicContact CB-SD 4.42Å; K62-M118 PolarHBondContact O-N 2.77Å; C63-M118 HydrophobicContact CB-CB 4.43Å; C63-M118 HydrophobicContact CB-CE 3.37Å; I84-M118 HydrophobicContact CB-CE 3.82Å; I84-M118 HydrophobicContact CD1-CE 3.69Å; I84-M118 HydrophobicContact CG1-CE 4.34Å; I84-M118 HydrophobicContact CG2-CE 3.62Å; D116-M118 PolarHBondContact O-N 2.79Å; M118-K120 VanDerWaalsContact C-N 3.34Å | ||
| 119 | Q | 80.9 | Confident | 85.7 | Confident | 159 Ų | 159 | 66.8 Ų | 66.8 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -81 | -16.7 | 176 | -62.5 | -179 | 3.3 | 0 | 0 | 113.1 | L147 | Q119-L147 PolarHBondContact O-N 3.04Š|
| 120 | K | 85.5 | Confident | 85.7 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.8 | 177.5 | -56.6 | -175.2 | -178.1 | 175.5 | 0 | 110.7 | M118 M142 G143 R145 V146 | M118-K120 VanDerWaalsContact C-N 3.34Å; K120-M142 HydrophobicContact CB-CG 4.36Å; K120-M142 HydrophobicContact CD-CG 4.3Å; K120-M142 HydrophobicContact CD-SD 4.17Å; K120-G143 WeakPolarHBondContact CB-O 3.45Å; K120-G143 VanDerWaalsContact CD-O 3.27Å; K120-G143 WeakPolarHBondContact CD-O 3.41Å; K120-R145 CarbonylContact C-O 3.58Å; K120-R145 WeakPolarHBondContact CA-O 3.06Å; K120-R145 WeakPolarHBondContact CB-O 3Å; K120-V146 HydrophobicContact CG-CG2 4.3Å |
| 121 | Y | 88.3 | Confident | 85.5 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 10% | 0.102 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 164.2 | 177.1 | 77.1 | -71.9 | 0 | 0 | 0 | 111.5 | C63 P123 G143 C144 R145 L147 | C63-Y121 VanDerWaalsContact SG-CB 3.54Å; Y121-P123 HydrophobicContact CE2-CB 3.96Å; Y121-G143 VanDerWaalsContact C-CA 3.4Å; Y121-G143 CarbonylContact O-C 3.56Å; Y121-G143 WeakPolarHBondContact O-CA 3.29Å; Y121-C144 PolarHBondContact O-N 3.34Å; Y121-R145 HydrophobicContact CD1-CB 4.42Å; Y121-R145 WeakPolarHBondContact CD1-O 3.45Å; Y121-R145 HydrophobicContact CE1-CB 4.17Å; Y121-R145 HydrophobicContact CE1-CG 4.02Å; Y121-R145 PolarHBondContact N-O 3.48Å; Y121-R145 PolarHBondContact O-N 2.93Å; Y121-L147 HydrophobicContact CD1-CD1 3.53Å; Y121-L147 HydrophobicContact CD1-CG 4.27Å; Y121-L147 HydrophobicContact CE1-CD1 4.24Å; Y121-L147 HydrophobicContact CG-CD1 3.94Å |
| 122 | H | 90.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | trans | -95.7 | 118.1 | 174.3 | -70.5 | -60.2 | 0 | 0 | 0 | 109.8 | Q82 C124 W131 C133 C134 Q136 A141 M142 G143 C144 | Q82-H122 PolarHBondContact NE2-O 3.46Å; H122-C124 VanDerWaalsContact C-N 3.29Å; H122-C124 PolarHBondContact O-N 2.95Å; H122-W131 HydrophobicContact CB-CD2 3.7Å; H122-W131 HydrophobicContact CB-CE3 3.33Å; H122-W131 HydrophobicContact CB-CG 4.46Å; H122-W131 HydrophobicContact CB-CH2 3.84Å; H122-W131 HydrophobicContact CB-CZ2 4.2Å; H122-W131 HydrophobicContact CB-CZ3 3.4Å; H122-W131 VanDerWaalsContact CB-CZ3 3.4Å; H122-W131 AromaticContact CD2-CD1 3.77Å; H122-W131 AromaticContact CD2-CD2 3.41Å; H122-W131 VanDerWaalsContact CD2-CD2 3.41Å; H122-W131 AromaticContact CD2-CE2 3.12Å; H122-W131 AromaticContact CD2-CE3 3.98Å; H122-W131 AromaticContact CD2-CG 3.81Å; H122-W131 AromaticContact CD2-CH2 3.98Å; H122-W131 AromaticContact CD2-CZ2 3.44Å; H122-W131 VanDerWaalsContact CD2-CZ2 3.44Å; H122-W131 WeakPolarHBondContact CD2-CZ2 3.4Å; H122-W131 AromaticContact CD2-NE1 3.39Å; H122-W131 PolarHBondContact CD2-NE1 3.15Å; H122-W131 AromaticContact CE1-CD1 3.92Å; H122-W131 AromaticContact CE1-CG 3.96Å; H122-W131 AromaticContact CG-CD2 3.45Å; H122-W131 VanDerWaalsContact CG-CD2 3.45Å; H122-W131 AromaticContact CG-CE2 3.69Å; H122-W131 AromaticContact CG-CE3 3.67Å; H122-W131 AromaticContact CG-CG 3.84Å; H122-W131 AromaticContact NE2-CD1 3.54Å; H122-W131 AromaticContact NE2-CD2 3.97Å; H122-W131 AromaticContact NE2-CE2 3.7Å; H122-W131 AromaticContact NE2-CG 3.87Å; H122-W131 AromaticContact NE2-NE1 3.44Å; H122-W131 PolarHBondContact NE2-NE1 2.68Å; H122-C133 PolarHBondContact ND1-SG 2.85Å; H122-C134 PolarHBondContact CE1-SG 3.25Å; H122-Q136 PolarHBondContact CE1-OE1 3.13Å; H122-Q136 PolarHBondContact NE2-OE1 3.02Å; H122-A141 PolarHBondContact NE2-O 3.09Å; H122-M142 PolarHBondContact CE1-O 3.49Å; H122-M142 VanDerWaalsContact CE1-O 3.32Å; H122-M142 PolarHBondContact NE2-O 2.91Å; H122-G143 VanDerWaalsContact CE1-CA 3.49Å; H122-G143 WeakPolarHBondContact CE1-CA 3.28Å; H122-G143 WeakPolarHBondContact NE2-CA 3.26Å; H122-C144 PolarHBondContact CE1-N 3.45Å; H122-C144 VanDerWaalsContact CE1-N 3.32Å; H122-C144 PolarHBondContact ND1-N 2.88Å; H122-C144 VanDerWaalsContact ND1-N 3.19Å | ||
| 123 | P | 89.6 | Confident | 85.5 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.019 | 31% | 0.312 | C | S | . | . | trans | -81.1 | -4.1 | -177.7 | 34.6 | -35.4 | 0 | 0 | 0 | 113.6 | V67 Q68 Y121 C133 C144 R145 | V67-P123 CarbonylContact C-O 3.58Å; V67-P123 WeakPolarHBondContact CA-O 3.31Å; Q68-P123 PolarHBondContact N-O 2.98Å; Y121-P123 HydrophobicContact CE2-CB 3.96Å; P123-C133 HydrophobicContact CG-CB 4.08Å; P123-C144 WeakPolarHBondContact CD-SG 3.37Å; P123-R145 HydrophobicContact CG-CB 4.35Å | ||
| 124 | C | 90.8 | Very high | 85.6 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -116.6 | 167.1 | -179.4 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | Q68 H122 W131 Q132 C133 | Q68-C124 PolarHBondContact OE1-SG 3.06Å; H122-C124 VanDerWaalsContact C-N 3.29Å; H122-C124 PolarHBondContact O-N 2.95Å; C124-W131 VanDerWaalsContact O-CZ3 3.25Å; C124-W131 WeakPolarHBondContact O-CZ3 3.5Å; C124-Q132 HydrophobicContact CB-CB 3.85Å; C124-C133 HydrophobicContact CB-CB 3.92Å |
| 125 | F | 89.4 | Confident | 85.5 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | trans | -68.1 | 149.9 | 177.7 | -63.9 | -76.9 | 0 | 0 | 0 | 112.5 | V67 Q68 E70 P80 Y91 F93 Q132 | V67-F125 HydrophobicContact CB-CZ 4.44Å; V67-F125 HydrophobicContact CG1-CD1 3.95Å; V67-F125 HydrophobicContact CG1-CD2 4.01Å; V67-F125 HydrophobicContact CG1-CE1 3.76Å; V67-F125 HydrophobicContact CG1-CE2 3.79Å; V67-F125 HydrophobicContact CG1-CG 4.08Å; V67-F125 HydrophobicContact CG1-CZ 3.68Å; Q68-F125 VanDerWaalsContact O-CE2 3.28Å; Q68-F125 WeakPolarHBondContact O-CE2 3.16Å; E70-F125 HydrophobicContact CG-CD2 3.88Å; E70-F125 HydrophobicContact CG-CE2 3.69Å; P80-F125 HydrophobicContact CB-CE1 4.46Å; P80-F125 HydrophobicContact CB-CZ 3.88Å; P80-F125 HydrophobicContact CG-CZ 4.04Å; Y91-F125 AromaticContact CD1-CD1 3.61Å; Y91-F125 HydrophobicContact CD1-CD1 3.61Å; Y91-F125 AromaticContact CD1-CE1 3.66Å; Y91-F125 HydrophobicContact CD1-CE1 3.66Å; Y91-F125 HydrophobicContact CD2-CD1 4.09Å; Y91-F125 HydrophobicContact CD2-CE1 4.49Å; Y91-F125 AromaticContact CE1-CD1 3.64Å; Y91-F125 HydrophobicContact CE1-CD1 3.64Å; Y91-F125 HydrophobicContact CE1-CE1 4.14Å; Y91-F125 HydrophobicContact CE2-CD1 4.11Å; Y91-F125 AromaticContact CG-CD1 3.84Å; Y91-F125 HydrophobicContact CG-CD1 3.84Å; Y91-F125 AromaticContact CG-CE1 3.86Å; Y91-F125 HydrophobicContact CG-CE1 3.86Å; Y91-F125 AromaticContact CZ-CD1 3.89Å; F93-F125 HydrophobicContact CE1-CE1 4.37Å; F93-F125 AromaticContact CE1-CZ 3.89Å; F93-F125 HydrophobicContact CE1-CZ 3.89Å; F93-F125 AromaticContact CZ-CE1 3.97Å; F93-F125 HydrophobicContact CZ-CE1 3.97Å; F93-F125 AromaticContact CZ-CZ 3.93Å; F93-F125 HydrophobicContact CZ-CZ 3.93Å; F125-Q132 WeakPolarHBondContact O-CB 3.31Å; F125-Q132 VanDerWaalsContact O-CG 3.29Å; F125-Q132 WeakPolarHBondContact O-CG 3.38Å; F125-Q132 PolarHBondContact O-N 2.76Å; F125-Q132 VanDerWaalsContact O-N 3.14Å | ||
| 126 | W | 85.9 | Confident | 85.5 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 11% | 0.106 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.1 | 160.6 | 175.8 | -88.9 | 0 | 0 | 0 | 108.7 | R13 Y91 G129 W131 Q136 E137 K139 | R13-W126 PolarHBondContact NH2-O 2.81Å; Y91-W126 PolarHBondContact OH-N 3.48Å; W126-G129 WeakPolarHBondContact CH2-O 3.25Å; W126-G129 VanDerWaalsContact CZ2-O 3.26Å; W126-G129 WeakPolarHBondContact CZ2-O 3.44Å; W126-W131 HydrophobicContact CB-CD2 4.36Å; W126-W131 HydrophobicContact CB-CE3 4.04Å; W126-W131 HydrophobicContact CB-CH2 4.27Å; W126-W131 HydrophobicContact CB-CZ3 4.01Å; W126-W131 HydrophobicContact CE3-CB 4.33Å; W126-W131 AromaticContact CE3-CD1 3.43Å; W126-W131 VanDerWaalsContact CE3-CD1 3.43Å; W126-W131 AromaticContact CE3-CD2 3.68Å; W126-W131 HydrophobicContact CE3-CD2 3.68Å; W126-W131 AromaticContact CE3-CE2 3.64Å; W126-W131 HydrophobicContact CE3-CE3 4.46Å; W126-W131 AromaticContact CE3-CG 3.58Å; W126-W131 HydrophobicContact CE3-CG 3.58Å; W126-W131 HydrophobicContact CE3-CZ2 4.43Å; W126-W131 AromaticContact CE3-NE1 3.43Å; W126-W131 AromaticContact CZ3-CD1 3.4Å; W126-W131 HydrophobicContact CZ3-CD2 4.43Å; W126-W131 AromaticContact CZ3-CG 3.94Å; W126-W131 HydrophobicContact CZ3-CG 3.94Å; W126-W131 AromaticContact CZ3-NE1 3.61Å; W126-Q136 VanDerWaalsContact CZ3-O 3.31Å; W126-Q136 WeakPolarHBondContact CZ3-O 3.46Å; W126-E137 VanDerWaalsContact CH2-C 3.45Å; W126-E137 WeakPolarHBondContact CH2-O 3.42Å; W126-K139 HydrophobicContact CD2-CB 3.91Å; W126-K139 HydrophobicContact CD2-CD 4.32Å; W126-K139 HydrophobicContact CD2-CG 3.69Å; W126-K139 HydrophobicContact CE3-CB 4.14Å; W126-K139 HydrophobicContact CE3-CG 4.22Å; W126-K139 HydrophobicContact CG-CD 4.24Å; W126-K139 HydrophobicContact CG-CG 3.89Å; W126-K139 VanDerWaalsContact CH2-CA 3.47Å; W126-K139 HydrophobicContact CH2-CB 3.85Å; W126-K139 HydrophobicContact CZ2-CB 3.6Å; W126-K139 HydrophobicContact CZ2-CG 4.2Å; W126-K139 HydrophobicContact CZ3-CB 4.11Å; W126-K139 VanDerWaalsContact CZ3-N 3.32Å |
| 127 | M | 82.5 | Confident | 85.7 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 22% | 0.222 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 142.4 | -177.5 | -166.7 | 176.9 | -68.5 | 0 | 0 | 109.3 | E70 G129 M130 Q132 | E70-M127 VanDerWaalsContact OE1-CE 3.27Å; E70-M127 WeakPolarHBondContact OE1-CE 3.41Å; M127-G129 PolarHBondContact O-N 2.9Å; M127-M130 PolarHBondContact N-O 2.86Å; M127-M130 PolarHBondContact O-N 3.08Å; M127-Q132 HydrophobicContact CB-CG 4.32Å |
| 128 | D | 78.6 | Confident | 85.5 | Confident | 130 Ų | 130 | 58.8 Ų | 58.8 | 70% | 0.695 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 31.1 | 175.7 | -54 | -30 | 0 | 0 | 0 | 115.6 | ||
| 129 | G | 79.6 | Confident | 85.4 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 25% | 0.247 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 9.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | W126 M127 E137 | W126-G129 WeakPolarHBondContact CH2-O 3.25Å; W126-G129 VanDerWaalsContact CZ2-O 3.26Å; W126-G129 WeakPolarHBondContact CZ2-O 3.44Å; M127-G129 PolarHBondContact O-N 2.9Å; G129-E137 WeakPolarHBondContact O-CA 2.97Å |
| 130 | M | 87.6 | Confident | 85.3 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156.8 | 179.1 | 71.5 | -165.3 | -35.4 | 0 | 0 | 114.2 | M127 Q135 Q136 | M127-M130 PolarHBondContact N-O 2.86Å; M127-M130 PolarHBondContact O-N 3.08Å; M130-Q135 HydrophobicContact CE-CB 3.68Å; M130-Q135 HydrophobicContact CE-CG 4.08Å; M130-Q135 PolarHBondContact SD-OE1 2.81Å; M130-Q135 VanDerWaalsContact SD-OE1 3.34Å; M130-Q136 CarbonylContact C-O 3.5Å; M130-Q136 WeakPolarHBondContact CA-O 3.26Å |
| 131 | W | 88.4 | Confident | 85.1 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 116.1 | 171.7 | -76.7 | 108.3 | 0 | 0 | 0 | 111.3 | P89 Y91 H122 C124 W126 C133 C134 Q135 Q136 V138 K139 | P89-W131 HydrophobicContact CB-CH2 4.27Å; P89-W131 HydrophobicContact CG-CH2 3.9Å; P89-W131 HydrophobicContact CG-CZ2 4.49Å; Y91-W131 VanDerWaalsContact OH-CZ3 3.24Å; Y91-W131 WeakPolarHBondContact OH-CZ3 3.38Å; H122-W131 HydrophobicContact CB-CD2 3.7Å; H122-W131 HydrophobicContact CB-CE3 3.33Å; H122-W131 HydrophobicContact CB-CG 4.46Å; H122-W131 HydrophobicContact CB-CH2 3.84Å; H122-W131 HydrophobicContact CB-CZ2 4.2Å; H122-W131 HydrophobicContact CB-CZ3 3.4Å; H122-W131 VanDerWaalsContact CB-CZ3 3.4Å; H122-W131 AromaticContact CD2-CD1 3.77Å; H122-W131 AromaticContact CD2-CD2 3.41Å; H122-W131 VanDerWaalsContact CD2-CD2 3.41Å; H122-W131 AromaticContact CD2-CE2 3.12Å; H122-W131 AromaticContact CD2-CE3 3.98Å; H122-W131 AromaticContact CD2-CG 3.81Å; H122-W131 AromaticContact CD2-CH2 3.98Å; H122-W131 AromaticContact CD2-CZ2 3.44Å; H122-W131 VanDerWaalsContact CD2-CZ2 3.44Å; H122-W131 WeakPolarHBondContact CD2-CZ2 3.4Å; H122-W131 AromaticContact CD2-NE1 3.39Å; H122-W131 PolarHBondContact CD2-NE1 3.15Å; H122-W131 AromaticContact CE1-CD1 3.92Å; H122-W131 AromaticContact CE1-CG 3.96Å; H122-W131 AromaticContact CG-CD2 3.45Å; H122-W131 VanDerWaalsContact CG-CD2 3.45Å; H122-W131 AromaticContact CG-CE2 3.69Å; H122-W131 AromaticContact CG-CE3 3.67Å; H122-W131 AromaticContact CG-CG 3.84Å; H122-W131 AromaticContact NE2-CD1 3.54Å; H122-W131 AromaticContact NE2-CD2 3.97Å; H122-W131 AromaticContact NE2-CE2 3.7Å; H122-W131 AromaticContact NE2-CG 3.87Å; H122-W131 AromaticContact NE2-NE1 3.44Å; H122-W131 PolarHBondContact NE2-NE1 2.68Å; C124-W131 VanDerWaalsContact O-CZ3 3.25Å; C124-W131 WeakPolarHBondContact O-CZ3 3.5Å; W126-W131 HydrophobicContact CB-CD2 4.36Å; W126-W131 HydrophobicContact CB-CE3 4.04Å; W126-W131 HydrophobicContact CB-CH2 4.27Å; W126-W131 HydrophobicContact CB-CZ3 4.01Å; W126-W131 HydrophobicContact CE3-CB 4.33Å; W126-W131 AromaticContact CE3-CD1 3.43Å; W126-W131 VanDerWaalsContact CE3-CD1 3.43Å; W126-W131 AromaticContact CE3-CD2 3.68Å; W126-W131 HydrophobicContact CE3-CD2 3.68Å; W126-W131 AromaticContact CE3-CE2 3.64Å; W126-W131 HydrophobicContact CE3-CE3 4.46Å; W126-W131 AromaticContact CE3-CG 3.58Å; W126-W131 HydrophobicContact CE3-CG 3.58Å; W126-W131 HydrophobicContact CE3-CZ2 4.43Å; W126-W131 AromaticContact CE3-NE1 3.43Å; W126-W131 AromaticContact CZ3-CD1 3.4Å; W126-W131 HydrophobicContact CZ3-CD2 4.43Å; W126-W131 AromaticContact CZ3-CG 3.94Å; W126-W131 HydrophobicContact CZ3-CG 3.94Å; W126-W131 AromaticContact CZ3-NE1 3.61Å; W131-C133 PolarHBondContact O-N 3.19Å; W131-C134 PolarHBondContact O-N 3.3Å; W131-C134 VanDerWaalsContact O-N 3.11Å; W131-Q135 WeakPolarHBondContact O-CA 3.42Å; W131-Q135 PolarHBondContact O-N 2.82Å; W131-Q136 HydrophobicContact CB-CB 4.48Å; W131-Q136 PolarHBondContact N-O 3.04Å; W131-V138 PolarHBondContact NE1-O 3.42Å; W131-V138 VanDerWaalsContact NE1-O 3.12Å; W131-K139 WeakPolarHBondContact CZ2-O 3.42Å; W131-K139 PolarHBondContact NE1-O 3.01Å |
| 132 | Q | 89.5 | Confident | 84.8 | Confident | 85 Ų | 85 | 58 Ų | 58 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.1 | -176.9 | -62.6 | -62.6 | -50.6 | 0 | 0 | 114.5 | C124 F125 M127 | C124-Q132 HydrophobicContact CB-CB 3.85Å; F125-Q132 WeakPolarHBondContact O-CB 3.31Å; F125-Q132 VanDerWaalsContact O-CG 3.29Å; F125-Q132 WeakPolarHBondContact O-CG 3.38Å; F125-Q132 PolarHBondContact O-N 2.76Å; F125-Q132 VanDerWaalsContact O-N 3.14Å; M127-Q132 HydrophobicContact CB-CG 4.32Å |
| 133 | C | 87.3 | Confident | 84.6 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 28% | 0.277 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -28 | 175.8 | 76 | 0 | 0 | 0 | 0 | 114.4 | H122 P123 C124 W131 C144 | H122-C133 PolarHBondContact ND1-SG 2.85Å; P123-C133 HydrophobicContact CG-CB 4.08Å; C124-C133 HydrophobicContact CB-CB 3.92Å; W131-C133 PolarHBondContact O-N 3.19Å; C133-C144 WeakPolarHBondContact CB-SG 3.42Å; C133-C144 WeakPolarHBondContact SG-CB 3.15Å; C133-C144 CovalentContact SG-SG 2.09Å; C133-C144 PolarHBondContact SG-SG 3.5Å |
| 134 | C | 85.6 | Confident | 84.4 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 32% | 0.324 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.2 | 3.6 | -166 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | H122 W131 Q136 C144 | H122-C134 PolarHBondContact CE1-SG 3.25Å; W131-C134 PolarHBondContact O-N 3.3Å; W131-C134 VanDerWaalsContact O-N 3.11Å; C134-Q136 PolarHBondContact O-N 3.48Å; C134-Q136 VanDerWaalsContact O-N 3.1Å; C134-Q136 VanDerWaalsContact SG-CD 3.55Å; C134-Q136 WeakPolarHBondContact SG-CG 3.35Å; C134-C144 HydrophobicContact CB-CB 3.63Å |
| 135 | Q | 87.3 | Confident | 84.1 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 48% | 0.477 | 34% | 0.337 | S | S | . | . | trans | 56.5 | 21.5 | -178.9 | -48.5 | -56.4 | 8 | 0 | 0 | 115 | M130 W131 E137 | M130-Q135 HydrophobicContact CE-CB 3.68Å; M130-Q135 HydrophobicContact CE-CG 4.08Å; M130-Q135 PolarHBondContact SD-OE1 2.81Å; M130-Q135 VanDerWaalsContact SD-OE1 3.34Å; W131-Q135 WeakPolarHBondContact O-CA 3.42Å; W131-Q135 PolarHBondContact O-N 2.82Å; Q135-E137 PolarHBondContact O-N 3.17Å | ||
| 136 | Q | 80.8 | Confident | 83.8 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | trans | -66.4 | 127.9 | 170.7 | -75.6 | 176.2 | -6.5 | 0 | 0 | 110 | H122 W126 M130 W131 C134 V138 A141 M142 | H122-Q136 PolarHBondContact CE1-OE1 3.13Å; H122-Q136 PolarHBondContact NE2-OE1 3.02Å; W126-Q136 VanDerWaalsContact CZ3-O 3.31Å; W126-Q136 WeakPolarHBondContact CZ3-O 3.46Å; M130-Q136 CarbonylContact C-O 3.5Å; M130-Q136 WeakPolarHBondContact CA-O 3.26Å; W131-Q136 HydrophobicContact CB-CB 4.48Å; W131-Q136 PolarHBondContact N-O 3.04Å; C134-Q136 PolarHBondContact O-N 3.48Å; C134-Q136 VanDerWaalsContact O-N 3.1Å; C134-Q136 VanDerWaalsContact SG-CD 3.55Å; C134-Q136 WeakPolarHBondContact SG-CG 3.35Å; Q136-V138 VanDerWaalsContact C-N 3.3Å; Q136-V138 PolarHBondContact O-N 3.5Å; Q136-A141 HydrophobicContact CB-CB 4.04Å; Q136-A141 HydrophobicContact CG-CB 4.38Å; Q136-M142 PolarHBondContact OE1-O 3.24Å; Q136-M142 VanDerWaalsContact OE1-O 3.12Å | ||
| 137 | E | 84.1 | Confident | 83.3 | Confident | 154 Ų | 154 | 69.4 Ų | 69.4 | 72% | 0.72 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -91.3 | 12.1 | -174.8 | -60.3 | 177.9 | 170.7 | 0 | 0 | 113.4 | W126 G129 Q135 | W126-E137 VanDerWaalsContact CH2-C 3.45Å; W126-E137 WeakPolarHBondContact CH2-O 3.42Å; G129-E137 WeakPolarHBondContact O-CA 2.97Å; Q135-E137 PolarHBondContact O-N 3.17Å |
| 138 | V | 81.5 | Confident | 82.3 | Confident | 92 Ų | 92 | 75.6 Ų | 75.6 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | trans | -117.2 | 120.1 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | W131 Q136 Q140 A141 | W131-V138 PolarHBondContact NE1-O 3.42Å; W131-V138 VanDerWaalsContact NE1-O 3.12Å; Q136-V138 VanDerWaalsContact C-N 3.3Å; Q136-V138 PolarHBondContact O-N 3.5Å; V138-Q140 PolarHBondContact O-N 2.89Å; V138-Q140 VanDerWaalsContact O-N 3.14Å; V138-A141 HydrophobicContact CB-CB 4.09Å; V138-A141 WeakPolarHBondContact O-CB 3.31Å; V138-A141 PolarHBondContact O-N 3.34Å | ||
| 139 | K | 79.1 | Confident | 81 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.6 | -174.6 | -166.6 | 172.2 | -174.1 | 179.9 | 0 | 113.9 | Q15 Q16 W126 W131 | Q15-K139 PolarHBondContact O-NZ 3.35Å; Q16-K139 PolarHBondContact O-NZ 3.41Å; Q16-K139 VanDerWaalsContact O-NZ 3.15Å; W126-K139 HydrophobicContact CD2-CB 3.91Å; W126-K139 HydrophobicContact CD2-CD 4.32Å; W126-K139 HydrophobicContact CD2-CG 3.69Å; W126-K139 HydrophobicContact CE3-CB 4.14Å; W126-K139 HydrophobicContact CE3-CG 4.22Å; W126-K139 HydrophobicContact CG-CD 4.24Å; W126-K139 HydrophobicContact CG-CG 3.89Å; W126-K139 VanDerWaalsContact CH2-CA 3.47Å; W126-K139 HydrophobicContact CH2-CB 3.85Å; W126-K139 HydrophobicContact CZ2-CB 3.6Å; W126-K139 HydrophobicContact CZ2-CG 4.2Å; W126-K139 HydrophobicContact CZ3-CB 4.11Å; W126-K139 VanDerWaalsContact CZ3-N 3.32Å; W131-K139 WeakPolarHBondContact CZ2-O 3.42Å; W131-K139 PolarHBondContact NE1-O 3.01Å |
| 140 | Q | 79.4 | Confident | 79.3 | Confident | 100 Ų | 100 | 82.8 Ų | 82.8 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 12.4 | 176.9 | -64.9 | -70.3 | 1.7 | 0 | 0 | 112.8 | D86 G88 V138 | D86-Q140 PolarHBondContact O-NE2 2.67Å; G88-Q140 VanDerWaalsContact CA-NE2 3.33Å; V138-Q140 PolarHBondContact O-N 2.89Å; V138-Q140 VanDerWaalsContact O-N 3.14Å |
| 141 | A | 81 | Confident | 77 | Confident | 26 Ų | 26 | 87.6 Ų | 87.6 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 147.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H122 Q136 V138 G143 | H122-A141 PolarHBondContact NE2-O 3.09Å; Q136-A141 HydrophobicContact CB-CB 4.04Å; Q136-A141 HydrophobicContact CG-CB 4.38Å; V138-A141 HydrophobicContact CB-CB 4.09Å; V138-A141 WeakPolarHBondContact O-CB 3.31Å; V138-A141 PolarHBondContact O-N 3.34Å; A141-G143 PolarHBondContact O-N 3.47Å |
| 142 | M | 82.2 | Confident | 74.4 | Confident | 138 Ų | 138 | 93.9 Ų | 93.9 | 68% | 0.68 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 133.9 | 177.7 | -175.9 | -179.2 | -72.9 | 0 | 0 | 110.6 | K120 H122 Q136 | K120-M142 HydrophobicContact CB-CG 4.36Å; K120-M142 HydrophobicContact CD-CG 4.3Å; K120-M142 HydrophobicContact CD-SD 4.17Å; H122-M142 PolarHBondContact CE1-O 3.49Å; H122-M142 VanDerWaalsContact CE1-O 3.32Å; H122-M142 PolarHBondContact NE2-O 2.91Å; Q136-M142 PolarHBondContact OE1-O 3.24Å; Q136-M142 VanDerWaalsContact OE1-O 3.12Å |
| 143 | G | 85.6 | Confident | 71.6 | Confident | 6 Ų | 6 | 92.8 Ų | 92.8 | 6% | 0.062 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 144.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K120 Y121 H122 A141 | K120-G143 WeakPolarHBondContact CB-O 3.45Å; K120-G143 VanDerWaalsContact CD-O 3.27Å; K120-G143 WeakPolarHBondContact CD-O 3.41Å; Y121-G143 VanDerWaalsContact C-CA 3.4Å; Y121-G143 CarbonylContact O-C 3.56Å; Y121-G143 WeakPolarHBondContact O-CA 3.29Å; H122-G143 VanDerWaalsContact CE1-CA 3.49Å; H122-G143 WeakPolarHBondContact CE1-CA 3.28Å; H122-G143 WeakPolarHBondContact NE2-CA 3.26Å; A141-G143 PolarHBondContact O-N 3.47Å |
| 144 | C | 85.7 | Confident | 69.1 | Low | 56 Ų | 56 | 97.2 Ų | 97.2 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -79.9 | -15.2 | 177.6 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | Y121 H122 P123 C133 C134 | Y121-C144 PolarHBondContact O-N 3.34Å; H122-C144 PolarHBondContact CE1-N 3.45Å; H122-C144 VanDerWaalsContact CE1-N 3.32Å; H122-C144 PolarHBondContact ND1-N 2.88Å; H122-C144 VanDerWaalsContact ND1-N 3.19Å; P123-C144 WeakPolarHBondContact CD-SG 3.37Å; C133-C144 WeakPolarHBondContact CB-SG 3.42Å; C133-C144 WeakPolarHBondContact SG-CB 3.15Å; C133-C144 CovalentContact SG-SG 2.09Å; C133-C144 PolarHBondContact SG-SG 3.5Å; C134-C144 HydrophobicContact CB-CB 3.63Å |
| 145 | R | 85.4 | Confident | 66.4 | Low | 111 Ų | 111 | 100.6 Ų | 100.6 | 42% | 0.419 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.6 | -177.4 | -174 | 175.1 | -72.7 | 176.2 | 0.5 | 112 | K120 Y121 P123 | K120-R145 CarbonylContact C-O 3.58Å; K120-R145 WeakPolarHBondContact CA-O 3.06Å; K120-R145 WeakPolarHBondContact CB-O 3Å; Y121-R145 HydrophobicContact CD1-CB 4.42Å; Y121-R145 WeakPolarHBondContact CD1-O 3.45Å; Y121-R145 HydrophobicContact CE1-CB 4.17Å; Y121-R145 HydrophobicContact CE1-CG 4.02Å; Y121-R145 PolarHBondContact N-O 3.48Å; Y121-R145 PolarHBondContact O-N 2.93Å; P123-R145 HydrophobicContact CG-CB 4.35Å |
| 146 | V | 83.6 | Confident | 64 | Low | 93 Ų | 93 | 105.6 Ų | 105.6 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 135.4 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | K120 E148 | K120-V146 HydrophobicContact CG-CG2 4.3Å; V146-E148 PolarHBondContact O-N 2.99Å |
| 147 | L | 75.1 | Confident | 61.5 | Low | 34 Ų | 34 | 106 Ų | 106 | 18% | 0.178 | 59% | 0.587 | C | S | . | * | trans | -73.6 | 113.4 | 169 | -131.5 | 107 | 0 | 0 | 0 | 107.6 | C63 Q119 Y121 N149 | C63-L147 VanDerWaalsContact SG-CD1 3.5Å; Q119-L147 PolarHBondContact O-N 3.04Å; Y121-L147 HydrophobicContact CD1-CD1 3.53Å; Y121-L147 HydrophobicContact CD1-CG 4.27Å; Y121-L147 HydrophobicContact CE1-CD1 4.24Å; Y121-L147 HydrophobicContact CG-CD1 3.94Å; L147-N149 VanDerWaalsContact C-N 3.27Å; L147-N149 PolarHBondContact O-N 3.45Å | ||
| 148 | E | 61.9 | Low | 58.9 | Low | 175 Ų | 175 | 104.2 Ų | 104.2 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | trans | -68.5 | 88 | 173.7 | -70.6 | -174.6 | 175.8 | 0 | 0 | 109.8 | V146 K150 | V146-E148 PolarHBondContact O-N 2.99Å; E148-K150 PolarHBondContact O-N 3.17Å | ||
| 149 | N | 51.2 | Low | 56.8 | Low | 108 Ų | 108 | 111.2 Ų | 111.2 | 58% | 0.578 | 61% | 0.608 | S | S | * | * | trans | -76.5 | 104.9 | 165.7 | -80.9 | -6.7 | 0 | 0 | 0 | 107.4 | L147 N151 | L147-N149 VanDerWaalsContact C-N 3.27Å; L147-N149 PolarHBondContact O-N 3.45Å; N149-N151 PolarHBondContact O-N 3.24Å | ||
| 150 | K | 42.8 | Very low | 54.5 | Low | 196 Ų | 196 | 120.8 Ų | 120.8 | 85% | 0.852 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -63 | 13.6 | 175.9 | -95.3 | -171.1 | 176.7 | -177 | 0 | 115.4 | E148 | E148-K150 PolarHBondContact O-N 3.17Š|
| 151 | N | 39 | Very low | 52.6 | Low | 152 Ų | 152 | 125.1 Ų | 125.1 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | trans | -144.1 | 76.2 | 180 | -76.7 | -28 | 0 | 0 | 0 | 111.9 | N149 | N149-N151 PolarHBondContact O-N 3.24Š| ||
| 152 | V | 34.4 | Very low | 50.2 | Low | 136 Ų | 136 | 129 Ų | 129 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | trans | -146.8 | 124.8 | 144.8 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 153 | G | 31.2 | Very low | 47.9 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | trans | -62 | 151.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S155 | G153-S155 PolarHBondContact O-N 2.74Š| ||
| 154 | V | 35.2 | Very low | 45.4 | Very low | 134 Ų | 134 | 142 Ų | 142 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | -38.8 | 123.5 | 169.7 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 155 | S | 28.9 | Very low | 43 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -136.9 | 110.4 | 158.6 | -71.9 | 0 | 0 | 0 | 0 | 108.8 | G153 | G153-S155 PolarHBondContact O-N 2.74Š| ||
| 156 | K | 36.2 | Very low | 40.4 | Very low | 206 Ų | 206 | 148 Ų | 148 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | trans | -69 | 144.1 | 175.4 | -74.9 | 173.4 | 170.9 | 174.9 | 0 | 110.4 | ||||
| 157 | G | 28.1 | Very low | 38.2 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | 134.9 | 130.8 | 164 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 158 | S | 29 | Very low | 36.3 | Very low | 117 Ų | 117 | 152.9 Ų | 152.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | cis | -156.5 | 136.2 | 3.8 | 178 | 0 | 0 | 0 | 0 | 107 | R160 | S158-R160 PolarHBondContact O-N 3.24Š| ||
| 159 | R | 38.2 | Very low | 34.8 | Very low | 238 Ų | 238 | 150.9 Ų | 150.9 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -67.7 | 126.1 | 171.1 | -76.3 | 175.6 | 179.2 | 170.1 | -1 | 108.8 | ||||
| 160 | R | 31.6 | Very low | 34 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | trans | -132.3 | 122.5 | 147.2 | -86.9 | -171.6 | 173.1 | 179.6 | -1.9 | 109.8 | S158 | S158-R160 PolarHBondContact O-N 3.24Š| ||
| 161 | Q | 38.4 | Very low | 33.9 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -84.6 | 144.2 | 178.8 | -72.9 | 171.2 | -33.9 | 0 | 0 | 111.3 | ||||
| 162 | S | 29.8 | Very low | 33.6 | Very low | 109 Ų | 109 | 152.7 Ų | 152.7 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -165.6 | 102.5 | 145.1 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 163 | R | 33.9 | Very low | 33.6 | Very low | 228 Ų | 228 | 155.1 Ų | 155.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | 42.6 | 118.7 | 94 | -72.6 | -174.2 | 172.2 | -170.8 | -1.6 | 111 | |||||
| 164 | K | 33.7 | Very low | 33.6 | Very low | 189 Ų | 189 | 161.5 Ų | 161.5 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | cis | -157.7 | 164.1 | 21.2 | -87.6 | 172.1 | 172.4 | 178.8 | 0 | 108.2 | ||||
| 165 | P | 35 | Very low | 33.4 | Very low | 126 Ų | 126 | 160.8 Ų | 160.8 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 138.9 | 171.6 | 30.1 | -31.1 | 0 | 0 | 0 | 111.9 | ||
| 166 | L | 32.3 | Very low | 33.7 | Very low | 166 Ų | 166 | 163.4 Ų | 163.4 | 87% | 0.869 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 145.2 | 164.6 | -75.7 | 162.3 | 0 | 0 | 0 | 109.3 | ||
| 167 | P | 35.7 | Very low | 33.6 | Very low | 104 Ų | 104 | 164.8 Ų | 164.8 | 68% | 0.675 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72 | 159.8 | -178.2 | 29.8 | -32.5 | 0 | 0 | 0 | 112.1 | T169 | P167-T169 PolarHBondContact O-N 2.95Š|
| 168 | P | 35.3 | Very low | 34 | Very low | 126 Ų | 126 | 166.7 Ų | 166.7 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70 | 129.6 | 174.8 | 29.2 | -31.5 | 0 | 0 | 0 | 110.1 | ||
| 169 | T | 30.6 | Very low | 34.3 | Very low | 133 Ų | 133 | 168.9 Ų | 168.9 | 82% | 0.816 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 145.5 | 165.4 | 5.2 | 0 | 0 | 0 | 0 | 109.7 | P167 | P167-T169 PolarHBondContact O-N 2.95Š|
| 170 | P | 34.4 | Very low | 34.2 | Very low | 112 Ų | 112 | 162.6 Ų | 162.6 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 150.9 | -174 | -0 | 16.3 | 0 | 0 | 0 | 111.6 | E172 | P170-E172 PolarHBondContact O-N 3.49Å; P170-E172 VanDerWaalsContact O-N 3.1Å |
| 171 | E | 40.8 | Very low | 34.5 | Very low | 200 Ų | 200 | 156.4 Ų | 156.4 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | trans | -61.3 | 105.6 | 165.6 | -71.2 | 174.2 | 157.9 | 0 | 0 | 109.2 | ||||
| 172 | E | 32.8 | Very low | 34.4 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -90.4 | 109.8 | 159.5 | -84.4 | -175.5 | 163.3 | 0 | 0 | 108.3 | P170 K174 | P170-E172 PolarHBondContact O-N 3.49Å; P170-E172 VanDerWaalsContact O-N 3.1Å; E172-K174 PolarHBondContact O-N 3.4Å; E172-K174 VanDerWaalsContact O-N 3.1Å | ||
| 173 | E | 34.8 | Very low | 34.7 | Very low | 187 Ų | 187 | 155.6 Ų | 155.6 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -56.2 | 110.2 | 161.1 | -74.4 | -178.6 | 149.1 | 0 | 0 | 108.7 | P175 | E173-P175 WeakPolarHBondContact O-CD 3.35Š| ||
| 174 | K | 30.2 | Very low | 34.6 | Very low | 197 Ų | 197 | 150.8 Ų | 150.8 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -66.1 | 124.2 | 168.7 | -86 | -179.5 | 176.6 | 175.5 | 0 | 109 | E172 L176 | E172-K174 PolarHBondContact O-N 3.4Å; E172-K174 VanDerWaalsContact O-N 3.1Å; K174-L176 PolarHBondContact O-N 3.23Å | ||
| 175 | P | 32.6 | Very low | 34.5 | Very low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -64.8 | 135.6 | 166.7 | -11.5 | 26 | 0 | 0 | 0 | 109.2 | E173 R177 | E173-P175 WeakPolarHBondContact O-CD 3.35Å; P175-R177 PolarHBondContact O-N 2.87Å; P175-R177 VanDerWaalsContact O-N 3.11Å | ||
| 176 | L | 33.7 | Very low | 34.4 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -51.9 | 115.2 | 166.7 | -76.6 | 153 | 0 | 0 | 0 | 108.9 | K174 | K174-L176 PolarHBondContact O-N 3.23Š| ||
| 177 | R | 34.1 | Very low | 34.4 | Very low | 235 Ų | 235 | 150.5 Ų | 150.5 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 135.6 | 165.7 | -86.8 | -175.6 | -166.6 | 179.8 | 3.6 | 108.5 | P175 | P175-R177 PolarHBondContact O-N 2.87Å; P175-R177 VanDerWaalsContact O-N 3.11Å |
| 178 | P | 37.1 | Very low | 34.6 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 140.7 | 165.5 | -15.5 | 28.4 | 0 | 0 | 0 | 109.4 | ||
| 179 | L | 34.3 | Very low | 35.2 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 141.7 | 168.8 | -76.2 | 153.5 | 0 | 0 | 0 | 109.7 | ||
| 180 | P | 36.8 | Very low | 36.3 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 142.8 | 168.5 | -14 | 26.9 | 0 | 0 | 0 | 109 | Q182 | P180-Q182 PolarHBondContact O-N 2.95Š|
| 181 | P | 38.7 | Very low | 37.5 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 134.2 | 170.8 | 22.7 | -29.8 | 0 | 0 | 0 | 108.7 | ||
| 182 | Q | 35.3 | Very low | 38.7 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 138.2 | 171.5 | -75.7 | 175.1 | -25.9 | 0 | 0 | 108.8 | P180 | P180-Q182 PolarHBondContact O-N 2.95Š|
| 183 | P | 36.3 | Very low | 40.9 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -56 | 147.5 | 169.3 | 25.1 | -32 | 0 | 0 | 0 | 108.7 | E185 | P183-E185 PolarHBondContact O-N 2.82Å; P183-E185 VanDerWaalsContact O-N 3.13Å |
| 184 | P | 32.4 | Very low | 43.1 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -54 | 124.3 | 176.5 | -17.5 | 28.8 | 0 | 0 | 0 | 108.8 | E186 | P184-E186 PolarHBondContact O-N 3.47Š|
| 185 | E | 32.2 | Very low | 45.7 | Very low | 172 Ų | 172 | 113.3 Ų | 113.3 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 130.1 | 166 | -78.8 | 177.6 | 150.3 | 0 | 0 | 108 | P183 | P183-E185 PolarHBondContact O-N 2.82Å; P183-E185 VanDerWaalsContact O-N 3.13Å |
| 186 | E | 31.3 | Very low | 48 | Very low | 175 Ų | 175 | 109.4 Ų | 109.4 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 143.1 | 159.9 | -68 | -176.8 | 169.8 | 0 | 0 | 108.2 | P184 A188 | P184-E186 PolarHBondContact O-N 3.47Å; E186-A188 PolarHBondContact O-N 2.97Å |
| 187 | P | 33.6 | Very low | 50.3 | Low | 128 Ų | 128 | 101.1 Ų | 101.1 | 83% | 0.831 | 58% | 0.577 | S | S | * | * | trans | -55.5 | 107.6 | -170.6 | 19.9 | -30.6 | 0 | 0 | 0 | 110.8 | L189 | P187-L189 PolarHBondContact O-N 3.29Š| ||
| 188 | A | 39 | Very low | 51.7 | Low | 76 Ų | 76 | 92.1 Ų | 92.1 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 119.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | E186 T190 | E186-A188 PolarHBondContact O-N 2.97Å; A188-T190 PolarHBondContact O-N 2.74Å |
| 189 | L | 47.8 | Very low | 53.2 | Low | 68 Ų | 68 | 88 Ų | 88 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 130.4 | 171.3 | -73.7 | 161.3 | 0 | 0 | 0 | 109.6 | P187 M193 M222 W228 E247 | P187-L189 PolarHBondContact O-N 3.29Å; L189-M193 HydrophobicContact CB-CE 3.98Å; L189-M193 HydrophobicContact CB-SD 3.7Å; L189-M193 HydrophobicContact CD1-CE 4.22Å; L189-M193 HydrophobicContact CD1-SD 4.45Å; L189-M193 HydrophobicContact CD2-CE 4.4Å; L189-M193 HydrophobicContact CD2-SD 3.59Å; L189-M193 VanDerWaalsContact CD2-SD 3.59Å; L189-M193 HydrophobicContact CG-CE 4.42Å; L189-M193 HydrophobicContact CG-SD 4.09Å; L189-M222 HydrophobicContact CB-CE 3.58Å; L189-M222 HydrophobicContact CB-SD 3.98Å; L189-M222 HydrophobicContact CD1-CE 4.21Å; L189-M222 VanDerWaalsContact O-SD 3.41Å; L189-W228 HydrophobicContact CD1-CH2 4.13Å; L189-E247 HydrophobicContact CD2-CB 4.18Å; L189-E247 HydrophobicContact CD2-CG 4.01Å; L189-E247 WeakPolarHBondContact CD2-OE2 3.21Å |
| 190 | T | 53.4 | Low | 55.2 | Low | 98 Ų | 98 | 87.3 Ų | 87.3 | 60% | 0.601 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 139.9 | -171.5 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | A188 G192 M193 | A188-T190 PolarHBondContact O-N 2.74Å; T190-G192 PolarHBondContact O-N 3.21Å; T190-M193 WeakPolarHBondContact O-CB 3.46Å; T190-M193 WeakPolarHBondContact O-CG 3.34Å; T190-M193 PolarHBondContact O-N 3.14Å |
| 191 | T | 61.2 | Low | 57.3 | Low | 99 Ų | 99 | 82.8 Ų | 82.8 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 128 | 168.5 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | L220 | T191-L220 WeakPolarHBondContact CG2-O 3.27Š|
| 192 | G | 65.1 | Low | 59.2 | Low | 51 Ų | 51 | 82.5 Ų | 82.5 | 53% | 0.526 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | 1.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T190 I219 | T190-G192 PolarHBondContact O-N 3.21Å; G192-I219 WeakPolarHBondContact CA-O 3.46Å; G192-I219 PolarHBondContact N-O 3.2Å |
| 193 | M | 78.1 | Confident | 61.3 | Low | 15 Ų | 15 | 76.5 Ų | 76.5 | 7% | 0.074 | 45% | 0.448 | C | S | . | . | trans | -68.9 | 147.7 | 174.5 | 66.9 | 177.9 | -177 | 0 | 0 | 113.1 | L189 T190 V195 I219 M222 W228 | L189-M193 HydrophobicContact CB-CE 3.98Å; L189-M193 HydrophobicContact CB-SD 3.7Å; L189-M193 HydrophobicContact CD1-CE 4.22Å; L189-M193 HydrophobicContact CD1-SD 4.45Å; L189-M193 HydrophobicContact CD2-CE 4.4Å; L189-M193 HydrophobicContact CD2-SD 3.59Å; L189-M193 VanDerWaalsContact CD2-SD 3.59Å; L189-M193 HydrophobicContact CG-CE 4.42Å; L189-M193 HydrophobicContact CG-SD 4.09Å; T190-M193 WeakPolarHBondContact O-CB 3.46Å; T190-M193 WeakPolarHBondContact O-CG 3.34Å; T190-M193 PolarHBondContact O-N 3.14Å; M193-V195 HydrophobicContact CE-CG1 3.86Å; M193-V195 HydrophobicContact CG-CG1 4.18Å; M193-V195 HydrophobicContact SD-CG1 4.19Å; M193-I219 HydrophobicContact CE-CB 4.16Å; M193-I219 HydrophobicContact CE-CG1 3.66Å; M193-I219 HydrophobicContact CE-CG2 4.24Å; M193-I219 HydrophobicContact CG-CB 3.85Å; M193-I219 HydrophobicContact CG-CG1 3.82Å; M193-I219 PolarHBondContact O-N 3.34Å; M193-M222 HydrophobicContact CE-CE 3.62Å; M193-M222 HydrophobicContact CE-SD 3.57Å; M193-M222 VanDerWaalsContact CE-SD 3.57Å; M193-M222 HydrophobicContact SD-SD 4.38Å; M193-W228 HydrophobicContact CE-CE3 3.89Å; M193-W228 HydrophobicContact CE-CH2 3.85Å; M193-W228 HydrophobicContact CE-CZ3 3.47Å; M193-W228 VanDerWaalsContact CE-CZ3 3.47Å | ||
| 194 | T | 83 | Confident | 62.6 | Low | 54 Ų | 54 | 74.8 Ų | 74.8 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.6 | 168.8 | -55.3 | 0 | 0 | 0 | 0 | 109.4 | E216 Y217 A248 | T194-E216 HydrophobicContact CG2-CB 3.95Å; T194-E216 HydrophobicContact CG2-CG 4.02Å; T194-Y217 WeakPolarHBondContact CA-O 3.46Å; T194-A248 HydrophobicContact CG2-CB 4.34Å; T194-A248 VanDerWaalsContact O-CB 3.23Å; T194-A248 WeakPolarHBondContact O-CB 3.47Å; T194-A248 PolarHBondContact O-N 2.68Å |
| 195 | V | 82.9 | Confident | 64.3 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 153.7 | 175.6 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | M193 E216 Y217 I219 W228 V245 V246 | M193-V195 HydrophobicContact CE-CG1 3.86Å; M193-V195 HydrophobicContact CG-CG1 4.18Å; M193-V195 HydrophobicContact SD-CG1 4.19Å; V195-E216 CarbonylContact O-C 3.55Å; V195-E216 VanDerWaalsContact O-CA 3.31Å; V195-E216 WeakPolarHBondContact O-CA 3.41Å; V195-Y217 PolarHBondContact N-O 3.26Å; V195-Y217 PolarHBondContact O-N 3.21Å; V195-I219 HydrophobicContact CB-CG1 4.5Å; V195-I219 HydrophobicContact CG1-CD1 4.18Å; V195-I219 HydrophobicContact CG1-CG1 3.68Å; V195-I219 HydrophobicContact CG2-CD1 3.63Å; V195-I219 HydrophobicContact CG2-CG1 3.98Å; V195-W228 HydrophobicContact CG1-CZ3 4.35Å; V195-V245 HydrophobicContact CB-CB 3.92Å; V195-V245 HydrophobicContact CB-CG2 4.21Å; V195-V245 HydrophobicContact CG2-CB 3.69Å; V195-V245 HydrophobicContact CG2-CG1 3.98Å; V195-V245 HydrophobicContact CG2-CG2 3.92Å; V195-V246 CarbonylContact C-O 3.59Å; V195-V246 WeakPolarHBondContact CA-O 3.35Å; V195-V246 VanDerWaalsContact CB-O 3.31Å; V195-V246 WeakPolarHBondContact CB-O 3.43Å |
| 196 | V | 82.2 | Confident | 66.4 | Low | 35 Ų | 35 | 68.7 Ų | 68.7 | 21% | 0.212 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.1 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | E198 E215 E216 V245 V246 A248 | V196-E198 PolarHBondContact O-N 2.78Å; V196-E215 WeakPolarHBondContact CA-O 3.46Å; V196-E216 HydrophobicContact CG2-CG 4.06Å; V196-V245 CarbonylContact O-C 3.45Å; V196-V245 VanDerWaalsContact O-CA 3.25Å; V196-V245 WeakPolarHBondContact O-CA 3.18Å; V196-V246 HydrophobicContact CB-CG2 4.27Å; V196-V246 PolarHBondContact N-O 3.48Å; V196-V246 PolarHBondContact O-N 2.65Å; V196-A248 HydrophobicContact CG2-CB 4.24Å |
| 197 | A | 81.4 | Confident | 68.7 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 117 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L211 R212 D214 E215 Y217 Y244 V245 | A197-L211 HydrophobicContact CB-CB 4.03Å; A197-L211 HydrophobicContact CB-CD2 4.25Å; A197-R212 VanDerWaalsContact CB-O 3.27Å; A197-R212 WeakPolarHBondContact CB-O 3.37Å; A197-D214 PolarHBondContact O-N 3.11Å; A197-E215 PolarHBondContact N-O 3.02Å; A197-Y217 HydrophobicContact CB-CD2 4.21Å; A197-Y217 HydrophobicContact CB-CE2 3.74Å; A197-Y244 CarbonylContact C-O 3.55Å; A197-Y244 WeakPolarHBondContact CA-O 3.47Å; A197-V245 HydrophobicContact CB-CG1 4.34Å |
| 198 | E | 63.4 | Low | 71.1 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -78.7 | -28 | 175.9 | -167.6 | -176.9 | -177 | 0 | 0 | 111.4 | V196 Y244 | V196-E198 PolarHBondContact O-N 2.78Å; E198-Y244 PolarHBondContact N-O 2.95Å |
| 199 | Y | 68.3 | Low | 73.5 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -133.5 | 152.5 | -176.9 | -54.2 | -83.5 | 0 | 0 | 0 | 111.8 | Y244 A359 P360 | Y199-Y244 HydrophobicContact CD2-CG 4.46Å; Y199-A359 HydrophobicContact CD1-CB 4.1Å; Y199-A359 HydrophobicContact CG-CB 4.05Å; Y199-P360 HydrophobicContact CD2-CG 3.87Å; Y199-P360 HydrophobicContact CE2-CG 3.63Å; Y199-P360 VanDerWaalsContact CZ-CD 3.45Å |
| 200 | E | 77.6 | Confident | 75.5 | Confident | 147 Ų | 147 | 57 Ų | 57 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | trans | -73.2 | 135.5 | 170.2 | -62.7 | -179.5 | 177.1 | 0 | 0 | 110.3 | L211 K213 Y244 | E200-L211 CarbonylContact C-O 3.59Å; E200-L211 VanDerWaalsContact CA-O 3.31Å; E200-L211 WeakPolarHBondContact CA-O 3.22Å; E200-K213 HydrophobicContact CG-CB 3.87Å; E200-Y244 WeakPolarHBondContact O-CE1 3.38Å | ||
| 201 | Y | 79.4 | Confident | 77.1 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -130.6 | 120.7 | 175.8 | 175.5 | -104.9 | 0 | 0 | 0 | 110.4 | S204 D208 L209 E210 L211 W227 P241 Y244 T362 | Y201-S204 WeakPolarHBondContact OH-CB 3.38Å; Y201-S204 PolarHBondContact OH-N 3.48Å; Y201-S204 PolarHBondContact OH-OG 3.11Å; Y201-S204 VanDerWaalsContact OH-OG 3.12Å; Y201-D208 HydrophobicContact CE1-CB 3.84Å; Y201-D208 PolarHBondContact OH-OD2 3.31Å; Y201-L209 VanDerWaalsContact CD1-O 3.29Å; Y201-L209 WeakPolarHBondContact CD1-O 3.33Å; Y201-E210 WeakPolarHBondContact O-CA 3.09Å; Y201-L211 PolarHBondContact N-O 3.1Å; Y201-L211 PolarHBondContact O-N 2.84Å; Y201-W227 HydrophobicContact CE1-CH2 4.5Å; Y201-W227 HydrophobicContact CE1-CZ3 4.24Å; Y201-W227 HydrophobicContact CE2-CH2 4.18Å; Y201-W227 AromaticContact CZ-CH2 3.77Å; Y201-W227 AromaticContact CZ-CZ3 3.96Å; Y201-W227 WeakPolarHBondContact OH-CH2 3.46Å; Y201-P241 HydrophobicContact CD1-CG 4.21Å; Y201-P241 HydrophobicContact CD2-CG 3.7Å; Y201-P241 HydrophobicContact CE1-CG 4.38Å; Y201-P241 HydrophobicContact CE2-CG 3.9Å; Y201-P241 HydrophobicContact CG-CG 3.89Å; Y201-Y244 HydrophobicContact CD2-CE1 4.07Å; Y201-Y244 HydrophobicContact CG-CD1 4.46Å; Y201-Y244 HydrophobicContact CG-CE1 4.4Å; Y201-T362 HydrophobicContact CD2-CG2 4.03Å; Y201-T362 HydrophobicContact CE2-CG2 3.87Å |
| 202 | T | 78.6 | Confident | 78.3 | Confident | 115 Ų | 115 | 52.9 Ų | 52.9 | 71% | 0.706 | 30% | 0.296 | S | S | * | . | trans | -89.2 | 126.2 | 172.4 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | S204 | T202-S204 PolarHBondContact O-N 2.91Š| ||
| 203 | P | 79.4 | Confident | 78.9 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 31% | 0.312 | 29% | 0.289 | S | S | . | . | trans | -51.2 | 122.9 | 179.3 | -29.7 | 36.8 | 0 | 0 | 0 | 112.4 | D208 E210 | P203-D208 HydrophobicContact CB-CB 4.07Å; P203-E210 HydrophobicContact CG-CB 3.92Å | ||
| 204 | S | 64.9 | Low | 78.8 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -88.7 | -27.3 | 178 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | Y201 T202 D208 | Y201-S204 WeakPolarHBondContact OH-CB 3.38Å; Y201-S204 PolarHBondContact OH-N 3.48Å; Y201-S204 PolarHBondContact OH-OG 3.11Å; Y201-S204 VanDerWaalsContact OH-OG 3.12Å; T202-S204 PolarHBondContact O-N 2.91Å; S204-D208 PolarHBondContact N-OD2 3.01Å; S204-D208 VanDerWaalsContact N-OD2 3.09Å |
| 205 | T | 68.6 | Low | 78.9 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -125.8 | 160.5 | 174.4 | 85.7 | 0 | 0 | 0 | 0 | 110.9 | Q207 D208 V369 | T205-Q207 PolarHBondContact O-N 3Å; T205-Q207 VanDerWaalsContact O-N 3.12Å; T205-Q207 PolarHBondContact OG1-N 3Å; T205-D208 PolarHBondContact N-OD2 3.38Å; T205-D208 PolarHBondContact O-N 2.92Å; T205-D208 VanDerWaalsContact O-N 3.11Å; T205-D208 PolarHBondContact OG1-OD1 3.43Å; T205-D208 PolarHBondContact OG1-OD2 2.88Å; T205-V369 HydrophobicContact CG2-CG2 4.47Å |
| 206 | P | 75.2 | Confident | 79.2 | Confident | 142 Ų | 142 | 64.6 Ų | 64.6 | 92% | 0.922 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.2 | 174.4 | -21.6 | 33.4 | 0 | 0 | 0 | 114.5 | ||
| 207 | Q | 79.1 | Confident | 79.6 | Confident | 119 Ų | 119 | 63.1 Ų | 63.1 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -11.2 | 179.1 | -59.9 | 178.2 | 0.7 | 0 | 0 | 111.9 | T205 G238 Y239 | T205-Q207 PolarHBondContact O-N 3Å; T205-Q207 VanDerWaalsContact O-N 3.12Å; T205-Q207 PolarHBondContact OG1-N 3Å; Q207-G238 CarbonylContact O-C 3.5Å; Q207-G238 VanDerWaalsContact O-CA 3.28Å; Q207-G238 WeakPolarHBondContact O-CA 3.24Å; Q207-Y239 HydrophobicContact CB-CD2 4.24Å; Q207-Y239 PolarHBondContact O-N 3.36Å |
| 208 | D | 84.8 | Confident | 80 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -87.5 | 150.7 | -177 | -47.4 | -23.3 | 0 | 0 | 0 | 111.2 | Y201 P203 S204 T205 W227 Y239 | Y201-D208 HydrophobicContact CE1-CB 3.84Å; Y201-D208 PolarHBondContact OH-OD2 3.31Å; P203-D208 HydrophobicContact CB-CB 4.07Å; S204-D208 PolarHBondContact N-OD2 3.01Å; S204-D208 VanDerWaalsContact N-OD2 3.09Å; T205-D208 PolarHBondContact N-OD2 3.38Å; T205-D208 PolarHBondContact O-N 2.92Å; T205-D208 VanDerWaalsContact O-N 3.11Å; T205-D208 PolarHBondContact OG1-OD1 3.43Å; T205-D208 PolarHBondContact OG1-OD2 2.88Å; D208-W227 HydrophobicContact CB-CZ3 4.5Å; D208-Y239 CarbonylContact C-O 3.55Å; D208-Y239 VanDerWaalsContact CA-O 3.25Å; D208-Y239 WeakPolarHBondContact CA-O 3.44Å; D208-Y239 WeakPolarHBondContact CB-O 3.39Å |
| 209 | L | 89.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 140 | 176.3 | -179.8 | 67.9 | 0 | 0 | 0 | 109.9 | Y201 Y217 A230 D232 K236 Y239 I240 | Y201-L209 VanDerWaalsContact CD1-O 3.29Å; Y201-L209 WeakPolarHBondContact CD1-O 3.33Å; L209-Y217 HydrophobicContact CD2-CD1 3.9Å; L209-Y217 HydrophobicContact CD2-CE1 4.09Å; L209-Y217 HydrophobicContact CG-CE1 4.45Å; L209-A230 HydrophobicContact CD2-CB 4.25Å; L209-D232 HydrophobicContact CD1-CB 4.42Å; L209-D232 HydrophobicContact CD2-CB 4.32Å; L209-K236 HydrophobicContact CD1-CB 4.04Å; L209-K236 HydrophobicContact CD1-CD 3.78Å; L209-K236 HydrophobicContact CD1-CG 3.81Å; L209-Y239 PolarHBondContact N-O 3.42Å; L209-I240 HydrophobicContact CB-CG2 3.66Å; L209-I240 HydrophobicContact CD2-CG2 4Å; L209-I240 HydrophobicContact CG-CG2 4.13Å |
| 210 | E | 90.1 | Very high | 82.1 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 129.4 | 178.5 | -177 | -171.3 | 156.7 | 0 | 0 | 109.9 | Y201 P203 R212 Y217 | Y201-E210 WeakPolarHBondContact O-CA 3.09Å; P203-E210 HydrophobicContact CG-CB 3.92Å; E210-R212 IonicContact OE1-CZ 3.68Å; E210-R212 IonicContact OE1-NE 2.68Å; E210-R212 PolarHBondContact OE1-NE 2.82Å; E210-R212 IonicContact OE1-NH2 2.78Å; E210-R212 PolarHBondContact OE1-NH2 3.24Å; E210-R212 IonicContact OE2-NH2 2.76Å; E210-Y217 WeakPolarHBondContact O-CE1 3.2Å; E210-Y217 PolarHBondContact O-OH 2.85Å |
| 211 | L | 87.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 130.5 | 168.3 | -60.6 | 175.9 | 0 | 0 | 0 | 110.1 | A197 E200 Y201 Y217 I240 Y244 V245 | A197-L211 HydrophobicContact CB-CB 4.03Å; A197-L211 HydrophobicContact CB-CD2 4.25Å; E200-L211 CarbonylContact C-O 3.59Å; E200-L211 VanDerWaalsContact CA-O 3.31Å; E200-L211 WeakPolarHBondContact CA-O 3.22Å; Y201-L211 PolarHBondContact N-O 3.1Å; Y201-L211 PolarHBondContact O-N 2.84Å; L211-Y217 VanDerWaalsContact CA-OH 3.3Å; L211-Y217 WeakPolarHBondContact CA-OH 3.32Å; L211-Y217 HydrophobicContact CD2-CD1 4.02Å; L211-Y217 HydrophobicContact CD2-CD2 3.77Å; L211-Y217 HydrophobicContact CD2-CE1 3.78Å; L211-Y217 HydrophobicContact CD2-CE2 3.56Å; L211-Y217 HydrophobicContact CD2-CG 4.02Å; L211-I240 HydrophobicContact CD1-CB 4.14Å; L211-I240 HydrophobicContact CD2-CB 3.95Å; L211-I240 HydrophobicContact CD2-CD1 4Å; L211-I240 HydrophobicContact CD2-CG2 3.58Å; L211-I240 HydrophobicContact CG-CB 4.17Å; L211-I240 HydrophobicContact CG-CG2 4.01Å; L211-Y244 HydrophobicContact CD1-CD1 4.23Å; L211-Y244 HydrophobicContact CD1-CG 4.21Å; L211-V245 HydrophobicContact CD1-CG1 3.8Å; L211-V245 HydrophobicContact CD2-CG1 4.01Å |
| 212 | R | 85.6 | Confident | 82.2 | Confident | 109 Ų | 109 | 63.2 Ų | 63.2 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | trans | -110.2 | 129.4 | 169.8 | -68.9 | -177.8 | -179.9 | 179.5 | 3.6 | 108.2 | A197 E210 D214 E215 Y217 | A197-R212 VanDerWaalsContact CB-O 3.27Å; A197-R212 WeakPolarHBondContact CB-O 3.37Å; E210-R212 IonicContact OE1-CZ 3.68Å; E210-R212 IonicContact OE1-NE 2.68Å; E210-R212 PolarHBondContact OE1-NE 2.82Å; E210-R212 IonicContact OE1-NH2 2.78Å; E210-R212 PolarHBondContact OE1-NH2 3.24Å; E210-R212 IonicContact OE2-NH2 2.76Å; R212-D214 PolarHBondContact O-N 2.76Å; R212-E215 HydrophobicContact CB-CB 4.29Å; R212-E215 HydrophobicContact CB-CG 3.77Å; R212-E215 WeakPolarHBondContact O-CB 3.48Å; R212-E215 PolarHBondContact O-N 2.97Å; R212-E215 VanDerWaalsContact O-N 3.08Å; R212-Y217 PolarHBondContact N-OH 3.37Å | ||
| 213 | K | 77.9 | Confident | 81.3 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 39% | 0.391 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 137.6 | -178.3 | -176.5 | 179.2 | 176 | -172.7 | 0 | 110.8 | E200 E215 | E200-K213 HydrophobicContact CG-CB 3.87Å; K213-E215 PolarHBondContact O-N 2.82Å |
| 214 | D | 75.8 | Confident | 80.4 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 8.6 | -179.6 | -49.2 | -43.6 | 0 | 0 | 0 | 115 | A197 R212 | A197-D214 PolarHBondContact O-N 3.11Å; R212-D214 PolarHBondContact O-N 2.76Å |
| 215 | E | 86 | Confident | 79.9 | Confident | 39 Ų | 39 | 62.6 Ų | 62.6 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | trans | -88.9 | 151.2 | 172.4 | -64.3 | -158.2 | 178.5 | 0 | 0 | 112.9 | V196 A197 R212 K213 Y217 K233 | V196-E215 WeakPolarHBondContact CA-O 3.46Å; A197-E215 PolarHBondContact N-O 3.02Å; R212-E215 HydrophobicContact CB-CB 4.29Å; R212-E215 HydrophobicContact CB-CG 3.77Å; R212-E215 WeakPolarHBondContact O-CB 3.48Å; R212-E215 PolarHBondContact O-N 2.97Å; R212-E215 VanDerWaalsContact O-N 3.08Å; K213-E215 PolarHBondContact O-N 2.82Å; E215-Y217 HydrophobicContact CB-CE2 3.86Å; E215-Y217 WeakPolarHBondContact O-CD2 3.46Å; E215-Y217 WeakPolarHBondContact O-CE2 3.36Å; E215-K233 IonicContact OE1-NZ 3.48Å; E215-K233 PolarHBondContact OE1-NZ 2.68Å; E215-K233 WeakPolarHBondContact OE2-CE 3.3Å; E215-K233 IonicContact OE2-NZ 2.62Å; E215-K233 PolarHBondContact OE2-NZ 2.87Å | ||
| 216 | E | 88.9 | Confident | 79.6 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 59% | 0.589 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 141.2 | 179.3 | -72.5 | 178.2 | -169.2 | 0 | 0 | 112.6 | T194 V195 V196 | T194-E216 HydrophobicContact CG2-CB 3.95Å; T194-E216 HydrophobicContact CG2-CG 4.02Å; V195-E216 CarbonylContact O-C 3.55Å; V195-E216 VanDerWaalsContact O-CA 3.31Å; V195-E216 WeakPolarHBondContact O-CA 3.41Å; V196-E216 HydrophobicContact CG2-CG 4.06Å |
| 217 | Y | 90.6 | Very high | 79.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.7 | 178.5 | -62.2 | -95.3 | 0 | 0 | 0 | 110 | T194 V195 A197 L209 E210 L211 R212 E215 R231 D232 | T194-Y217 WeakPolarHBondContact CA-O 3.46Å; V195-Y217 PolarHBondContact N-O 3.26Å; V195-Y217 PolarHBondContact O-N 3.21Å; A197-Y217 HydrophobicContact CB-CD2 4.21Å; A197-Y217 HydrophobicContact CB-CE2 3.74Å; L209-Y217 HydrophobicContact CD2-CD1 3.9Å; L209-Y217 HydrophobicContact CD2-CE1 4.09Å; L209-Y217 HydrophobicContact CG-CE1 4.45Å; E210-Y217 WeakPolarHBondContact O-CE1 3.2Å; E210-Y217 PolarHBondContact O-OH 2.85Å; L211-Y217 VanDerWaalsContact CA-OH 3.3Å; L211-Y217 WeakPolarHBondContact CA-OH 3.32Å; L211-Y217 HydrophobicContact CD2-CD1 4.02Å; L211-Y217 HydrophobicContact CD2-CD2 3.77Å; L211-Y217 HydrophobicContact CD2-CE1 3.78Å; L211-Y217 HydrophobicContact CD2-CE2 3.56Å; L211-Y217 HydrophobicContact CD2-CG 4.02Å; R212-Y217 PolarHBondContact N-OH 3.37Å; E215-Y217 HydrophobicContact CB-CE2 3.86Å; E215-Y217 WeakPolarHBondContact O-CD2 3.46Å; E215-Y217 WeakPolarHBondContact O-CE2 3.36Å; Y217-R231 WeakPolarHBondContact CA-O 3.32Å; Y217-D232 HydrophobicContact CD1-CB 4Å; Y217-D232 HydrophobicContact CE1-CB 3.76Å |
| 218 | I | 90.1 | Very high | 79.9 | Confident | 76 Ų | 76 | 51.3 Ų | 51.3 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124.4 | 177.2 | -59.1 | 172.3 | 0 | 0 | 0 | 108.7 | L220 A230 R231 | I218-L220 PolarHBondContact O-N 3.46Å; I218-A230 CarbonylContact O-C 3.53Å; I218-A230 VanDerWaalsContact O-CA 3.26Å; I218-A230 WeakPolarHBondContact O-CA 3.29Å; I218-R231 PolarHBondContact N-O 3.35Å; I218-R231 PolarHBondContact O-N 3.08Å |
| 219 | I | 90.7 | Very high | 80 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 119.9 | 178.7 | -57 | -52.9 | 0 | 0 | 0 | 110.3 | G192 M193 V195 M222 W228 A230 I240 | G192-I219 WeakPolarHBondContact CA-O 3.46Å; G192-I219 PolarHBondContact N-O 3.2Å; M193-I219 HydrophobicContact CE-CB 4.16Å; M193-I219 HydrophobicContact CE-CG1 3.66Å; M193-I219 HydrophobicContact CE-CG2 4.24Å; M193-I219 HydrophobicContact CG-CB 3.85Å; M193-I219 HydrophobicContact CG-CG1 3.82Å; M193-I219 PolarHBondContact O-N 3.34Å; V195-I219 HydrophobicContact CB-CG1 4.5Å; V195-I219 HydrophobicContact CG1-CD1 4.18Å; V195-I219 HydrophobicContact CG1-CG1 3.68Å; V195-I219 HydrophobicContact CG2-CD1 3.63Å; V195-I219 HydrophobicContact CG2-CG1 3.98Å; I219-M222 HydrophobicContact CG2-CG 3.47Å; I219-M222 VanDerWaalsContact CG2-CG 3.47Å; I219-M222 HydrophobicContact CG2-SD 4.11Å; I219-W228 HydrophobicContact CD1-CB 4.16Å; I219-W228 HydrophobicContact CD1-CE3 3.83Å; I219-W228 HydrophobicContact CG1-CE3 4.12Å; I219-W228 HydrophobicContact CG2-CB 4.28Å; I219-A230 HydrophobicContact CD1-CB 3.81Å; I219-I240 HydrophobicContact CD1-CD1 3.93Å |
| 220 | L | 85.3 | Confident | 80.1 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -36.8 | -178.5 | -58.4 | -179.8 | 0 | 0 | 0 | 112.6 | T191 I218 R229 R231 E237 | T191-L220 WeakPolarHBondContact CG2-O 3.27Å; I218-L220 PolarHBondContact O-N 3.46Å; L220-R229 HydrophobicContact CB-CG 4.47Å; L220-R229 WeakPolarHBondContact CB-O 3.4Å; L220-R229 PolarHBondContact N-O 3.25Å; L220-R231 HydrophobicContact CD1-CB 4.01Å; L220-R231 HydrophobicContact CD2-CB 4.28Å; L220-R231 HydrophobicContact CG-CB 4.18Å; L220-E237 HydrophobicContact CD1-CB 4.4Å; L220-E237 VanDerWaalsContact CD1-CD 3.4Å; L220-E237 HydrophobicContact CD1-CG 3.73Å; L220-E237 WeakPolarHBondContact CD1-OE1 3.38Å |
| 221 | E | 83 | Confident | 80.3 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 136.7 | 179.7 | -59.6 | 174.1 | -147.4 | 0 | 0 | 110.8 | R229 | E221-R229 HydrophobicContact CB-CB 3.94Å; E221-R229 HydrophobicContact CG-CB 4.47Å; E221-R229 PolarHBondContact N-O 2.88Å; E221-R229 PolarHBondContact O-N 3.21Å; E221-R229 IonicContact OE1-CZ 3.26Å; E221-R229 IonicContact OE1-NH1 3.1Å; E221-R229 PolarHBondContact OE1-NH1 3.09Å |
| 222 | M | 74.6 | Confident | 80.6 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | trans | -117.5 | 41 | 177 | -58.9 | -179.2 | 68.5 | 0 | 0 | 111.1 | L189 M193 I219 D224 W228 | L189-M222 HydrophobicContact CB-CE 3.58Å; L189-M222 HydrophobicContact CB-SD 3.98Å; L189-M222 HydrophobicContact CD1-CE 4.21Å; L189-M222 VanDerWaalsContact O-SD 3.41Å; M193-M222 HydrophobicContact CE-CE 3.62Å; M193-M222 HydrophobicContact CE-SD 3.57Å; M193-M222 VanDerWaalsContact CE-SD 3.57Å; M193-M222 HydrophobicContact SD-SD 4.38Å; I219-M222 HydrophobicContact CG2-CG 3.47Å; I219-M222 VanDerWaalsContact CG2-CG 3.47Å; I219-M222 HydrophobicContact CG2-SD 4.11Å; M222-D224 VanDerWaalsContact C-N 3.26Å; M222-D224 PolarHBondContact O-N 3.34Å; M222-W228 HydrophobicContact CE-CD2 4.23Å; M222-W228 HydrophobicContact CE-CH2 4.07Å; M222-W228 HydrophobicContact CE-CZ2 3.55Å; M222-W228 HydrophobicContact CG-CG 4.43Å | ||
| 223 | S | 61.5 | Low | 80.7 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 60% | 0.601 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -70.1 | -23.4 | -177 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 224 | D | 60.4 | Low | 81.3 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -116.4 | 140.3 | 172.6 | -169.9 | -71.4 | 0 | 0 | 0 | 109.4 | M222 N226 W227 W228 Y367 | M222-D224 VanDerWaalsContact C-N 3.26Å; M222-D224 PolarHBondContact O-N 3.34Å; D224-N226 PolarHBondContact O-N 3.04Å; D224-N226 WeakPolarHBondContact OD1-CA 3.47Å; D224-N226 VanDerWaalsContact OD1-CB 3.25Å; D224-N226 WeakPolarHBondContact OD1-CB 3.42Å; D224-N226 PolarHBondContact OD1-N 3.44Å; D224-N226 PolarHBondContact OD1-ND2 3.17Å; D224-W227 PolarHBondContact OD1-N 3.49Å; D224-W228 PolarHBondContact O-NE1 3.39Å; D224-Y367 HydrophobicContact CB-CD2 4.47Å; D224-Y367 HydrophobicContact CB-CE2 3.79Å |
| 225 | S | 53.6 | Low | 81.7 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 63% | 0.629 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -67.4 | -14.2 | -179.6 | 54 | 0 | 0 | 0 | 0 | 113.5 | S242 | S225-S242 PolarHBondContact O-OG 3.34Š|
| 226 | N | 61.2 | Low | 82 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -121.2 | -30.6 | -166.9 | -52.2 | -66.2 | 0 | 0 | 0 | 114.5 | D224 S242 A363 R428 | D224-N226 PolarHBondContact O-N 3.04Å; D224-N226 WeakPolarHBondContact OD1-CA 3.47Å; D224-N226 VanDerWaalsContact OD1-CB 3.25Å; D224-N226 WeakPolarHBondContact OD1-CB 3.42Å; D224-N226 PolarHBondContact OD1-N 3.44Å; D224-N226 PolarHBondContact OD1-ND2 3.17Å; N226-S242 VanDerWaalsContact C-OG 3.26Å; N226-S242 WeakPolarHBondContact CA-OG 3.28Å; N226-S242 WeakPolarHBondContact O-CB 2.96Å; N226-S242 PolarHBondContact O-N 2.75Å; N226-S242 PolarHBondContact O-OG 3.31Å; N226-A363 HydrophobicContact CB-CB 3.63Å; N226-R428 VanDerWaalsContact ND2-CZ 3.32Å; N226-R428 WeakPolarHBondContact OD1-CD 3.3Å; N226-R428 VanDerWaalsContact OD1-CZ 3.23Å; N226-R428 PolarHBondContact OD1-NE 3.35Å; N226-R428 PolarHBondContact OD1-NH1 3.12Å |
| 227 | W | 76.1 | Confident | 82.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 111.8 | 177.9 | -71.1 | 90.3 | 0 | 0 | 0 | 108.7 | Y201 D208 D224 Y239 I240 P241 A363 G366 Y367 | Y201-W227 HydrophobicContact CE1-CH2 4.5Å; Y201-W227 HydrophobicContact CE1-CZ3 4.24Å; Y201-W227 HydrophobicContact CE2-CH2 4.18Å; Y201-W227 AromaticContact CZ-CH2 3.77Å; Y201-W227 AromaticContact CZ-CZ3 3.96Å; Y201-W227 WeakPolarHBondContact OH-CH2 3.46Å; D208-W227 HydrophobicContact CB-CZ3 4.5Å; D224-W227 PolarHBondContact OD1-N 3.49Å; W227-Y239 HydrophobicContact CB-CD1 4.26Å; W227-I240 CarbonylContact C-O 3.59Å; W227-I240 WeakPolarHBondContact CA-O 3.45Å; W227-P241 HydrophobicContact CE3-CG 4.43Å; W227-P241 HydrophobicContact CH2-CG 3.9Å; W227-P241 HydrophobicContact CZ3-CG 3.84Å; W227-A363 PolarHBondContact NE1-O 3.13Å; W227-A363 VanDerWaalsContact NE1-O 3.16Å; W227-G366 VanDerWaalsContact CZ2-CA 3.4Å; W227-Y367 HydrophobicContact CB-CD2 3.7Å; W227-Y367 HydrophobicContact CB-CG 4.29Å; W227-Y367 HydrophobicContact CG-CD2 4.04Å; W227-Y367 HydrophobicContact CG-CG 4.48Å |
| 228 | W | 84.8 | Confident | 82.1 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 140.6 | 178.8 | -61.1 | -17.4 | 0 | 0 | 0 | 109.2 | L189 M193 V195 I219 M222 D224 A230 Y239 I240 S242 V245 | L189-W228 HydrophobicContact CD1-CH2 4.13Å; M193-W228 HydrophobicContact CE-CE3 3.89Å; M193-W228 HydrophobicContact CE-CH2 3.85Å; M193-W228 HydrophobicContact CE-CZ3 3.47Å; M193-W228 VanDerWaalsContact CE-CZ3 3.47Å; V195-W228 HydrophobicContact CG1-CZ3 4.35Å; I219-W228 HydrophobicContact CD1-CB 4.16Å; I219-W228 HydrophobicContact CD1-CE3 3.83Å; I219-W228 HydrophobicContact CG1-CE3 4.12Å; I219-W228 HydrophobicContact CG2-CB 4.28Å; M222-W228 HydrophobicContact CE-CD2 4.23Å; M222-W228 HydrophobicContact CE-CH2 4.07Å; M222-W228 HydrophobicContact CE-CZ2 3.55Å; M222-W228 HydrophobicContact CG-CG 4.43Å; D224-W228 PolarHBondContact O-NE1 3.39Å; W228-A230 PolarHBondContact O-N 2.86Å; W228-Y239 CarbonylContact O-C 3.6Å; W228-Y239 WeakPolarHBondContact O-CA 3.5Å; W228-I240 HydrophobicContact CB-CG1 4.32Å; W228-I240 PolarHBondContact N-O 2.89Å; W228-I240 WeakPolarHBondContact O-CG1 2.94Å; W228-I240 PolarHBondContact O-N 3.08Å; W228-S242 VanDerWaalsContact CD2-CB 3.49Å; W228-S242 VanDerWaalsContact CZ2-CB 3.45Å; W228-V245 HydrophobicContact CE3-CG2 3.85Å; W228-V245 HydrophobicContact CZ3-CG2 3.71Å |
| 229 | R | 87.6 | Confident | 81.9 | Confident | 78 Ų | 78 | 57.3 Ų | 57.3 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 118.1 | 169.8 | -167.7 | 179.1 | 172.7 | 179.6 | -0.3 | 107.2 | L220 E221 E237 G238 Y239 | L220-R229 HydrophobicContact CB-CG 4.47Å; L220-R229 WeakPolarHBondContact CB-O 3.4Å; L220-R229 PolarHBondContact N-O 3.25Å; E221-R229 HydrophobicContact CB-CB 3.94Å; E221-R229 HydrophobicContact CG-CB 4.47Å; E221-R229 PolarHBondContact N-O 2.88Å; E221-R229 PolarHBondContact O-N 3.21Å; E221-R229 IonicContact OE1-CZ 3.26Å; E221-R229 IonicContact OE1-NH1 3.1Å; E221-R229 PolarHBondContact OE1-NH1 3.09Å; R229-E237 IonicContact CZ-OE2 2.82Å; R229-E237 IonicContact NE-OE2 3.72Å; R229-E237 IonicContact NH2-OE2 3.17Å; R229-E237 PolarHBondContact NH2-OE2 3.36Å; R229-G238 WeakPolarHBondContact CA-O 3.34Å; R229-Y239 HydrophobicContact CB-CD1 4.31Å; R229-Y239 HydrophobicContact CB-CE1 4.1Å |
| 230 | A | 92 | Very high | 81.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 163.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L209 I218 I219 W228 E237 G238 I240 | L209-A230 HydrophobicContact CD2-CB 4.25Å; I218-A230 CarbonylContact O-C 3.53Å; I218-A230 VanDerWaalsContact O-CA 3.26Å; I218-A230 WeakPolarHBondContact O-CA 3.29Å; I219-A230 HydrophobicContact CD1-CB 3.81Å; W228-A230 PolarHBondContact O-N 2.86Å; A230-E237 VanDerWaalsContact O-CA 3.32Å; A230-E237 WeakPolarHBondContact O-CA 3.4Å; A230-G238 PolarHBondContact N-O 3.2Å; A230-G238 PolarHBondContact O-N 3.16Å; A230-G238 VanDerWaalsContact O-N 3.11Å; A230-I240 HydrophobicContact CB-CD1 3.42Å; A230-I240 VanDerWaalsContact CB-CD1 3.42Å; A230-I240 HydrophobicContact CB-CG1 3.65Å; A230-I240 HydrophobicContact CB-CG2 4.11Å |
| 231 | R | 93.3 | Very high | 81.3 | Confident | 94 Ų | 94 | 55.5 Ų | 55.5 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.1 | 173.1 | -168.1 | -175.9 | -70.9 | 159.2 | -0.2 | 109.8 | Y217 I218 L220 K236 E237 | Y217-R231 WeakPolarHBondContact CA-O 3.32Å; I218-R231 PolarHBondContact N-O 3.35Å; I218-R231 PolarHBondContact O-N 3.08Å; L220-R231 HydrophobicContact CD1-CB 4.01Å; L220-R231 HydrophobicContact CD2-CB 4.28Å; L220-R231 HydrophobicContact CG-CB 4.18Å; R231-K236 VanDerWaalsContact CA-O 3.31Å; R231-K236 WeakPolarHBondContact CA-O 3.47Å; R231-E237 HydrophobicContact CB-CG 4.28Å; R231-E237 HydrophobicContact CG-CG 4.04Å; R231-E237 IonicContact CZ-OE1 3.81Å; R231-E237 VanDerWaalsContact CZ-OE1 3.29Å; R231-E237 IonicContact NE-OE1 2.88Å; R231-E237 PolarHBondContact NE-OE1 2.76Å; R231-E237 IonicContact NH2-OE1 2.66Å; R231-E237 PolarHBondContact NH2-OE1 3.08Å |
| 232 | D | 92.8 | Very high | 80.9 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | trans | -79.6 | 174.1 | 173 | 74.1 | 9.9 | 0 | 0 | 0 | 112.3 | L209 Y217 Y234 G235 K236 | L209-D232 HydrophobicContact CD1-CB 4.42Å; L209-D232 HydrophobicContact CD2-CB 4.32Å; Y217-D232 HydrophobicContact CD1-CB 4Å; Y217-D232 HydrophobicContact CE1-CB 3.76Å; D232-Y234 PolarHBondContact O-N 2.85Å; D232-Y234 VanDerWaalsContact O-N 3.15Å; D232-Y234 VanDerWaalsContact OD1-C 3.28Å; D232-Y234 VanDerWaalsContact OD1-CA 3.29Å; D232-Y234 WeakPolarHBondContact OD1-CA 3.39Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.36Å; D232-Y234 PolarHBondContact OD1-N 2.92Å; D232-G235 PolarHBondContact O-N 3.37Å; D232-G235 VanDerWaalsContact O-N 3.08Å; D232-G235 PolarHBondContact OD1-N 2.84Å; D232-K236 PolarHBondContact N-O 3.48Å; D232-K236 PolarHBondContact OD1-N 3.49Å; D232-K236 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 233 | K | 88.8 | Confident | 80.5 | Confident | 119 Ų | 119 | 53 Ų | 53 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.8 | 176.5 | 71.4 | -166.2 | -178.5 | -155 | 0 | 114.8 | E215 | E215-K233 IonicContact OE1-NZ 3.48Å; E215-K233 PolarHBondContact OE1-NZ 2.68Å; E215-K233 WeakPolarHBondContact OE2-CE 3.3Å; E215-K233 IonicContact OE2-NZ 2.62Å; E215-K233 PolarHBondContact OE2-NZ 2.87Å |
| 234 | Y | 89.6 | Confident | 80.9 | Confident | 165 Ų | 165 | 49.8 Ų | 49.8 | 65% | 0.647 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.3 | 178.3 | -55.2 | -69.9 | 0 | 0 | 0 | 112.5 | D232 | D232-Y234 PolarHBondContact O-N 2.85Å; D232-Y234 VanDerWaalsContact O-N 3.15Å; D232-Y234 VanDerWaalsContact OD1-C 3.28Å; D232-Y234 VanDerWaalsContact OD1-CA 3.29Å; D232-Y234 WeakPolarHBondContact OD1-CA 3.39Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.36Å; D232-Y234 PolarHBondContact OD1-N 2.92Å |
| 235 | G | 85.1 | Confident | 81.6 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 46% | 0.464 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 85.1 | 7.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D232 | D232-G235 PolarHBondContact O-N 3.37Å; D232-G235 VanDerWaalsContact O-N 3.08Å; D232-G235 PolarHBondContact OD1-N 2.84Å |
| 236 | K | 91.2 | Very high | 82.4 | Confident | 112 Ų | 112 | 45.2 Ų | 45.2 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | trans | -76.4 | 133.6 | 174.8 | -170.7 | -176.9 | 173.1 | -172.7 | 0 | 109.4 | L209 R231 D232 | L209-K236 HydrophobicContact CD1-CB 4.04Å; L209-K236 HydrophobicContact CD1-CD 3.78Å; L209-K236 HydrophobicContact CD1-CG 3.81Å; R231-K236 VanDerWaalsContact CA-O 3.31Å; R231-K236 WeakPolarHBondContact CA-O 3.47Å; D232-K236 PolarHBondContact N-O 3.48Å; D232-K236 PolarHBondContact OD1-N 3.49Å; D232-K236 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 237 | E | 93.4 | Very high | 82.9 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149.1 | 178.4 | -59.1 | -175.9 | 176.5 | 0 | 0 | 111.2 | L220 R229 A230 R231 | L220-E237 HydrophobicContact CD1-CB 4.4Å; L220-E237 VanDerWaalsContact CD1-CD 3.4Å; L220-E237 HydrophobicContact CD1-CG 3.73Å; L220-E237 WeakPolarHBondContact CD1-OE1 3.38Å; R229-E237 IonicContact CZ-OE2 2.82Å; R229-E237 IonicContact NE-OE2 3.72Å; R229-E237 IonicContact NH2-OE2 3.17Å; R229-E237 PolarHBondContact NH2-OE2 3.36Å; A230-E237 VanDerWaalsContact O-CA 3.32Å; A230-E237 WeakPolarHBondContact O-CA 3.4Å; R231-E237 HydrophobicContact CB-CG 4.28Å; R231-E237 HydrophobicContact CG-CG 4.04Å; R231-E237 IonicContact CZ-OE1 3.81Å; R231-E237 VanDerWaalsContact CZ-OE1 3.29Å; R231-E237 IonicContact NE-OE1 2.88Å; R231-E237 PolarHBondContact NE-OE1 2.76Å; R231-E237 IonicContact NH2-OE1 2.66Å; R231-E237 PolarHBondContact NH2-OE1 3.08Å |
| 238 | G | 88.4 | Confident | 82.3 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177 | -178.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q207 R229 A230 | Q207-G238 CarbonylContact O-C 3.5Å; Q207-G238 VanDerWaalsContact O-CA 3.28Å; Q207-G238 WeakPolarHBondContact O-CA 3.24Å; R229-G238 WeakPolarHBondContact CA-O 3.34Å; A230-G238 PolarHBondContact N-O 3.2Å; A230-G238 PolarHBondContact O-N 3.16Å; A230-G238 VanDerWaalsContact O-N 3.11Å |
| 239 | Y | 85.6 | Confident | 80.9 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135.5 | 178.5 | -67.9 | -84.2 | 0 | 0 | 0 | 111.2 | Q207 D208 L209 W227 W228 R229 Y367 | Q207-Y239 HydrophobicContact CB-CD2 4.24Å; Q207-Y239 PolarHBondContact O-N 3.36Å; D208-Y239 CarbonylContact C-O 3.55Å; D208-Y239 VanDerWaalsContact CA-O 3.25Å; D208-Y239 WeakPolarHBondContact CA-O 3.44Å; D208-Y239 WeakPolarHBondContact CB-O 3.39Å; L209-Y239 PolarHBondContact N-O 3.42Å; W227-Y239 HydrophobicContact CB-CD1 4.26Å; W228-Y239 CarbonylContact O-C 3.6Å; W228-Y239 WeakPolarHBondContact O-CA 3.5Å; R229-Y239 HydrophobicContact CB-CD1 4.31Å; R229-Y239 HydrophobicContact CB-CE1 4.1Å; Y239-Y367 HydrophobicContact CD1-CG 4.38Å; Y239-Y367 HydrophobicContact CE1-CD1 4.32Å; Y239-Y367 HydrophobicContact CE1-CE1 4.36Å; Y239-Y367 HydrophobicContact CE1-CG 4.49Å; Y239-Y367 HydrophobicContact CE2-CD1 4.25Å; Y239-Y367 HydrophobicContact CG-CG 4.49Å |
| 240 | I | 85.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.8 | 175.7 | 61.1 | 166.5 | 0 | 0 | 0 | 109.8 | L209 L211 I219 W227 W228 A230 S242 V245 | L209-I240 HydrophobicContact CB-CG2 3.66Å; L209-I240 HydrophobicContact CD2-CG2 4Å; L209-I240 HydrophobicContact CG-CG2 4.13Å; L211-I240 HydrophobicContact CD1-CB 4.14Å; L211-I240 HydrophobicContact CD2-CB 3.95Å; L211-I240 HydrophobicContact CD2-CD1 4Å; L211-I240 HydrophobicContact CD2-CG2 3.58Å; L211-I240 HydrophobicContact CG-CB 4.17Å; L211-I240 HydrophobicContact CG-CG2 4.01Å; I219-I240 HydrophobicContact CD1-CD1 3.93Å; W227-I240 CarbonylContact C-O 3.59Å; W227-I240 WeakPolarHBondContact CA-O 3.45Å; W228-I240 HydrophobicContact CB-CG1 4.32Å; W228-I240 PolarHBondContact N-O 2.89Å; W228-I240 WeakPolarHBondContact O-CG1 2.94Å; W228-I240 PolarHBondContact O-N 3.08Å; A230-I240 HydrophobicContact CB-CD1 3.42Å; A230-I240 VanDerWaalsContact CB-CD1 3.42Å; A230-I240 HydrophobicContact CB-CG1 3.65Å; A230-I240 HydrophobicContact CB-CG2 4.11Å; I240-S242 PolarHBondContact O-N 3.18Å; I240-V245 HydrophobicContact CD1-CG1 3.69Å; I240-V245 HydrophobicContact CD1-CG2 4.06Å |
| 241 | P | 78.1 | Confident | 78 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 119.7 | 170.5 | -13.2 | 26.7 | 0 | 0 | 0 | 109.7 | Y201 W227 N243 Y244 T362 | Y201-P241 HydrophobicContact CD1-CG 4.21Å; Y201-P241 HydrophobicContact CD2-CG 3.7Å; Y201-P241 HydrophobicContact CE1-CG 4.38Å; Y201-P241 HydrophobicContact CE2-CG 3.9Å; Y201-P241 HydrophobicContact CG-CG 3.89Å; W227-P241 HydrophobicContact CE3-CG 4.43Å; W227-P241 HydrophobicContact CH2-CG 3.9Å; W227-P241 HydrophobicContact CZ3-CG 3.84Å; P241-N243 WeakPolarHBondContact CB-OD1 3.35Å; P241-N243 PolarHBondContact O-N 2.82Å; P241-Y244 HydrophobicContact CB-CD2 3.59Å; P241-Y244 HydrophobicContact CB-CE2 4.14Å; P241-Y244 HydrophobicContact CB-CG 3.97Å; P241-Y244 HydrophobicContact CG-CD2 4.06Å; P241-Y244 HydrophobicContact CG-CE2 4.37Å; P241-Y244 HydrophobicContact CG-CG 4.13Å; P241-Y244 WeakPolarHBondContact O-CB 3.28Å; P241-Y244 PolarHBondContact O-N 3.44Å; P241-T362 HydrophobicContact CB-CG2 4.13Å; P241-T362 HydrophobicContact CG-CG2 3.73Å |
| 242 | S | 75.1 | Confident | 77.1 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -56.7 | -32.8 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | S225 N226 W228 I240 Y244 V245 | S225-S242 PolarHBondContact O-OG 3.34Å; N226-S242 VanDerWaalsContact C-OG 3.26Å; N226-S242 WeakPolarHBondContact CA-OG 3.28Å; N226-S242 WeakPolarHBondContact O-CB 2.96Å; N226-S242 PolarHBondContact O-N 2.75Å; N226-S242 PolarHBondContact O-OG 3.31Å; W228-S242 VanDerWaalsContact CD2-CB 3.49Å; W228-S242 VanDerWaalsContact CZ2-CB 3.45Å; I240-S242 PolarHBondContact O-N 3.18Å; S242-Y244 PolarHBondContact O-N 3.42Å; S242-V245 VanDerWaalsContact O-CG2 3.29Å; S242-V245 WeakPolarHBondContact O-CG2 3.45Å; S242-V245 PolarHBondContact O-N 3.03Å; S242-V245 VanDerWaalsContact O-O 3.09Å |
| 243 | N | 65.8 | Low | 76.1 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -77.3 | -0.3 | 178.7 | 69.4 | -52.3 | 0 | 0 | 0 | 113.8 | P241 S361 | P241-N243 WeakPolarHBondContact CB-OD1 3.35Å; P241-N243 PolarHBondContact O-N 2.82Å; N243-S361 PolarHBondContact ND2-O 3.38Å |
| 244 | Y | 70.9 | Confident | 75.1 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 7% | 0.071 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -100.4 | -3.1 | 175.4 | -81 | -132 | 0 | 0 | 0 | 112.4 | A197 E198 Y199 E200 Y201 L211 P241 S242 A359 P360 T362 | A197-Y244 CarbonylContact C-O 3.55Å; A197-Y244 WeakPolarHBondContact CA-O 3.47Å; E198-Y244 PolarHBondContact N-O 2.95Å; Y199-Y244 HydrophobicContact CD2-CG 4.46Å; E200-Y244 WeakPolarHBondContact O-CE1 3.38Å; Y201-Y244 HydrophobicContact CD2-CE1 4.07Å; Y201-Y244 HydrophobicContact CG-CD1 4.46Å; Y201-Y244 HydrophobicContact CG-CE1 4.4Å; L211-Y244 HydrophobicContact CD1-CD1 4.23Å; L211-Y244 HydrophobicContact CD1-CG 4.21Å; P241-Y244 HydrophobicContact CB-CD2 3.59Å; P241-Y244 HydrophobicContact CB-CE2 4.14Å; P241-Y244 HydrophobicContact CB-CG 3.97Å; P241-Y244 HydrophobicContact CG-CD2 4.06Å; P241-Y244 HydrophobicContact CG-CE2 4.37Å; P241-Y244 HydrophobicContact CG-CG 4.13Å; P241-Y244 WeakPolarHBondContact O-CB 3.28Å; P241-Y244 PolarHBondContact O-N 3.44Å; S242-Y244 PolarHBondContact O-N 3.42Å; Y244-A359 HydrophobicContact CD1-CB 4.43Å; Y244-A359 HydrophobicContact CE1-CB 3.48Å; Y244-A359 VanDerWaalsContact CE1-CB 3.48Å; Y244-A359 HydrophobicContact CE2-CB 4.42Å; Y244-A359 VanDerWaalsContact CZ-CB 3.48Å; Y244-A359 VanDerWaalsContact OH-CB 3.25Å; Y244-A359 WeakPolarHBondContact OH-CB 3.32Å; Y244-P360 HydrophobicContact CD2-CG 4.37Å; Y244-P360 HydrophobicContact CE2-CG 4.21Å; Y244-P360 WeakPolarHBondContact CE2-O 2.91Å; Y244-P360 PolarHBondContact OH-O 3.28Å; Y244-T362 HydrophobicContact CD2-CG2 4.49Å; Y244-T362 HydrophobicContact CE2-CG2 3.6Å; Y244-T362 WeakPolarHBondContact OH-CG2 3.42Å |
| 245 | V | 73.6 | Confident | 74.5 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.5 | -175.2 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | V195 V196 A197 L211 W228 I240 S242 | V195-V245 HydrophobicContact CB-CB 3.92Å; V195-V245 HydrophobicContact CB-CG2 4.21Å; V195-V245 HydrophobicContact CG2-CB 3.69Å; V195-V245 HydrophobicContact CG2-CG1 3.98Å; V195-V245 HydrophobicContact CG2-CG2 3.92Å; V196-V245 CarbonylContact O-C 3.45Å; V196-V245 VanDerWaalsContact O-CA 3.25Å; V196-V245 WeakPolarHBondContact O-CA 3.18Å; A197-V245 HydrophobicContact CB-CG1 4.34Å; L211-V245 HydrophobicContact CD1-CG1 3.8Å; L211-V245 HydrophobicContact CD2-CG1 4.01Å; W228-V245 HydrophobicContact CE3-CG2 3.85Å; W228-V245 HydrophobicContact CZ3-CG2 3.71Å; I240-V245 HydrophobicContact CD1-CG1 3.69Å; I240-V245 HydrophobicContact CD1-CG2 4.06Å; S242-V245 VanDerWaalsContact O-CG2 3.29Å; S242-V245 WeakPolarHBondContact O-CG2 3.45Å; S242-V245 PolarHBondContact O-N 3.03Å; S242-V245 VanDerWaalsContact O-O 3.09Å |
| 246 | V | 70.4 | Confident | 74.1 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.8 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | V195 V196 A248 | V195-V246 CarbonylContact C-O 3.59Å; V195-V246 WeakPolarHBondContact CA-O 3.35Å; V195-V246 VanDerWaalsContact CB-O 3.31Å; V195-V246 WeakPolarHBondContact CB-O 3.43Å; V196-V246 HydrophobicContact CB-CG2 4.27Å; V196-V246 PolarHBondContact N-O 3.48Å; V196-V246 PolarHBondContact O-N 2.65Å; V246-A248 PolarHBondContact O-N 3.26Å |
| 247 | E | 73 | Confident | 73.9 | Confident | 99 Ų | 99 | 46 Ų | 46 | 46% | 0.463 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 132.3 | 174.9 | -170.2 | -177.1 | -167.3 | 0 | 0 | 109.5 | L189 G249 | L189-E247 HydrophobicContact CD2-CB 4.18Å; L189-E247 HydrophobicContact CD2-CG 4.01Å; L189-E247 WeakPolarHBondContact CD2-OE2 3.21Å; E247-G249 PolarHBondContact O-N 2.9Å |
| 248 | A | 64 | Low | 73.6 | Confident | 51 Ų | 51 | 42.7 Ų | 42.7 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T194 V196 V246 | T194-A248 HydrophobicContact CG2-CB 4.34Å; T194-A248 VanDerWaalsContact O-CB 3.23Å; T194-A248 WeakPolarHBondContact O-CB 3.47Å; T194-A248 PolarHBondContact O-N 2.68Å; V196-A248 HydrophobicContact CG2-CB 4.24Å; V246-A248 PolarHBondContact O-N 3.26Å |
| 249 | G | 53.5 | Low | 73.2 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 61% | 0.608 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -23.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | E247 | E247-G249 PolarHBondContact O-N 2.9Š|
| 250 | N | 56.7 | Low | 72.8 | Confident | 65 Ų | 65 | 45 Ų | 45 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | trans | -104.5 | 92.3 | -177.7 | -141.2 | 9.9 | 0 | 0 | 0 | 110.5 | L252 E253 | N250-L252 PolarHBondContact O-N 2.87Å; N250-E253 HydrophobicContact CB-CG 4.38Å; N250-E253 PolarHBondContact ND2-OE1 3.21Å; N250-E253 PolarHBondContact O-N 3.41Å | ||
| 251 | E | 63.7 | Low | 72 | Confident | 124 Ų | 124 | 49.2 Ų | 49.2 | 58% | 0.579 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -56.2 | -18.4 | -172.1 | -66.1 | -159.5 | 150.6 | 0 | 0 | 114.9 | K254 F255 | E251-K254 WeakPolarHBondContact O-CD 3.34Å; E251-K254 WeakPolarHBondContact O-CE 3.42Å; E251-K254 WeakPolarHBondContact O-CG 3.31Å; E251-K254 IonicContact OE1-NZ 3.27Å; E251-K254 IonicContact OE2-NZ 2.65Å; E251-F255 WeakPolarHBondContact O-CD2 3.46Å; E251-F255 WeakPolarHBondContact O-CE2 3Å |
| 252 | L | 73.8 | Confident | 72 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -75.6 | -30.1 | -180 | -57.5 | 177.7 | 0 | 0 | 0 | 112.7 | N250 K254 F255 W257 Y258 Y291 I330 P331 | N250-L252 PolarHBondContact O-N 2.87Å; L252-K254 PolarHBondContact O-N 2.96Å; L252-F255 PolarHBondContact O-N 3.06Å; L252-W257 HydrophobicContact CD2-CH2 4.06Å; L252-Y258 HydrophobicContact CB-CD1 3.94Å; L252-Y258 HydrophobicContact CB-CD2 4.19Å; L252-Y258 HydrophobicContact CB-CE1 4.05Å; L252-Y258 HydrophobicContact CB-CE2 4.29Å; L252-Y258 HydrophobicContact CB-CG 4Å; L252-Y258 HydrophobicContact CD1-CE2 4.29Å; L252-Y258 VanDerWaalsContact O-CB 3.29Å; L252-Y258 WeakPolarHBondContact O-CB 3.25Å; L252-Y291 HydrophobicContact CD1-CD1 4.49Å; L252-Y291 HydrophobicContact CD1-CE1 3.88Å; L252-Y291 HydrophobicContact CD1-CE2 4.33Å; L252-I330 HydrophobicContact CD1-CD1 3.82Å; L252-I330 HydrophobicContact CD2-CB 3.87Å; L252-I330 HydrophobicContact CD2-CG2 4.17Å; L252-P331 HydrophobicContact CD2-CG 3.99Å |
| 253 | E | 71.4 | Confident | 72.2 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -70.8 | -9.1 | -178.5 | -66.9 | -179 | -154.6 | 0 | 0 | 112.7 | N250 F255 Y258 K260 R355 | N250-E253 HydrophobicContact CB-CG 4.38Å; N250-E253 PolarHBondContact ND2-OE1 3.21Å; N250-E253 PolarHBondContact O-N 3.41Å; E253-F255 VanDerWaalsContact C-N 3.35Å; E253-Y258 HydrophobicContact CG-CD1 3.99Å; E253-Y258 HydrophobicContact CG-CE1 3.77Å; E253-K260 WeakPolarHBondContact OE1-CD 3.19Å; E253-K260 WeakPolarHBondContact OE1-CE 3.39Å; E253-K260 IonicContact OE1-NZ 3.12Å; E253-K260 PolarHBondContact OE1-NZ 3.38Å; E253-R355 PolarHBondContact O-NH2 2.74Å |
| 254 | K | 68.9 | Low | 72.9 | Confident | 119 Ų | 119 | 51.7 Ų | 51.7 | 52% | 0.517 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -77 | -20.7 | 169.2 | 79.3 | -156.5 | 171.5 | -173.7 | 0 | 113.3 | E251 L252 | E251-K254 WeakPolarHBondContact O-CD 3.34Å; E251-K254 WeakPolarHBondContact O-CE 3.42Å; E251-K254 WeakPolarHBondContact O-CG 3.31Å; E251-K254 IonicContact OE1-NZ 3.27Å; E251-K254 IonicContact OE2-NZ 2.65Å; L252-K254 PolarHBondContact O-N 2.96Å |
| 255 | F | 76.5 | Confident | 73.2 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -92.8 | 127.7 | -172.7 | -62.6 | -80.1 | 0 | 0 | 0 | 112.5 | E251 L252 E253 W257 Y258 P331 R355 | E251-F255 WeakPolarHBondContact O-CD2 3.46Å; E251-F255 WeakPolarHBondContact O-CE2 3Å; L252-F255 PolarHBondContact O-N 3.06Å; E253-F255 VanDerWaalsContact C-N 3.35Å; F255-W257 HydrophobicContact CB-CD2 3.8Å; F255-W257 HydrophobicContact CB-CE3 4.39Å; F255-W257 HydrophobicContact CB-CG 4.19Å; F255-W257 HydrophobicContact CB-CH2 4.24Å; F255-W257 HydrophobicContact CB-CZ2 3.6Å; F255-W257 AromaticContact CD1-CE2 3.99Å; F255-W257 AromaticContact CD1-CZ2 3.96Å; F255-W257 HydrophobicContact CD1-CZ2 3.96Å; F255-W257 AromaticContact CD1-NE1 3.65Å; F255-W257 HydrophobicContact CD2-CH2 4.09Å; F255-W257 AromaticContact CD2-CZ2 3.63Å; F255-W257 HydrophobicContact CD2-CZ2 3.63Å; F255-W257 HydrophobicContact CE2-CZ2 4.25Å; F255-W257 AromaticContact CG-CE2 3.62Å; F255-W257 HydrophobicContact CG-CH2 4.26Å; F255-W257 AromaticContact CG-CZ2 3.46Å; F255-W257 HydrophobicContact CG-CZ2 3.46Å; F255-W257 VanDerWaalsContact CG-CZ2 3.46Å; F255-W257 AromaticContact CG-NE1 3.72Å; F255-W257 PolarHBondContact O-N 3.41Å; F255-Y258 WeakPolarHBondContact O-CB 3.13Å; F255-Y258 PolarHBondContact O-N 2.99Å; F255-P331 HydrophobicContact CD2-CG 4.17Å; F255-P331 HydrophobicContact CE1-CB 4.37Å; F255-P331 HydrophobicContact CE2-CB 3.94Å; F255-P331 HydrophobicContact CE2-CG 3.32Å; F255-P331 HydrophobicContact CZ-CB 3.67Å; F255-P331 HydrophobicContact CZ-CG 3.59Å; F255-R355 PolarHBondContact O-NH2 3.1Å; F255-R355 VanDerWaalsContact O-NH2 3.12Å |
| 256 | D | 76.6 | Confident | 73.5 | Confident | 77 Ų | 77 | 53 Ų | 53 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.3 | -178.4 | -69.4 | -34 | 0 | 0 | 0 | 114.9 | Y258 I351 S353 R355 | D256-Y258 VanDerWaalsContact C-N 3.28Å; D256-I351 HydrophobicContact CB-CG2 4.21Å; D256-S353 WeakPolarHBondContact O-CB 3.48Å; D256-S353 PolarHBondContact O-OG 3.33Å; D256-R355 IonicContact OD1-CZ 2.7Å; D256-R355 IonicContact OD1-NH1 3.27Å; D256-R355 PolarHBondContact OD1-NH1 3.46Å |
| 257 | W | 87.2 | Confident | 74.1 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.5 | 176.1 | 50 | -104.9 | 0 | 0 | 0 | 113.5 | L252 F255 F280 L281 V282 I330 P331 I334 I351 | L252-W257 HydrophobicContact CD2-CH2 4.06Å; F255-W257 HydrophobicContact CB-CD2 3.8Å; F255-W257 HydrophobicContact CB-CE3 4.39Å; F255-W257 HydrophobicContact CB-CG 4.19Å; F255-W257 HydrophobicContact CB-CH2 4.24Å; F255-W257 HydrophobicContact CB-CZ2 3.6Å; F255-W257 AromaticContact CD1-CE2 3.99Å; F255-W257 AromaticContact CD1-CZ2 3.96Å; F255-W257 HydrophobicContact CD1-CZ2 3.96Å; F255-W257 AromaticContact CD1-NE1 3.65Å; F255-W257 HydrophobicContact CD2-CH2 4.09Å; F255-W257 AromaticContact CD2-CZ2 3.63Å; F255-W257 HydrophobicContact CD2-CZ2 3.63Å; F255-W257 HydrophobicContact CE2-CZ2 4.25Å; F255-W257 AromaticContact CG-CE2 3.62Å; F255-W257 HydrophobicContact CG-CH2 4.26Å; F255-W257 AromaticContact CG-CZ2 3.46Å; F255-W257 HydrophobicContact CG-CZ2 3.46Å; F255-W257 VanDerWaalsContact CG-CZ2 3.46Å; F255-W257 AromaticContact CG-NE1 3.72Å; F255-W257 PolarHBondContact O-N 3.41Å; W257-F280 HydrophobicContact CB-CE2 3.77Å; W257-F280 HydrophobicContact CB-CZ 4.06Å; W257-F280 HydrophobicContact CG-CE2 4.11Å; W257-F280 HydrophobicContact CG-CZ 4.36Å; W257-L281 CarbonylContact O-C 3.6Å; W257-L281 WeakPolarHBondContact O-CA 3.43Å; W257-V282 HydrophobicContact CD2-CG2 4.2Å; W257-V282 HydrophobicContact CE3-CB 3.56Å; W257-V282 HydrophobicContact CE3-CG1 4.45Å; W257-V282 HydrophobicContact CE3-CG2 3.25Å; W257-V282 HydrophobicContact CZ3-CB 3.72Å; W257-V282 HydrophobicContact CZ3-CG1 4.12Å; W257-V282 HydrophobicContact CZ3-CG2 3.56Å; W257-V282 PolarHBondContact O-N 3.36Å; W257-I330 HydrophobicContact CH2-CG2 3.87Å; W257-I330 HydrophobicContact CZ3-CG2 4.13Å; W257-P331 HydrophobicContact CH2-CG 4.45Å; W257-P331 HydrophobicContact CZ2-CB 4.41Å; W257-P331 HydrophobicContact CZ2-CG 4.33Å; W257-I334 HydrophobicContact CD2-CG2 4.33Å; W257-I334 HydrophobicContact CE3-CG1 4.42Å; W257-I334 HydrophobicContact CH2-CG1 4.05Å; W257-I334 HydrophobicContact CZ2-CB 4.33Å; W257-I334 HydrophobicContact CZ2-CG1 4.16Å; W257-I334 HydrophobicContact CZ2-CG2 4.48Å; W257-I334 HydrophobicContact CZ3-CG1 4.18Å; W257-I351 HydrophobicContact CB-CG1 4.24Å; W257-I351 HydrophobicContact CB-CG2 3.81Å |
| 258 | Y | 87.5 | Confident | 74.8 | Confident | 6 Ų | 6 | 49 Ų | 49 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.7 | -178.5 | -173.8 | -111.2 | 0 | 0 | 0 | 111.5 | L252 E253 F255 D256 K260 V282 D284 Y291 | L252-Y258 HydrophobicContact CB-CD1 3.94Å; L252-Y258 HydrophobicContact CB-CD2 4.19Å; L252-Y258 HydrophobicContact CB-CE1 4.05Å; L252-Y258 HydrophobicContact CB-CE2 4.29Å; L252-Y258 HydrophobicContact CB-CG 4Å; L252-Y258 HydrophobicContact CD1-CE2 4.29Å; L252-Y258 VanDerWaalsContact O-CB 3.29Å; L252-Y258 WeakPolarHBondContact O-CB 3.25Å; E253-Y258 HydrophobicContact CG-CD1 3.99Å; E253-Y258 HydrophobicContact CG-CE1 3.77Å; F255-Y258 WeakPolarHBondContact O-CB 3.13Å; F255-Y258 PolarHBondContact O-N 2.99Å; D256-Y258 VanDerWaalsContact C-N 3.28Å; Y258-K260 HydrophobicContact CE1-CB 3.83Å; Y258-K260 HydrophobicContact CE1-CG 4.25Å; Y258-V282 CarbonylContact C-O 3.56Å; Y258-V282 WeakPolarHBondContact CA-O 3.46Å; Y258-V282 HydrophobicContact CD2-CB 4.18Å; Y258-V282 HydrophobicContact CD2-CG1 4.08Å; Y258-V282 HydrophobicContact CE2-CG1 4.49Å; Y258-D284 PolarHBondContact OH-OD1 3.1Å; Y258-Y291 AromaticContact CE2-CD1 3.86Å; Y258-Y291 HydrophobicContact CE2-CD1 3.86Å; Y258-Y291 AromaticContact CE2-CE1 3.95Å; Y258-Y291 HydrophobicContact CE2-CE1 3.95Å; Y258-Y291 WeakPolarHBondContact OH-CE1 3.32Å |
| 259 | C | 79.9 | Confident | 75.6 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 81.7 | -178.1 | -59.1 | 0 | 0 | 0 | 0 | 109 | M262 V282 R283 | C259-M262 HydrophobicContact CB-CB 3.74Å; C259-M262 HydrophobicContact CB-CE 3.74Å; C259-M262 HydrophobicContact CB-SD 4.05Å; C259-M262 WeakPolarHBondContact O-CB 3.35Å; C259-M262 PolarHBondContact O-N 3.1Å; C259-V282 PolarHBondContact N-O 3.17Å; C259-R283 WeakPolarHBondContact O-CA 3.32Å; C259-R283 VanDerWaalsContact O-CB 3.27Å; C259-R283 WeakPolarHBondContact O-CB 3.4Å |
| 260 | K | 75.9 | Confident | 76.9 | Confident | 93 Ų | 93 | 49 Ų | 49 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -67.2 | -172 | -170.1 | 179.3 | -171.6 | 167.4 | 0 | 113.4 | E253 Y258 M262 D284 | E253-K260 WeakPolarHBondContact OE1-CD 3.19Å; E253-K260 WeakPolarHBondContact OE1-CE 3.39Å; E253-K260 IonicContact OE1-NZ 3.12Å; E253-K260 PolarHBondContact OE1-NZ 3.38Å; Y258-K260 HydrophobicContact CE1-CB 3.83Å; Y258-K260 HydrophobicContact CE1-CG 4.25Å; K260-M262 PolarHBondContact O-N 2.72Å; K260-D284 VanDerWaalsContact CG-OD2 3.23Å; K260-D284 WeakPolarHBondContact CG-OD2 3.37Å; K260-D284 WeakPolarHBondContact O-CB 3.42Å; K260-D284 PolarHBondContact O-N 3.39Å |
| 261 | S | 69 | Low | 78.3 | Confident | 89 Ų | 89 | 46 Ų | 46 | 62% | 0.622 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 12.4 | -174.2 | -47.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 262 | M | 79 | Confident | 79.3 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | trans | -79.2 | 127.8 | -176.2 | -176 | 178.4 | -72.7 | 0 | 0 | 111.4 | C259 K260 Q266 A267 L270 L281 R283 S354 | C259-M262 HydrophobicContact CB-CB 3.74Å; C259-M262 HydrophobicContact CB-CE 3.74Å; C259-M262 HydrophobicContact CB-SD 4.05Å; C259-M262 WeakPolarHBondContact O-CB 3.35Å; C259-M262 PolarHBondContact O-N 3.1Å; K260-M262 PolarHBondContact O-N 2.72Å; M262-Q266 HydrophobicContact CG-CB 3.92Å; M262-A267 HydrophobicContact CG-CB 4.06Å; M262-A267 WeakPolarHBondContact SD-CA 3.39Å; M262-A267 HydrophobicContact SD-CB 3.59Å; M262-A267 VanDerWaalsContact SD-CB 3.59Å; M262-L270 HydrophobicContact CE-CD2 3.56Å; M262-L270 HydrophobicContact SD-CD2 4.4Å; M262-L281 HydrophobicContact CE-CD2 4.2Å; M262-L281 HydrophobicContact SD-CD1 3.57Å; M262-L281 VanDerWaalsContact SD-CD1 3.57Å; M262-L281 HydrophobicContact SD-CD2 3.43Å; M262-L281 WeakPolarHBondContact SD-CD2 3.46Å; M262-L281 HydrophobicContact SD-CG 4.15Å; M262-R283 HydrophobicContact CB-CB 4.18Å; M262-R283 WeakPolarHBondContact O-CD 3.42Å; M262-S354 WeakPolarHBondContact CE-OG 3.33Å | ||
| 263 | N | 78.6 | Confident | 79.6 | Confident | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | trans | -85 | 171.7 | 174.6 | 76.2 | 42.3 | 0 | 0 | 0 | 112.5 | S265 Q266 A267 | N263-S265 PolarHBondContact O-N 2.78Å; N263-S265 PolarHBondContact OD1-N 3.17Å; N263-S265 VanDerWaalsContact OD1-N 3.09Å; N263-Q266 VanDerWaalsContact CG-OE1 3.31Å; N263-Q266 PolarHBondContact ND2-OE1 2.83Å; N263-Q266 WeakPolarHBondContact OD1-CB 3.31Å; N263-Q266 WeakPolarHBondContact OD1-CG 3.25Å; N263-Q266 PolarHBondContact OD1-N 3.26Å; N263-A267 WeakPolarHBondContact O-CB 3.25Å; N263-A267 PolarHBondContact O-N 2.95Å | ||
| 264 | R | 81.6 | Confident | 80.1 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | -176.6 | -177.2 | 177.7 | 174.5 | 175.5 | -9.4 | 112.8 | A267 E268 H308 Q635 | R264-A267 WeakPolarHBondContact O-CB 3.42Å; R264-A267 PolarHBondContact O-N 3.24Å; R264-E268 IonicContact NE-OE1 3.97Å; R264-E268 PolarHBondContact NE-OE1 2.89Å; R264-E268 WeakPolarHBondContact O-CG 3.49Å; R264-E268 PolarHBondContact O-N 2.85Å; R264-H308 PolarHBondContact NE-CD2 3.19Å; R264-H308 PolarHBondContact NE-NE2 2.89Å; R264-Q635 PolarHBondContact NH1-O 3.24Å |
| 265 | S | 77.1 | Confident | 80.8 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.6 | -41.8 | -177.3 | 179.4 | 0 | 0 | 0 | 0 | 112 | N263 A267 E268 N269 E476 | N263-S265 PolarHBondContact O-N 2.78Å; N263-S265 PolarHBondContact OD1-N 3.17Å; N263-S265 VanDerWaalsContact OD1-N 3.09Å; S265-A267 PolarHBondContact O-N 3.25Å; S265-E268 PolarHBondContact O-N 2.91Å; S265-N269 WeakPolarHBondContact O-CB 3.32Å; S265-N269 PolarHBondContact O-N 3.31Å; S265-E476 WeakPolarHBondContact CB-OE1 3.27Å; S265-E476 WeakPolarHBondContact CB-OE2 3.25Å; S265-E476 PolarHBondContact OG-OE2 3.08Å |
| 266 | Q | 78.6 | Confident | 81.2 | Confident | 40 Ų | 40 | 51 Ų | 51 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 170.7 | -73.8 | 170.5 | -22.5 | 0 | 0 | 111.1 | M262 N263 E268 N269 L270 T510 | M262-Q266 HydrophobicContact CG-CB 3.92Å; N263-Q266 VanDerWaalsContact CG-OE1 3.31Å; N263-Q266 PolarHBondContact ND2-OE1 2.83Å; N263-Q266 WeakPolarHBondContact OD1-CB 3.31Å; N263-Q266 WeakPolarHBondContact OD1-CG 3.25Å; N263-Q266 PolarHBondContact OD1-N 3.26Å; Q266-E268 PolarHBondContact O-N 2.66Å; Q266-N269 PolarHBondContact O-N 3.5Å; Q266-L270 VanDerWaalsContact O-CB 3.3Å; Q266-L270 WeakPolarHBondContact O-CB 3.29Å; Q266-L270 PolarHBondContact O-N 3.06Å; Q266-T510 PolarHBondContact NE2-OG1 3.24Å |
| 267 | A | 84 | Confident | 81.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M262 N263 R264 S265 L270 L271 L281 | M262-A267 HydrophobicContact CG-CB 4.06Å; M262-A267 WeakPolarHBondContact SD-CA 3.39Å; M262-A267 HydrophobicContact SD-CB 3.59Å; M262-A267 VanDerWaalsContact SD-CB 3.59Å; N263-A267 WeakPolarHBondContact O-CB 3.25Å; N263-A267 PolarHBondContact O-N 2.95Å; R264-A267 WeakPolarHBondContact O-CB 3.42Å; R264-A267 PolarHBondContact O-N 3.24Å; S265-A267 PolarHBondContact O-N 3.25Å; A267-L270 PolarHBondContact O-N 3.25Å; A267-L271 WeakPolarHBondContact O-CB 3.38Å; A267-L271 WeakPolarHBondContact O-CD1 3.33Å; A267-L271 WeakPolarHBondContact O-CG 3.44Å; A267-L271 PolarHBondContact O-N 3.48Å; A267-L281 HydrophobicContact CB-CD1 3.94Å; A267-L281 HydrophobicContact CB-CD2 4.08Å; A267-L281 HydrophobicContact CB-CG 4.44Å |
| 268 | E | 86.5 | Confident | 81.7 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 177.4 | -74.2 | -168.7 | -157.4 | 0 | 0 | 112.5 | R264 S265 Q266 K272 C306 H308 | R264-E268 IonicContact NE-OE1 3.97Å; R264-E268 PolarHBondContact NE-OE1 2.89Å; R264-E268 WeakPolarHBondContact O-CG 3.49Å; R264-E268 PolarHBondContact O-N 2.85Å; S265-E268 PolarHBondContact O-N 2.91Å; Q266-E268 PolarHBondContact O-N 2.66Å; E268-K272 VanDerWaalsContact O-CB 3.24Å; E268-K272 WeakPolarHBondContact O-CB 3.33Å; E268-K272 WeakPolarHBondContact O-CD 3.34Å; E268-K272 WeakPolarHBondContact O-CG 3.49Å; E268-K272 PolarHBondContact O-N 3.27Å; E268-K272 IonicContact OE2-NZ 3.29Å; E268-K272 PolarHBondContact OE2-NZ 3.34Å; E268-C306 HydrophobicContact CB-CB 4.47Å; E268-C306 HydrophobicContact CG-CB 3.77Å; E268-H308 WeakPolarHBondContact CG-NE2 3.31Å; E268-H308 IonicContact OE1-NE2 2.73Å; E268-H308 PolarHBondContact OE1-NE2 3.35Å; E268-H308 VanDerWaalsContact OE1-NE2 3.17Å |
| 269 | N | 80.8 | Confident | 81.9 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 178.3 | -78.8 | -18.3 | 0 | 0 | 0 | 111.3 | S265 Q266 K272 T273 | S265-N269 WeakPolarHBondContact O-CB 3.32Å; S265-N269 PolarHBondContact O-N 3.31Å; Q266-N269 PolarHBondContact O-N 3.5Å; N269-K272 PolarHBondContact O-N 3.07Å; N269-T273 VanDerWaalsContact O-CB 3.28Å; N269-T273 WeakPolarHBondContact O-CB 3.28Å; N269-T273 PolarHBondContact O-N 3.06Å; N269-T273 PolarHBondContact O-OG1 2.89Å |
| 270 | L | 81.6 | Confident | 82.6 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | 179.3 | -174.5 | 66.8 | 0 | 0 | 0 | 111.3 | M262 Q266 A267 K272 T273 E274 L281 V352 | M262-L270 HydrophobicContact CE-CD2 3.56Å; M262-L270 HydrophobicContact SD-CD2 4.4Å; Q266-L270 VanDerWaalsContact O-CB 3.3Å; Q266-L270 WeakPolarHBondContact O-CB 3.29Å; Q266-L270 PolarHBondContact O-N 3.06Å; A267-L270 PolarHBondContact O-N 3.25Å; L270-K272 PolarHBondContact O-N 3.12Å; L270-T273 PolarHBondContact O-N 3.47Å; L270-E274 PolarHBondContact O-N 2.9Å; L270-L281 HydrophobicContact CD2-CD2 4.15Å; L270-V352 HydrophobicContact CB-CG1 4.47Å; L270-V352 HydrophobicContact CD2-CG1 3.67Å; L270-V352 HydrophobicContact CG-CG1 3.55Å |
| 271 | L | 86.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.2 | -76.6 | 171.1 | 0 | 0 | 0 | 112.7 | A267 T273 N275 G279 L281 F296 V352 | A267-L271 WeakPolarHBondContact O-CB 3.38Å; A267-L271 WeakPolarHBondContact O-CD1 3.33Å; A267-L271 WeakPolarHBondContact O-CG 3.44Å; A267-L271 PolarHBondContact O-N 3.48Å; L271-T273 VanDerWaalsContact C-N 3.35Å; L271-N275 PolarHBondContact O-N 3.41Å; L271-G279 WeakPolarHBondContact CD2-O 3.22Å; L271-L281 HydrophobicContact CD1-CD2 4.33Å; L271-L281 HydrophobicContact CD2-CD2 4.35Å; L271-L281 HydrophobicContact CG-CD2 4.04Å; L271-F296 HydrophobicContact CB-CB 4.16Å; L271-F296 HydrophobicContact CD2-CB 4.33Å; L271-V352 HydrophobicContact CD2-CB 3.8Å; L271-V352 HydrophobicContact CD2-CG1 4Å; L271-V352 HydrophobicContact CD2-CG2 3.82Å; L271-V352 HydrophobicContact CG-CG1 4.47Å |
| 272 | K | 83.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 39.5 Ų | 39.5 | 38% | 0.378 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.2 | -35 | 175.5 | -73.5 | 168.3 | -169.6 | 164.2 | 0 | 111.9 | E268 N269 L270 N275 F296 | E268-K272 VanDerWaalsContact O-CB 3.24Å; E268-K272 WeakPolarHBondContact O-CB 3.33Å; E268-K272 WeakPolarHBondContact O-CD 3.34Å; E268-K272 WeakPolarHBondContact O-CG 3.49Å; E268-K272 PolarHBondContact O-N 3.27Å; E268-K272 IonicContact OE2-NZ 3.29Å; E268-K272 PolarHBondContact OE2-NZ 3.34Å; N269-K272 PolarHBondContact O-N 3.07Å; L270-K272 PolarHBondContact O-N 3.12Å; K272-N275 WeakPolarHBondContact O-CB 3.49Å; K272-N275 PolarHBondContact O-N 3.04Å; K272-F296 HydrophobicContact CB-CE2 4.5Å; K272-F296 HydrophobicContact CG-CD2 4.3Å; K272-F296 HydrophobicContact CG-CE2 3.95Å |
| 273 | T | 81 | Confident | 84.9 | Confident | 114 Ų | 114 | 39.8 Ų | 39.8 | 70% | 0.699 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -67.5 | -44.9 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | N269 L270 L271 N275 | N269-T273 VanDerWaalsContact O-CB 3.28Å; N269-T273 WeakPolarHBondContact O-CB 3.28Å; N269-T273 PolarHBondContact O-N 3.06Å; N269-T273 PolarHBondContact O-OG1 2.89Å; L270-T273 PolarHBondContact O-N 3.47Å; L271-T273 VanDerWaalsContact C-N 3.35Å; T273-N275 VanDerWaalsContact C-N 3.28Å; T273-N275 PolarHBondContact O-N 2.9Å |
| 274 | E | 82.1 | Confident | 85.2 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 39% | 0.388 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.4 | -31.6 | 175 | -77.4 | -67.1 | 138.3 | 0 | 0 | 112.3 | L270 K276 V352 | L270-E274 PolarHBondContact O-N 2.9Å; E274-K276 VanDerWaalsContact C-N 3.26Å; E274-K276 PolarHBondContact O-N 3.41Å; E274-K276 VanDerWaalsContact O-N 3.17Å; E274-K276 IonicContact OE2-NZ 3.06Å; E274-K276 PolarHBondContact OE2-NZ 3.34Å; E274-V352 HydrophobicContact CB-CG2 4.12Å; E274-V352 HydrophobicContact CG-CG1 3.97Å; E274-V352 HydrophobicContact CG-CG2 4.08Å |
| 275 | N | 83.4 | Confident | 85.1 | Confident | 80 Ų | 80 | 38 Ų | 38 | 43% | 0.428 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 38.8 | 172.2 | -165.1 | 18.1 | 0 | 0 | 0 | 114.1 | L271 K272 T273 F296 K298 | L271-N275 PolarHBondContact O-N 3.41Å; K272-N275 WeakPolarHBondContact O-CB 3.49Å; K272-N275 PolarHBondContact O-N 3.04Å; T273-N275 VanDerWaalsContact C-N 3.28Å; T273-N275 PolarHBondContact O-N 2.9Å; N275-F296 WeakPolarHBondContact OD1-CE1 3.12Å; N275-F296 WeakPolarHBondContact OD1-CZ 3.42Å; N275-K298 WeakPolarHBondContact O-CE 3.09Å; N275-K298 PolarHBondContact O-NZ 3.03Å; N275-K298 WeakPolarHBondContact OD1-CE 3.35Å |
| 276 | K | 84.6 | Confident | 84.8 | Confident | 87 Ų | 87 | 40.3 Ų | 40.3 | 38% | 0.378 | 21% | 0.211 | S | C | . | . | trans | -107.6 | 119.4 | 179.4 | -74.3 | 167.5 | -173.9 | 155.5 | 0 | 110.2 | E274 G278 G279 F296 Y350 | E274-K276 VanDerWaalsContact C-N 3.26Å; E274-K276 PolarHBondContact O-N 3.41Å; E274-K276 VanDerWaalsContact O-N 3.17Å; E274-K276 IonicContact OE2-NZ 3.06Å; E274-K276 PolarHBondContact OE2-NZ 3.34Å; K276-G278 PolarHBondContact O-N 3.17Å; K276-G279 WeakPolarHBondContact O-CA 3.41Å; K276-G279 PolarHBondContact O-N 3.2Å; K276-F296 VanDerWaalsContact O-CD1 3.3Å; K276-F296 WeakPolarHBondContact O-CD1 3.44Å; K276-Y350 HydrophobicContact CB-CD2 3.83Å; K276-Y350 HydrophobicContact CB-CE2 4.44Å; K276-Y350 HydrophobicContact CB-CG 4.18Å; K276-Y350 HydrophobicContact CD-CD1 4.46Å; K276-Y350 HydrophobicContact CD-CG 4.17Å | ||
| 277 | D | 88.3 | Confident | 84.2 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 130.8 | 177.1 | 179.5 | 68.9 | 0 | 0 | 0 | 110.9 | G279 T297 K298 K349 Y350 | D277-G279 PolarHBondContact O-N 3.29Å; D277-T297 VanDerWaalsContact OD1-CA 3.27Å; D277-T297 WeakPolarHBondContact OD1-CA 3.34Å; D277-T297 PolarHBondContact OD1-OG1 2.81Å; D277-K298 HydrophobicContact CB-CB 4.3Å; D277-K298 HydrophobicContact CB-CD 4.34Å; D277-K298 HydrophobicContact CB-CG 4.15Å; D277-K298 PolarHBondContact OD1-N 3.25Å; D277-K349 WeakPolarHBondContact O-CD 3.44Å; D277-K349 IonicContact OD2-NZ 3.8Å; D277-K349 PolarHBondContact OD2-NZ 2.9Å; D277-Y350 VanDerWaalsContact O-CD2 3.27Å; D277-Y350 WeakPolarHBondContact O-CD2 3.29Å; D277-Y350 VanDerWaalsContact O-CE2 3.29Å; D277-Y350 WeakPolarHBondContact O-CE2 3.46Å |
| 278 | G | 86.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 12.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K276 F296 K349 Y350 | K276-G278 PolarHBondContact O-N 3.17Å; G278-F296 WeakPolarHBondContact CA-O 3.46Å; G278-F296 PolarHBondContact N-O 3.3Å; G278-K349 PolarHBondContact O-N 3.28Å; G278-Y350 PolarHBondContact O-N 2.79Å; G278-Y350 VanDerWaalsContact O-N 3.13Å |
| 279 | G | 90.7 | Very high | 82.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 133.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L271 K276 D277 V295 F296 Y350 | L271-G279 WeakPolarHBondContact CD2-O 3.22Å; K276-G279 WeakPolarHBondContact O-CA 3.41Å; K276-G279 PolarHBondContact O-N 3.2Å; D277-G279 PolarHBondContact O-N 3.29Å; G279-V295 CarbonylContact O-C 3.54Å; G279-V295 WeakPolarHBondContact O-CA 3.38Å; G279-F296 PolarHBondContact O-N 2.79Å; G279-Y350 CarbonylContact C-O 3.54Å; G279-Y350 VanDerWaalsContact CA-O 3.25Å; G279-Y350 WeakPolarHBondContact CA-O 3Å |
| 280 | F | 93.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.5 | -174.8 | 81.3 | -77.7 | 0 | 0 | 0 | 113.8 | W257 V293 S294 V295 I334 Q338 L348 Y350 I351 V352 | W257-F280 HydrophobicContact CB-CE2 3.77Å; W257-F280 HydrophobicContact CB-CZ 4.06Å; W257-F280 HydrophobicContact CG-CE2 4.11Å; W257-F280 HydrophobicContact CG-CZ 4.36Å; F280-V293 HydrophobicContact CD2-CG1 4.46Å; F280-S294 CarbonylContact C-O 3.58Å; F280-S294 WeakPolarHBondContact CA-O 3.47Å; F280-V295 HydrophobicContact CB-CG2 4.06Å; F280-I334 HydrophobicContact CE2-CG2 3.69Å; F280-I334 HydrophobicContact CZ-CG2 3.94Å; F280-Q338 HydrophobicContact CE1-CG 4.45Å; F280-Q338 HydrophobicContact CZ-CG 4.3Å; F280-L348 HydrophobicContact CB-CD2 3.65Å; F280-L348 HydrophobicContact CD1-CB 3.56Å; F280-L348 HydrophobicContact CD1-CD2 4.31Å; F280-L348 HydrophobicContact CD1-CG 4.39Å; F280-L348 HydrophobicContact CD2-CB 4.19Å; F280-L348 HydrophobicContact CD2-CD1 3.91Å; F280-L348 HydrophobicContact CD2-CD2 4.04Å; F280-L348 HydrophobicContact CD2-CG 4.27Å; F280-L348 HydrophobicContact CE1-CB 3.71Å; F280-L348 HydrophobicContact CE2-CB 4.32Å; F280-L348 HydrophobicContact CE2-CD1 4.01Å; F280-L348 HydrophobicContact CG-CB 3.82Å; F280-L348 HydrophobicContact CG-CD1 4.31Å; F280-L348 HydrophobicContact CG-CD2 3.73Å; F280-L348 HydrophobicContact CG-CG 4.15Å; F280-L348 HydrophobicContact CZ-CB 4.1Å; F280-L348 HydrophobicContact CZ-CD1 4.47Å; F280-Y350 WeakPolarHBondContact CD1-O 3.33Å; F280-Y350 PolarHBondContact N-O 3.15Å; F280-I351 HydrophobicContact CE1-CG1 3.83Å; F280-I351 HydrophobicContact CZ-CG1 3.86Å; F280-V352 PolarHBondContact O-N 2.98Å |
| 281 | L | 92.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 158.5 | 170.2 | 65.5 | 87.4 | 0 | 0 | 0 | 110.3 | W257 M262 A267 L270 L271 R283 V293 S294 V352 | W257-L281 CarbonylContact O-C 3.6Å; W257-L281 WeakPolarHBondContact O-CA 3.43Å; M262-L281 HydrophobicContact CE-CD2 4.2Å; M262-L281 HydrophobicContact SD-CD1 3.57Å; M262-L281 VanDerWaalsContact SD-CD1 3.57Å; M262-L281 HydrophobicContact SD-CD2 3.43Å; M262-L281 WeakPolarHBondContact SD-CD2 3.46Å; M262-L281 HydrophobicContact SD-CG 4.15Å; A267-L281 HydrophobicContact CB-CD1 3.94Å; A267-L281 HydrophobicContact CB-CD2 4.08Å; A267-L281 HydrophobicContact CB-CG 4.44Å; L270-L281 HydrophobicContact CD2-CD2 4.15Å; L271-L281 HydrophobicContact CD1-CD2 4.33Å; L271-L281 HydrophobicContact CD2-CD2 4.35Å; L271-L281 HydrophobicContact CG-CD2 4.04Å; L281-R283 HydrophobicContact CD1-CB 4.15Å; L281-R283 HydrophobicContact CD1-CG 4.19Å; L281-V293 WeakPolarHBondContact O-CA 3.31Å; L281-S294 PolarHBondContact N-O 2.84Å; L281-S294 PolarHBondContact O-N 3.3Å; L281-V352 WeakPolarHBondContact CB-O 3.14Å; L281-V352 HydrophobicContact CD2-CG1 4.25Å |
| 282 | V | 91.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.2 | 174.1 | -171.9 | 0 | 0 | 0 | 0 | 107.9 | W257 Y258 C259 T292 V293 I311 I334 | W257-V282 HydrophobicContact CD2-CG2 4.2Å; W257-V282 HydrophobicContact CE3-CB 3.56Å; W257-V282 HydrophobicContact CE3-CG1 4.45Å; W257-V282 HydrophobicContact CE3-CG2 3.25Å; W257-V282 HydrophobicContact CZ3-CB 3.72Å; W257-V282 HydrophobicContact CZ3-CG1 4.12Å; W257-V282 HydrophobicContact CZ3-CG2 3.56Å; W257-V282 PolarHBondContact O-N 3.36Å; Y258-V282 CarbonylContact C-O 3.56Å; Y258-V282 WeakPolarHBondContact CA-O 3.46Å; Y258-V282 HydrophobicContact CD2-CB 4.18Å; Y258-V282 HydrophobicContact CD2-CG1 4.08Å; Y258-V282 HydrophobicContact CE2-CG1 4.49Å; C259-V282 PolarHBondContact N-O 3.17Å; V282-T292 WeakPolarHBondContact CA-O 3.04Å; V282-V293 HydrophobicContact CG2-CG2 4.09Å; V282-I311 HydrophobicContact CG1-CD1 4.18Å; V282-I334 HydrophobicContact CG2-CD1 3.52Å; V282-I334 HydrophobicContact CG2-CG1 4.08Å |
| 283 | R | 89.4 | Confident | 83.8 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 164 | -178.9 | 56 | 178.2 | -177.6 | 81.3 | -4.7 | 110.3 | C259 M262 L281 S285 Y291 T292 S294 | C259-R283 WeakPolarHBondContact O-CA 3.32Å; C259-R283 VanDerWaalsContact O-CB 3.27Å; C259-R283 WeakPolarHBondContact O-CB 3.4Å; M262-R283 HydrophobicContact CB-CB 4.18Å; M262-R283 WeakPolarHBondContact O-CD 3.42Å; L281-R283 HydrophobicContact CD1-CB 4.15Å; L281-R283 HydrophobicContact CD1-CG 4.19Å; R283-S285 PolarHBondContact O-N 2.8Å; R283-Y291 WeakPolarHBondContact O-CA 3.43Å; R283-T292 PolarHBondContact N-O 2.91Å; R283-T292 PolarHBondContact O-N 3.4Å; R283-S294 PolarHBondContact NE-OG 3.33Å |
| 284 | D | 83.9 | Confident | 84.4 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 137.8 | 167.2 | -74.2 | -24.6 | 0 | 0 | 0 | 109.5 | Y258 K260 Y291 | Y258-D284 PolarHBondContact OH-OD1 3.1Å; K260-D284 VanDerWaalsContact CG-OD2 3.23Å; K260-D284 WeakPolarHBondContact CG-OD2 3.37Å; K260-D284 WeakPolarHBondContact O-CB 3.42Å; K260-D284 PolarHBondContact O-N 3.39Å; D284-Y291 WeakPolarHBondContact OD1-CD1 3.39Å; D284-Y291 VanDerWaalsContact OD1-CE1 3.25Å; D284-Y291 WeakPolarHBondContact OD1-CE1 3.29Å |
| 285 | S | 80.7 | Confident | 84.9 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | trans | -74.7 | 157 | 168.8 | -159.2 | 0 | 0 | 0 | 0 | 108.2 | R283 K287 K290 T292 | R283-S285 PolarHBondContact O-N 2.8Å; S285-K287 PolarHBondContact O-N 2.64Å; S285-K290 WeakPolarHBondContact CA-O 3.44Å; S285-K290 VanDerWaalsContact CB-C 3.44Å; S285-K290 WeakPolarHBondContact CB-O 3.47Å; S285-K290 PolarHBondContact N-O 3.45Å; S285-T292 PolarHBondContact OG-OG1 2.81Å | ||
| 286 | S | 70.1 | Confident | 85.4 | Confident | 66 Ų | 66 | 33.8 Ų | 33.8 | 46% | 0.462 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -61.3 | -11 | 172.2 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | Y632 | S286-Y632 WeakPolarHBondContact OG-CD2 3.46Å; S286-Y632 WeakPolarHBondContact OG-CE2 3.27Å |
| 287 | K | 64.9 | Low | 85.5 | Confident | 101 Ų | 101 | 30.6 Ų | 30.6 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -97 | 126 | 171.5 | -65.6 | -177.4 | 179.7 | 177.4 | 0 | 109.7 | S285 G289 K290 Y632 | S285-K287 PolarHBondContact O-N 2.64Å; K287-G289 PolarHBondContact O-N 3Å; K287-K290 HydrophobicContact CB-CB 4.26Å; K287-K290 HydrophobicContact CB-CD 4.07Å; K287-K290 HydrophobicContact CB-CG 4.26Å; K287-K290 HydrophobicContact CD-CD 4.22Å; K287-K290 PolarHBondContact O-N 3.38Å; K287-Y632 WeakPolarHBondContact CE-OH 3.21Å; K287-Y632 PolarHBondContact NZ-OH 3.4Å |
| 288 | A | 67.8 | Low | 85.2 | Confident | 108 Ų | 108 | 33.8 Ų | 33.8 | 89% | 0.893 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 130.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K290 | A288-K290 VanDerWaalsContact C-N 3.31Å; A288-K290 PolarHBondContact O-N 2.62Å |
| 289 | G | 70.4 | Confident | 84 | Confident | 64 Ų | 64 | 35.8 Ų | 35.8 | 66% | 0.66 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 12.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K287 | K287-G289 PolarHBondContact O-N 3Š|
| 290 | K | 83.4 | Confident | 82.3 | Confident | 103 Ų | 103 | 40.3 Ų | 40.3 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | trans | -118 | 156.7 | 172.5 | -63.5 | -167 | 178 | -170.5 | 0 | 110.7 | S285 K287 A288 | S285-K290 WeakPolarHBondContact CA-O 3.44Å; S285-K290 VanDerWaalsContact CB-C 3.44Å; S285-K290 WeakPolarHBondContact CB-O 3.47Å; S285-K290 PolarHBondContact N-O 3.45Å; K287-K290 HydrophobicContact CB-CB 4.26Å; K287-K290 HydrophobicContact CB-CD 4.07Å; K287-K290 HydrophobicContact CB-CG 4.26Å; K287-K290 HydrophobicContact CD-CD 4.22Å; K287-K290 PolarHBondContact O-N 3.38Å; A288-K290 VanDerWaalsContact C-N 3.31Å; A288-K290 PolarHBondContact O-N 2.62Å | ||
| 291 | Y | 89.8 | Confident | 80.4 | Confident | 38 Ų | 38 | 48 Ų | 48 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 155.3 | -176.3 | -55.1 | -79.3 | 0 | 0 | 0 | 111.1 | L252 Y258 R283 D284 I311 I330 | L252-Y291 HydrophobicContact CD1-CD1 4.49Å; L252-Y291 HydrophobicContact CD1-CE1 3.88Å; L252-Y291 HydrophobicContact CD1-CE2 4.33Å; Y258-Y291 AromaticContact CE2-CD1 3.86Å; Y258-Y291 HydrophobicContact CE2-CD1 3.86Å; Y258-Y291 AromaticContact CE2-CE1 3.95Å; Y258-Y291 HydrophobicContact CE2-CE1 3.95Å; Y258-Y291 WeakPolarHBondContact OH-CE1 3.32Å; R283-Y291 WeakPolarHBondContact O-CA 3.43Å; D284-Y291 WeakPolarHBondContact OD1-CD1 3.39Å; D284-Y291 VanDerWaalsContact OD1-CE1 3.25Å; D284-Y291 WeakPolarHBondContact OD1-CE1 3.29Å; Y291-I311 PolarHBondContact O-N 3.24Å; Y291-I330 HydrophobicContact CD1-CD1 4.5Å; Y291-I330 HydrophobicContact CD2-CD1 3.17Å; Y291-I330 HydrophobicContact CE2-CD1 3.43Å; Y291-I330 VanDerWaalsContact CE2-CD1 3.43Å; Y291-I330 HydrophobicContact CG-CD1 3.76Å |
| 292 | T | 91.8 | Very high | 78.5 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129.4 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | V282 R283 S285 H308 Y309 N310 | V282-T292 WeakPolarHBondContact CA-O 3.04Å; R283-T292 PolarHBondContact N-O 2.91Å; R283-T292 PolarHBondContact O-N 3.4Å; S285-T292 PolarHBondContact OG-OG1 2.81Å; T292-H308 HydrophobicContact CG2-CB 3.92Å; T292-Y309 CarbonylContact C-O 3.51Å; T292-Y309 WeakPolarHBondContact CA-O 3.46Å; T292-N310 PolarHBondContact OG1-OD1 2.56Å |
| 293 | V | 93.3 | Very high | 77 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.8 | 171.2 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | F280 L281 V282 V295 H308 Y309 I311 L321 I334 M344 L348 | F280-V293 HydrophobicContact CD2-CG1 4.46Å; L281-V293 WeakPolarHBondContact O-CA 3.31Å; V282-V293 HydrophobicContact CG2-CG2 4.09Å; V293-V295 HydrophobicContact CG1-CG2 3.9Å; V293-H308 CarbonylContact O-C 3.56Å; V293-H308 WeakPolarHBondContact O-CA 3.37Å; V293-Y309 PolarHBondContact N-O 3.14Å; V293-Y309 PolarHBondContact O-N 3.18Å; V293-I311 HydrophobicContact CG2-CD1 3.77Å; V293-I311 HydrophobicContact CG2-CG1 3.85Å; V293-L321 HydrophobicContact CB-CD2 4.39Å; V293-L321 HydrophobicContact CG2-CD1 4.02Å; V293-L321 HydrophobicContact CG2-CD2 3.98Å; V293-I334 HydrophobicContact CG1-CD1 4.49Å; V293-I334 HydrophobicContact CG2-CD1 3.86Å; V293-M344 HydrophobicContact CG1-CE 4.45Å; V293-L348 HydrophobicContact CG1-CD1 4.41Å; V293-L348 HydrophobicContact CG1-CD2 4.08Å |
| 294 | S | 93 | Very high | 76.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 109.2 | F280 L281 R283 R307 H308 | F280-S294 CarbonylContact C-O 3.58Å; F280-S294 WeakPolarHBondContact CA-O 3.47Å; L281-S294 PolarHBondContact N-O 2.84Å; L281-S294 PolarHBondContact O-N 3.3Å; R283-S294 PolarHBondContact NE-OG 3.33Å; S294-R307 CarbonylContact C-O 3.58Å; S294-R307 WeakPolarHBondContact CA-O 3.31Å; S294-H308 WeakPolarHBondContact CB-ND1 3.38Å; S294-H308 PolarHBondContact OG-ND1 3.47Å |
| 295 | V | 93 | Very high | 76.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.3 | -172.9 | -173.1 | 0 | 0 | 0 | 0 | 111 | G279 F280 V293 C306 R307 Y309 M344 L348 | G279-V295 CarbonylContact O-C 3.54Å; G279-V295 WeakPolarHBondContact O-CA 3.38Å; F280-V295 HydrophobicContact CB-CG2 4.06Å; V293-V295 HydrophobicContact CG1-CG2 3.9Å; V295-C306 CarbonylContact O-C 3.56Å; V295-C306 WeakPolarHBondContact O-CA 3.45Å; V295-R307 PolarHBondContact N-O 2.99Å; V295-R307 PolarHBondContact O-N 3.42Å; V295-Y309 HydrophobicContact CB-CE2 4.41Å; V295-Y309 HydrophobicContact CG2-CD2 4.29Å; V295-Y309 HydrophobicContact CG2-CE2 4.17Å; V295-M344 HydrophobicContact CG2-CE 3.77Å; V295-L348 HydrophobicContact CG1-CD2 4.39Å; V295-L348 HydrophobicContact CG2-CD2 3.48Å; V295-L348 VanDerWaalsContact CG2-CD2 3.48Å |
| 296 | F | 92.6 | Very high | 76.6 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137 | 172.7 | -174.2 | -102.3 | 0 | 0 | 0 | 111.5 | L271 K272 N275 K276 G278 G279 K298 | L271-F296 HydrophobicContact CB-CB 4.16Å; L271-F296 HydrophobicContact CD2-CB 4.33Å; K272-F296 HydrophobicContact CB-CE2 4.5Å; K272-F296 HydrophobicContact CG-CD2 4.3Å; K272-F296 HydrophobicContact CG-CE2 3.95Å; N275-F296 WeakPolarHBondContact OD1-CE1 3.12Å; N275-F296 WeakPolarHBondContact OD1-CZ 3.42Å; K276-F296 VanDerWaalsContact O-CD1 3.3Å; K276-F296 WeakPolarHBondContact O-CD1 3.44Å; G278-F296 WeakPolarHBondContact CA-O 3.46Å; G278-F296 PolarHBondContact N-O 3.3Å; G279-F296 PolarHBondContact O-N 2.79Å; F296-K298 HydrophobicContact CE1-CG 3.75Å; F296-K298 HydrophobicContact CZ-CG 4.42Å |
| 297 | T | 88.3 | Confident | 77.5 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.5 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | D277 G299 G304 N305 V345 | D277-T297 VanDerWaalsContact OD1-CA 3.27Å; D277-T297 WeakPolarHBondContact OD1-CA 3.34Å; D277-T297 PolarHBondContact OD1-OG1 2.81Å; T297-G299 VanDerWaalsContact C-N 3.27Å; T297-G299 PolarHBondContact O-N 2.9Å; T297-G304 CarbonylContact O-C 3.53Å; T297-G304 WeakPolarHBondContact O-CA 3.21Å; T297-N305 PolarHBondContact N-O 3.33Å; T297-N305 PolarHBondContact O-N 3.44Å; T297-V345 HydrophobicContact CG2-CB 4.21Å; T297-V345 HydrophobicContact CG2-CG2 3.91Å |
| 298 | K | 81.6 | Confident | 78.7 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | trans | -89.5 | 67.2 | 166.5 | -63.6 | -177.3 | -178.6 | -180 | 0 | 108.3 | N275 D277 F296 | N275-K298 WeakPolarHBondContact O-CE 3.09Å; N275-K298 PolarHBondContact O-NZ 3.03Å; N275-K298 WeakPolarHBondContact OD1-CE 3.35Å; D277-K298 HydrophobicContact CB-CB 4.3Å; D277-K298 HydrophobicContact CB-CD 4.34Å; D277-K298 HydrophobicContact CB-CG 4.15Å; D277-K298 PolarHBondContact OD1-N 3.25Å; F296-K298 HydrophobicContact CE1-CG 3.75Å; F296-K298 HydrophobicContact CZ-CG 4.42Å | ||
| 299 | G | 61.4 | Low | 79.7 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | trans | -58.8 | 148.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | T297 E301 | T297-G299 VanDerWaalsContact C-N 3.27Å; T297-G299 PolarHBondContact O-N 2.9Å; G299-E301 PolarHBondContact O-N 3.34Å | ||
| 300 | G | 55.1 | Low | 80.6 | Confident | 97 Ų | 97 | 59.1 Ų | 59.1 | 100% | 1 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -58.6 | 18.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 301 | E | 53.1 | Low | 81 | Confident | 161 Ų | 161 | 54.3 Ų | 54.3 | 75% | 0.752 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -91.5 | 156.4 | 165.4 | -69.2 | -179.7 | 167.8 | 0 | 0 | 110.9 | G299 A303 | G299-E301 PolarHBondContact O-N 3.34Å; E301-A303 PolarHBondContact O-N 2.8Å |
| 302 | T | 53.2 | Low | 80.8 | Confident | 162 Ų | 162 | 54.8 Ų | 54.8 | 99% | 0.994 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -63.9 | -6.9 | -176.6 | 39.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 303 | A | 60.6 | Low | 80.5 | Confident | 70 Ų | 70 | 58 Ų | 58 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -126.5 | 120.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E301 | E301-A303 PolarHBondContact O-N 2.8Š|
| 304 | G | 73.3 | Confident | 80.1 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 27% | 0.268 | 36% | 0.357 | S | S | . | . | trans | -64.6 | 149.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T297 | T297-G304 CarbonylContact O-C 3.53Å; T297-G304 WeakPolarHBondContact O-CA 3.21Å | ||
| 305 | N | 83.8 | Confident | 79.5 | Confident | 81 Ų | 81 | 69.5 Ų | 69.5 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146 | -170.9 | -157.4 | -7.3 | 0 | 0 | 0 | 111.7 | T297 | T297-N305 PolarHBondContact N-O 3.33Å; T297-N305 PolarHBondContact O-N 3.44Å |
| 306 | C | 87.9 | Confident | 79 | Confident | 9 Ų | 9 | 77.5 Ų | 77.5 | 6% | 0.061 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 140 | 177.4 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | E268 V295 | E268-C306 HydrophobicContact CB-CB 4.47Å; E268-C306 HydrophobicContact CG-CB 3.77Å; V295-C306 CarbonylContact O-C 3.56Å; V295-C306 WeakPolarHBondContact O-CA 3.45Å |
| 307 | R | 89.4 | Confident | 78.5 | Confident | 132 Ų | 132 | 79.3 Ų | 79.3 | 50% | 0.498 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.2 | 177.3 | -68 | -72.6 | -170.8 | 171.9 | -0.1 | 109.8 | S294 V295 Y309 V345 | S294-R307 CarbonylContact C-O 3.58Å; S294-R307 WeakPolarHBondContact CA-O 3.31Å; V295-R307 PolarHBondContact N-O 2.99Å; V295-R307 PolarHBondContact O-N 3.42Å; R307-Y309 HydrophobicContact CB-CE2 3.76Å; R307-V345 HydrophobicContact CB-CG1 4.49Å; R307-V345 HydrophobicContact CB-CG2 4.1Å; R307-V345 HydrophobicContact CG-CB 4.45Å; R307-V345 HydrophobicContact CG-CG1 3.76Å; R307-V345 HydrophobicContact CG-CG2 3.95Å |
| 308 | H | 89.5 | Confident | 78.5 | Confident | 44 Ų | 44 | 81.6 Ų | 81.6 | 20% | 0.204 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.4 | -178.3 | -53.6 | -83.7 | 0 | 0 | 0 | 109.8 | R264 E268 T292 V293 S294 | R264-H308 PolarHBondContact NE-CD2 3.19Å; R264-H308 PolarHBondContact NE-NE2 2.89Å; E268-H308 WeakPolarHBondContact CG-NE2 3.31Å; E268-H308 IonicContact OE1-NE2 2.73Å; E268-H308 PolarHBondContact OE1-NE2 3.35Å; E268-H308 VanDerWaalsContact OE1-NE2 3.17Å; T292-H308 HydrophobicContact CG2-CB 3.92Å; V293-H308 CarbonylContact O-C 3.56Å; V293-H308 WeakPolarHBondContact O-CA 3.37Å; S294-H308 WeakPolarHBondContact CB-ND1 3.38Å; S294-H308 PolarHBondContact OG-ND1 3.47Å |
| 309 | Y | 89.4 | Confident | 78.8 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 18% | 0.18 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.6 | -179.2 | -56.4 | -95.9 | 0 | 0 | 0 | 109.4 | T292 V293 V295 R307 M344 V345 | T292-Y309 CarbonylContact C-O 3.51Å; T292-Y309 WeakPolarHBondContact CA-O 3.46Å; V293-Y309 PolarHBondContact N-O 3.14Å; V293-Y309 PolarHBondContact O-N 3.18Å; V295-Y309 HydrophobicContact CB-CE2 4.41Å; V295-Y309 HydrophobicContact CG2-CD2 4.29Å; V295-Y309 HydrophobicContact CG2-CE2 4.17Å; R307-Y309 HydrophobicContact CB-CE2 3.76Å; Y309-M344 HydrophobicContact CD1-CE 4.46Å; Y309-M344 HydrophobicContact CD1-CG 4.47Å; Y309-M344 HydrophobicContact CD2-CE 3.47Å; Y309-M344 VanDerWaalsContact CD2-CE 3.47Å; Y309-M344 HydrophobicContact CE1-CB 4.35Å; Y309-M344 HydrophobicContact CE1-CG 4.14Å; Y309-M344 HydrophobicContact CE2-CE 3.56Å; Y309-M344 HydrophobicContact CG-CE 3.95Å; Y309-V345 VanDerWaalsContact OH-CG1 3.28Å; Y309-V345 WeakPolarHBondContact OH-CG1 3.4Å; Y309-V345 WeakPolarHBondContact OH-CG2 3.41Å; Y309-V345 PolarHBondContact OH-N 3.12Å |
| 310 | N | 90 | Very high | 80 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 51% | 0.508 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132.5 | 177.1 | -67 | -34.7 | 0 | 0 | 0 | 110 | T292 C312 | T292-N310 PolarHBondContact OG1-OD1 2.56Å; N310-C312 PolarHBondContact O-N 2.98Å |
| 311 | I | 90.1 | Very high | 81.4 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.015 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 112.1 | 169.2 | -54.7 | -171.7 | 0 | 0 | 0 | 106.9 | V282 Y291 V293 F319 L321 I330 L333 | V282-I311 HydrophobicContact CG1-CD1 4.18Å; Y291-I311 PolarHBondContact O-N 3.24Å; V293-I311 HydrophobicContact CG2-CD1 3.77Å; V293-I311 HydrophobicContact CG2-CG1 3.85Å; I311-F319 HydrophobicContact CG2-CB 3.93Å; I311-F319 HydrophobicContact CG2-CD1 3.87Å; I311-F319 HydrophobicContact CG2-CG 4.33Å; I311-L321 HydrophobicContact CG1-CD2 3.9Å; I311-I330 HydrophobicContact CD1-CD1 4.33Å; I311-I330 HydrophobicContact CD1-CG1 4.27Å; I311-I330 HydrophobicContact CD1-CG2 3.8Å; I311-I330 HydrophobicContact CG2-CG1 4.37Å; I311-L333 HydrophobicContact CD1-CD2 4.46Å; I311-L333 HydrophobicContact CG2-CD1 3.93Å |
| 312 | C | 85.9 | Confident | 82.3 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 32% | 0.324 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 150.1 | 178.1 | -70.8 | 0 | 0 | 0 | 0 | 110.2 | N310 F319 Y320 | N310-C312 PolarHBondContact O-N 2.98Å; C312-F319 CarbonylContact O-C 3.48Å; C312-F319 VanDerWaalsContact O-CA 3.3Å; C312-F319 WeakPolarHBondContact O-CA 3.35Å; C312-Y320 HydrophobicContact CB-CD1 3.9Å; C312-Y320 HydrophobicContact CB-CD2 4.07Å; C312-Y320 HydrophobicContact CB-CE1 3.39Å; C312-Y320 HydrophobicContact CB-CE2 3.61Å; C312-Y320 HydrophobicContact CB-CG 4.23Å; C312-Y320 PolarHBondContact N-O 2.87Å; C312-Y320 WeakPolarHBondContact O-CD1 3.21Å; C312-Y320 PolarHBondContact O-N 3.25Å |
| 313 | T | 86 | Confident | 82.9 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.8 | 176.9 | -46.4 | 0 | 0 | 0 | 0 | 108.8 | Q318 F319 | T313-Q318 CarbonylContact C-O 3.55Å; T313-Q318 WeakPolarHBondContact CA-O 3.36Å; T313-F319 HydrophobicContact CG2-CE1 4.38Å |
| 314 | T | 84.3 | Confident | 83.4 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | trans | -72.1 | 166.5 | 174.5 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | Q316 G317 Q318 Y320 | T314-Q316 PolarHBondContact O-N 3.08Å; T314-Q316 VanDerWaalsContact O-N 3.08Å; T314-Q316 PolarHBondContact OG1-N 3.14Å; T314-G317 PolarHBondContact O-N 3.26Å; T314-Q318 HydrophobicContact CG2-CB 4.47Å; T314-Q318 PolarHBondContact N-O 2.83Å; T314-Q318 WeakPolarHBondContact OG1-CB 3.39Å; T314-Q318 PolarHBondContact OG1-N 3.01Å; T314-Q318 PolarHBondContact OG1-O 2.88Å; T314-Y320 HydrophobicContact CG2-CD1 3.69Å; T314-Y320 HydrophobicContact CG2-CE1 3.68Å | ||
| 315 | Q | 81.4 | Confident | 83.8 | Confident | 208 Ų | 208 | 77.1 Ų | 77.1 | 97% | 0.972 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.8 | 173.8 | -64.7 | -178.3 | 8.4 | 0 | 0 | 113.3 | ||
| 316 | Q | 82.1 | Confident | 84 | Confident | 168 Ų | 168 | 76.7 Ų | 76.7 | 79% | 0.785 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.8 | 178.3 | -64.4 | 175.8 | -13.7 | 0 | 0 | 112.9 | T314 Q318 | T314-Q316 PolarHBondContact O-N 3.08Å; T314-Q316 VanDerWaalsContact O-N 3.08Å; T314-Q316 PolarHBondContact OG1-N 3.14Å; Q316-Q318 VanDerWaalsContact C-N 3.34Å; Q316-Q318 PolarHBondContact O-N 3.23Å |
| 317 | G | 81.9 | Confident | 84.1 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 81.5 | 5.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T314 | T314-G317 PolarHBondContact O-N 3.26Š|
| 318 | Q | 87.9 | Confident | 84 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | trans | -83.9 | 144.1 | 178 | -56.1 | -177.1 | -48 | 0 | 0 | 111.8 | T313 T314 Q316 N326 F327 | T313-Q318 CarbonylContact C-O 3.55Å; T313-Q318 WeakPolarHBondContact CA-O 3.36Å; T314-Q318 HydrophobicContact CG2-CB 4.47Å; T314-Q318 PolarHBondContact N-O 2.83Å; T314-Q318 WeakPolarHBondContact OG1-CB 3.39Å; T314-Q318 PolarHBondContact OG1-N 3.01Å; T314-Q318 PolarHBondContact OG1-O 2.88Å; Q316-Q318 VanDerWaalsContact C-N 3.34Å; Q316-Q318 PolarHBondContact O-N 3.23Å; Q318-N326 HydrophobicContact CB-CB 3.97Å; Q318-F327 CarbonylContact C-O 3.59Å; Q318-F327 VanDerWaalsContact CA-O 3.28Å; Q318-F327 WeakPolarHBondContact CA-O 3.37Å; Q318-F327 WeakPolarHBondContact CB-O 3.5Å | ||
| 319 | F | 88.6 | Confident | 83.9 | Confident | 44 Ų | 44 | 75.2 Ų | 75.2 | 19% | 0.193 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.8 | -178.7 | -58.6 | -81.9 | 0 | 0 | 0 | 112.3 | I311 C312 T313 N326 F327 I330 L333 | I311-F319 HydrophobicContact CG2-CB 3.93Å; I311-F319 HydrophobicContact CG2-CD1 3.87Å; I311-F319 HydrophobicContact CG2-CG 4.33Å; C312-F319 CarbonylContact O-C 3.48Å; C312-F319 VanDerWaalsContact O-CA 3.3Å; C312-F319 WeakPolarHBondContact O-CA 3.35Å; T313-F319 HydrophobicContact CG2-CE1 4.38Å; F319-N326 CarbonylContact O-C 3.47Å; F319-F327 PolarHBondContact N-O 3.38Å; F319-F327 WeakPolarHBondContact O-CD2 3.32Å; F319-F327 PolarHBondContact O-N 3.16Å; F319-I330 HydrophobicContact CB-CG1 4.46Å; F319-I330 HydrophobicContact CD1-CD1 4.23Å; F319-I330 HydrophobicContact CD1-CG1 3.91Å; F319-I330 HydrophobicContact CD2-CG1 4.19Å; F319-I330 HydrophobicContact CE1-CD1 4.11Å; F319-I330 HydrophobicContact CE1-CG1 4.15Å; F319-I330 HydrophobicContact CE2-CG1 4.43Å; F319-I330 HydrophobicContact CG-CG1 3.92Å; F319-I330 HydrophobicContact CZ-CG1 4.41Å; F319-L333 HydrophobicContact CB-CD1 3.91Å |
| 320 | Y | 87.1 | Confident | 83.8 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 18% | 0.18 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 152.5 | 175.1 | 68.2 | -83.3 | 0 | 0 | 0 | 112.5 | C312 T314 E323 H325 | C312-Y320 HydrophobicContact CB-CD1 3.9Å; C312-Y320 HydrophobicContact CB-CD2 4.07Å; C312-Y320 HydrophobicContact CB-CE1 3.39Å; C312-Y320 HydrophobicContact CB-CE2 3.61Å; C312-Y320 HydrophobicContact CB-CG 4.23Å; C312-Y320 PolarHBondContact N-O 2.87Å; C312-Y320 WeakPolarHBondContact O-CD1 3.21Å; C312-Y320 PolarHBondContact O-N 3.25Å; T314-Y320 HydrophobicContact CG2-CD1 3.69Å; T314-Y320 HydrophobicContact CG2-CE1 3.68Å; Y320-E323 HydrophobicContact CD2-CG 4.33Å; Y320-E323 HydrophobicContact CE2-CB 4.34Å; Y320-E323 HydrophobicContact CE2-CG 3.63Å; Y320-H325 WeakPolarHBondContact CB-O 3.34Å |
| 321 | L | 83.4 | Confident | 83.8 | Confident | 26 Ų | 26 | 69.9 Ų | 69.9 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -103.8 | -29.4 | 169.3 | -76.9 | 172.4 | 0 | 0 | 0 | 112.5 | V293 I311 L333 M344 | V293-L321 HydrophobicContact CB-CD2 4.39Å; V293-L321 HydrophobicContact CG2-CD1 4.02Å; V293-L321 HydrophobicContact CG2-CD2 3.98Å; I311-L321 HydrophobicContact CG1-CD2 3.9Å; L321-L333 HydrophobicContact CD1-CD2 3.51Å; L321-L333 HydrophobicContact CD1-CG 4.39Å; L321-L333 HydrophobicContact CG-CD1 4.2Å; L321-L333 HydrophobicContact CG-CD2 3.83Å; L321-L333 HydrophobicContact CG-CG 4.36Å; L321-M344 HydrophobicContact CD1-CE 4.17Å; L321-M344 HydrophobicContact CD1-SD 3.9Å |
| 322 | A | 73.9 | Confident | 83.7 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 26% | 0.264 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -131.4 | 132.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | K324 H325 | A322-K324 PolarHBondContact O-N 3.13Å; A322-H325 PolarHBondContact O-N 3.5Å; A322-H325 VanDerWaalsContact O-N 3.1Å |
| 323 | E | 65.7 | Low | 84 | Confident | 163 Ų | 163 | 70.9 Ų | 70.9 | 76% | 0.762 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -12 | -170.3 | -69.3 | -179.2 | 169.9 | 0 | 0 | 115.4 | Y320 | Y320-E323 HydrophobicContact CD2-CG 4.33Å; Y320-E323 HydrophobicContact CE2-CB 4.34Å; Y320-E323 HydrophobicContact CE2-CG 3.63Å |
| 324 | K | 71.2 | Confident | 84.3 | Confident | 189 Ų | 189 | 67.6 Ų | 67.6 | 82% | 0.822 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.1 | -178.9 | -64.2 | -174.5 | 178.5 | -178.5 | 0 | 114.4 | A322 | A322-K324 PolarHBondContact O-N 3.13Š|
| 325 | H | 81.3 | Confident | 84.5 | Confident | 72 Ų | 72 | 70 Ų | 70 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | trans | -136.9 | 113 | -175.7 | -62.6 | -66.5 | 0 | 0 | 0 | 111.9 | Y320 A322 F327 Y336 | Y320-H325 WeakPolarHBondContact CB-O 3.34Å; A322-H325 PolarHBondContact O-N 3.5Å; A322-H325 VanDerWaalsContact O-N 3.1Å; H325-F327 HydrophobicContact CB-CE2 3.87Å; H325-F327 HydrophobicContact CB-CZ 3.82Å; H325-F327 WeakPolarHBondContact O-CE2 3.49Å; H325-Y336 PolarHBondContact NE2-OH 2.98Å | ||
| 326 | N | 87.9 | Confident | 84.9 | Confident | 73 Ų | 73 | 63 Ų | 63 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | trans | -106.3 | 140.1 | -179.9 | -60.3 | -25.2 | 0 | 0 | 0 | 110.8 | Q318 F319 | Q318-N326 HydrophobicContact CB-CB 3.97Å; F319-N326 CarbonylContact O-C 3.47Å | ||
| 327 | F | 89.9 | Confident | 85.2 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -127.4 | 148.8 | -175.7 | -56.2 | -81.6 | 0 | 0 | 0 | 111.5 | Q318 F319 H325 S329 D332 L333 Y336 | Q318-F327 CarbonylContact C-O 3.59Å; Q318-F327 VanDerWaalsContact CA-O 3.28Å; Q318-F327 WeakPolarHBondContact CA-O 3.37Å; Q318-F327 WeakPolarHBondContact CB-O 3.5Å; F319-F327 PolarHBondContact N-O 3.38Å; F319-F327 WeakPolarHBondContact O-CD2 3.32Å; F319-F327 PolarHBondContact O-N 3.16Å; H325-F327 HydrophobicContact CB-CE2 3.87Å; H325-F327 HydrophobicContact CB-CZ 3.82Å; H325-F327 WeakPolarHBondContact O-CE2 3.49Å; F327-S329 VanDerWaalsContact C-N 3.34Å; F327-D332 HydrophobicContact CB-CB 4.31Å; F327-D332 HydrophobicContact CD1-CB 4.34Å; F327-L333 HydrophobicContact CB-CB 3.95Å; F327-L333 HydrophobicContact CD2-CB 3.48Å; F327-L333 VanDerWaalsContact CD2-CB 3.48Å; F327-L333 HydrophobicContact CD2-CD1 3.95Å; F327-L333 HydrophobicContact CD2-CG 3.7Å; F327-L333 HydrophobicContact CE2-CB 4.13Å; F327-L333 HydrophobicContact CE2-CG 4.05Å; F327-L333 HydrophobicContact CG-CB 3.73Å; F327-L333 HydrophobicContact CG-CG 4.45Å; F327-Y336 HydrophobicContact CE1-CD1 4.2Å; F327-Y336 HydrophobicContact CE1-CD2 4.07Å; F327-Y336 AromaticContact CE1-CG 3.67Å; F327-Y336 HydrophobicContact CE1-CG 3.67Å; F327-Y336 HydrophobicContact CE2-CD1 4.34Å; F327-Y336 AromaticContact CZ-CD1 3.47Å; F327-Y336 HydrophobicContact CZ-CD1 3.47Å; F327-Y336 VanDerWaalsContact CZ-CD1 3.47Å; F327-Y336 HydrophobicContact CZ-CD2 4.09Å; F327-Y336 HydrophobicContact CZ-CE1 4.15Å; F327-Y336 AromaticContact CZ-CG 3.42Å; F327-Y336 HydrophobicContact CZ-CG 3.42Å; F327-Y336 VanDerWaalsContact CZ-CG 3.42Å |
| 328 | S | 86.6 | Confident | 85.5 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -71.2 | -27.4 | 175.9 | 34.7 | 0 | 0 | 0 | 0 | 113.4 | D332 | S328-D332 PolarHBondContact OG-OD2 3.33Å; S328-D332 VanDerWaalsContact OG-OD2 3.09Å |
| 329 | S | 87 | Confident | 85.4 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -143.6 | 155.8 | -177.3 | 79.6 | 0 | 0 | 0 | 0 | 111.4 | F327 P331 D332 L333 | F327-S329 VanDerWaalsContact C-N 3.34Å; S329-P331 WeakPolarHBondContact OG-CD 3.41Å; S329-D332 PolarHBondContact O-N 3.17Å; S329-D332 PolarHBondContact OG-N 3.01Å; S329-D332 PolarHBondContact OG-OD2 3.45Å; S329-L333 PolarHBondContact O-N 2.91Å |
| 330 | I | 89 | Confident | 85.2 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 173.8 | -65.6 | 171.5 | 0 | 0 | 0 | 111.7 | L252 W257 Y291 I311 F319 D332 L333 I334 | L252-I330 HydrophobicContact CD1-CD1 3.82Å; L252-I330 HydrophobicContact CD2-CB 3.87Å; L252-I330 HydrophobicContact CD2-CG2 4.17Å; W257-I330 HydrophobicContact CH2-CG2 3.87Å; W257-I330 HydrophobicContact CZ3-CG2 4.13Å; Y291-I330 HydrophobicContact CD1-CD1 4.5Å; Y291-I330 HydrophobicContact CD2-CD1 3.17Å; Y291-I330 HydrophobicContact CE2-CD1 3.43Å; Y291-I330 VanDerWaalsContact CE2-CD1 3.43Å; Y291-I330 HydrophobicContact CG-CD1 3.76Å; I311-I330 HydrophobicContact CD1-CD1 4.33Å; I311-I330 HydrophobicContact CD1-CG1 4.27Å; I311-I330 HydrophobicContact CD1-CG2 3.8Å; I311-I330 HydrophobicContact CG2-CG1 4.37Å; F319-I330 HydrophobicContact CB-CG1 4.46Å; F319-I330 HydrophobicContact CD1-CD1 4.23Å; F319-I330 HydrophobicContact CD1-CG1 3.91Å; F319-I330 HydrophobicContact CD2-CG1 4.19Å; F319-I330 HydrophobicContact CE1-CD1 4.11Å; F319-I330 HydrophobicContact CE1-CG1 4.15Å; F319-I330 HydrophobicContact CE2-CG1 4.43Å; F319-I330 HydrophobicContact CG-CG1 3.92Å; F319-I330 HydrophobicContact CZ-CG1 4.41Å; I330-D332 VanDerWaalsContact C-N 3.32Å; I330-D332 PolarHBondContact O-N 3.49Å; I330-L333 WeakPolarHBondContact O-CB 3.21Å; I330-L333 PolarHBondContact O-N 3.3Å; I330-I334 HydrophobicContact CG2-CG1 4.15Å; I330-I334 WeakPolarHBondContact O-CG1 3.37Å; I330-I334 PolarHBondContact O-N 2.84Å |
| 331 | P | 89.8 | Confident | 84.9 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 16% | 0.156 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57 | -41.7 | 173.5 | -28.6 | 37.4 | 0 | 0 | 0 | 113.6 | L252 F255 W257 S329 L333 I334 N335 | L252-P331 HydrophobicContact CD2-CG 3.99Å; F255-P331 HydrophobicContact CD2-CG 4.17Å; F255-P331 HydrophobicContact CE1-CB 4.37Å; F255-P331 HydrophobicContact CE2-CB 3.94Å; F255-P331 HydrophobicContact CE2-CG 3.32Å; F255-P331 HydrophobicContact CZ-CB 3.67Å; F255-P331 HydrophobicContact CZ-CG 3.59Å; W257-P331 HydrophobicContact CH2-CG 4.45Å; W257-P331 HydrophobicContact CZ2-CB 4.41Å; W257-P331 HydrophobicContact CZ2-CG 4.33Å; S329-P331 WeakPolarHBondContact OG-CD 3.41Å; P331-L333 VanDerWaalsContact C-N 3.34Å; P331-L333 PolarHBondContact O-N 3.04Å; P331-I334 PolarHBondContact O-N 3.28Å; P331-N335 WeakPolarHBondContact O-CB 3.36Å; P331-N335 PolarHBondContact O-N 2.93Å |
| 332 | D | 88.1 | Confident | 84.8 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.9 | -64.2 | -38.7 | 0 | 0 | 0 | 111.5 | F327 S328 S329 I330 N335 Y336 | F327-D332 HydrophobicContact CB-CB 4.31Å; F327-D332 HydrophobicContact CD1-CB 4.34Å; S328-D332 PolarHBondContact OG-OD2 3.33Å; S328-D332 VanDerWaalsContact OG-OD2 3.09Å; S329-D332 PolarHBondContact O-N 3.17Å; S329-D332 PolarHBondContact OG-N 3.01Å; S329-D332 PolarHBondContact OG-OD2 3.45Å; I330-D332 VanDerWaalsContact C-N 3.32Å; I330-D332 PolarHBondContact O-N 3.49Å; D332-N335 PolarHBondContact O-N 3.28Å; D332-Y336 WeakPolarHBondContact O-CB 3.38Å; D332-Y336 PolarHBondContact O-N 3.45Å |
| 333 | L | 91.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 175.4 | 175.5 | 162.2 | 0 | 0 | 0 | 111.3 | I311 F319 L321 F327 S329 I330 P331 Y336 H337 | I311-L333 HydrophobicContact CD1-CD2 4.46Å; I311-L333 HydrophobicContact CG2-CD1 3.93Å; F319-L333 HydrophobicContact CB-CD1 3.91Å; L321-L333 HydrophobicContact CD1-CD2 3.51Å; L321-L333 HydrophobicContact CD1-CG 4.39Å; L321-L333 HydrophobicContact CG-CD1 4.2Å; L321-L333 HydrophobicContact CG-CD2 3.83Å; L321-L333 HydrophobicContact CG-CG 4.36Å; F327-L333 HydrophobicContact CB-CB 3.95Å; F327-L333 HydrophobicContact CD2-CB 3.48Å; F327-L333 VanDerWaalsContact CD2-CB 3.48Å; F327-L333 HydrophobicContact CD2-CD1 3.95Å; F327-L333 HydrophobicContact CD2-CG 3.7Å; F327-L333 HydrophobicContact CE2-CB 4.13Å; F327-L333 HydrophobicContact CE2-CG 4.05Å; F327-L333 HydrophobicContact CG-CB 3.73Å; F327-L333 HydrophobicContact CG-CG 4.45Å; S329-L333 PolarHBondContact O-N 2.91Å; I330-L333 WeakPolarHBondContact O-CB 3.21Å; I330-L333 PolarHBondContact O-N 3.3Å; P331-L333 VanDerWaalsContact C-N 3.34Å; P331-L333 PolarHBondContact O-N 3.04Å; L333-Y336 PolarHBondContact O-N 3.45Å; L333-H337 PolarHBondContact O-CD2 3.06Å; L333-H337 VanDerWaalsContact O-CD2 3.26Å; L333-H337 PolarHBondContact O-N 3.39Å |
| 334 | I | 91.8 | Very high | 85.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 178.2 | -65.3 | -60.1 | 0 | 0 | 0 | 110.4 | W257 F280 V282 V293 I330 P331 Y336 H337 Q338 L348 | W257-I334 HydrophobicContact CD2-CG2 4.33Å; W257-I334 HydrophobicContact CE3-CG1 4.42Å; W257-I334 HydrophobicContact CH2-CG1 4.05Å; W257-I334 HydrophobicContact CZ2-CB 4.33Å; W257-I334 HydrophobicContact CZ2-CG1 4.16Å; W257-I334 HydrophobicContact CZ2-CG2 4.48Å; W257-I334 HydrophobicContact CZ3-CG1 4.18Å; F280-I334 HydrophobicContact CE2-CG2 3.69Å; F280-I334 HydrophobicContact CZ-CG2 3.94Å; V282-I334 HydrophobicContact CG2-CD1 3.52Å; V282-I334 HydrophobicContact CG2-CG1 4.08Å; V293-I334 HydrophobicContact CG1-CD1 4.49Å; V293-I334 HydrophobicContact CG2-CD1 3.86Å; I330-I334 HydrophobicContact CG2-CG1 4.15Å; I330-I334 WeakPolarHBondContact O-CG1 3.37Å; I330-I334 PolarHBondContact O-N 2.84Å; P331-I334 PolarHBondContact O-N 3.28Å; I334-Y336 VanDerWaalsContact C-N 3.32Å; I334-Y336 PolarHBondContact O-N 2.73Å; I334-H337 CarbonylContact O-C 3.58Å; I334-H337 PolarHBondContact O-N 3.16Å; I334-H337 VanDerWaalsContact O-N 3.14Å; I334-Q338 HydrophobicContact CG2-CG 4.37Å; I334-Q338 WeakPolarHBondContact O-CG 3.41Å; I334-Q338 PolarHBondContact O-N 3.23Å; I334-L348 HydrophobicContact CD1-CD1 3.92Å; I334-L348 HydrophobicContact CG2-CD1 4.2Å |
| 335 | N | 88.4 | Confident | 86.4 | Confident | 84 Ų | 84 | 49 Ų | 49 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 177.3 | -178.2 | 44.6 | 0 | 0 | 0 | 111.9 | P331 D332 H337 Q338 H339 | P331-N335 WeakPolarHBondContact O-CB 3.36Å; P331-N335 PolarHBondContact O-N 2.93Å; D332-N335 PolarHBondContact O-N 3.28Å; N335-H337 PolarHBondContact O-N 2.84Å; N335-Q338 PolarHBondContact O-N 2.97Å; N335-H339 PolarHBondContact O-ND1 3.32Å; N335-H339 PolarHBondContact OD1-CE1 3.26Å |
| 336 | Y | 89.9 | Confident | 86.6 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 174.8 | 177.7 | -93.8 | 0 | 0 | 0 | 112 | H325 F327 D332 L333 I334 Q338 H339 N340 A342 | H325-Y336 PolarHBondContact NE2-OH 2.98Å; F327-Y336 HydrophobicContact CE1-CD1 4.2Å; F327-Y336 HydrophobicContact CE1-CD2 4.07Å; F327-Y336 AromaticContact CE1-CG 3.67Å; F327-Y336 HydrophobicContact CE1-CG 3.67Å; F327-Y336 HydrophobicContact CE2-CD1 4.34Å; F327-Y336 AromaticContact CZ-CD1 3.47Å; F327-Y336 HydrophobicContact CZ-CD1 3.47Å; F327-Y336 VanDerWaalsContact CZ-CD1 3.47Å; F327-Y336 HydrophobicContact CZ-CD2 4.09Å; F327-Y336 HydrophobicContact CZ-CE1 4.15Å; F327-Y336 AromaticContact CZ-CG 3.42Å; F327-Y336 HydrophobicContact CZ-CG 3.42Å; F327-Y336 VanDerWaalsContact CZ-CG 3.42Å; D332-Y336 WeakPolarHBondContact O-CB 3.38Å; D332-Y336 PolarHBondContact O-N 3.45Å; L333-Y336 PolarHBondContact O-N 3.45Å; I334-Y336 VanDerWaalsContact C-N 3.32Å; I334-Y336 PolarHBondContact O-N 2.73Å; Y336-Q338 VanDerWaalsContact C-N 3.3Å; Y336-Q338 PolarHBondContact O-N 2.8Å; Y336-H339 PolarHBondContact O-N 3.13Å; Y336-H339 VanDerWaalsContact O-N 3.13Å; Y336-N340 HydrophobicContact CD1-CB 4.38Å; Y336-N340 HydrophobicContact CE1-CB 3.9Å; Y336-N340 HydrophobicContact CE2-CB 4.37Å; Y336-N340 PolarHBondContact O-N 2.75Å; Y336-N340 PolarHBondContact O-ND2 3.09Å; Y336-A342 HydrophobicContact CE1-CB 3.7Å |
| 337 | H | 89.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.2 | -14.4 | -177.8 | -77.3 | -74 | 0 | 0 | 0 | 114.4 | L333 I334 N335 H339 N340 M344 L348 | L333-H337 PolarHBondContact O-CD2 3.06Å; L333-H337 VanDerWaalsContact O-CD2 3.26Å; L333-H337 PolarHBondContact O-N 3.39Å; I334-H337 CarbonylContact O-C 3.58Å; I334-H337 PolarHBondContact O-N 3.16Å; I334-H337 VanDerWaalsContact O-N 3.14Å; N335-H337 PolarHBondContact O-N 2.84Å; H337-H339 VanDerWaalsContact C-N 3.3Å; H337-N340 VanDerWaalsContact CA-O 3.27Å; H337-N340 WeakPolarHBondContact CA-O 3.45Å; H337-N340 PolarHBondContact ND1-O 3.12Å; H337-M344 HydrophobicContact CB-SD 4.17Å; H337-M344 PolarHBondContact ND1-SD 3.2Å; H337-M344 VanDerWaalsContact ND1-SD 3.37Å; H337-L348 HydrophobicContact CB-CD1 3.62Å; H337-L348 HydrophobicContact CB-CG 3.92Å; H337-L348 PolarHBondContact O-N 2.68Å |
| 338 | Q | 87.5 | Confident | 86.7 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 27% | 0.266 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67 | -34.3 | 165.7 | -74.7 | 176.3 | -29.8 | 0 | 0 | 112.1 | F280 I334 N335 Y336 L348 | F280-Q338 HydrophobicContact CE1-CG 4.45Å; F280-Q338 HydrophobicContact CZ-CG 4.3Å; I334-Q338 HydrophobicContact CG2-CG 4.37Å; I334-Q338 WeakPolarHBondContact O-CG 3.41Å; I334-Q338 PolarHBondContact O-N 3.23Å; N335-Q338 PolarHBondContact O-N 2.97Å; Y336-Q338 VanDerWaalsContact C-N 3.3Å; Y336-Q338 PolarHBondContact O-N 2.8Å; Q338-L348 VanDerWaalsContact CA-O 3.24Å; Q338-L348 WeakPolarHBondContact CA-O 3.48Å; Q338-L348 HydrophobicContact CB-CB 4.45Å; Q338-L348 HydrophobicContact CG-CB 3.8Å; Q338-L348 WeakPolarHBondContact CG-O 3.41Å |
| 339 | H | 85.1 | Confident | 86.7 | Confident | 124 Ų | 124 | 47.1 Ų | 47.1 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -92.9 | -30 | -179.4 | -63.1 | 84.7 | 0 | 0 | 0 | 112.5 | N335 Y336 H337 | N335-H339 PolarHBondContact O-ND1 3.32Å; N335-H339 PolarHBondContact OD1-CE1 3.26Å; Y336-H339 PolarHBondContact O-N 3.13Å; Y336-H339 VanDerWaalsContact O-N 3.13Å; H337-H339 VanDerWaalsContact C-N 3.3Å |
| 340 | N | 85.1 | Confident | 86.6 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | trans | -132 | 128.2 | -171.6 | -55.7 | -79.1 | 0 | 0 | 0 | 112.1 | Y336 H337 | Y336-N340 HydrophobicContact CD1-CB 4.38Å; Y336-N340 HydrophobicContact CE1-CB 3.9Å; Y336-N340 HydrophobicContact CE2-CB 4.37Å; Y336-N340 PolarHBondContact O-N 2.75Å; Y336-N340 PolarHBondContact O-ND2 3.09Å; H337-N340 VanDerWaalsContact CA-O 3.27Å; H337-N340 WeakPolarHBondContact CA-O 3.45Å; H337-N340 PolarHBondContact ND1-O 3.12Å | ||
| 341 | A | 80 | Confident | 86.4 | Confident | 37 Ų | 37 | 55 Ų | 55 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | trans | -69.4 | -35.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G343 M344 R347 | A341-G343 PolarHBondContact O-N 3.11Å; A341-M344 VanDerWaalsContact O-CB 3.27Å; A341-M344 WeakPolarHBondContact O-CB 3.5Å; A341-M344 WeakPolarHBondContact O-CG 3.42Å; A341-M344 PolarHBondContact O-N 2.8Å; A341-R347 HydrophobicContact CB-CB 4.49Å | ||
| 342 | A | 81.6 | Confident | 86.1 | Confident | 34 Ų | 34 | 54 Ų | 54 | 28% | 0.281 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 39.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y336 | Y336-A342 HydrophobicContact CE1-CB 3.7Š|
| 343 | G | 75.8 | Confident | 85.3 | Confident | 79 Ų | 79 | 52.3 Ų | 52.3 | 81% | 0.814 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | -6.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A341 | A341-G343 PolarHBondContact O-N 3.11Š|
| 344 | M | 84.3 | Confident | 83.7 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -79.5 | 157.6 | 171.6 | -59 | 178.9 | 73.9 | 0 | 0 | 111.9 | V293 V295 Y309 L321 H337 A341 S346 L348 | V293-M344 HydrophobicContact CG1-CE 4.45Å; V295-M344 HydrophobicContact CG2-CE 3.77Å; Y309-M344 HydrophobicContact CD1-CE 4.46Å; Y309-M344 HydrophobicContact CD1-CG 4.47Å; Y309-M344 HydrophobicContact CD2-CE 3.47Å; Y309-M344 VanDerWaalsContact CD2-CE 3.47Å; Y309-M344 HydrophobicContact CE1-CB 4.35Å; Y309-M344 HydrophobicContact CE1-CG 4.14Å; Y309-M344 HydrophobicContact CE2-CE 3.56Å; Y309-M344 HydrophobicContact CG-CE 3.95Å; L321-M344 HydrophobicContact CD1-CE 4.17Å; L321-M344 HydrophobicContact CD1-SD 3.9Å; H337-M344 HydrophobicContact CB-SD 4.17Å; H337-M344 PolarHBondContact ND1-SD 3.2Å; H337-M344 VanDerWaalsContact ND1-SD 3.37Å; A341-M344 VanDerWaalsContact O-CB 3.27Å; A341-M344 WeakPolarHBondContact O-CB 3.5Å; A341-M344 WeakPolarHBondContact O-CG 3.42Å; A341-M344 PolarHBondContact O-N 2.8Å; M344-S346 PolarHBondContact O-N 3.2Å; M344-S346 VanDerWaalsContact O-N 3.16Å; M344-L348 HydrophobicContact CE-CD2 3.99Å |
| 345 | V | 84 | Confident | 82.1 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -58.3 | -26.7 | 177.9 | -65.2 | 0 | 0 | 0 | 0 | 114.3 | T297 R307 Y309 | T297-V345 HydrophobicContact CG2-CB 4.21Å; T297-V345 HydrophobicContact CG2-CG2 3.91Å; R307-V345 HydrophobicContact CB-CG1 4.49Å; R307-V345 HydrophobicContact CB-CG2 4.1Å; R307-V345 HydrophobicContact CG-CB 4.45Å; R307-V345 HydrophobicContact CG-CG1 3.76Å; R307-V345 HydrophobicContact CG-CG2 3.95Å; Y309-V345 VanDerWaalsContact OH-CG1 3.28Å; Y309-V345 WeakPolarHBondContact OH-CG1 3.4Å; Y309-V345 WeakPolarHBondContact OH-CG2 3.41Å; Y309-V345 PolarHBondContact OH-N 3.12Å |
| 346 | S | 86.4 | Confident | 80.2 | Confident | 14 Ų | 14 | 56 Ų | 56 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -159.5 | 155.8 | 175.9 | -166.5 | 0 | 0 | 0 | 0 | 108.4 | M344 | M344-S346 PolarHBondContact O-N 3.2Å; M344-S346 VanDerWaalsContact O-N 3.16Å |
| 347 | R | 89.1 | Confident | 78 | Confident | 132 Ų | 132 | 63.2 Ų | 63.2 | 50% | 0.498 | 34% | 0.342 | S | S | . | . | trans | -65.9 | 155.4 | 166.3 | 71.5 | -178.3 | -176.4 | -177.6 | -0.4 | 109.9 | A341 K349 | A341-R347 HydrophobicContact CB-CB 4.49Å; R347-K349 HydrophobicContact CG-CD 4.24Å; R347-K349 HydrophobicContact CG-CG 3.57Å; R347-K349 PolarHBondContact O-N 3.28Å; R347-K349 VanDerWaalsContact O-N 3.16Å | ||
| 348 | L | 90.2 | Very high | 75.7 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | trans | -76.7 | 99.6 | 177.7 | -53.6 | -178.9 | 0 | 0 | 0 | 109.3 | F280 V293 V295 I334 H337 Q338 M344 | F280-L348 HydrophobicContact CB-CD2 3.65Å; F280-L348 HydrophobicContact CD1-CB 3.56Å; F280-L348 HydrophobicContact CD1-CD2 4.31Å; F280-L348 HydrophobicContact CD1-CG 4.39Å; F280-L348 HydrophobicContact CD2-CB 4.19Å; F280-L348 HydrophobicContact CD2-CD1 3.91Å; F280-L348 HydrophobicContact CD2-CD2 4.04Å; F280-L348 HydrophobicContact CD2-CG 4.27Å; F280-L348 HydrophobicContact CE1-CB 3.71Å; F280-L348 HydrophobicContact CE2-CB 4.32Å; F280-L348 HydrophobicContact CE2-CD1 4.01Å; F280-L348 HydrophobicContact CG-CB 3.82Å; F280-L348 HydrophobicContact CG-CD1 4.31Å; F280-L348 HydrophobicContact CG-CD2 3.73Å; F280-L348 HydrophobicContact CG-CG 4.15Å; F280-L348 HydrophobicContact CZ-CB 4.1Å; F280-L348 HydrophobicContact CZ-CD1 4.47Å; V293-L348 HydrophobicContact CG1-CD1 4.41Å; V293-L348 HydrophobicContact CG1-CD2 4.08Å; V295-L348 HydrophobicContact CG1-CD2 4.39Å; V295-L348 HydrophobicContact CG2-CD2 3.48Å; V295-L348 VanDerWaalsContact CG2-CD2 3.48Å; I334-L348 HydrophobicContact CD1-CD1 3.92Å; I334-L348 HydrophobicContact CG2-CD1 4.2Å; H337-L348 HydrophobicContact CB-CD1 3.62Å; H337-L348 HydrophobicContact CB-CG 3.92Å; H337-L348 PolarHBondContact O-N 2.68Å; Q338-L348 VanDerWaalsContact CA-O 3.24Å; Q338-L348 WeakPolarHBondContact CA-O 3.48Å; Q338-L348 HydrophobicContact CB-CB 4.45Å; Q338-L348 HydrophobicContact CG-CB 3.8Å; Q338-L348 WeakPolarHBondContact CG-O 3.41Å; M344-L348 HydrophobicContact CE-CD2 3.99Å | ||
| 349 | K | 86.8 | Confident | 73.6 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 35% | 0.352 | 38% | 0.378 | S | S | . | . | trans | -97.6 | -45.3 | -171.4 | -62.8 | 178.6 | -163.3 | 167.3 | 0 | 113.2 | D277 G278 R347 | D277-K349 WeakPolarHBondContact O-CD 3.44Å; D277-K349 IonicContact OD2-NZ 3.8Å; D277-K349 PolarHBondContact OD2-NZ 2.9Å; G278-K349 PolarHBondContact O-N 3.28Å; R347-K349 HydrophobicContact CG-CD 4.24Å; R347-K349 HydrophobicContact CG-CG 3.57Å; R347-K349 PolarHBondContact O-N 3.28Å; R347-K349 VanDerWaalsContact O-N 3.16Å | ||
| 350 | Y | 85.4 | Confident | 72.1 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.5 | -170.3 | -56 | -79 | 0 | 0 | 0 | 110.3 | K276 D277 G278 G279 F280 V352 | K276-Y350 HydrophobicContact CB-CD2 3.83Å; K276-Y350 HydrophobicContact CB-CE2 4.44Å; K276-Y350 HydrophobicContact CB-CG 4.18Å; K276-Y350 HydrophobicContact CD-CD1 4.46Å; K276-Y350 HydrophobicContact CD-CG 4.17Å; D277-Y350 VanDerWaalsContact O-CD2 3.27Å; D277-Y350 WeakPolarHBondContact O-CD2 3.29Å; D277-Y350 VanDerWaalsContact O-CE2 3.29Å; D277-Y350 WeakPolarHBondContact O-CE2 3.46Å; G278-Y350 PolarHBondContact O-N 2.79Å; G278-Y350 VanDerWaalsContact O-N 3.13Å; G279-Y350 CarbonylContact C-O 3.54Å; G279-Y350 VanDerWaalsContact CA-O 3.25Å; G279-Y350 WeakPolarHBondContact CA-O 3Å; F280-Y350 WeakPolarHBondContact CD1-O 3.33Å; F280-Y350 PolarHBondContact N-O 3.15Å; Y350-V352 PolarHBondContact O-N 3.28Å |
| 351 | I | 85.1 | Confident | 70.6 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 41% | 0.405 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 130.3 | 174.1 | -61.7 | 171.9 | 0 | 0 | 0 | 108.5 | D256 W257 F280 | D256-I351 HydrophobicContact CB-CG2 4.21Å; W257-I351 HydrophobicContact CB-CG1 4.24Å; W257-I351 HydrophobicContact CB-CG2 3.81Å; F280-I351 HydrophobicContact CE1-CG1 3.83Å; F280-I351 HydrophobicContact CZ-CG1 3.86Å |
| 352 | V | 81.8 | Confident | 69.5 | Low | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.024 | 35% | 0.354 | C | S | . | . | trans | -117.5 | 130.7 | 171.1 | 175.2 | 0 | 0 | 0 | 0 | 106.9 | L270 L271 E274 F280 L281 Y350 | L270-V352 HydrophobicContact CB-CG1 4.47Å; L270-V352 HydrophobicContact CD2-CG1 3.67Å; L270-V352 HydrophobicContact CG-CG1 3.55Å; L271-V352 HydrophobicContact CD2-CB 3.8Å; L271-V352 HydrophobicContact CD2-CG1 4Å; L271-V352 HydrophobicContact CD2-CG2 3.82Å; L271-V352 HydrophobicContact CG-CG1 4.47Å; E274-V352 HydrophobicContact CB-CG2 4.12Å; E274-V352 HydrophobicContact CG-CG1 3.97Å; E274-V352 HydrophobicContact CG-CG2 4.08Å; F280-V352 PolarHBondContact O-N 2.98Å; L281-V352 WeakPolarHBondContact CB-O 3.14Å; L281-V352 HydrophobicContact CD2-CG1 4.25Å; Y350-V352 PolarHBondContact O-N 3.28Å | ||
| 353 | S | 71.7 | Confident | 67.9 | Low | 36 Ų | 36 | 61.6 Ų | 61.6 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | trans | -136.2 | 139.8 | -172.9 | -166.3 | 0 | 0 | 0 | 0 | 110.8 | D256 R355 | D256-S353 WeakPolarHBondContact O-CB 3.48Å; D256-S353 PolarHBondContact O-OG 3.33Å; S353-R355 WeakPolarHBondContact OG-CB 3.44Å; S353-R355 VanDerWaalsContact OG-CG 3.32Å; S353-R355 WeakPolarHBondContact OG-CG 3.4Å; S353-R355 PolarHBondContact OG-N 3.45Å | ||
| 354 | S | 59.2 | Low | 66.8 | Low | 61 Ų | 61 | 58 Ų | 58 | 43% | 0.427 | 31% | 0.306 | S | S | . | . | trans | -80.3 | -6.9 | 166.2 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | M262 A356 | M262-S354 WeakPolarHBondContact CE-OG 3.33Å; S354-A356 PolarHBondContact O-N 3.32Å | ||
| 355 | R | 57.6 | Low | 65.5 | Low | 49 Ų | 49 | 58 Ų | 58 | 19% | 0.185 | 31% | 0.306 | C | S | . | . | trans | -52.7 | 111.9 | 175.6 | -71.8 | 177.2 | -170.8 | -158.4 | -15.9 | 107.3 | E253 F255 D256 S353 K357 | E253-R355 PolarHBondContact O-NH2 2.74Å; F255-R355 PolarHBondContact O-NH2 3.1Å; F255-R355 VanDerWaalsContact O-NH2 3.12Å; D256-R355 IonicContact OD1-CZ 2.7Å; D256-R355 IonicContact OD1-NH1 3.27Å; D256-R355 PolarHBondContact OD1-NH1 3.46Å; S353-R355 WeakPolarHBondContact OG-CB 3.44Å; S353-R355 VanDerWaalsContact OG-CG 3.32Å; S353-R355 WeakPolarHBondContact OG-CG 3.4Å; S353-R355 PolarHBondContact OG-N 3.45Å; R355-K357 PolarHBondContact O-N 2.92Å | ||
| 356 | A | 47.8 | Very low | 64.1 | Low | 52 Ų | 52 | 55.1 Ų | 55.1 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | trans | -58.7 | 129.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | S354 N358 | S354-A356 PolarHBondContact O-N 3.32Å; A356-N358 WeakPolarHBondContact CB-O 3.46Å; A356-N358 PolarHBondContact O-N 3.39Å | ||
| 357 | K | 45.2 | Very low | 62.4 | Low | 214 Ų | 214 | 58.2 Ų | 58.2 | 93% | 0.93 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -59.3 | -10.8 | 168.7 | -71.4 | -176.5 | 179.1 | 178.2 | 0 | 111.8 | R355 | R355-K357 PolarHBondContact O-N 2.92Š|
| 358 | N | 39.9 | Very low | 60.8 | Low | 127 Ų | 127 | 55 Ų | 55 | 68% | 0.679 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -117.7 | 139.3 | 179.9 | -55.9 | -17.4 | 0 | 0 | 0 | 108.6 | A356 | A356-N358 WeakPolarHBondContact CB-O 3.46Å; A356-N358 PolarHBondContact O-N 3.39Å |
| 359 | A | 44.2 | Very low | 59.6 | Low | 42 Ų | 42 | 57.3 Ų | 57.3 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 140.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y199 Y244 | Y199-A359 HydrophobicContact CD1-CB 4.1Å; Y199-A359 HydrophobicContact CG-CB 4.05Å; Y244-A359 HydrophobicContact CD1-CB 4.43Å; Y244-A359 HydrophobicContact CE1-CB 3.48Å; Y244-A359 VanDerWaalsContact CE1-CB 3.48Å; Y244-A359 HydrophobicContact CE2-CB 4.42Å; Y244-A359 VanDerWaalsContact CZ-CB 3.48Å; Y244-A359 VanDerWaalsContact OH-CB 3.25Å; Y244-A359 WeakPolarHBondContact OH-CB 3.32Å |
| 360 | P | 52.1 | Low | 59 | Low | 44 Ų | 44 | 56.5 Ų | 56.5 | 29% | 0.286 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 149.5 | 172.3 | 25.1 | -31.9 | 0 | 0 | 0 | 109 | Y199 Y244 T362 | Y199-P360 HydrophobicContact CD2-CG 3.87Å; Y199-P360 HydrophobicContact CE2-CG 3.63Å; Y199-P360 VanDerWaalsContact CZ-CD 3.45Å; Y244-P360 HydrophobicContact CD2-CG 4.37Å; Y244-P360 HydrophobicContact CE2-CG 4.21Å; Y244-P360 WeakPolarHBondContact CE2-O 2.91Å; Y244-P360 PolarHBondContact OH-O 3.28Å; P360-T362 PolarHBondContact O-N 3.14Å |
| 361 | S | 54.1 | Low | 58.7 | Low | 48 Ų | 48 | 53.1 Ų | 53.1 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 133 | -176.1 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | N243 H400 Y436 | N243-S361 PolarHBondContact ND2-O 3.38Å; S361-H400 PolarHBondContact OG-CE1 2.98Å; S361-Y436 WeakPolarHBondContact CB-OH 3.39Å; S361-Y436 PolarHBondContact OG-OH 2.86Å |
| 362 | T | 56.4 | Low | 58.6 | Low | 22 Ų | 22 | 49.6 Ų | 49.6 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -62 | 154 | 175.9 | 51 | 0 | 0 | 0 | 0 | 110.4 | Y201 P241 Y244 P360 G364 | Y201-T362 HydrophobicContact CD2-CG2 4.03Å; Y201-T362 HydrophobicContact CE2-CG2 3.87Å; P241-T362 HydrophobicContact CB-CG2 4.13Å; P241-T362 HydrophobicContact CG-CG2 3.73Å; Y244-T362 HydrophobicContact CD2-CG2 4.49Å; Y244-T362 HydrophobicContact CE2-CG2 3.6Å; Y244-T362 WeakPolarHBondContact OH-CG2 3.42Å; P360-T362 PolarHBondContact O-N 3.14Å; T362-G364 PolarHBondContact O-N 3.27Å; T362-G364 PolarHBondContact OG1-O 3.22Å |
| 363 | A | 48.6 | Very low | 58.7 | Low | 7 Ų | 7 | 51.7 Ų | 51.7 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -48.4 | 52.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | N226 W227 R428 | N226-A363 HydrophobicContact CB-CB 3.63Å; W227-A363 PolarHBondContact NE1-O 3.13Å; W227-A363 VanDerWaalsContact NE1-O 3.16Å; A363-R428 VanDerWaalsContact C-NH2 3.31Å; A363-R428 VanDerWaalsContact CA-NH2 3.3Å; A363-R428 PolarHBondContact O-NH2 3.4Å; A363-R428 VanDerWaalsContact O-NH2 3.13Å |
| 364 | G | 53.6 | Low | 59.3 | Low | 3 Ų | 3 | 50.8 Ų | 50.8 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 83.9 | -166.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | T362 G366 | T362-G364 PolarHBondContact O-N 3.27Å; T362-G364 PolarHBondContact OG1-O 3.22Å; G364-G366 VanDerWaalsContact C-N 3.3Å; G364-G366 PolarHBondContact O-N 3.44Å |
| 365 | L | 57 | Low | 60.6 | Low | 18 Ų | 18 | 57.4 Ų | 57.4 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -84.3 | 9 | -168.5 | -60.3 | 93.5 | 0 | 0 | 0 | 115.2 | V369 I372 W396 Y436 | L365-V369 HydrophobicContact CB-CB 4.01Å; L365-V369 HydrophobicContact CB-CG1 3.76Å; L365-V369 HydrophobicContact CD1-CG1 4.4Å; L365-V369 HydrophobicContact CG-CG1 4.46Å; L365-I372 HydrophobicContact CD1-CD1 3.98Å; L365-I372 HydrophobicContact CD1-CG1 3.57Å; L365-I372 HydrophobicContact CD2-CD1 4.47Å; L365-I372 HydrophobicContact CD2-CG1 3.76Å; L365-I372 HydrophobicContact CG-CG1 4.34Å; L365-W396 HydrophobicContact CB-CH2 3.81Å; L365-W396 HydrophobicContact CB-CZ2 3.98Å; L365-W396 HydrophobicContact CD2-CD2 4.33Å; L365-W396 HydrophobicContact CD2-CH2 3.55Å; L365-W396 HydrophobicContact CD2-CZ2 2.94Å; L365-W396 HydrophobicContact CD2-CZ3 4.39Å; L365-W396 HydrophobicContact CG-CH2 3.33Å; L365-W396 HydrophobicContact CG-CZ2 3.35Å; L365-W396 HydrophobicContact CG-CZ3 4.02Å; L365-Y436 WeakPolarHBondContact CD1-O 3.41Å |
| 366 | G | 54.3 | Low | 61.9 | Low | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 129 | 159.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W227 G364 G368 V369 | W227-G366 VanDerWaalsContact CZ2-CA 3.4Å; G364-G366 VanDerWaalsContact C-N 3.3Å; G364-G366 PolarHBondContact O-N 3.44Å; G366-G368 PolarHBondContact O-N 2.91Å; G366-V369 PolarHBondContact O-N 3.33Å |
| 367 | Y | 51.2 | Low | 63.8 | Low | 78 Ų | 78 | 57.1 Ų | 57.1 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 125 | 179.7 | -179.1 | -112.8 | 0 | 0 | 0 | 111.3 | D224 W227 Y239 V369 | D224-Y367 HydrophobicContact CB-CD2 4.47Å; D224-Y367 HydrophobicContact CB-CE2 3.79Å; W227-Y367 HydrophobicContact CB-CD2 3.7Å; W227-Y367 HydrophobicContact CB-CG 4.29Å; W227-Y367 HydrophobicContact CG-CD2 4.04Å; W227-Y367 HydrophobicContact CG-CG 4.48Å; Y239-Y367 HydrophobicContact CD1-CG 4.38Å; Y239-Y367 HydrophobicContact CE1-CD1 4.32Å; Y239-Y367 HydrophobicContact CE1-CE1 4.36Å; Y239-Y367 HydrophobicContact CE1-CG 4.49Å; Y239-Y367 HydrophobicContact CE2-CD1 4.25Å; Y239-Y367 HydrophobicContact CG-CG 4.49Å; Y367-V369 VanDerWaalsContact C-N 3.3Å; Y367-V369 PolarHBondContact O-N 3.23Å |
| 368 | G | 55.7 | Low | 66.1 | Low | 64 Ų | 64 | 50.4 Ų | 50.4 | 66% | 0.66 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 1.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | G366 | G366-G368 PolarHBondContact O-N 2.91Š|
| 369 | V | 64 | Low | 68.6 | Low | 52 Ų | 52 | 48 Ų | 48 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | trans | -94.5 | 105.3 | -179.1 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | T205 L365 G366 Y367 | T205-V369 HydrophobicContact CG2-CG2 4.47Å; L365-V369 HydrophobicContact CB-CB 4.01Å; L365-V369 HydrophobicContact CB-CG1 3.76Å; L365-V369 HydrophobicContact CD1-CG1 4.4Å; L365-V369 HydrophobicContact CG-CG1 4.46Å; G366-V369 PolarHBondContact O-N 3.33Å; Y367-V369 VanDerWaalsContact C-N 3.3Å; Y367-V369 PolarHBondContact O-N 3.23Å | ||
| 370 | W | 74.1 | Confident | 70.9 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | trans | -111 | -21.8 | 179.3 | 61.6 | -86.1 | 0 | 0 | 0 | 114.2 | I418 M425 G437 V438 | W370-I418 HydrophobicContact CH2-CG1 4.41Å; W370-I418 HydrophobicContact CH2-CG2 3.72Å; W370-I418 HydrophobicContact CZ2-CG2 4.42Å; W370-I418 HydrophobicContact CZ3-CG1 4.39Å; W370-I418 HydrophobicContact CZ3-CG2 3.97Å; W370-M425 HydrophobicContact CB-CE 3.77Å; W370-M425 HydrophobicContact CB-SD 3.27Å; W370-M425 WeakPolarHBondContact CB-SD 3.34Å; W370-G437 VanDerWaalsContact O-CA 3.29Å; W370-G437 WeakPolarHBondContact O-CA 3.49Å; W370-V438 HydrophobicContact CE3-CG2 3.57Å; W370-V438 HydrophobicContact CZ3-CG2 3.67Å; W370-V438 PolarHBondContact O-N 3.5Å | ||
| 371 | E | 80.4 | Confident | 72.9 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 23% | 0.229 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 120.7 | -176.3 | -165.9 | 172.3 | -139.1 | 0 | 0 | 110.4 | V438 T440 K441 | E371-V438 CarbonylContact C-O 3.48Å; E371-V438 WeakPolarHBondContact CA-O 3.18Å; E371-T440 PolarHBondContact OE1-OG1 3.22Å; E371-K441 HydrophobicContact CG-CG 4.43Å; E371-K441 WeakPolarHBondContact OE1-CG 3.18Å; E371-K441 WeakPolarHBondContact OE2-CE 3.07Å; E371-K441 IonicContact OE2-NZ 3.25Å; E371-K441 PolarHBondContact OE2-NZ 2.77Å |
| 372 | I | 82.8 | Confident | 74.8 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -95.6 | 129.2 | 179.8 | -61.1 | 172.4 | 0 | 0 | 0 | 108.5 | L365 P374 L377 V438 C439 V448 | L365-I372 HydrophobicContact CD1-CD1 3.98Å; L365-I372 HydrophobicContact CD1-CG1 3.57Å; L365-I372 HydrophobicContact CD2-CD1 4.47Å; L365-I372 HydrophobicContact CD2-CG1 3.76Å; L365-I372 HydrophobicContact CG-CG1 4.34Å; I372-P374 WeakPolarHBondContact O-CD 3.5Å; I372-L377 HydrophobicContact CG2-CD1 4.22Å; I372-L377 HydrophobicContact CG2-CD2 4.16Å; I372-L377 HydrophobicContact CG2-CG 4.02Å; I372-V438 PolarHBondContact N-O 3.11Å; I372-C439 PolarHBondContact O-SG 3.15Å; I372-V448 HydrophobicContact CD1-CB 3.56Å; I372-V448 HydrophobicContact CD1-CG1 3.99Å; I372-V448 HydrophobicContact CD1-CG2 3.6Å |
| 373 | D | 82.7 | Confident | 76.3 | Confident | 48 Ų | 48 | 60 Ų | 60 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 121.1 | 168.9 | -168.1 | -41.2 | 0 | 0 | 0 | 109.5 | R375 H376 | D373-R375 PolarHBondContact O-N 3.14Å; D373-R375 VanDerWaalsContact OD1-CB 3.28Å; D373-R375 WeakPolarHBondContact OD1-CB 3.48Å; D373-R375 VanDerWaalsContact OD1-CG 3.29Å; D373-R375 WeakPolarHBondContact OD1-CG 3.48Å; D373-R375 PolarHBondContact OD1-N 3.47Å; D373-R375 IonicContact OD1-NE 2.67Å; D373-R375 PolarHBondContact OD1-NE 2.83Å; D373-R375 VanDerWaalsContact OD1-NE 3.1Å; D373-R375 IonicContact OD2-CZ 2.99Å; D373-R375 VanDerWaalsContact OD2-CZ 3.27Å; D373-R375 IonicContact OD2-NE 3.06Å; D373-R375 PolarHBondContact OD2-NE 3.08Å; D373-R375 IonicContact OD2-NH2 3.44Å; D373-R375 PolarHBondContact OD2-NH2 3.39Å; D373-H376 WeakPolarHBondContact O-CB 3.26Å; D373-H376 PolarHBondContact O-N 3.46Å |
| 374 | P | 85.7 | Confident | 78 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -54.4 | -26.3 | 178.8 | -25.1 | 32.7 | 0 | 0 | 0 | 114 | I372 H376 L377 C439 Q442 Y446 | I372-P374 WeakPolarHBondContact O-CD 3.5Å; P374-H376 PolarHBondContact O-N 2.89Å; P374-L377 WeakPolarHBondContact O-CB 3.35Å; P374-L377 PolarHBondContact O-N 3.25Å; P374-C439 HydrophobicContact CG-CB 4.1Å; P374-Q442 HydrophobicContact CG-CB 4.02Å; P374-Y446 HydrophobicContact CB-CE2 4.43Å |
| 375 | R | 85.3 | Confident | 79.3 | Confident | 200 Ų | 200 | 66.1 Ų | 66.1 | 76% | 0.755 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.7 | 177.4 | -62.5 | 177.8 | -67.1 | 168.5 | 1.1 | 112.9 | D373 L377 | D373-R375 PolarHBondContact O-N 3.14Å; D373-R375 VanDerWaalsContact OD1-CB 3.28Å; D373-R375 WeakPolarHBondContact OD1-CB 3.48Å; D373-R375 VanDerWaalsContact OD1-CG 3.29Å; D373-R375 WeakPolarHBondContact OD1-CG 3.48Å; D373-R375 PolarHBondContact OD1-N 3.47Å; D373-R375 IonicContact OD1-NE 2.67Å; D373-R375 PolarHBondContact OD1-NE 2.83Å; D373-R375 VanDerWaalsContact OD1-NE 3.1Å; D373-R375 IonicContact OD2-CZ 2.99Å; D373-R375 VanDerWaalsContact OD2-CZ 3.27Å; D373-R375 IonicContact OD2-NE 3.06Å; D373-R375 PolarHBondContact OD2-NE 3.08Å; D373-R375 IonicContact OD2-NH2 3.44Å; D373-R375 PolarHBondContact OD2-NH2 3.39Å; R375-L377 VanDerWaalsContact C-N 3.29Å |
| 376 | H | 84.1 | Confident | 79.7 | Confident | 83 Ų | 83 | 67 Ų | 67 | 38% | 0.384 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -84.7 | -4.2 | 174.5 | -59.4 | 161.1 | 0 | 0 | 0 | 112.6 | D373 P374 W396 Q397 | D373-H376 WeakPolarHBondContact O-CB 3.26Å; D373-H376 PolarHBondContact O-N 3.46Å; P374-H376 PolarHBondContact O-N 2.89Å; H376-W396 CarbonylContact O-C 3.44Å; H376-W396 WeakPolarHBondContact O-CA 3.27Å; H376-Q397 HydrophobicContact CB-CG 4.19Å; H376-Q397 PolarHBondContact O-N 2.85Å |
| 377 | L | 89.3 | Confident | 80.2 | Confident | 12 Ų | 12 | 72.4 Ų | 72.4 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.5 | 177.8 | -63.7 | 177.2 | 0 | 0 | 0 | 110.6 | I372 P374 R375 F379 W396 V402 I404 C439 V448 | I372-L377 HydrophobicContact CG2-CD1 4.22Å; I372-L377 HydrophobicContact CG2-CD2 4.16Å; I372-L377 HydrophobicContact CG2-CG 4.02Å; P374-L377 WeakPolarHBondContact O-CB 3.35Å; P374-L377 PolarHBondContact O-N 3.25Å; R375-L377 VanDerWaalsContact C-N 3.29Å; L377-F379 HydrophobicContact CB-CE2 4.4Å; L377-W396 HydrophobicContact CD2-CB 3.92Å; L377-W396 HydrophobicContact CD2-CG 4.18Å; L377-V402 HydrophobicContact CD2-CG2 4.33Å; L377-I404 HydrophobicContact CB-CD1 4.16Å; L377-I404 HydrophobicContact CD1-CD1 4.36Å; L377-I404 HydrophobicContact CD1-CG2 4.37Å; L377-I404 HydrophobicContact CD2-CD1 4.19Å; L377-I404 HydrophobicContact CG-CD1 4.48Å; L377-C439 VanDerWaalsContact CD1-SG 3.54Å; L377-V448 HydrophobicContact CD1-CG2 3.78Å; L377-V448 HydrophobicContact CD2-CG1 4.3Å; L377-V448 HydrophobicContact CD2-CG2 4.21Å |
| 378 | T | 92.2 | Very high | 80.8 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.3 | 170.5 | -55.9 | 0 | 0 | 0 | 0 | 108.9 | I380 G394 K395 | T378-I380 HydrophobicContact CG2-CG1 4.29Å; T378-G394 CarbonylContact O-C 3.52Å; T378-G394 WeakPolarHBondContact O-CA 3.36Å; T378-K395 PolarHBondContact N-O 2.66Å; T378-K395 PolarHBondContact O-N 3.11Å |
| 379 | F | 93.3 | Very high | 81.7 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.8 | 177.5 | -60.3 | -94.3 | 0 | 0 | 0 | 109.9 | L377 K392 I404 Y446 | L377-F379 HydrophobicContact CB-CE2 4.4Å; F379-K392 HydrophobicContact CB-CD 4.4Å; F379-K392 HydrophobicContact CD1-CB 4.26Å; F379-K392 HydrophobicContact CD1-CD 3.79Å; F379-I404 HydrophobicContact CD1-CD1 3.97Å; F379-I404 HydrophobicContact CD1-CG2 4.47Å; F379-I404 HydrophobicContact CE1-CB 4.23Å; F379-I404 HydrophobicContact CE1-CD1 3.97Å; F379-I404 HydrophobicContact CE1-CG2 3.64Å; F379-I404 HydrophobicContact CZ-CG2 4.27Å; F379-Y446 HydrophobicContact CE1-CE1 4.38Å; F379-Y446 HydrophobicContact CZ-CD2 4.43Å; F379-Y446 HydrophobicContact CZ-CE1 4.19Å; F379-Y446 HydrophobicContact CZ-CE2 4.04Å; F379-Y446 AromaticContact CZ-CZ 3.92Å |
| 380 | I | 93.1 | Very high | 82.8 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -55.9 | -172.3 | -61.9 | 172.7 | 0 | 0 | 0 | 111.3 | T378 Y393 K395 | T378-I380 HydrophobicContact CG2-CG1 4.29Å; I380-Y393 HydrophobicContact CB-CD1 3.73Å; I380-Y393 HydrophobicContact CB-CE1 3.89Å; I380-Y393 HydrophobicContact CD1-CD1 4.33Å; I380-Y393 HydrophobicContact CD1-CE1 3.71Å; I380-Y393 HydrophobicContact CG1-CE1 4.4Å; I380-Y393 HydrophobicContact CG2-CD1 3.81Å; I380-Y393 HydrophobicContact CG2-CE1 3.75Å; I380-Y393 PolarHBondContact N-O 2.74Å; I380-K395 HydrophobicContact CD1-CB 4.28Å; I380-K395 HydrophobicContact CD1-CD 4.13Å; I380-K395 HydrophobicContact CD1-CG 3.69Å |
| 381 | K | 93.7 | Very high | 83.6 | Confident | 140 Ų | 140 | 66.5 Ų | 66.5 | 61% | 0.609 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.9 | -172.2 | -177.2 | -176.5 | 172.9 | -174.2 | 0 | 111.1 | K392 Y393 | K381-K392 CarbonylContact O-C 3.48Å; K381-K392 VanDerWaalsContact O-CA 3.24Å; K381-K392 WeakPolarHBondContact O-CA 3.46Å; K381-Y393 HydrophobicContact CB-CD1 4.17Å; K381-Y393 PolarHBondContact N-O 3.44Å; K381-Y393 VanDerWaalsContact N-O 3.07Å; K381-Y393 PolarHBondContact O-N 2.84Å |
| 382 | E | 93.9 | Very high | 84.2 | Confident | 102 Ų | 102 | 66.9 Ų | 66.9 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.7 | 168.9 | -170.8 | 168.2 | 142.8 | 0 | 0 | 110.8 | V390 | E382-V390 HydrophobicContact CG-CG1 3.67Å |
| 383 | L | 88.2 | Confident | 84.7 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 42% | 0.419 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -34.7 | 178.2 | -65.1 | 176.2 | 0 | 0 | 0 | 111.7 | V391 F451 | L383-V391 HydrophobicContact CB-CG1 4.37Å; L383-V391 HydrophobicContact CD1-CG1 4.27Å; L383-V391 PolarHBondContact N-O 3.33Å; L383-F451 HydrophobicContact CD1-CD2 3.98Å; L383-F451 HydrophobicContact CD1-CE2 3.73Å; L383-F451 HydrophobicContact CD2-CE2 4.04Å |
| 384 | G | 83.5 | Confident | 85.2 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | 165.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V391 | G384-V391 PolarHBondContact N-O 3.12Å; G384-V391 PolarHBondContact O-N 3.26Å |
| 385 | N | 80.1 | Confident | 85.2 | Confident | 108 Ų | 108 | 68.6 Ų | 68.6 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 105.2 | 178.1 | -173.5 | -6 | 0 | 0 | 0 | 109.3 | V390 | N385-V390 HydrophobicContact CB-CG2 4.48Å |
| 386 | G | 67.3 | Low | 85 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -179.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F388 G389 K408 | G386-F388 PolarHBondContact O-N 3.15Å; G386-G389 PolarHBondContact N-O 3.23Å; G386-G389 PolarHBondContact O-N 3.07Å; G386-K408 PolarHBondContact O-NZ 2.87Å |
| 387 | Q | 63.1 | Low | 84.7 | Confident | 115 Ų | 115 | 62.3 Ų | 62.3 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -42.3 | 174.7 | 178.9 | 170.9 | -41.3 | 0 | 0 | 111.5 | K408 | Q387-K408 PolarHBondContact O-NZ 2.91Å; Q387-K408 VanDerWaalsContact O-NZ 3.11Å |
| 388 | F | 64.3 | Low | 83.9 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -10.8 | -172.5 | -53.9 | -72 | 0 | 0 | 0 | 114.4 | G386 K408 L518 | G386-F388 PolarHBondContact O-N 3.15Å; F388-K408 PolarHBondContact O-N 3.04Å; F388-L518 HydrophobicContact CB-CD1 4.22Å; F388-L518 HydrophobicContact CD1-CD1 3.5Å; F388-L518 VanDerWaalsContact CD1-CD1 3.5Å; F388-L518 HydrophobicContact CD2-CD1 3.54Å; F388-L518 HydrophobicContact CE1-CD1 3.63Å; F388-L518 HydrophobicContact CE2-CD1 3.67Å; F388-L518 HydrophobicContact CG-CD1 3.45Å; F388-L518 VanDerWaalsContact CG-CD1 3.45Å; F388-L518 HydrophobicContact CZ-CD1 3.71Å |
| 389 | G | 74.9 | Confident | 83 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.4 | -167.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G386 M406 | G386-G389 PolarHBondContact N-O 3.23Å; G386-G389 PolarHBondContact O-N 3.07Å; G389-M406 VanDerWaalsContact CA-O 3.29Å; G389-M406 WeakPolarHBondContact CA-O 3.48Å |
| 390 | V | 86.3 | Confident | 82 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 133.6 | -174.8 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | E382 N385 K392 M406 | E382-V390 HydrophobicContact CG-CG1 3.67Å; N385-V390 HydrophobicContact CB-CG2 4.48Å; V390-K392 HydrophobicContact CG1-CG 4.04Å; V390-M406 HydrophobicContact CB-SD 4.29Å; V390-M406 PolarHBondContact N-O 3.4Å; V390-M406 PolarHBondContact O-N 2.84Å |
| 391 | V | 90.6 | Very high | 81.6 | Confident | 39 Ų | 39 | 66.9 Ų | 66.9 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.8 | 173 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | L383 G384 K405 | L383-V391 HydrophobicContact CB-CG1 4.37Å; L383-V391 HydrophobicContact CD1-CG1 4.27Å; L383-V391 PolarHBondContact N-O 3.33Å; G384-V391 PolarHBondContact N-O 3.12Å; G384-V391 PolarHBondContact O-N 3.26Å; V391-K405 HydrophobicContact CG2-CB 4.29Å; V391-K405 HydrophobicContact CG2-CD 4.41Å; V391-K405 HydrophobicContact CG2-CG 4.03Å |
| 392 | K | 93.3 | Very high | 81.4 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.1 | 178.9 | -63.6 | -171.4 | 172.3 | -178 | 0 | 110.7 | F379 K381 V390 I404 M406 | F379-K392 HydrophobicContact CB-CD 4.4Å; F379-K392 HydrophobicContact CD1-CB 4.26Å; F379-K392 HydrophobicContact CD1-CD 3.79Å; K381-K392 CarbonylContact O-C 3.48Å; K381-K392 VanDerWaalsContact O-CA 3.24Å; K381-K392 WeakPolarHBondContact O-CA 3.46Å; V390-K392 HydrophobicContact CG1-CG 4.04Å; K392-I404 PolarHBondContact N-O 2.78Å; K392-I404 PolarHBondContact O-N 3.46Å; K392-M406 HydrophobicContact CD-SD 4.18Å |
| 393 | Y | 94.4 | Very high | 81.3 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 137.3 | 160.5 | 166.1 | -113.5 | 0 | 0 | 0 | 108.8 | I380 K381 D401 F451 | I380-Y393 HydrophobicContact CB-CD1 3.73Å; I380-Y393 HydrophobicContact CB-CE1 3.89Å; I380-Y393 HydrophobicContact CD1-CD1 4.33Å; I380-Y393 HydrophobicContact CD1-CE1 3.71Å; I380-Y393 HydrophobicContact CG1-CE1 4.4Å; I380-Y393 HydrophobicContact CG2-CD1 3.81Å; I380-Y393 HydrophobicContact CG2-CE1 3.75Å; I380-Y393 PolarHBondContact N-O 2.74Å; K381-Y393 HydrophobicContact CB-CD1 4.17Å; K381-Y393 PolarHBondContact N-O 3.44Å; K381-Y393 VanDerWaalsContact N-O 3.07Å; K381-Y393 PolarHBondContact O-N 2.84Å; Y393-D401 HydrophobicContact CE2-CB 3.95Å; Y393-D401 WeakPolarHBondContact CE2-OD1 3.37Å; Y393-D401 PolarHBondContact OH-OD1 3.31Å; Y393-F451 AromaticContact CD2-CD1 3.89Å; Y393-F451 HydrophobicContact CD2-CD1 3.89Å; Y393-F451 AromaticContact CD2-CD2 3.82Å; Y393-F451 HydrophobicContact CD2-CD2 3.82Å; Y393-F451 AromaticContact CD2-CE1 3.96Å; Y393-F451 HydrophobicContact CD2-CE1 3.96Å; Y393-F451 AromaticContact CD2-CE2 3.91Å; Y393-F451 HydrophobicContact CD2-CE2 3.91Å; Y393-F451 AromaticContact CD2-CG 3.81Å; Y393-F451 HydrophobicContact CD2-CG 3.81Å; Y393-F451 AromaticContact CD2-CZ 3.98Å; Y393-F451 HydrophobicContact CD2-CZ 3.98Å; Y393-F451 AromaticContact CE2-CD1 3.88Å; Y393-F451 HydrophobicContact CE2-CD1 3.88Å; Y393-F451 HydrophobicContact CE2-CE1 4.02Å; Y393-F451 HydrophobicContact CE2-CG 4.19Å; Y393-F451 HydrophobicContact CE2-CZ 4.45Å; Y393-F451 HydrophobicContact CG-CE2 4.38Å; Y393-F451 HydrophobicContact CG-CZ 4.47Å |
| 394 | G | 92.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | -176.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T378 V402 | T378-G394 CarbonylContact O-C 3.52Å; T378-G394 WeakPolarHBondContact O-CA 3.36Å; G394-V402 PolarHBondContact N-O 2.86Å; G394-V402 WeakPolarHBondContact O-CG2 3.17Å; G394-V402 PolarHBondContact O-N 3.25Å |
| 395 | K | 85.5 | Confident | 81.7 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136 | 172 | -74.7 | -172.2 | 178.4 | -145 | 0 | 111.1 | T378 I380 G398 H400 D401 | T378-K395 PolarHBondContact N-O 2.66Å; T378-K395 PolarHBondContact O-N 3.11Å; I380-K395 HydrophobicContact CD1-CB 4.28Å; I380-K395 HydrophobicContact CD1-CD 4.13Å; I380-K395 HydrophobicContact CD1-CG 3.69Å; K395-G398 WeakPolarHBondContact CD-O 3.43Å; K395-H400 CarbonylContact C-O 3.54Å; K395-H400 VanDerWaalsContact CA-O 3.23Å; K395-H400 WeakPolarHBondContact CA-O 3.19Å; K395-D401 WeakPolarHBondContact CE-OD1 2.87Å |
| 396 | W | 81.6 | Confident | 82.1 | Confident | 27 Ų | 27 | 48 Ų | 48 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129 | 169.3 | 176.3 | 44.4 | 0 | 0 | 0 | 109.5 | L365 H376 L377 G398 Q399 H400 V402 | L365-W396 HydrophobicContact CB-CH2 3.81Å; L365-W396 HydrophobicContact CB-CZ2 3.98Å; L365-W396 HydrophobicContact CD2-CD2 4.33Å; L365-W396 HydrophobicContact CD2-CH2 3.55Å; L365-W396 HydrophobicContact CD2-CZ2 2.94Å; L365-W396 HydrophobicContact CD2-CZ3 4.39Å; L365-W396 HydrophobicContact CG-CH2 3.33Å; L365-W396 HydrophobicContact CG-CZ2 3.35Å; L365-W396 HydrophobicContact CG-CZ3 4.02Å; H376-W396 CarbonylContact O-C 3.44Å; H376-W396 WeakPolarHBondContact O-CA 3.27Å; L377-W396 HydrophobicContact CD2-CB 3.92Å; L377-W396 HydrophobicContact CD2-CG 4.18Å; W396-G398 PolarHBondContact O-N 3.34Å; W396-G398 VanDerWaalsContact O-N 3.08Å; W396-Q399 PolarHBondContact O-N 3.44Å; W396-Q399 VanDerWaalsContact O-N 3.16Å; W396-H400 HydrophobicContact CB-CB 4.47Å; W396-H400 HydrophobicContact CE3-CB 4.33Å; W396-H400 PolarHBondContact N-O 2.96Å; W396-H400 PolarHBondContact O-N 2.97Å; W396-V402 HydrophobicContact CB-CG1 3.76Å; W396-V402 HydrophobicContact CB-CG2 4.12Å |
| 397 | Q | 77.9 | Confident | 82.6 | Confident | 124 Ų | 124 | 47 Ų | 47 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 26.2 | -170.5 | -60.9 | -178.1 | 2.5 | 0 | 0 | 114.2 | H376 Q399 | H376-Q397 HydrophobicContact CB-CG 4.19Å; H376-Q397 PolarHBondContact O-N 2.85Å; Q397-Q399 PolarHBondContact O-N 3.43Å; Q397-Q399 VanDerWaalsContact O-N 3.13Å |
| 398 | G | 71.6 | Confident | 83 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | -0.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K395 W396 | K395-G398 WeakPolarHBondContact CD-O 3.43Å; W396-G398 PolarHBondContact O-N 3.34Å; W396-G398 VanDerWaalsContact O-N 3.08Å |
| 399 | Q | 74.4 | Confident | 83.3 | Confident | 170 Ų | 170 | 49.7 Ų | 49.7 | 79% | 0.794 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -48.2 | -175.8 | -62.9 | -164 | -2 | 0 | 0 | 112.9 | W396 Q397 | W396-Q399 PolarHBondContact O-N 3.44Å; W396-Q399 VanDerWaalsContact O-N 3.16Å; Q397-Q399 PolarHBondContact O-N 3.43Å; Q397-Q399 VanDerWaalsContact O-N 3.13Å |
| 400 | H | 72.1 | Confident | 82.7 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 31% | 0.306 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.1 | -170.5 | -162.8 | 61.8 | 0 | 0 | 0 | 112.1 | S361 K395 W396 V402 Y436 | S361-H400 PolarHBondContact OG-CE1 2.98Å; K395-H400 CarbonylContact C-O 3.54Å; K395-H400 VanDerWaalsContact CA-O 3.23Å; K395-H400 WeakPolarHBondContact CA-O 3.19Å; W396-H400 HydrophobicContact CB-CB 4.47Å; W396-H400 HydrophobicContact CE3-CB 4.33Å; W396-H400 PolarHBondContact N-O 2.96Å; W396-H400 PolarHBondContact O-N 2.97Å; H400-V402 PolarHBondContact O-N 2.92Å; H400-Y436 AromaticContact CD2-CE2 3.61Å; H400-Y436 AromaticContact NE2-CE2 3.37Å; H400-Y436 WeakPolarHBondContact NE2-CE2 3.24Å; H400-Y436 AromaticContact NE2-CZ 3.37Å; H400-Y436 PolarHBondContact NE2-OH 3.3Å; H400-Y436 VanDerWaalsContact NE2-OH 3.09Å |
| 401 | D | 84.3 | Confident | 81.2 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.6 | 177.7 | -73 | -38 | 0 | 0 | 0 | 110.9 | Y393 K395 F451 | Y393-D401 HydrophobicContact CE2-CB 3.95Å; Y393-D401 WeakPolarHBondContact CE2-OD1 3.37Å; Y393-D401 PolarHBondContact OH-OD1 3.31Å; K395-D401 WeakPolarHBondContact CE-OD1 2.87Å; D401-F451 HydrophobicContact CB-CB 4.27Å; D401-F451 HydrophobicContact CB-CD1 4.19Å |
| 402 | V | 90.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149 | -174.7 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | L377 G394 W396 H400 I404 Y436 V448 | L377-V402 HydrophobicContact CD2-CG2 4.33Å; G394-V402 PolarHBondContact N-O 2.86Å; G394-V402 WeakPolarHBondContact O-CG2 3.17Å; G394-V402 PolarHBondContact O-N 3.25Å; W396-V402 HydrophobicContact CB-CG1 3.76Å; W396-V402 HydrophobicContact CB-CG2 4.12Å; H400-V402 PolarHBondContact O-N 2.92Å; V402-I404 HydrophobicContact CG2-CD1 4.02Å; V402-I404 HydrophobicContact CG2-CG1 3.8Å; V402-Y436 HydrophobicContact CG1-CD2 3.88Å; V402-Y436 HydrophobicContact CG1-CE2 3.94Å; V402-V448 HydrophobicContact CB-CG1 3.74Å; V402-V448 HydrophobicContact CG1-CG1 3.85Å; V402-V448 HydrophobicContact CG2-CG1 4.1Å |
| 403 | A | 92.2 | Very high | 78.4 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 7% | 0.066 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V448 T449 | A403-V448 WeakPolarHBondContact O-CA 3.35Å; A403-T449 PolarHBondContact N-O 3.3Å; A403-T449 PolarHBondContact O-N 2.78Å; A403-T449 PolarHBondContact O-OG1 3.44Å |
| 404 | I | 91.6 | Very high | 77 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 107.8 | -175.3 | -51.2 | 165.4 | 0 | 0 | 0 | 108.3 | L377 F379 K392 V402 Y446 I447 | L377-I404 HydrophobicContact CB-CD1 4.16Å; L377-I404 HydrophobicContact CD1-CD1 4.36Å; L377-I404 HydrophobicContact CD1-CG2 4.37Å; L377-I404 HydrophobicContact CD2-CD1 4.19Å; L377-I404 HydrophobicContact CG-CD1 4.48Å; F379-I404 HydrophobicContact CD1-CD1 3.97Å; F379-I404 HydrophobicContact CD1-CG2 4.47Å; F379-I404 HydrophobicContact CE1-CB 4.23Å; F379-I404 HydrophobicContact CE1-CD1 3.97Å; F379-I404 HydrophobicContact CE1-CG2 3.64Å; F379-I404 HydrophobicContact CZ-CG2 4.27Å; K392-I404 PolarHBondContact N-O 2.78Å; K392-I404 PolarHBondContact O-N 3.46Å; V402-I404 HydrophobicContact CG2-CD1 4.02Å; V402-I404 HydrophobicContact CG2-CG1 3.8Å; I404-Y446 HydrophobicContact CG2-CD1 4.13Å; I404-Y446 HydrophobicContact CG2-CG 4.09Å; I404-I447 WeakPolarHBondContact CA-O 3.32Å |
| 405 | K | 88.6 | Confident | 75.7 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.2 | 177.5 | -176.4 | 174.3 | -167.1 | 174.9 | 0 | 109.9 | V391 I407 Y446 I447 D515 | V391-K405 HydrophobicContact CG2-CB 4.29Å; V391-K405 HydrophobicContact CG2-CD 4.41Å; V391-K405 HydrophobicContact CG2-CG 4.03Å; K405-I407 HydrophobicContact CD-CD1 4.33Å; K405-I407 HydrophobicContact CG-CD1 4.11Å; K405-Y446 WeakPolarHBondContact O-CA 3.31Å; K405-I447 HydrophobicContact CB-CB 4.28Å; K405-I447 PolarHBondContact N-O 3.41Å; K405-I447 PolarHBondContact O-N 3.3Å; K405-D515 IonicContact NZ-OD1 2.65Å; K405-D515 PolarHBondContact NZ-OD1 3.5Å; K405-D515 IonicContact NZ-OD2 3.21Å; K405-D515 PolarHBondContact NZ-OD2 3Å |
| 406 | M | 86.7 | Confident | 74.8 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 20% | 0.197 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.7 | 175.8 | -49.1 | 177.8 | 63.8 | 0 | 0 | 109.2 | G389 V390 K392 P444 Y446 | G389-M406 VanDerWaalsContact CA-O 3.29Å; G389-M406 WeakPolarHBondContact CA-O 3.48Å; V390-M406 HydrophobicContact CB-SD 4.29Å; V390-M406 PolarHBondContact N-O 3.4Å; V390-M406 PolarHBondContact O-N 2.84Å; K392-M406 HydrophobicContact CD-SD 4.18Å; M406-P444 HydrophobicContact CE-CG 3.59Å; M406-Y446 HydrophobicContact CB-CD1 4.15Å; M406-Y446 HydrophobicContact CB-CE1 4.11Å; M406-Y446 HydrophobicContact CE-CE1 3.88Å; M406-Y446 HydrophobicContact CG-CD1 3.81Å; M406-Y446 HydrophobicContact CG-CE1 3.65Å; M406-Y446 HydrophobicContact SD-CE1 4.41Å |
| 407 | I | 78.9 | Confident | 74.2 | Confident | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.087 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 128.8 | 179.4 | -54.3 | -58.7 | 0 | 0 | 0 | 109.8 | K405 S411 F417 I445 I447 | K405-I407 HydrophobicContact CD-CD1 4.33Å; K405-I407 HydrophobicContact CG-CD1 4.11Å; I407-S411 WeakPolarHBondContact CG2-OG 3.37Å; I407-F417 HydrophobicContact CG1-CE2 4.16Å; I407-F417 HydrophobicContact CG1-CZ 4.5Å; I407-I445 HydrophobicContact CB-CB 4.39Å; I407-I445 HydrophobicContact CG1-CG2 4.48Å; I407-I445 PolarHBondContact N-O 2.78Å; I407-I447 HydrophobicContact CD1-CD1 3.84Å; I407-I447 HydrophobicContact CD1-CG1 4.23Å; I407-I447 HydrophobicContact CG1-CD1 4.32Å; I407-I447 HydrophobicContact CG1-CG1 4.25Å |
| 408 | K | 70.9 | Confident | 73.8 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 140.7 | 177 | -75.2 | 173.6 | -178.9 | 153.8 | 0 | 111.2 | G386 Q387 F388 S411 | G386-K408 PolarHBondContact O-NZ 2.87Å; Q387-K408 PolarHBondContact O-NZ 2.91Å; Q387-K408 VanDerWaalsContact O-NZ 3.11Å; F388-K408 PolarHBondContact O-N 3.04Å; K408-S411 PolarHBondContact O-OG 3.39Å |
| 409 | E | 70.1 | Confident | 73.6 | Confident | 131 Ų | 131 | 63.1 Ų | 63.1 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 140.5 | 176.6 | -65.6 | -168.6 | 156.7 | 0 | 0 | 112.3 | R443 | E409-R443 WeakPolarHBondContact OE1-CD 3.22Å; E409-R443 IonicContact OE1-NH1 3.82Å; E409-R443 PolarHBondContact OE1-NH1 3.1Å |
| 410 | G | 62.3 | Low | 73.3 | Confident | 82 Ų | 82 | 57.3 Ų | 57.3 | 85% | 0.845 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 3.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 411 | S | 56.3 | Low | 73.3 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -77.1 | -28.8 | 176 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | I407 K408 | I407-S411 WeakPolarHBondContact CG2-OG 3.37Å; K408-S411 PolarHBondContact O-OG 3.39Å |
| 412 | M | 60.6 | Low | 72.6 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -157.7 | 156.6 | -177 | -166.5 | -178.6 | -79.7 | 0 | 0 | 110.4 | D416 F417 E420 L518 | M412-D416 HydrophobicContact CG-CB 4.21Å; M412-D416 HydrophobicContact SD-CB 4.43Å; M412-F417 HydrophobicContact CG-CB 4.46Å; M412-F417 HydrophobicContact SD-CB 3.74Å; M412-F417 HydrophobicContact SD-CD2 4.23Å; M412-E420 WeakPolarHBondContact CE-OE2 3.17Å; M412-L518 HydrophobicContact CE-CD2 4.34Å |
| 413 | S | 63.7 | Low | 71.6 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | trans | -68.1 | 145.5 | 166 | 32.5 | 0 | 0 | 0 | 0 | 110.5 | D415 D416 F417 | S413-D415 VanDerWaalsContact C-N 3.33Å; S413-D415 PolarHBondContact O-N 3.19Å; S413-D416 WeakPolarHBondContact OG-CB 3.29Å; S413-D416 PolarHBondContact OG-OD1 2.64Å; S413-D416 PolarHBondContact OG-OD2 2.88Å; S413-F417 WeakPolarHBondContact O-CB 3.33Å; S413-F417 PolarHBondContact O-N 2.81Å | ||
| 414 | E | 66.1 | Low | 70.6 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | -180 | -60.4 | -177.4 | 151.8 | 0 | 0 | 112 | F417 I418 R443 I445 | E414-F417 WeakPolarHBondContact O-CB 3.5Å; E414-F417 PolarHBondContact O-N 2.8Å; E414-I418 VanDerWaalsContact O-CG1 3.31Å; E414-I418 WeakPolarHBondContact O-CG1 3.46Å; E414-I418 PolarHBondContact O-N 3.47Å; E414-R443 VanDerWaalsContact CD-NH2 3.31Å; E414-R443 IonicContact OE1-CZ 2.88Å; E414-R443 IonicContact OE1-NE 2.71Å; E414-R443 PolarHBondContact OE1-NE 2.84Å; E414-R443 IonicContact OE1-NH2 3.88Å; E414-R443 PolarHBondContact OE1-NH2 3.47Å; E414-I445 HydrophobicContact CG-CD1 4.13Å |
| 415 | D | 65.1 | Low | 69.6 | Low | 119 Ų | 119 | 60 Ų | 60 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64 | -50 | 179.2 | -62.2 | -35.5 | 0 | 0 | 0 | 111.5 | S413 F417 I418 E419 | S413-D415 VanDerWaalsContact C-N 3.33Å; S413-D415 PolarHBondContact O-N 3.19Å; D415-F417 VanDerWaalsContact C-N 3.25Å; D415-F417 PolarHBondContact O-N 3.34Å; D415-I418 PolarHBondContact O-N 3.38Å; D415-E419 WeakPolarHBondContact O-CG 3.26Å; D415-E419 PolarHBondContact O-N 3.08Å |
| 416 | D | 65.1 | Low | 68.7 | Low | 54 Ų | 54 | 66.3 Ų | 66.3 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 175.6 | -64.3 | 40.5 | 0 | 0 | 0 | 110.3 | K18 M412 S413 E419 E420 | K18-D416 IonicContact NZ-OD2 2.83Å; K18-D416 PolarHBondContact NZ-OD2 2.67Å; M412-D416 HydrophobicContact CG-CB 4.21Å; M412-D416 HydrophobicContact SD-CB 4.43Å; S413-D416 WeakPolarHBondContact OG-CB 3.29Å; S413-D416 PolarHBondContact OG-OD1 2.64Å; S413-D416 PolarHBondContact OG-OD2 2.88Å; D416-E419 PolarHBondContact O-N 3.09Å; D416-E420 WeakPolarHBondContact O-CB 3.45Å; D416-E420 WeakPolarHBondContact O-CG 3.41Å; D416-E420 PolarHBondContact O-N 3.15Å |
| 417 | F | 69.9 | Low | 68.2 | Low | 12 Ų | 12 | 64.7 Ų | 64.7 | 5% | 0.053 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 177.7 | 175.8 | -90.9 | 0 | 0 | 0 | 112.9 | I407 M412 S413 E414 D415 E419 E420 A421 V438 T440 I445 I447 | I407-F417 HydrophobicContact CG1-CE2 4.16Å; I407-F417 HydrophobicContact CG1-CZ 4.5Å; M412-F417 HydrophobicContact CG-CB 4.46Å; M412-F417 HydrophobicContact SD-CB 3.74Å; M412-F417 HydrophobicContact SD-CD2 4.23Å; S413-F417 WeakPolarHBondContact O-CB 3.33Å; S413-F417 PolarHBondContact O-N 2.81Å; E414-F417 WeakPolarHBondContact O-CB 3.5Å; E414-F417 PolarHBondContact O-N 2.8Å; D415-F417 VanDerWaalsContact C-N 3.25Å; D415-F417 PolarHBondContact O-N 3.34Å; F417-E419 VanDerWaalsContact C-N 3.35Å; F417-E420 PolarHBondContact O-N 3.03Å; F417-A421 HydrophobicContact CE1-CB 4.49Å; F417-A421 VanDerWaalsContact O-CB 3.23Å; F417-A421 WeakPolarHBondContact O-CB 3.42Å; F417-A421 PolarHBondContact O-N 3.38Å; F417-V438 HydrophobicContact CE1-CB 4.1Å; F417-V438 HydrophobicContact CE1-CG1 3.99Å; F417-V438 HydrophobicContact CE1-CG2 4.47Å; F417-V438 HydrophobicContact CZ-CB 4.49Å; F417-V438 HydrophobicContact CZ-CG1 4.01Å; F417-T440 HydrophobicContact CD1-CG2 4.03Å; F417-T440 HydrophobicContact CE1-CG2 3.89Å; F417-I445 HydrophobicContact CD1-CD1 4.43Å; F417-I445 HydrophobicContact CD1-CG2 3.96Å; F417-I445 HydrophobicContact CE1-CG2 3.31Å; F417-I445 HydrophobicContact CE2-CG2 4.29Å; F417-I445 HydrophobicContact CZ-CG2 3.48Å; F417-I445 VanDerWaalsContact CZ-CG2 3.48Å; F417-I447 HydrophobicContact CE2-CD1 3.88Å; F417-I447 HydrophobicContact CE2-CG1 3.94Å; F417-I447 HydrophobicContact CZ-CD1 4.07Å; F417-I447 HydrophobicContact CZ-CG1 3.6Å |
| 418 | I | 69.5 | Low | 67.9 | Low | 34 Ų | 34 | 66.4 Ų | 66.4 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 179.3 | -72.4 | 163.1 | 0 | 0 | 0 | 110.4 | W370 E414 D415 A421 K422 T440 | W370-I418 HydrophobicContact CH2-CG1 4.41Å; W370-I418 HydrophobicContact CH2-CG2 3.72Å; W370-I418 HydrophobicContact CZ2-CG2 4.42Å; W370-I418 HydrophobicContact CZ3-CG1 4.39Å; W370-I418 HydrophobicContact CZ3-CG2 3.97Å; E414-I418 VanDerWaalsContact O-CG1 3.31Å; E414-I418 WeakPolarHBondContact O-CG1 3.46Å; E414-I418 PolarHBondContact O-N 3.47Å; D415-I418 PolarHBondContact O-N 3.38Å; I418-A421 PolarHBondContact O-N 2.89Å; I418-K422 HydrophobicContact CG2-CD 4.2Å; I418-K422 VanDerWaalsContact O-CG 3.32Å; I418-K422 WeakPolarHBondContact O-CG 3.42Å; I418-K422 PolarHBondContact O-N 2.86Å; I418-T440 HydrophobicContact CD1-CG2 4.2Å; I418-T440 HydrophobicContact CG1-CG2 3.74Å |
| 419 | E | 67.6 | Low | 68.5 | Low | 134 Ų | 134 | 64.4 Ų | 64.4 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.9 | -48.3 | 176.1 | -72.3 | -174.2 | 173.2 | 0 | 0 | 111.1 | D415 D416 F417 A421 K422 V423 | D415-E419 WeakPolarHBondContact O-CG 3.26Å; D415-E419 PolarHBondContact O-N 3.08Å; D416-E419 PolarHBondContact O-N 3.09Å; F417-E419 VanDerWaalsContact C-N 3.35Å; E419-A421 PolarHBondContact O-N 3.4Å; E419-K422 PolarHBondContact O-N 3.25Å; E419-V423 WeakPolarHBondContact O-CG2 3.13Å; E419-V423 PolarHBondContact O-N 3.48Å |
| 420 | E | 68.7 | Low | 69.2 | Low | 48 Ų | 48 | 63.4 Ų | 63.4 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 176.6 | -75.4 | -178.5 | -176 | 0 | 0 | 111.5 | M412 D416 F417 K422 V423 M424 | M412-E420 WeakPolarHBondContact CE-OE2 3.17Å; D416-E420 WeakPolarHBondContact O-CB 3.45Å; D416-E420 WeakPolarHBondContact O-CG 3.41Å; D416-E420 PolarHBondContact O-N 3.15Å; F417-E420 PolarHBondContact O-N 3.03Å; E420-K422 VanDerWaalsContact C-N 3.35Å; E420-K422 PolarHBondContact O-N 3.31Å; E420-V423 PolarHBondContact O-N 2.92Å; E420-M424 WeakPolarHBondContact O-CB 3.5Å; E420-M424 VanDerWaalsContact O-CG 3.32Å; E420-M424 WeakPolarHBondContact O-CG 3.44Å; E420-M424 PolarHBondContact O-N 3.34Å |
| 421 | A | 71.6 | Confident | 70.6 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F417 I418 E419 V423 M424 M425 V438 | F417-A421 HydrophobicContact CE1-CB 4.49Å; F417-A421 VanDerWaalsContact O-CB 3.23Å; F417-A421 WeakPolarHBondContact O-CB 3.42Å; F417-A421 PolarHBondContact O-N 3.38Å; I418-A421 PolarHBondContact O-N 2.89Å; E419-A421 PolarHBondContact O-N 3.4Å; A421-V423 PolarHBondContact O-N 3.2Å; A421-M424 WeakPolarHBondContact O-CB 3.41Å; A421-M424 PolarHBondContact O-N 3.19Å; A421-M425 VanDerWaalsContact O-CG 3.29Å; A421-M425 WeakPolarHBondContact O-CG 3.49Å; A421-M425 PolarHBondContact O-N 2.96Å; A421-V438 HydrophobicContact CB-CG1 3.74Å; A421-V438 HydrophobicContact CB-CG2 4.24Å |
| 422 | K | 69.6 | Low | 72.2 | Confident | 94 Ų | 94 | 56.4 Ų | 56.4 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 177.8 | -78.2 | 173 | -179.9 | 174.2 | 0 | 112.8 | I418 E419 E420 | I418-K422 HydrophobicContact CG2-CD 4.2Å; I418-K422 VanDerWaalsContact O-CG 3.32Å; I418-K422 WeakPolarHBondContact O-CG 3.42Å; I418-K422 PolarHBondContact O-N 2.86Å; E419-K422 PolarHBondContact O-N 3.25Å; E420-K422 VanDerWaalsContact C-N 3.35Å; E420-K422 PolarHBondContact O-N 3.31Å |
| 423 | V | 69.6 | Low | 73.6 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74.2 | -41.6 | 176.5 | -168.4 | 0 | 0 | 0 | 0 | 110 | E419 E420 A421 M425 K426 Y493 | E419-V423 WeakPolarHBondContact O-CG2 3.13Å; E419-V423 PolarHBondContact O-N 3.48Å; E420-V423 PolarHBondContact O-N 2.92Å; A421-V423 PolarHBondContact O-N 3.2Å; V423-M425 VanDerWaalsContact C-N 3.29Å; V423-M425 PolarHBondContact O-N 3.2Å; V423-K426 VanDerWaalsContact O-CB 3.31Å; V423-K426 WeakPolarHBondContact O-CB 3.35Å; V423-K426 PolarHBondContact O-N 3.43Å; V423-Y493 WeakPolarHBondContact CB-OH 3.36Å; V423-Y493 HydrophobicContact CG1-CE2 4.08Å; V423-Y493 WeakPolarHBondContact CG1-OH 3.31Å |
| 424 | M | 70.6 | Confident | 74.6 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -36.9 | 174.6 | -82.9 | -171.9 | 71.9 | 0 | 0 | 114.4 | E420 A421 K426 L427 L435 F516 G517 | E420-M424 WeakPolarHBondContact O-CB 3.5Å; E420-M424 VanDerWaalsContact O-CG 3.32Å; E420-M424 WeakPolarHBondContact O-CG 3.44Å; E420-M424 PolarHBondContact O-N 3.34Å; A421-M424 WeakPolarHBondContact O-CB 3.41Å; A421-M424 PolarHBondContact O-N 3.19Å; M424-K426 PolarHBondContact O-N 3.49Å; M424-K426 VanDerWaalsContact O-N 3.15Å; M424-L427 WeakPolarHBondContact O-CB 3.34Å; M424-L427 PolarHBondContact O-N 2.78Å; M424-L435 HydrophobicContact CB-CD2 3.8Å; M424-L435 HydrophobicContact CE-CD2 4.23Å; M424-F516 HydrophobicContact CE-CD2 3.71Å; M424-F516 HydrophobicContact CE-CE2 3.69Å; M424-F516 HydrophobicContact CE-CZ 4.49Å; M424-G517 VanDerWaalsContact CE-N 3.26Å; M424-G517 WeakPolarHBondContact SD-CA 3.48Å |
| 425 | M | 71.1 | Confident | 75.4 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.7 | 177.1 | -80.6 | -172 | 75.1 | 0 | 0 | 113.6 | W370 A421 V423 R428 L435 | W370-M425 HydrophobicContact CB-CE 3.77Å; W370-M425 HydrophobicContact CB-SD 3.27Å; W370-M425 WeakPolarHBondContact CB-SD 3.34Å; A421-M425 VanDerWaalsContact O-CG 3.29Å; A421-M425 WeakPolarHBondContact O-CG 3.49Å; A421-M425 PolarHBondContact O-N 2.96Å; V423-M425 VanDerWaalsContact C-N 3.29Å; V423-M425 PolarHBondContact O-N 3.2Å; M425-R428 PolarHBondContact O-NE 3.07Å; M425-L435 HydrophobicContact CB-CD2 4.48Å; M425-L435 HydrophobicContact CG-CD2 3.53Å; M425-L435 HydrophobicContact CG-CG 3.92Å |
| 426 | K | 69.6 | Low | 76.1 | Confident | 150 Ų | 150 | 43.1 Ų | 43.1 | 65% | 0.652 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -18.9 | 174.2 | -57 | -180 | 178.8 | -175.2 | 0 | 112.6 | V423 M424 R428 | V423-K426 VanDerWaalsContact O-CB 3.31Å; V423-K426 WeakPolarHBondContact O-CB 3.35Å; V423-K426 PolarHBondContact O-N 3.43Å; M424-K426 PolarHBondContact O-N 3.49Å; M424-K426 VanDerWaalsContact O-N 3.15Å; K426-R428 PolarHBondContact O-N 3.11Å |
| 427 | L | 75 | Confident | 76.9 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | trans | -76.9 | 119.5 | 178.8 | -60.3 | 177 | 0 | 0 | 0 | 109.8 | M424 Y487 L488 Q491 Y493 F516 | M424-L427 WeakPolarHBondContact O-CB 3.34Å; M424-L427 PolarHBondContact O-N 2.78Å; L427-Y487 HydrophobicContact CB-CE1 4.18Å; L427-Y487 HydrophobicContact CD2-CE1 4.04Å; L427-L488 HydrophobicContact CD1-CD2 3.89Å; L427-Q491 HydrophobicContact CD2-CB 3.73Å; L427-Q491 HydrophobicContact CD2-CG 3.77Å; L427-Y493 HydrophobicContact CD1-CD1 4.07Å; L427-Y493 HydrophobicContact CD1-CD2 3.93Å; L427-Y493 HydrophobicContact CD1-CE1 4.02Å; L427-Y493 HydrophobicContact CD1-CE2 3.88Å; L427-Y493 HydrophobicContact CD1-CG 4.02Å; L427-Y493 HydrophobicContact CD2-CD2 3.93Å; L427-Y493 HydrophobicContact CD2-CE2 3.93Å; L427-Y493 HydrophobicContact CG-CD2 4.5Å; L427-Y493 HydrophobicContact CG-CE2 4.27Å; L427-F516 HydrophobicContact CB-CE2 4.22Å; L427-F516 HydrophobicContact CD1-CD2 3.95Å; L427-F516 HydrophobicContact CD1-CE2 3.91Å | ||
| 428 | R | 73.9 | Confident | 77.7 | Confident | 53 Ų | 53 | 40 Ų | 40 | 20% | 0.2 | 19% | 0.187 | C | C | . | . | trans | -146.9 | 122.5 | -174.5 | -60.4 | -176.3 | 179.7 | -154.9 | 0.9 | 110.7 | N226 A363 M425 K426 Y487 | N226-R428 VanDerWaalsContact ND2-CZ 3.32Å; N226-R428 WeakPolarHBondContact OD1-CD 3.3Å; N226-R428 VanDerWaalsContact OD1-CZ 3.23Å; N226-R428 PolarHBondContact OD1-NE 3.35Å; N226-R428 PolarHBondContact OD1-NH1 3.12Å; A363-R428 VanDerWaalsContact C-NH2 3.31Å; A363-R428 VanDerWaalsContact CA-NH2 3.3Å; A363-R428 PolarHBondContact O-NH2 3.4Å; A363-R428 VanDerWaalsContact O-NH2 3.13Å; M425-R428 PolarHBondContact O-NE 3.07Å; K426-R428 PolarHBondContact O-N 3.11Å; R428-Y487 PolarHBondContact N-OH 2.87Å; R428-Y487 WeakPolarHBondContact O-CE2 3.47Å; R428-Y487 VanDerWaalsContact O-CZ 3.23Å; R428-Y487 PolarHBondContact O-OH 2.64Å | ||
| 429 | H | 82.6 | Confident | 78.5 | Confident | 60 Ų | 60 | 38.4 Ų | 38.4 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | trans | -160.3 | 147.5 | -179 | -173.5 | -90.7 | 0 | 0 | 0 | 108.5 | N431 L432 Y487 | H429-N431 PolarHBondContact CE1-OD1 3.41Å; H429-N431 PolarHBondContact ND1-N 3.05Å; H429-N431 PolarHBondContact O-N 2.91Å; H429-L432 HydrophobicContact CB-CB 4.14Å; H429-L432 HydrophobicContact CB-CD1 3.92Å; H429-L432 HydrophobicContact CB-CG 3.84Å; H429-L432 PolarHBondContact O-N 3.25Å; H429-Y487 HydrophobicContact CB-CD1 3.89Å; H429-Y487 HydrophobicContact CB-CD2 4.3Å; H429-Y487 HydrophobicContact CB-CE1 4.27Å; H429-Y487 HydrophobicContact CB-CG 3.88Å; H429-Y487 AromaticContact CD2-CD2 3.92Å; H429-Y487 AromaticContact CD2-CG 3.84Å | ||
| 430 | E | 83.8 | Confident | 79.2 | Confident | 109 Ų | 109 | 33 Ų | 33 | 51% | 0.509 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -39.4 | -177.8 | -173.1 | 175.5 | 168.4 | 0 | 0 | 112 | K512 | E430-K512 WeakPolarHBondContact O-CD 3.48Å; E430-K512 WeakPolarHBondContact O-CE 3.43Å |
| 431 | N | 92.9 | Very high | 79.6 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 20.1 | 178.1 | -49.9 | 97.9 | 0 | 0 | 0 | 114.9 | H429 D480 E483 I511 K512 V513 | H429-N431 PolarHBondContact CE1-OD1 3.41Å; H429-N431 PolarHBondContact ND1-N 3.05Å; H429-N431 PolarHBondContact O-N 2.91Å; N431-D480 WeakPolarHBondContact CB-O 3.41Å; N431-D480 VanDerWaalsContact CG-O 3.24Å; N431-D480 VanDerWaalsContact ND2-CB 3.31Å; N431-D480 WeakPolarHBondContact ND2-CB 3.36Å; N431-E483 PolarHBondContact OD1-OE2 3.5Å; N431-I511 PolarHBondContact ND2-O 3.11Å; N431-I511 VanDerWaalsContact ND2-O 3.14Å; N431-K512 CarbonylContact O-C 3.43Å; N431-K512 WeakPolarHBondContact O-CA 3.41Å; N431-V513 PolarHBondContact O-N 3.06Å |
| 432 | L | 90.7 | Very high | 79.7 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -118.7 | 139.8 | 169 | -67.4 | -175.3 | 0 | 0 | 0 | 109.7 | H429 Q434 Y487 L488 V513 F516 | H429-L432 HydrophobicContact CB-CB 4.14Å; H429-L432 HydrophobicContact CB-CD1 3.92Å; H429-L432 HydrophobicContact CB-CG 3.84Å; H429-L432 PolarHBondContact O-N 3.25Å; L432-Q434 PolarHBondContact O-N 3.38Å; L432-Y487 HydrophobicContact CD1-CD1 3.53Å; L432-Y487 HydrophobicContact CD1-CE1 3.91Å; L432-L488 HydrophobicContact CD1-CD2 3.66Å; L432-L488 HydrophobicContact CD1-CG 3.93Å; L432-L488 HydrophobicContact CD2-CD1 4Å; L432-L488 HydrophobicContact CD2-CD2 4.5Å; L432-L488 HydrophobicContact CD2-CG 4.09Å; L432-V513 HydrophobicContact CD2-CB 3.73Å; L432-V513 HydrophobicContact CD2-CG2 4.35Å; L432-F516 HydrophobicContact CB-CE1 4.02Å; L432-F516 HydrophobicContact CB-CZ 4.21Å; L432-F516 HydrophobicContact CD1-CZ 4.46Å; L432-F516 HydrophobicContact CD2-CD1 4.31Å; L432-F516 HydrophobicContact CD2-CE1 4.21Å |
| 433 | V | 89.4 | Confident | 80 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 120.6 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 109.7 | L435 T449 E450 L452 L504 K512 V513 F516 | V433-L435 PolarHBondContact O-N 2.85Å; V433-T449 HydrophobicContact CG1-CG2 4.16Å; V433-E450 HydrophobicContact CG1-CG 3.81Å; V433-L452 HydrophobicContact CG2-CD1 4.45Å; V433-L504 HydrophobicContact CG2-CB 4.33Å; V433-L504 HydrophobicContact CG2-CD1 3.98Å; V433-L504 HydrophobicContact CG2-CG 4.33Å; V433-K512 HydrophobicContact CG2-CB 3.68Å; V433-V513 PolarHBondContact N-O 3.3Å; V433-F516 WeakPolarHBondContact O-CZ 3.29Å |
| 434 | Q | 84.1 | Confident | 80.5 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 125.2 | -178 | -172.6 | 58.2 | 61.8 | 0 | 0 | 111.5 | L432 Y436 T449 E450 | L432-Q434 PolarHBondContact O-N 3.38Å; Q434-Y436 HydrophobicContact CB-CE1 4.25Å; Q434-Y436 HydrophobicContact CG-CD1 4Å; Q434-Y436 HydrophobicContact CG-CE1 3.89Å; Q434-T449 VanDerWaalsContact O-CA 3.27Å; Q434-T449 WeakPolarHBondContact O-CA 3.45Å; Q434-T449 WeakPolarHBondContact O-CB 3.35Å; Q434-E450 HydrophobicContact CB-CG 4.2Å; Q434-E450 WeakPolarHBondContact CB-OE1 3.39Å; Q434-E450 PolarHBondContact N-OE1 3.4Å; Q434-E450 PolarHBondContact O-N 3.48Å; Q434-E450 VanDerWaalsContact O-N 3.08Å |
| 435 | L | 83.4 | Confident | 81.1 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 120.2 | 167.5 | -179 | 64 | 0 | 0 | 0 | 109.5 | M424 M425 V433 I447 V448 T449 | M424-L435 HydrophobicContact CB-CD2 3.8Å; M424-L435 HydrophobicContact CE-CD2 4.23Å; M425-L435 HydrophobicContact CB-CD2 4.48Å; M425-L435 HydrophobicContact CG-CD2 3.53Å; M425-L435 HydrophobicContact CG-CG 3.92Å; V433-L435 PolarHBondContact O-N 2.85Å; L435-I447 HydrophobicContact CD1-CG2 3.27Å; L435-V448 WeakPolarHBondContact CD1-O 3.36Å; L435-T449 HydrophobicContact CD1-CG2 3.98Å |
| 436 | Y | 80.1 | Confident | 81.8 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -35.5 | 176.5 | -63.6 | -32.7 | 0 | 0 | 0 | 112.5 | S361 L365 H400 V402 Q434 V448 E450 | S361-Y436 WeakPolarHBondContact CB-OH 3.39Å; S361-Y436 PolarHBondContact OG-OH 2.86Å; L365-Y436 WeakPolarHBondContact CD1-O 3.41Å; H400-Y436 AromaticContact CD2-CE2 3.61Å; H400-Y436 AromaticContact NE2-CE2 3.37Å; H400-Y436 WeakPolarHBondContact NE2-CE2 3.24Å; H400-Y436 AromaticContact NE2-CZ 3.37Å; H400-Y436 PolarHBondContact NE2-OH 3.3Å; H400-Y436 VanDerWaalsContact NE2-OH 3.09Å; V402-Y436 HydrophobicContact CG1-CD2 3.88Å; V402-Y436 HydrophobicContact CG1-CE2 3.94Å; Q434-Y436 HydrophobicContact CB-CE1 4.25Å; Q434-Y436 HydrophobicContact CG-CD1 4Å; Q434-Y436 HydrophobicContact CG-CE1 3.89Å; Y436-V448 HydrophobicContact CD2-CG1 4.39Å; Y436-V448 PolarHBondContact N-O 2.86Å; Y436-E450 HydrophobicContact CE1-CB 4.34Å; Y436-E450 VanDerWaalsContact CE2-CA 3.48Å; Y436-E450 HydrophobicContact CE2-CB 4.07Å; Y436-E450 WeakPolarHBondContact OH-CB 3.36Å |
| 437 | G | 82.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.5 | -175.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W370 V448 | W370-G437 VanDerWaalsContact O-CA 3.29Å; W370-G437 WeakPolarHBondContact O-CA 3.49Å; G437-V448 PolarHBondContact N-O 3.21Å; G437-V448 PolarHBondContact O-N 2.91Å |
| 438 | V | 85.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.3 | -179.8 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | W370 E371 I372 F417 A421 T440 Y446 I447 | W370-V438 HydrophobicContact CE3-CG2 3.57Å; W370-V438 HydrophobicContact CZ3-CG2 3.67Å; W370-V438 PolarHBondContact O-N 3.5Å; E371-V438 CarbonylContact C-O 3.48Å; E371-V438 WeakPolarHBondContact CA-O 3.18Å; I372-V438 PolarHBondContact N-O 3.11Å; F417-V438 HydrophobicContact CE1-CB 4.1Å; F417-V438 HydrophobicContact CE1-CG1 3.99Å; F417-V438 HydrophobicContact CE1-CG2 4.47Å; F417-V438 HydrophobicContact CZ-CB 4.49Å; F417-V438 HydrophobicContact CZ-CG1 4.01Å; A421-V438 HydrophobicContact CB-CG1 3.74Å; A421-V438 HydrophobicContact CB-CG2 4.24Å; V438-T440 HydrophobicContact CB-CG2 4.46Å; V438-T440 HydrophobicContact CG2-CG2 4.06Å; V438-Y446 CarbonylContact C-O 3.56Å; V438-Y446 VanDerWaalsContact CA-O 3.22Å; V438-Y446 WeakPolarHBondContact CA-O 3.04Å; V438-Y446 WeakPolarHBondContact CB-O 3.33Å; V438-I447 HydrophobicContact CG1-CG1 4.35Å |
| 439 | C | 87.3 | Confident | 84 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 106.2 | 171 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | I372 P374 L377 I445 Y446 | I372-C439 PolarHBondContact O-SG 3.15Å; P374-C439 HydrophobicContact CG-CB 4.1Å; L377-C439 VanDerWaalsContact CD1-SG 3.54Å; C439-I445 WeakPolarHBondContact O-CA 3.26Å; C439-I445 WeakPolarHBondContact O-CG2 3.02Å; C439-Y446 HydrophobicContact CB-CD2 3.56Å; C439-Y446 HydrophobicContact CB-CG 4.12Å; C439-Y446 PolarHBondContact N-O 3.1Å; C439-Y446 PolarHBondContact O-N 3.44Å; C439-Y446 VanDerWaalsContact O-N 3.11Å |
| 440 | T | 81.6 | Confident | 84.2 | Confident | 19 Ų | 19 | 34.6 Ų | 34.6 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | trans | -111.7 | -17.7 | -176.7 | 40.9 | 0 | 0 | 0 | 0 | 113.8 | E371 F417 I418 V438 Q442 I445 | E371-T440 PolarHBondContact OE1-OG1 3.22Å; F417-T440 HydrophobicContact CD1-CG2 4.03Å; F417-T440 HydrophobicContact CE1-CG2 3.89Å; I418-T440 HydrophobicContact CD1-CG2 4.2Å; I418-T440 HydrophobicContact CG1-CG2 3.74Å; V438-T440 HydrophobicContact CB-CG2 4.46Å; V438-T440 HydrophobicContact CG2-CG2 4.06Å; T440-Q442 VanDerWaalsContact C-N 3.3Å; T440-Q442 PolarHBondContact O-N 3.02Å; T440-I445 HydrophobicContact CG2-CG2 4.16Å | ||
| 441 | K | 76.1 | Confident | 84.5 | Confident | 167 Ų | 167 | 32.3 Ų | 32.3 | 73% | 0.726 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -69.1 | -21.8 | -179.8 | -59.8 | -167.4 | 156.5 | 124.7 | 0 | 115 | E371 | E371-K441 HydrophobicContact CG-CG 4.43Å; E371-K441 WeakPolarHBondContact OE1-CG 3.18Å; E371-K441 WeakPolarHBondContact OE2-CE 3.07Å; E371-K441 IonicContact OE2-NZ 3.25Å; E371-K441 PolarHBondContact OE2-NZ 2.77Å |
| 442 | Q | 74 | Confident | 84.4 | Confident | 110 Ų | 110 | 32.7 Ų | 32.7 | 51% | 0.514 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -132.6 | 141.4 | -177.2 | -170.7 | 175.9 | 2.1 | 0 | 0 | 109.9 | P374 T440 P444 | P374-Q442 HydrophobicContact CG-CB 4.02Å; T440-Q442 VanDerWaalsContact C-N 3.3Å; T440-Q442 PolarHBondContact O-N 3.02Å; Q442-P444 CarbonylContact O-C 3.54Å; Q442-P444 VanDerWaalsContact O-O 3.11Å |
| 443 | R | 77.1 | Confident | 84.2 | Confident | 126 Ų | 126 | 35.5 Ų | 35.5 | 48% | 0.475 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -88.9 | 145.4 | 173.6 | -71.6 | 176.7 | 171 | -95.4 | 2.3 | 111.4 | E409 E414 | E409-R443 WeakPolarHBondContact OE1-CD 3.22Å; E409-R443 IonicContact OE1-NH1 3.82Å; E409-R443 PolarHBondContact OE1-NH1 3.1Å; E414-R443 VanDerWaalsContact CD-NH2 3.31Å; E414-R443 IonicContact OE1-CZ 2.88Å; E414-R443 IonicContact OE1-NE 2.71Å; E414-R443 PolarHBondContact OE1-NE 2.84Å; E414-R443 IonicContact OE1-NH2 3.88Å; E414-R443 PolarHBondContact OE1-NH2 3.47Å |
| 444 | P | 78.5 | Confident | 84.3 | Confident | 41 Ų | 41 | 38.6 Ų | 38.6 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | S | Bend | cis | -70.9 | 155.4 | -7.4 | 28.5 | -32.9 | 0 | 0 | 0 | 112.7 | M406 Q442 Y446 | M406-P444 HydrophobicContact CE-CG 3.59Å; Q442-P444 CarbonylContact O-C 3.54Å; Q442-P444 VanDerWaalsContact O-O 3.11Å; P444-Y446 WeakPolarHBondContact CD-OH 3.43Å; P444-Y446 HydrophobicContact CG-CE1 3.81Å; P444-Y446 WeakPolarHBondContact O-CE1 3.46Å; P444-Y446 WeakPolarHBondContact O-CE2 3.23Å |
| 445 | I | 83.9 | Confident | 84.7 | Confident | 18 Ų | 18 | 38.7 Ų | 38.7 | 9% | 0.092 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 141.9 | 178.8 | -64.8 | 173 | 0 | 0 | 0 | 110 | I407 E414 F417 C439 T440 | I407-I445 HydrophobicContact CB-CB 4.39Å; I407-I445 HydrophobicContact CG1-CG2 4.48Å; I407-I445 PolarHBondContact N-O 2.78Å; E414-I445 HydrophobicContact CG-CD1 4.13Å; F417-I445 HydrophobicContact CD1-CD1 4.43Å; F417-I445 HydrophobicContact CD1-CG2 3.96Å; F417-I445 HydrophobicContact CE1-CG2 3.31Å; F417-I445 HydrophobicContact CE2-CG2 4.29Å; F417-I445 HydrophobicContact CZ-CG2 3.48Å; F417-I445 VanDerWaalsContact CZ-CG2 3.48Å; C439-I445 WeakPolarHBondContact O-CA 3.26Å; C439-I445 WeakPolarHBondContact O-CG2 3.02Å; T440-I445 HydrophobicContact CG2-CG2 4.16Å |
| 446 | Y | 87 | Confident | 85.2 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.7 | 176.7 | -49.8 | -55.8 | 0 | 0 | 0 | 112.5 | P374 F379 I404 K405 M406 V438 C439 P444 | P374-Y446 HydrophobicContact CB-CE2 4.43Å; F379-Y446 HydrophobicContact CE1-CE1 4.38Å; F379-Y446 HydrophobicContact CZ-CD2 4.43Å; F379-Y446 HydrophobicContact CZ-CE1 4.19Å; F379-Y446 HydrophobicContact CZ-CE2 4.04Å; F379-Y446 AromaticContact CZ-CZ 3.92Å; I404-Y446 HydrophobicContact CG2-CD1 4.13Å; I404-Y446 HydrophobicContact CG2-CG 4.09Å; K405-Y446 WeakPolarHBondContact O-CA 3.31Å; M406-Y446 HydrophobicContact CB-CD1 4.15Å; M406-Y446 HydrophobicContact CB-CE1 4.11Å; M406-Y446 HydrophobicContact CE-CE1 3.88Å; M406-Y446 HydrophobicContact CG-CD1 3.81Å; M406-Y446 HydrophobicContact CG-CE1 3.65Å; M406-Y446 HydrophobicContact SD-CE1 4.41Å; V438-Y446 CarbonylContact C-O 3.56Å; V438-Y446 VanDerWaalsContact CA-O 3.22Å; V438-Y446 WeakPolarHBondContact CA-O 3.04Å; V438-Y446 WeakPolarHBondContact CB-O 3.33Å; C439-Y446 HydrophobicContact CB-CD2 3.56Å; C439-Y446 HydrophobicContact CB-CG 4.12Å; C439-Y446 PolarHBondContact N-O 3.1Å; C439-Y446 PolarHBondContact O-N 3.44Å; C439-Y446 VanDerWaalsContact O-N 3.11Å; P444-Y446 WeakPolarHBondContact CD-OH 3.43Å; P444-Y446 HydrophobicContact CG-CE1 3.81Å; P444-Y446 WeakPolarHBondContact O-CE1 3.46Å; P444-Y446 WeakPolarHBondContact O-CE2 3.23Å |
| 447 | I | 87.1 | Confident | 86 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.077 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.7 | 162.2 | -59.3 | 178.1 | 0 | 0 | 0 | 107.2 | I404 K405 I407 F417 L435 V438 T449 | I404-I447 WeakPolarHBondContact CA-O 3.32Å; K405-I447 HydrophobicContact CB-CB 4.28Å; K405-I447 PolarHBondContact N-O 3.41Å; K405-I447 PolarHBondContact O-N 3.3Å; I407-I447 HydrophobicContact CD1-CD1 3.84Å; I407-I447 HydrophobicContact CD1-CG1 4.23Å; I407-I447 HydrophobicContact CG1-CD1 4.32Å; I407-I447 HydrophobicContact CG1-CG1 4.25Å; F417-I447 HydrophobicContact CE2-CD1 3.88Å; F417-I447 HydrophobicContact CE2-CG1 3.94Å; F417-I447 HydrophobicContact CZ-CD1 4.07Å; F417-I447 HydrophobicContact CZ-CG1 3.6Å; L435-I447 HydrophobicContact CD1-CG2 3.27Å; V438-I447 HydrophobicContact CG1-CG1 4.35Å; I447-T449 HydrophobicContact CG2-CG2 4.1Å |
| 448 | V | 87.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.2 | -179.6 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | I372 L377 V402 A403 L435 Y436 G437 | I372-V448 HydrophobicContact CD1-CB 3.56Å; I372-V448 HydrophobicContact CD1-CG1 3.99Å; I372-V448 HydrophobicContact CD1-CG2 3.6Å; L377-V448 HydrophobicContact CD1-CG2 3.78Å; L377-V448 HydrophobicContact CD2-CG1 4.3Å; L377-V448 HydrophobicContact CD2-CG2 4.21Å; V402-V448 HydrophobicContact CB-CG1 3.74Å; V402-V448 HydrophobicContact CG1-CG1 3.85Å; V402-V448 HydrophobicContact CG2-CG1 4.1Å; A403-V448 WeakPolarHBondContact O-CA 3.35Å; L435-V448 WeakPolarHBondContact CD1-O 3.36Å; Y436-V448 HydrophobicContact CD2-CG1 4.39Å; Y436-V448 PolarHBondContact N-O 2.86Å; G437-V448 PolarHBondContact N-O 3.21Å; G437-V448 PolarHBondContact O-N 2.91Å |
| 449 | T | 88.9 | Confident | 87 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 14% | 0.135 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 167.9 | -175.3 | 48.7 | 0 | 0 | 0 | 0 | 110.9 | A403 V433 Q434 L435 I447 | A403-T449 PolarHBondContact N-O 3.3Å; A403-T449 PolarHBondContact O-N 2.78Å; A403-T449 PolarHBondContact O-OG1 3.44Å; V433-T449 HydrophobicContact CG1-CG2 4.16Å; Q434-T449 VanDerWaalsContact O-CA 3.27Å; Q434-T449 WeakPolarHBondContact O-CA 3.45Å; Q434-T449 WeakPolarHBondContact O-CB 3.35Å; L435-T449 HydrophobicContact CD1-CG2 3.98Å; I447-T449 HydrophobicContact CG2-CG2 4.1Å |
| 450 | E | 86.1 | Confident | 87.4 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 142.3 | 168.6 | 61.7 | 173.8 | 130.8 | 0 | 0 | 112 | V433 Q434 Y436 L452 K512 | V433-E450 HydrophobicContact CG1-CG 3.81Å; Q434-E450 HydrophobicContact CB-CG 4.2Å; Q434-E450 WeakPolarHBondContact CB-OE1 3.39Å; Q434-E450 PolarHBondContact N-OE1 3.4Å; Q434-E450 PolarHBondContact O-N 3.48Å; Q434-E450 VanDerWaalsContact O-N 3.08Å; Y436-E450 HydrophobicContact CE1-CB 4.34Å; Y436-E450 VanDerWaalsContact CE2-CA 3.48Å; Y436-E450 HydrophobicContact CE2-CB 4.07Å; Y436-E450 WeakPolarHBondContact OH-CB 3.36Å; E450-L452 HydrophobicContact CB-CD1 4.29Å; E450-L452 HydrophobicContact CG-CD1 3.5Å; E450-L452 VanDerWaalsContact CG-CD1 3.5Å; E450-K512 VanDerWaalsContact CD-NZ 3.25Å; E450-K512 IonicContact OE1-NZ 3.55Å; E450-K512 PolarHBondContact OE1-NZ 3.02Å; E450-K512 IonicContact OE2-NZ 2.92Å; E450-K512 PolarHBondContact OE2-NZ 2.99Å |
| 451 | F | 90.2 | Very high | 88 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | trans | -91.7 | 120.6 | 176.4 | 173.5 | -113.9 | 0 | 0 | 0 | 110.9 | L383 Y393 D401 | L383-F451 HydrophobicContact CD1-CD2 3.98Å; L383-F451 HydrophobicContact CD1-CE2 3.73Å; L383-F451 HydrophobicContact CD2-CE2 4.04Å; Y393-F451 AromaticContact CD2-CD1 3.89Å; Y393-F451 HydrophobicContact CD2-CD1 3.89Å; Y393-F451 AromaticContact CD2-CD2 3.82Å; Y393-F451 HydrophobicContact CD2-CD2 3.82Å; Y393-F451 AromaticContact CD2-CE1 3.96Å; Y393-F451 HydrophobicContact CD2-CE1 3.96Å; Y393-F451 AromaticContact CD2-CE2 3.91Å; Y393-F451 HydrophobicContact CD2-CE2 3.91Å; Y393-F451 AromaticContact CD2-CG 3.81Å; Y393-F451 HydrophobicContact CD2-CG 3.81Å; Y393-F451 AromaticContact CD2-CZ 3.98Å; Y393-F451 HydrophobicContact CD2-CZ 3.98Å; Y393-F451 AromaticContact CE2-CD1 3.88Å; Y393-F451 HydrophobicContact CE2-CD1 3.88Å; Y393-F451 HydrophobicContact CE2-CE1 4.02Å; Y393-F451 HydrophobicContact CE2-CG 4.19Å; Y393-F451 HydrophobicContact CE2-CZ 4.45Å; Y393-F451 HydrophobicContact CG-CE2 4.38Å; Y393-F451 HydrophobicContact CG-CZ 4.47Å; D401-F451 HydrophobicContact CB-CB 4.27Å; D401-F451 HydrophobicContact CB-CD1 4.19Å | ||
| 452 | L | 90.7 | Very high | 88.9 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | trans | -104.8 | 112.1 | 175.8 | -83.3 | 75.5 | 0 | 0 | 0 | 110 | V433 E450 N454 G455 L504 V505 D506 K512 | V433-L452 HydrophobicContact CG2-CD1 4.45Å; E450-L452 HydrophobicContact CB-CD1 4.29Å; E450-L452 HydrophobicContact CG-CD1 3.5Å; E450-L452 VanDerWaalsContact CG-CD1 3.5Å; L452-N454 PolarHBondContact O-N 3.18Å; L452-G455 PolarHBondContact O-N 3.34Å; L452-L504 HydrophobicContact CB-CB 3.99Å; L452-L504 HydrophobicContact CB-CD1 4.23Å; L452-L504 HydrophobicContact CD2-CB 3.47Å; L452-L504 VanDerWaalsContact CD2-CB 3.47Å; L452-L504 HydrophobicContact CG-CB 4.25Å; L452-V505 WeakPolarHBondContact CB-O 3.32Å; L452-D506 HydrophobicContact CD2-CB 4.09Å; L452-D506 HydrophobicContact CG-CB 4.31Å; L452-K512 HydrophobicContact CD2-CB 4.07Å; L452-K512 HydrophobicContact CD2-CD 4.02Å; L452-K512 HydrophobicContact CD2-CG 4.05Å | ||
| 453 | S | 87.5 | Confident | 89.6 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 44% | 0.441 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23.8 | -167.4 | 58 | 0 | 0 | 0 | 0 | 114.7 | G455 T507 | S453-G455 VanDerWaalsContact C-N 3.25Å; S453-G455 PolarHBondContact O-N 3.08Å; S453-T507 WeakPolarHBondContact OG-CG2 3.45Å |
| 454 | N | 90.8 | Very high | 89.7 | Confident | 67 Ų | 67 | 41.4 Ų | 41.4 | 36% | 0.358 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.4 | 178.1 | -72.6 | -36.5 | 0 | 0 | 0 | 113.3 | L452 Y460 V505 D506 | L452-N454 PolarHBondContact O-N 3.18Å; N454-Y460 HydrophobicContact CB-CD2 3.97Å; N454-Y460 HydrophobicContact CB-CE2 4.11Å; N454-V505 HydrophobicContact CB-CB 3.8Å; N454-V505 HydrophobicContact CB-CG1 4.03Å; N454-V505 WeakPolarHBondContact CB-O 3.47Å; N454-D506 PolarHBondContact ND2-O 3.45Å |
| 455 | G | 92.4 | Very high | 89.8 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | trans | 70.7 | -156.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L452 S453 L504 V505 | L452-G455 PolarHBondContact O-N 3.34Å; S453-G455 VanDerWaalsContact C-N 3.25Å; S453-G455 PolarHBondContact O-N 3.08Å; G455-L504 CarbonylContact O-C 3.4Å; G455-L504 WeakPolarHBondContact O-CA 3.16Å; G455-V505 PolarHBondContact O-N 2.9Å | ||
| 456 | C | 94.3 | Very high | 89.4 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 149.1 | -178.6 | 70.6 | 0 | 0 | 0 | 0 | 112.7 | L458 S459 Y460 R501 C503 L504 | C456-L458 PolarHBondContact O-N 3.39Å; C456-S459 PolarHBondContact O-N 3.44Å; C456-S459 VanDerWaalsContact O-N 3.11Å; C456-Y460 WeakPolarHBondContact O-CB 3.23Å; C456-Y460 PolarHBondContact O-N 2.9Å; C456-R501 WeakPolarHBondContact CB-O 3.29Å; C456-C503 CarbonylContact C-O 3.58Å; C456-C503 WeakPolarHBondContact CA-O 3.49Å; C456-C503 WeakPolarHBondContact CB-O 3.4Å; C456-L504 HydrophobicContact CB-CD2 3.91Å |
| 457 | L | 96.8 | Very high | 89 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.6 | -36.6 | -177.9 | 174.9 | 61.4 | 0 | 0 | 0 | 111.8 | S459 Y460 L461 M477 A500 C503 V505 I511 V566 | L457-S459 PolarHBondContact O-N 2.94Å; L457-Y460 HydrophobicContact CD1-CD1 4.47Å; L457-Y460 PolarHBondContact O-N 2.79Å; L457-L461 HydrophobicContact CD1-CD1 4Å; L457-L461 HydrophobicContact CD1-CD2 4.26Å; L457-L461 HydrophobicContact CD1-CG 3.81Å; L457-L461 HydrophobicContact CG-CD1 3.9Å; L457-L461 HydrophobicContact CG-CG 4.22Å; L457-L461 WeakPolarHBondContact O-CB 3.27Å; L457-L461 WeakPolarHBondContact O-CD1 3.49Å; L457-L461 WeakPolarHBondContact O-CG 3.35Å; L457-L461 PolarHBondContact O-N 2.79Å; L457-M477 HydrophobicContact CD1-SD 3.95Å; L457-A500 WeakPolarHBondContact CB-O 3.37Å; L457-A500 HydrophobicContact CD2-CB 4.41Å; L457-A500 HydrophobicContact CG-CB 4.36Å; L457-A500 PolarHBondContact N-O 2.93Å; L457-C503 HydrophobicContact CB-CB 3.87Å; L457-C503 HydrophobicContact CD2-CB 4.06Å; L457-C503 PolarHBondContact N-O 2.75Å; L457-V505 HydrophobicContact CB-CG2 4.19Å; L457-V505 HydrophobicContact CD1-CG2 4.29Å; L457-I511 HydrophobicContact CD1-CD1 3.85Å; L457-I511 HydrophobicContact CD2-CG2 4.17Å; L457-V566 HydrophobicContact CD2-CG2 3.96Å |
| 458 | L | 95.8 | Very high | 88.9 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 175.9 | -179.7 | 62.1 | 0 | 0 | 0 | 112.7 | C456 R462 A500 R501 | C456-L458 PolarHBondContact O-N 3.39Å; L458-R462 WeakPolarHBondContact O-CG 3.15Å; L458-R462 PolarHBondContact O-N 3.35Å; L458-A500 HydrophobicContact CB-CB 4.09Å; L458-A500 PolarHBondContact N-O 3.07Å; L458-A500 VanDerWaalsContact N-O 3.1Å; L458-R501 HydrophobicContact CB-CB 4.48Å; L458-R501 HydrophobicContact CD2-CB 4.2Å |
| 459 | S | 93.9 | Very high | 88.9 | Confident | 56 Ų | 56 | 66 Ų | 66 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.4 | -36.5 | 177.7 | -62.8 | 0 | 0 | 0 | 0 | 111 | C456 L457 L461 R462 E463 | C456-S459 PolarHBondContact O-N 3.44Å; C456-S459 VanDerWaalsContact O-N 3.11Å; L457-S459 PolarHBondContact O-N 2.94Å; S459-L461 PolarHBondContact O-N 3.08Å; S459-R462 PolarHBondContact O-N 3.47Å; S459-E463 PolarHBondContact O-N 3Å |
| 460 | Y | 94.9 | Very high | 89 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -60.4 | -44.4 | 176.7 | -173.2 | -100.9 | 0 | 0 | 0 | 112.5 | N454 C456 L457 R462 G464 L465 M477 V505 | N454-Y460 HydrophobicContact CB-CD2 3.97Å; N454-Y460 HydrophobicContact CB-CE2 4.11Å; C456-Y460 WeakPolarHBondContact O-CB 3.23Å; C456-Y460 PolarHBondContact O-N 2.9Å; L457-Y460 HydrophobicContact CD1-CD1 4.47Å; L457-Y460 PolarHBondContact O-N 2.79Å; Y460-R462 VanDerWaalsContact C-N 3.31Å; Y460-R462 PolarHBondContact O-N 3.09Å; Y460-G464 CarbonylContact O-C 3.58Å; Y460-G464 VanDerWaalsContact O-CA 3.26Å; Y460-G464 WeakPolarHBondContact O-CA 3.32Å; Y460-G464 PolarHBondContact O-N 2.98Å; Y460-L465 HydrophobicContact CD1-CD2 4.25Å; Y460-L465 HydrophobicContact CD1-CG 4.37Å; Y460-L465 HydrophobicContact CE1-CD2 3.53Å; Y460-L465 HydrophobicContact CE1-CG 4.1Å; Y460-L465 PolarHBondContact O-N 3.03Å; Y460-L465 VanDerWaalsContact O-N 3.14Å; Y460-M477 HydrophobicContact CE1-CE 4.12Å; Y460-V505 HydrophobicContact CD1-CG1 4.23Å; Y460-V505 HydrophobicContact CD1-CG2 3.98Å; Y460-V505 HydrophobicContact CD2-CB 4.32Å; Y460-V505 HydrophobicContact CD2-CG1 4.15Å; Y460-V505 HydrophobicContact CD2-CG2 4.28Å; Y460-V505 HydrophobicContact CE1-CG1 4.15Å; Y460-V505 HydrophobicContact CE2-CG1 4.07Å; Y460-V505 HydrophobicContact CG-CB 4.27Å; Y460-V505 HydrophobicContact CG-CG1 4.23Å; Y460-V505 HydrophobicContact CG-CG2 3.75Å |
| 461 | L | 95.2 | Very high | 89.3 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -63.2 | -35.7 | 176.7 | -73 | 164.7 | 0 | 0 | 0 | 112.9 | L457 S459 L465 L474 M477 V566 L569 | L457-L461 HydrophobicContact CD1-CD1 4Å; L457-L461 HydrophobicContact CD1-CD2 4.26Å; L457-L461 HydrophobicContact CD1-CG 3.81Å; L457-L461 HydrophobicContact CG-CD1 3.9Å; L457-L461 HydrophobicContact CG-CG 4.22Å; L457-L461 WeakPolarHBondContact O-CB 3.27Å; L457-L461 WeakPolarHBondContact O-CD1 3.49Å; L457-L461 WeakPolarHBondContact O-CG 3.35Å; L457-L461 PolarHBondContact O-N 2.79Å; S459-L461 PolarHBondContact O-N 3.08Å; L461-L465 HydrophobicContact CD2-CD1 4.28Å; L461-L474 HydrophobicContact CD2-CD2 4.11Å; L461-M477 HydrophobicContact CD2-SD 4.11Å; L461-V566 HydrophobicContact CD1-CB 4.49Å; L461-V566 HydrophobicContact CD1-CG2 4.2Å; L461-V566 HydrophobicContact CD2-CG1 4.47Å; L461-L569 HydrophobicContact CD2-CD2 4.45Å |
| 462 | R | 93.5 | Very high | 89.3 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | I | π-helix | trans | -82.2 | -39.4 | -177 | -71.2 | 177.4 | 175.3 | -176.9 | 0.3 | 113.2 | L458 S459 Y460 G570 | L458-R462 WeakPolarHBondContact O-CG 3.15Å; L458-R462 PolarHBondContact O-N 3.35Å; S459-R462 PolarHBondContact O-N 3.47Å; Y460-R462 VanDerWaalsContact C-N 3.31Å; Y460-R462 PolarHBondContact O-N 3.09Å; R462-G570 PolarHBondContact NE-O 3.29Å; R462-G570 PolarHBondContact NH2-O 2.8Å |
| 463 | E | 89.1 | Confident | 89.3 | Confident | 160 Ų | 160 | 70.6 Ų | 70.6 | 75% | 0.748 | 37% | 0.369 | S | S | * | . | I | π-helix | trans | -131.2 | -25.3 | -164.3 | -63 | 169.6 | -160 | 0 | 0 | 113.4 | S459 | S459-E463 PolarHBondContact O-N 3Å |
| 464 | G | 78.8 | Confident | 89.8 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -85.9 | -23.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y460 K466 | Y460-G464 CarbonylContact O-C 3.58Å; Y460-G464 VanDerWaalsContact O-CA 3.26Å; Y460-G464 WeakPolarHBondContact O-CA 3.32Å; Y460-G464 PolarHBondContact O-N 2.98Å; G464-K466 PolarHBondContact O-N 2.56Å |
| 465 | L | 81.8 | Confident | 90 | Very high | 42 Ų | 42 | 64.4 Ų | 64.4 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | trans | -74.4 | 112.6 | -179.9 | -69.8 | 172.4 | 0 | 0 | 0 | 111.3 | Y460 L461 Q467 P469 M477 | Y460-L465 HydrophobicContact CD1-CD2 4.25Å; Y460-L465 HydrophobicContact CD1-CG 4.37Å; Y460-L465 HydrophobicContact CE1-CD2 3.53Å; Y460-L465 HydrophobicContact CE1-CG 4.1Å; Y460-L465 PolarHBondContact O-N 3.03Å; Y460-L465 VanDerWaalsContact O-N 3.14Å; L461-L465 HydrophobicContact CD2-CD1 4.28Å; L465-Q467 VanDerWaalsContact C-N 3.26Å; L465-Q467 PolarHBondContact O-N 2.78Å; L465-P469 HydrophobicContact CD1-CB 4Å; L465-P469 HydrophobicContact CD1-CG 3.69Å; L465-M477 HydrophobicContact CD2-CE 4.29Å | ||
| 466 | K | 74.7 | Confident | 90.1 | Very high | 210 Ų | 210 | 63.8 Ų | 63.8 | 91% | 0.913 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -69.9 | -21.9 | 179.2 | -65.2 | -178.3 | -178.9 | 175.6 | 0 | 113.8 | G464 | G464-K466 PolarHBondContact O-N 2.56Š|
| 467 | Q | 79.8 | Confident | 90.3 | Very high | 168 Ų | 168 | 63.2 Ų | 63.2 | 79% | 0.785 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -137.8 | 160 | -179.8 | -64.3 | -178 | 7.7 | 0 | 0 | 108.9 | L465 | L465-Q467 VanDerWaalsContact C-N 3.26Å; L465-Q467 PolarHBondContact O-N 2.78Å |
| 468 | H | 83.4 | Confident | 90.3 | Very high | 180 Ų | 180 | 63.2 Ų | 63.2 | 83% | 0.833 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 123.2 | 173.1 | -77.7 | -66.4 | 0 | 0 | 0 | 110 | ||
| 469 | P | 89 | Confident | 90.4 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 8% | 0.078 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -70 | 142 | -177.6 | 30.8 | -35.9 | 0 | 0 | 0 | 109.8 | L465 L474 L569 | L465-P469 HydrophobicContact CD1-CB 4Å; L465-P469 HydrophobicContact CD1-CG 3.69Å; P469-L474 HydrophobicContact CB-CD2 3.87Å; P469-L474 HydrophobicContact CB-CG 4.14Å; P469-L474 HydrophobicContact CG-CD1 4.37Å; P469-L474 HydrophobicContact CG-CD2 3.8Å; P469-L474 HydrophobicContact CG-CG 4.2Å; P469-L569 HydrophobicContact CG-CD2 3.62Å |
| 470 | S | 91 | Very high | 90.4 | Very high | 45 Ų | 45 | 61 Ų | 61 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 153.5 | 170.8 | 79.1 | 0 | 0 | 0 | 0 | 110.3 | I472 Q473 L474 | S470-I472 PolarHBondContact O-N 3Å; S470-I472 VanDerWaalsContact O-N 3.17Å; S470-I472 PolarHBondContact OG-N 3.01Å; S470-Q473 WeakPolarHBondContact O-CB 3.32Å; S470-Q473 PolarHBondContact O-N 2.9Å; S470-Q473 VanDerWaalsContact O-N 3.08Å; S470-Q473 WeakPolarHBondContact OG-CG 3.46Å; S470-Q473 PolarHBondContact OG-N 2.93Å; S470-Q473 VanDerWaalsContact OG-N 3.12Å; S470-L474 PolarHBondContact O-N 3.49Å; S470-L474 VanDerWaalsContact O-N 3.12Å |
| 471 | P | 90.9 | Very high | 90.6 | Very high | 63 Ų | 63 | 59.3 Ų | 59.3 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.7 | -31.3 | 173.1 | -27.1 | 35.7 | 0 | 0 | 0 | 113.4 | L474 L475 Y567 | P471-L474 PolarHBondContact O-N 3.4Å; P471-L475 PolarHBondContact O-N 3.36Å; P471-Y567 PolarHBondContact O-OH 2.91Å |
| 472 | I | 91.5 | Very high | 90.7 | Very high | 49 Ų | 49 | 59 Ų | 59 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 176.6 | -60.4 | 173.5 | 0 | 0 | 0 | 110.3 | S470 L474 L475 E476 L631 L634 Q635 | S470-I472 PolarHBondContact O-N 3Å; S470-I472 VanDerWaalsContact O-N 3.17Å; S470-I472 PolarHBondContact OG-N 3.01Å; I472-L474 VanDerWaalsContact C-N 3.27Å; I472-L474 PolarHBondContact O-N 3.21Å; I472-L475 PolarHBondContact O-N 2.93Å; I472-L475 VanDerWaalsContact O-N 3.08Å; I472-E476 WeakPolarHBondContact O-CG 3.37Å; I472-E476 PolarHBondContact O-N 3.24Å; I472-L631 HydrophobicContact CG2-CD2 4.04Å; I472-L634 HydrophobicContact CD1-CB 4.35Å; I472-L634 VanDerWaalsContact CD1-O 3.26Å; I472-L634 WeakPolarHBondContact CD1-O 3.41Å; I472-L634 HydrophobicContact CG1-CB 4.17Å; I472-Q635 HydrophobicContact CG2-CG 4.18Å |
| 473 | Q | 91.2 | Very high | 90.7 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 176.3 | -74.3 | 171.6 | -29.1 | 0 | 0 | 112.1 | S470 E476 M477 | S470-Q473 WeakPolarHBondContact O-CB 3.32Å; S470-Q473 PolarHBondContact O-N 2.9Å; S470-Q473 VanDerWaalsContact O-N 3.08Å; S470-Q473 WeakPolarHBondContact OG-CG 3.46Å; S470-Q473 PolarHBondContact OG-N 2.93Å; S470-Q473 VanDerWaalsContact OG-N 3.12Å; Q473-E476 PolarHBondContact O-N 2.88Å; Q473-M477 WeakPolarHBondContact O-CG 3.43Å; Q473-M477 PolarHBondContact O-N 3.49Å; Q473-M477 VanDerWaalsContact O-N 3.1Å |
| 474 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 174.8 | -64.6 | 179.3 | 0 | 0 | 0 | 111.7 | L461 P469 S470 P471 I472 M477 C478 V566 Y567 L569 L597 | L461-L474 HydrophobicContact CD2-CD2 4.11Å; P469-L474 HydrophobicContact CB-CD2 3.87Å; P469-L474 HydrophobicContact CB-CG 4.14Å; P469-L474 HydrophobicContact CG-CD1 4.37Å; P469-L474 HydrophobicContact CG-CD2 3.8Å; P469-L474 HydrophobicContact CG-CG 4.2Å; S470-L474 PolarHBondContact O-N 3.49Å; S470-L474 VanDerWaalsContact O-N 3.12Å; P471-L474 PolarHBondContact O-N 3.4Å; I472-L474 VanDerWaalsContact C-N 3.27Å; I472-L474 PolarHBondContact O-N 3.21Å; L474-M477 HydrophobicContact CD2-SD 4.34Å; L474-M477 PolarHBondContact O-N 2.81Å; L474-C478 PolarHBondContact O-N 3.04Å; L474-C478 VanDerWaalsContact O-N 3.17Å; L474-C478 PolarHBondContact O-SG 3.43Å; L474-C478 VanDerWaalsContact O-SG 3.36Å; L474-V566 HydrophobicContact CB-CG1 3.88Å; L474-V566 HydrophobicContact CD2-CG1 3.79Å; L474-V566 HydrophobicContact CG-CG1 4.37Å; L474-Y567 HydrophobicContact CB-CE1 4.19Å; L474-Y567 HydrophobicContact CB-CE2 4.17Å; L474-Y567 HydrophobicContact CD1-CD1 4.13Å; L474-Y567 HydrophobicContact CD1-CE1 4.37Å; L474-L569 HydrophobicContact CD1-CD2 4.24Å; L474-L569 HydrophobicContact CD2-CD2 4.03Å; L474-L597 HydrophobicContact CD1-CB 4.27Å; L474-L597 HydrophobicContact CD1-CD1 3.86Å |
| 475 | L | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.3 | -34.5 | 175.6 | -166.1 | 59.7 | 0 | 0 | 0 | 112.3 | P471 I472 C478 K479 M563 Y567 V602 V627 L630 L631 L634 | P471-L475 PolarHBondContact O-N 3.36Å; I472-L475 PolarHBondContact O-N 2.93Å; I472-L475 VanDerWaalsContact O-N 3.08Å; L475-C478 WeakPolarHBondContact O-CB 3.42Å; L475-C478 PolarHBondContact O-N 3.37Å; L475-K479 PolarHBondContact O-N 3.39Å; L475-M563 HydrophobicContact CD1-CE 4.29Å; L475-Y567 WeakPolarHBondContact CB-OH 2.74Å; L475-V602 HydrophobicContact CD1-CG2 4.35Å; L475-V627 HydrophobicContact CD1-CG1 3.92Å; L475-V627 HydrophobicContact CG-CG1 4.14Å; L475-L630 HydrophobicContact CD2-CB 4.22Å; L475-L630 HydrophobicContact CD2-CD2 3.84Å; L475-L630 HydrophobicContact CD2-CG 3.73Å; L475-L631 HydrophobicContact CB-CD2 3.72Å; L475-L631 HydrophobicContact CB-CG 4.25Å; L475-L631 HydrophobicContact CD2-CB 4.49Å; L475-L631 HydrophobicContact CD2-CD2 3.76Å; L475-L631 HydrophobicContact CD2-CG 3.65Å; L475-L631 HydrophobicContact CG-CD1 4.35Å; L475-L631 HydrophobicContact CG-CD2 3.76Å; L475-L631 HydrophobicContact CG-CG 3.71Å; L475-L634 HydrophobicContact CD2-CD1 4Å |
| 476 | E | 94.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 172.6 | -71.4 | 172.7 | 157.9 | 0 | 0 | 111.3 | S265 I472 Q473 C478 K479 D480 L631 Q635 | S265-E476 WeakPolarHBondContact CB-OE1 3.27Å; S265-E476 WeakPolarHBondContact CB-OE2 3.25Å; S265-E476 PolarHBondContact OG-OE2 3.08Å; I472-E476 WeakPolarHBondContact O-CG 3.37Å; I472-E476 PolarHBondContact O-N 3.24Å; Q473-E476 PolarHBondContact O-N 2.88Å; E476-C478 VanDerWaalsContact C-N 3.28Å; E476-C478 PolarHBondContact O-N 3.3Å; E476-K479 WeakPolarHBondContact O-CB 3.34Å; E476-K479 PolarHBondContact O-N 3.16Å; E476-K479 VanDerWaalsContact O-N 3.16Å; E476-D480 PolarHBondContact O-N 3.13Å; E476-D480 VanDerWaalsContact O-N 3.08Å; E476-L631 HydrophobicContact CG-CD1 4.34Å; E476-L631 HydrophobicContact CG-CD2 3.76Å; E476-Q635 PolarHBondContact OE1-NE2 2.85Å |
| 477 | M | 96.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -39 | 173.3 | -65.5 | 174.5 | -168 | 0 | 0 | 112.1 | L457 Y460 L461 L465 Q473 L474 V481 I511 V566 | L457-M477 HydrophobicContact CD1-SD 3.95Å; Y460-M477 HydrophobicContact CE1-CE 4.12Å; L461-M477 HydrophobicContact CD2-SD 4.11Å; L465-M477 HydrophobicContact CD2-CE 4.29Å; Q473-M477 WeakPolarHBondContact O-CG 3.43Å; Q473-M477 PolarHBondContact O-N 3.49Å; Q473-M477 VanDerWaalsContact O-N 3.1Å; L474-M477 HydrophobicContact CD2-SD 4.34Å; L474-M477 PolarHBondContact O-N 2.81Å; M477-V481 WeakPolarHBondContact O-CG2 3.21Å; M477-V481 PolarHBondContact O-N 2.8Å; M477-I511 HydrophobicContact CB-CD1 4.43Å; M477-I511 HydrophobicContact CB-CG1 3.82Å; M477-I511 HydrophobicContact CG-CD1 4.09Å; M477-I511 HydrophobicContact CG-CG1 3.93Å; M477-V566 HydrophobicContact CB-CG1 4.48Å |
| 478 | C | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.4 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | L474 L475 E476 V481 T482 Y559 M563 | L474-C478 PolarHBondContact O-N 3.04Å; L474-C478 VanDerWaalsContact O-N 3.17Å; L474-C478 PolarHBondContact O-SG 3.43Å; L474-C478 VanDerWaalsContact O-SG 3.36Å; L475-C478 WeakPolarHBondContact O-CB 3.42Å; L475-C478 PolarHBondContact O-N 3.37Å; E476-C478 VanDerWaalsContact C-N 3.28Å; E476-C478 PolarHBondContact O-N 3.3Å; C478-V481 PolarHBondContact O-N 3.34Å; C478-T482 PolarHBondContact O-N 2.94Å; C478-T482 PolarHBondContact O-OG1 2.72Å; C478-Y559 PolarHBondContact O-OH 3.11Å; C478-M563 HydrophobicContact CB-CE 4.2Å; C478-M563 HydrophobicContact CB-CG 4.34Å |
| 479 | K | 96.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 21.2 Ų | 21.2 | 14% | 0.135 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.5 | -54.1 | 175.7 | 176 | -163.6 | 168.4 | -80.5 | 0 | 110.7 | L475 E476 V481 T482 E483 V627 Q628 L631 | L475-K479 PolarHBondContact O-N 3.39Å; E476-K479 WeakPolarHBondContact O-CB 3.34Å; E476-K479 PolarHBondContact O-N 3.16Å; E476-K479 VanDerWaalsContact O-N 3.16Å; K479-V481 VanDerWaalsContact C-N 3.29Å; K479-V481 PolarHBondContact O-N 3.27Å; K479-T482 WeakPolarHBondContact O-CA 3.25Å; K479-T482 WeakPolarHBondContact O-CB 3.31Å; K479-T482 PolarHBondContact O-N 3.45Å; K479-E483 WeakPolarHBondContact CE-OE1 3.21Å; K479-E483 HydrophobicContact CG-CG 4.45Å; K479-E483 IonicContact NZ-OE1 3.1Å; K479-E483 PolarHBondContact NZ-OE1 3.17Å; K479-E483 IonicContact NZ-OE2 3.82Å; K479-E483 PolarHBondContact NZ-OE2 2.88Å; K479-E483 PolarHBondContact O-N 2.83Å; K479-V627 HydrophobicContact CB-CG1 3.81Å; K479-Q628 VanDerWaalsContact CD-OE1 3.24Å; K479-L631 HydrophobicContact CB-CD1 3.72Å; K479-L631 HydrophobicContact CD-CD1 3.64Å; K479-L631 HydrophobicContact CG-CD1 4.09Å |
| 480 | D | 94.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.1 | -47.5 | -179.7 | -74 | -0.3 | 0 | 0 | 0 | 111.7 | N431 E476 T482 E483 G484 T510 I511 | N431-D480 WeakPolarHBondContact CB-O 3.41Å; N431-D480 VanDerWaalsContact CG-O 3.24Å; N431-D480 VanDerWaalsContact ND2-CB 3.31Å; N431-D480 WeakPolarHBondContact ND2-CB 3.36Å; E476-D480 PolarHBondContact O-N 3.13Å; E476-D480 VanDerWaalsContact O-N 3.08Å; D480-T482 VanDerWaalsContact C-N 3.32Å; D480-T482 PolarHBondContact O-N 3.3Å; D480-E483 PolarHBondContact O-N 3.16Å; D480-G484 PolarHBondContact O-N 3Å; D480-T510 WeakPolarHBondContact OD2-CA 3.02Å; D480-I511 HydrophobicContact CB-CB 3.77Å; D480-I511 HydrophobicContact CB-CG1 4.29Å; D480-I511 PolarHBondContact OD2-N 3.5Å |
| 481 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | M477 C478 K479 G484 M485 L498 I511 V513 Y559 L562 | M477-V481 WeakPolarHBondContact O-CG2 3.21Å; M477-V481 PolarHBondContact O-N 2.8Å; C478-V481 PolarHBondContact O-N 3.34Å; K479-V481 VanDerWaalsContact C-N 3.29Å; K479-V481 PolarHBondContact O-N 3.27Å; V481-G484 PolarHBondContact O-N 2.84Å; V481-M485 HydrophobicContact CG1-CG 4.33Å; V481-M485 WeakPolarHBondContact O-CB 3.4Å; V481-M485 VanDerWaalsContact O-CG 3.29Å; V481-M485 WeakPolarHBondContact O-CG 3.24Å; V481-M485 PolarHBondContact O-N 2.97Å; V481-L498 HydrophobicContact CG1-CD1 4.17Å; V481-I511 HydrophobicContact CG2-CB 4.24Å; V481-I511 HydrophobicContact CG2-CG2 3.52Å; V481-V513 HydrophobicContact CG1-CG2 4.06Å; V481-Y559 HydrophobicContact CB-CE2 4.39Å; V481-Y559 HydrophobicContact CG1-CD2 4.01Å; V481-Y559 HydrophobicContact CG1-CE2 4.17Å; V481-L562 HydrophobicContact CG1-CD1 3.95Å; V481-L562 HydrophobicContact CG1-CD2 4.23Å; V481-L562 HydrophobicContact CG2-CD2 4.3Å |
| 482 | T | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | -178.7 | -41.9 | 0 | 0 | 0 | 0 | 111.5 | C478 K479 D480 M485 A486 Y559 F620 L623 | C478-T482 PolarHBondContact O-N 2.94Å; C478-T482 PolarHBondContact O-OG1 2.72Å; K479-T482 WeakPolarHBondContact O-CA 3.25Å; K479-T482 WeakPolarHBondContact O-CB 3.31Å; K479-T482 PolarHBondContact O-N 3.45Å; D480-T482 VanDerWaalsContact C-N 3.32Å; D480-T482 PolarHBondContact O-N 3.3Å; T482-M485 PolarHBondContact O-N 3.26Å; T482-A486 VanDerWaalsContact O-CB 3.32Å; T482-A486 WeakPolarHBondContact O-CB 3.48Å; T482-A486 PolarHBondContact O-N 3.38Å; T482-Y559 HydrophobicContact CG2-CE2 4.49Å; T482-Y559 WeakPolarHBondContact OG1-CE2 3.35Å; T482-Y559 PolarHBondContact OG1-OH 2.09Å; T482-F620 HydrophobicContact CG2-CD1 4.19Å; T482-L623 HydrophobicContact CG2-CB 3.69Å |
| 483 | E | 94.4 | Very high | 93.4 | Very high | 47 Ų | 47 | 24.7 Ų | 24.7 | 22% | 0.22 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 177.6 | -69.6 | 173.6 | 147.8 | 0 | 0 | 111.3 | N431 K479 D480 M485 A486 Y487 | N431-E483 PolarHBondContact OD1-OE2 3.5Å; K479-E483 WeakPolarHBondContact CE-OE1 3.21Å; K479-E483 HydrophobicContact CG-CG 4.45Å; K479-E483 IonicContact NZ-OE1 3.1Å; K479-E483 PolarHBondContact NZ-OE1 3.17Å; K479-E483 IonicContact NZ-OE2 3.82Å; K479-E483 PolarHBondContact NZ-OE2 2.88Å; K479-E483 PolarHBondContact O-N 2.83Å; D480-E483 PolarHBondContact O-N 3.16Å; E483-M485 VanDerWaalsContact C-N 3.32Å; E483-M485 PolarHBondContact O-N 3.28Å; E483-A486 PolarHBondContact O-N 3.05Å; E483-Y487 PolarHBondContact O-N 3.43Å |
| 484 | G | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | D480 V481 L488 | D480-G484 PolarHBondContact O-N 3Å; V481-G484 PolarHBondContact O-N 2.84Å; G484-L488 PolarHBondContact O-N 3.35Å; G484-L488 VanDerWaalsContact O-N 3.14Å |
| 485 | M | 97.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -74.2 | -33.3 | 178.2 | -71.3 | -59.9 | -53.3 | 0 | 0 | 113.4 | V481 T482 E483 Y487 L488 E489 H495 L498 V513 D555 F620 | V481-M485 HydrophobicContact CG1-CG 4.33Å; V481-M485 WeakPolarHBondContact O-CB 3.4Å; V481-M485 VanDerWaalsContact O-CG 3.29Å; V481-M485 WeakPolarHBondContact O-CG 3.24Å; V481-M485 PolarHBondContact O-N 2.97Å; T482-M485 PolarHBondContact O-N 3.26Å; E483-M485 VanDerWaalsContact C-N 3.32Å; E483-M485 PolarHBondContact O-N 3.28Å; M485-Y487 VanDerWaalsContact C-N 3.31Å; M485-L488 PolarHBondContact O-N 3.38Å; M485-L488 HydrophobicContact SD-CD1 3.91Å; M485-E489 WeakPolarHBondContact O-CB 2.94Å; M485-E489 PolarHBondContact O-N 3.42Å; M485-H495 HydrophobicContact CE-CB 3.73Å; M485-H495 HydrophobicContact SD-CB 4.1Å; M485-L498 HydrophobicContact CE-CD2 4.13Å; M485-L498 HydrophobicContact CG-CD1 4.29Å; M485-L498 HydrophobicContact CG-CD2 3.87Å; M485-L498 HydrophobicContact SD-CD1 3.95Å; M485-L498 HydrophobicContact SD-CD2 3.97Å; M485-L498 HydrophobicContact SD-CG 4.47Å; M485-V513 HydrophobicContact CG-CG2 4.45Å; M485-V513 HydrophobicContact SD-CG1 4.25Å; M485-D555 HydrophobicContact CE-CB 3.81Å; M485-F620 HydrophobicContact CB-CD1 3.43Å; M485-F620 VanDerWaalsContact CB-CD1 3.43Å; M485-F620 HydrophobicContact CB-CD2 4Å; M485-F620 HydrophobicContact CB-CE1 3.38Å; M485-F620 HydrophobicContact CB-CE2 3.95Å; M485-F620 HydrophobicContact CB-CG 3.75Å; M485-F620 HydrophobicContact CB-CZ 3.65Å; M485-F620 HydrophobicContact CE-CD2 4.42Å; M485-F620 HydrophobicContact CE-CE1 4.46Å; M485-F620 HydrophobicContact CE-CE2 3.6Å; M485-F620 HydrophobicContact CE-CZ 3.63Å; M485-F620 HydrophobicContact CG-CD1 4.41Å; M485-F620 HydrophobicContact CG-CE1 3.89Å; M485-F620 HydrophobicContact CG-CZ 3.98Å |
| 486 | A | 95.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 7% | 0.066 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | T482 E483 E489 A490 F620 | T482-A486 VanDerWaalsContact O-CB 3.32Å; T482-A486 WeakPolarHBondContact O-CB 3.48Å; T482-A486 PolarHBondContact O-N 3.38Å; E483-A486 PolarHBondContact O-N 3.05Å; A486-E489 PolarHBondContact O-N 3.29Å; A486-A490 WeakPolarHBondContact O-CB 3.34Å; A486-A490 PolarHBondContact O-N 3.22Å; A486-F620 VanDerWaalsContact CA-CB 3.49Å; A486-F620 HydrophobicContact CB-CB 3.86Å |
| 487 | Y | 92.8 | Very high | 92.2 | Very high | 53 Ų | 53 | 25.5 Ų | 25.5 | 21% | 0.208 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 172 | 176.9 | -91.8 | 0 | 0 | 0 | 112 | L427 R428 H429 L432 E483 M485 E489 A490 Q491 | L427-Y487 HydrophobicContact CB-CE1 4.18Å; L427-Y487 HydrophobicContact CD2-CE1 4.04Å; R428-Y487 PolarHBondContact N-OH 2.87Å; R428-Y487 WeakPolarHBondContact O-CE2 3.47Å; R428-Y487 VanDerWaalsContact O-CZ 3.23Å; R428-Y487 PolarHBondContact O-OH 2.64Å; H429-Y487 HydrophobicContact CB-CD1 3.89Å; H429-Y487 HydrophobicContact CB-CD2 4.3Å; H429-Y487 HydrophobicContact CB-CE1 4.27Å; H429-Y487 HydrophobicContact CB-CG 3.88Å; H429-Y487 AromaticContact CD2-CD2 3.92Å; H429-Y487 AromaticContact CD2-CG 3.84Å; L432-Y487 HydrophobicContact CD1-CD1 3.53Å; L432-Y487 HydrophobicContact CD1-CE1 3.91Å; E483-Y487 PolarHBondContact O-N 3.43Å; M485-Y487 VanDerWaalsContact C-N 3.31Å; Y487-E489 PolarHBondContact O-N 2.93Å; Y487-A490 PolarHBondContact O-N 3.04Å; Y487-Q491 HydrophobicContact CD1-CG 4.25Å; Y487-Q491 HydrophobicContact CE1-CG 3.84Å; Y487-Q491 HydrophobicContact CE2-CG 4.19Å; Y487-Q491 WeakPolarHBondContact O-CG 3.47Å; Y487-Q491 PolarHBondContact O-N 3.06Å |
| 488 | L | 90.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.8 | -70.5 | -179.7 | 0 | 0 | 0 | 112.4 | L427 L432 G484 M485 A490 Q491 Q492 Y493 F516 | L427-L488 HydrophobicContact CD1-CD2 3.89Å; L432-L488 HydrophobicContact CD1-CD2 3.66Å; L432-L488 HydrophobicContact CD1-CG 3.93Å; L432-L488 HydrophobicContact CD2-CD1 4Å; L432-L488 HydrophobicContact CD2-CD2 4.5Å; L432-L488 HydrophobicContact CD2-CG 4.09Å; G484-L488 PolarHBondContact O-N 3.35Å; G484-L488 VanDerWaalsContact O-N 3.14Å; M485-L488 PolarHBondContact O-N 3.38Å; M485-L488 HydrophobicContact SD-CD1 3.91Å; L488-A490 PolarHBondContact O-N 2.81Å; L488-Q491 CarbonylContact O-C 3.46Å; L488-Q491 PolarHBondContact O-N 3.44Å; L488-Q491 VanDerWaalsContact O-N 3.17Å; L488-Q492 PolarHBondContact O-N 3.22Å; L488-Q492 VanDerWaalsContact O-N 3.16Å; L488-Y493 PolarHBondContact O-N 3.31Å; L488-F516 HydrophobicContact CD1-CB 4.1Å; L488-F516 HydrophobicContact CD1-CG 4.41Å; L488-F516 HydrophobicContact CD2-CD2 4.34Å |
| 489 | E | 92.6 | Very high | 92 | Very high | 31 Ų | 31 | 24.8 Ų | 24.8 | 15% | 0.145 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 175.7 | -175.3 | 179.6 | -115.8 | 0 | 0 | 110.9 | M485 A486 Y487 Q491 Q492 F620 | M485-E489 WeakPolarHBondContact O-CB 2.94Å; M485-E489 PolarHBondContact O-N 3.42Å; A486-E489 PolarHBondContact O-N 3.29Å; Y487-E489 PolarHBondContact O-N 2.93Å; E489-Q491 VanDerWaalsContact C-N 3.27Å; E489-Q491 PolarHBondContact O-N 2.87Å; E489-Q492 PolarHBondContact O-N 2.98Å; E489-Q492 PolarHBondContact O-NE2 3.42Å; E489-Q492 VanDerWaalsContact O-NE2 3.13Å; E489-F620 HydrophobicContact CB-CB 4.44Å; E489-F620 HydrophobicContact CB-CD2 4.19Å; E489-F620 PolarHBondContact OE1-N 3.43Å; E489-F620 WeakPolarHBondContact OE2-CB 3.36Å; E489-F620 PolarHBondContact OE2-N 3.38Å |
| 490 | A | 89.8 | Confident | 92.1 | Very high | 68 Ų | 68 | 23.3 Ų | 23.3 | 56% | 0.562 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -61.3 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A486 Y487 L488 Q492 | A486-A490 WeakPolarHBondContact O-CB 3.34Å; A486-A490 PolarHBondContact O-N 3.22Å; Y487-A490 PolarHBondContact O-N 3.04Å; L488-A490 PolarHBondContact O-N 2.81Å; A490-Q492 PolarHBondContact O-N 2.92Å |
| 491 | Q | 84.6 | Confident | 92 | Very high | 86 Ų | 86 | 26.1 Ų | 26.1 | 40% | 0.402 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 5.5 | 175.3 | -60.6 | -54.5 | -58 | 0 | 0 | 113.8 | L427 Y487 L488 E489 Y493 | L427-Q491 HydrophobicContact CD2-CB 3.73Å; L427-Q491 HydrophobicContact CD2-CG 3.77Å; Y487-Q491 HydrophobicContact CD1-CG 4.25Å; Y487-Q491 HydrophobicContact CE1-CG 3.84Å; Y487-Q491 HydrophobicContact CE2-CG 4.19Å; Y487-Q491 WeakPolarHBondContact O-CG 3.47Å; Y487-Q491 PolarHBondContact O-N 3.06Å; L488-Q491 CarbonylContact O-C 3.46Å; L488-Q491 PolarHBondContact O-N 3.44Å; L488-Q491 VanDerWaalsContact O-N 3.17Å; E489-Q491 VanDerWaalsContact C-N 3.27Å; E489-Q491 PolarHBondContact O-N 2.87Å; Q491-Y493 VanDerWaalsContact C-N 3.32Å; Q491-Y493 HydrophobicContact CB-CD2 4.03Å; Q491-Y493 WeakPolarHBondContact O-CD2 3.48Å; Q491-Y493 PolarHBondContact O-N 3.02Å |
| 492 | Q | 83.3 | Confident | 91.8 | Very high | 74 Ų | 74 | 26.8 Ų | 26.8 | 35% | 0.346 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 38.9 | -179.3 | -54.8 | -62.4 | -59.3 | 0 | 0 | 113.2 | L488 E489 A490 Y521 V522 | L488-Q492 PolarHBondContact O-N 3.22Å; L488-Q492 VanDerWaalsContact O-N 3.16Å; E489-Q492 PolarHBondContact O-N 2.98Å; E489-Q492 PolarHBondContact O-NE2 3.42Å; E489-Q492 VanDerWaalsContact O-NE2 3.13Å; A490-Q492 PolarHBondContact O-N 2.92Å; Q492-Y521 HydrophobicContact CB-CE2 4.07Å; Q492-V522 PolarHBondContact O-N 2.85Å |
| 493 | Y | 84.4 | Confident | 91.8 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 6% | 0.055 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.3 | 176.6 | -92.1 | -91.7 | 0 | 0 | 0 | 111.6 | V423 L427 L488 Q491 Y521 | V423-Y493 WeakPolarHBondContact CB-OH 3.36Å; V423-Y493 HydrophobicContact CG1-CE2 4.08Å; V423-Y493 WeakPolarHBondContact CG1-OH 3.31Å; L427-Y493 HydrophobicContact CD1-CD1 4.07Å; L427-Y493 HydrophobicContact CD1-CD2 3.93Å; L427-Y493 HydrophobicContact CD1-CE1 4.02Å; L427-Y493 HydrophobicContact CD1-CE2 3.88Å; L427-Y493 HydrophobicContact CD1-CG 4.02Å; L427-Y493 HydrophobicContact CD2-CD2 3.93Å; L427-Y493 HydrophobicContact CD2-CE2 3.93Å; L427-Y493 HydrophobicContact CG-CD2 4.5Å; L427-Y493 HydrophobicContact CG-CE2 4.27Å; L488-Y493 PolarHBondContact O-N 3.31Å; Q491-Y493 VanDerWaalsContact C-N 3.32Å; Q491-Y493 HydrophobicContact CB-CD2 4.03Å; Q491-Y493 WeakPolarHBondContact O-CD2 3.48Å; Q491-Y493 PolarHBondContact O-N 3.02Å; Y493-Y521 HydrophobicContact CD2-CD2 4.18Å; Y493-Y521 AromaticContact CE2-CD2 3.78Å; Y493-Y521 HydrophobicContact CE2-CD2 3.78Å |
| 494 | I | 86.8 | Confident | 91.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.2 | 173.7 | -51.7 | 167.8 | 0 | 0 | 0 | 108.8 | R496 S519 R520 V522 F550 D555 | I494-R496 HydrophobicContact CB-CG 4.2Å; I494-R496 HydrophobicContact CG2-CG 3.6Å; I494-S519 WeakPolarHBondContact O-CA 3.1Å; I494-S519 WeakPolarHBondContact O-CB 3.45Å; I494-S519 PolarHBondContact O-OG 3.31Å; I494-R520 PolarHBondContact N-O 3.26Å; I494-R520 PolarHBondContact O-N 3.23Å; I494-V522 HydrophobicContact CD1-CB 3.92Å; I494-V522 HydrophobicContact CD1-CG1 4.34Å; I494-V522 HydrophobicContact CD1-CG2 3.77Å; I494-F550 HydrophobicContact CG2-CB 4.42Å; I494-D555 WeakPolarHBondContact CA-OD2 3.5Å; I494-D555 VanDerWaalsContact CG2-OD2 3.26Å; I494-D555 WeakPolarHBondContact CG2-OD2 3.44Å |
| 495 | H | 90.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | trans | -66.4 | -48.1 | -177.5 | -169.5 | -73.7 | 0 | 0 | 0 | 112.8 | M485 D497 L498 V513 T514 S519 D555 | M485-H495 HydrophobicContact CE-CB 3.73Å; M485-H495 HydrophobicContact SD-CB 4.1Å; H495-D497 PolarHBondContact CE1-O 2.97Å; H495-D497 PolarHBondContact ND1-N 3.17Å; H495-D497 PolarHBondContact O-N 2.69Å; H495-D497 VanDerWaalsContact O-N 3.08Å; H495-L498 PolarHBondContact ND1-N 2.64Å; H495-V513 VanDerWaalsContact NE2-CG1 3.35Å; H495-V513 WeakPolarHBondContact NE2-CG1 3.44Å; H495-T514 PolarHBondContact NE2-O 2.89Å; H495-S519 WeakPolarHBondContact CA-OG 3.36Å; H495-D555 WeakPolarHBondContact CA-OD2 3.29Å; H495-D555 WeakPolarHBondContact CB-OD2 3.27Å; H495-D555 PolarHBondContact N-OD2 3.39Å | ||
| 496 | R | 87.5 | Confident | 91.3 | Very high | 52 Ų | 52 | 27.2 Ų | 27.2 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 70.7 | -15.9 | 175.1 | -53.2 | 169.6 | 59.3 | -149.3 | -5.4 | 117.2 | I494 F550 D555 | I494-R496 HydrophobicContact CB-CG 4.2Å; I494-R496 HydrophobicContact CG2-CG 3.6Å; R496-F550 HydrophobicContact CB-CD1 3.89Å; R496-F550 HydrophobicContact CB-CE1 4.13Å; R496-F550 HydrophobicContact CG-CB 4.24Å; R496-F550 HydrophobicContact CG-CD1 3.84Å; R496-F550 HydrophobicContact CG-CG 4.18Å; R496-D555 WeakPolarHBondContact CA-OD1 3.36Å; R496-D555 PolarHBondContact N-OD1 3.32Å |
| 497 | D | 89 | Confident | 90.6 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | trans | -136 | 40.2 | 175.9 | -166.4 | 23.3 | 0 | 0 | 0 | 112 | H495 A499 R501 N502 P536 | H495-D497 PolarHBondContact CE1-O 2.97Å; H495-D497 PolarHBondContact ND1-N 3.17Å; H495-D497 PolarHBondContact O-N 2.69Å; H495-D497 VanDerWaalsContact O-N 3.08Å; D497-A499 PolarHBondContact O-N 2.76Å; D497-R501 IonicContact OD1-CZ 2.65Å; D497-R501 IonicContact OD1-NH2 2.68Å; D497-R501 PolarHBondContact OD1-NH2 3.15Å; D497-N502 PolarHBondContact O-ND2 2.9Å; D497-N502 PolarHBondContact OD2-ND2 3.5Å; D497-P536 WeakPolarHBondContact OD1-CB 3.19Å; D497-P536 VanDerWaalsContact OD1-CG 3.24Å; D497-P536 WeakPolarHBondContact OD1-CG 3.47Å | ||
| 498 | L | 95.6 | Very high | 90 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -69.1 | 124.1 | 179.4 | -177.9 | 64.5 | 0 | 0 | 0 | 110 | V481 M485 H495 V513 A558 Y559 L562 F620 | V481-L498 HydrophobicContact CG1-CD1 4.17Å; M485-L498 HydrophobicContact CE-CD2 4.13Å; M485-L498 HydrophobicContact CG-CD1 4.29Å; M485-L498 HydrophobicContact CG-CD2 3.87Å; M485-L498 HydrophobicContact SD-CD1 3.95Å; M485-L498 HydrophobicContact SD-CD2 3.97Å; M485-L498 HydrophobicContact SD-CG 4.47Å; H495-L498 PolarHBondContact ND1-N 2.64Å; L498-V513 HydrophobicContact CD1-CG1 4.06Å; L498-A558 HydrophobicContact CB-CB 3.99Å; L498-Y559 HydrophobicContact CD2-CD2 4.49Å; L498-L562 HydrophobicContact CD1-CD1 3.9Å; L498-L562 HydrophobicContact CG-CD1 3.99Å; L498-F620 HydrophobicContact CD2-CZ 4.28Å | ||
| 499 | A | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -166.7 | 162.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | D497 R501 N502 C503 W539 | D497-A499 PolarHBondContact O-N 2.76Å; A499-R501 HydrophobicContact CB-CG 3.97Å; A499-R501 VanDerWaalsContact CB-NH1 3.33Å; A499-R501 PolarHBondContact O-N 2.85Å; A499-R501 VanDerWaalsContact O-N 3.1Å; A499-N502 CarbonylContact O-C 3.5Å; A499-N502 PolarHBondContact O-N 2.84Å; A499-C503 PolarHBondContact O-N 3.1Å; A499-W539 HydrophobicContact CB-CD2 4.22Å; A499-W539 HydrophobicContact CB-CG 4.22Å; A499-W539 HydrophobicContact CB-CZ2 4.39Å |
| 500 | A | 97.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -59.7 | -25.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L457 L458 N502 C503 E565 | L457-A500 WeakPolarHBondContact CB-O 3.37Å; L457-A500 HydrophobicContact CD2-CB 4.41Å; L457-A500 HydrophobicContact CG-CB 4.36Å; L457-A500 PolarHBondContact N-O 2.93Å; L458-A500 HydrophobicContact CB-CB 4.09Å; L458-A500 PolarHBondContact N-O 3.07Å; L458-A500 VanDerWaalsContact N-O 3.1Å; A500-N502 VanDerWaalsContact C-N 3.27Å; A500-N502 PolarHBondContact O-N 2.9Å; A500-C503 PolarHBondContact O-N 2.72Å; A500-E565 HydrophobicContact CB-CB 4.1Å; A500-E565 PolarHBondContact N-OE2 2.9Å |
| 501 | R | 94.1 | Very high | 89.6 | Confident | 71 Ų | 71 | 31.1 Ų | 31.1 | 27% | 0.268 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -68.7 | -23.3 | 173.8 | 64.3 | 173.7 | 174.7 | -74.6 | -7.8 | 113.9 | C456 L458 D497 A499 P536 | C456-R501 WeakPolarHBondContact CB-O 3.29Å; L458-R501 HydrophobicContact CB-CB 4.48Å; L458-R501 HydrophobicContact CD2-CB 4.2Å; D497-R501 IonicContact OD1-CZ 2.65Å; D497-R501 IonicContact OD1-NH2 2.68Å; D497-R501 PolarHBondContact OD1-NH2 3.15Å; A499-R501 HydrophobicContact CB-CG 3.97Å; A499-R501 VanDerWaalsContact CB-NH1 3.33Å; A499-R501 PolarHBondContact O-N 2.85Å; A499-R501 VanDerWaalsContact O-N 3.1Å; R501-P536 VanDerWaalsContact NH2-CB 3.31Å |
| 502 | N | 94.2 | Very high | 90.1 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -107.6 | 20.7 | -178.6 | -67.4 | -16.6 | 0 | 0 | 0 | 111.3 | D497 A499 A500 T514 | D497-N502 PolarHBondContact O-ND2 2.9Å; D497-N502 PolarHBondContact OD2-ND2 3.5Å; A499-N502 CarbonylContact O-C 3.5Å; A499-N502 PolarHBondContact O-N 2.84Å; A500-N502 VanDerWaalsContact C-N 3.27Å; A500-N502 PolarHBondContact O-N 2.9Å; N502-T514 WeakPolarHBondContact O-CG2 2.98Å; N502-T514 PolarHBondContact O-N 2.86Å |
| 503 | C | 96.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.5 | 164.6 | -64.4 | 0 | 0 | 0 | 0 | 107.5 | C456 L457 A499 A500 I511 K512 | C456-C503 CarbonylContact C-O 3.58Å; C456-C503 WeakPolarHBondContact CA-O 3.49Å; C456-C503 WeakPolarHBondContact CB-O 3.4Å; L457-C503 HydrophobicContact CB-CB 3.87Å; L457-C503 HydrophobicContact CD2-CB 4.06Å; L457-C503 PolarHBondContact N-O 2.75Å; A499-C503 PolarHBondContact O-N 3.1Å; A500-C503 PolarHBondContact O-N 2.72Å; C503-I511 HydrophobicContact CB-CG2 3.74Å; C503-K512 CarbonylContact C-O 3.54Å; C503-K512 WeakPolarHBondContact CA-O 3.36Å |
| 504 | L | 95.1 | Very high | 91 | Very high | 33 Ų | 33 | 25 Ų | 25 | 17% | 0.173 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 155.1 | 178.1 | -61.6 | -172.5 | 0 | 0 | 0 | 110.3 | V433 L452 G455 C456 I511 K512 T514 | V433-L504 HydrophobicContact CG2-CB 4.33Å; V433-L504 HydrophobicContact CG2-CD1 3.98Å; V433-L504 HydrophobicContact CG2-CG 4.33Å; L452-L504 HydrophobicContact CB-CB 3.99Å; L452-L504 HydrophobicContact CB-CD1 4.23Å; L452-L504 HydrophobicContact CD2-CB 3.47Å; L452-L504 VanDerWaalsContact CD2-CB 3.47Å; L452-L504 HydrophobicContact CG-CB 4.25Å; G455-L504 CarbonylContact O-C 3.4Å; G455-L504 WeakPolarHBondContact O-CA 3.16Å; C456-L504 HydrophobicContact CB-CD2 3.91Å; L504-I511 WeakPolarHBondContact O-CA 3.27Å; L504-K512 PolarHBondContact N-O 3.14Å; L504-K512 PolarHBondContact O-N 2.95Å; L504-T514 HydrophobicContact CD1-CG2 4.15Å; L504-T514 HydrophobicContact CD2-CG2 4.2Å; L504-T514 HydrophobicContact CG-CG2 3.74Å |
| 505 | V | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125 | -178.3 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | L452 N454 G455 L457 Y460 I511 | L452-V505 WeakPolarHBondContact CB-O 3.32Å; N454-V505 HydrophobicContact CB-CB 3.8Å; N454-V505 HydrophobicContact CB-CG1 4.03Å; N454-V505 WeakPolarHBondContact CB-O 3.47Å; G455-V505 PolarHBondContact O-N 2.9Å; L457-V505 HydrophobicContact CB-CG2 4.19Å; L457-V505 HydrophobicContact CD1-CG2 4.29Å; Y460-V505 HydrophobicContact CD1-CG1 4.23Å; Y460-V505 HydrophobicContact CD1-CG2 3.98Å; Y460-V505 HydrophobicContact CD2-CB 4.32Å; Y460-V505 HydrophobicContact CD2-CG1 4.15Å; Y460-V505 HydrophobicContact CD2-CG2 4.28Å; Y460-V505 HydrophobicContact CE1-CG1 4.15Å; Y460-V505 HydrophobicContact CE2-CG1 4.07Å; Y460-V505 HydrophobicContact CG-CB 4.27Å; Y460-V505 HydrophobicContact CG-CG1 4.23Å; Y460-V505 HydrophobicContact CG-CG2 3.75Å; V505-I511 HydrophobicContact CB-CD1 4.33Å; V505-I511 HydrophobicContact CG1-CD1 4.08Å; V505-I511 HydrophobicContact CG2-CD1 3.75Å |
| 506 | D | 86.8 | Confident | 89.5 | Confident | 25 Ų | 25 | 27.2 Ų | 27.2 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | trans | -78.9 | -179.1 | 176.7 | 84 | -2.3 | 0 | 0 | 0 | 112 | L452 N454 N508 G509 T510 | L452-D506 HydrophobicContact CD2-CB 4.09Å; L452-D506 HydrophobicContact CG-CB 4.31Å; N454-D506 PolarHBondContact ND2-O 3.45Å; D506-N508 PolarHBondContact O-N 3.14Å; D506-N508 VanDerWaalsContact OD1-CA 3.32Å; D506-N508 WeakPolarHBondContact OD1-CA 3.22Å; D506-N508 WeakPolarHBondContact OD1-CB 3.48Å; D506-N508 PolarHBondContact OD1-N 3.12Å; D506-G509 PolarHBondContact O-N 2.84Å; D506-G509 PolarHBondContact OD1-N 3Å; D506-T510 PolarHBondContact N-O 2.79Å; D506-T510 PolarHBondContact OD1-N 2.8Å; D506-T510 WeakPolarHBondContact OD2-CB 3.26Å | ||
| 507 | T | 81.9 | Confident | 87.8 | Confident | 103 Ų | 103 | 25.3 Ų | 25.3 | 63% | 0.632 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.6 | 179.7 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | S453 | S453-T507 WeakPolarHBondContact OG-CG2 3.45Š|
| 508 | N | 78.4 | Confident | 86.2 | Confident | 109 Ų | 109 | 25.4 Ų | 25.4 | 58% | 0.583 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -7 | -178.3 | -60.3 | -31.6 | 0 | 0 | 0 | 112.3 | D506 | D506-N508 PolarHBondContact O-N 3.14Å; D506-N508 VanDerWaalsContact OD1-CA 3.32Å; D506-N508 WeakPolarHBondContact OD1-CA 3.22Å; D506-N508 WeakPolarHBondContact OD1-CB 3.48Å; D506-N508 PolarHBondContact OD1-N 3.12Å |
| 509 | G | 83.6 | Confident | 84.3 | Confident | 24 Ų | 24 | 25.5 Ų | 25.5 | 25% | 0.247 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 90.6 | 5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D506 | D506-G509 PolarHBondContact O-N 2.84Å; D506-G509 PolarHBondContact OD1-N 3Å |
| 510 | T | 87.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | trans | -70.7 | 139.6 | 175.4 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | Q266 D480 D506 | Q266-T510 PolarHBondContact NE2-OG1 3.24Å; D480-T510 WeakPolarHBondContact OD2-CA 3.02Å; D506-T510 PolarHBondContact N-O 2.79Å; D506-T510 PolarHBondContact OD1-N 2.8Å; D506-T510 WeakPolarHBondContact OD2-CB 3.26Å | ||
| 511 | I | 95.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.3 | -179.9 | -47.8 | -54.2 | 0 | 0 | 0 | 110.5 | N431 L457 M477 D480 V481 C503 L504 V505 | N431-I511 PolarHBondContact ND2-O 3.11Å; N431-I511 VanDerWaalsContact ND2-O 3.14Å; L457-I511 HydrophobicContact CD1-CD1 3.85Å; L457-I511 HydrophobicContact CD2-CG2 4.17Å; M477-I511 HydrophobicContact CB-CD1 4.43Å; M477-I511 HydrophobicContact CB-CG1 3.82Å; M477-I511 HydrophobicContact CG-CD1 4.09Å; M477-I511 HydrophobicContact CG-CG1 3.93Å; D480-I511 HydrophobicContact CB-CB 3.77Å; D480-I511 HydrophobicContact CB-CG1 4.29Å; D480-I511 PolarHBondContact OD2-N 3.5Å; V481-I511 HydrophobicContact CG2-CB 4.24Å; V481-I511 HydrophobicContact CG2-CG2 3.52Å; C503-I511 HydrophobicContact CB-CG2 3.74Å; L504-I511 WeakPolarHBondContact O-CA 3.27Å; V505-I511 HydrophobicContact CB-CD1 4.33Å; V505-I511 HydrophobicContact CG1-CD1 4.08Å; V505-I511 HydrophobicContact CG2-CD1 3.75Å |
| 512 | K | 94.8 | Very high | 77.6 | Confident | 29 Ų | 29 | 32.8 Ų | 32.8 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.2 | 174.1 | -56.7 | -164.5 | 179.1 | -168.3 | 0 | 111.5 | E430 N431 V433 E450 L452 C503 L504 | E430-K512 WeakPolarHBondContact O-CD 3.48Å; E430-K512 WeakPolarHBondContact O-CE 3.43Å; N431-K512 CarbonylContact O-C 3.43Å; N431-K512 WeakPolarHBondContact O-CA 3.41Å; V433-K512 HydrophobicContact CG2-CB 3.68Å; E450-K512 VanDerWaalsContact CD-NZ 3.25Å; E450-K512 IonicContact OE1-NZ 3.55Å; E450-K512 PolarHBondContact OE1-NZ 3.02Å; E450-K512 IonicContact OE2-NZ 2.92Å; E450-K512 PolarHBondContact OE2-NZ 2.99Å; L452-K512 HydrophobicContact CD2-CB 4.07Å; L452-K512 HydrophobicContact CD2-CD 4.02Å; L452-K512 HydrophobicContact CD2-CG 4.05Å; C503-K512 CarbonylContact C-O 3.54Å; C503-K512 WeakPolarHBondContact CA-O 3.36Å; L504-K512 PolarHBondContact N-O 3.14Å; L504-K512 PolarHBondContact O-N 2.95Å |
| 513 | V | 95.1 | Very high | 74.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 134.8 | 175 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | N431 L432 V433 V481 M485 H495 L498 F516 | N431-V513 PolarHBondContact O-N 3.06Å; L432-V513 HydrophobicContact CD2-CB 3.73Å; L432-V513 HydrophobicContact CD2-CG2 4.35Å; V433-V513 PolarHBondContact N-O 3.3Å; V481-V513 HydrophobicContact CG1-CG2 4.06Å; M485-V513 HydrophobicContact CG-CG2 4.45Å; M485-V513 HydrophobicContact SD-CG1 4.25Å; H495-V513 VanDerWaalsContact NE2-CG1 3.35Å; H495-V513 WeakPolarHBondContact NE2-CG1 3.44Å; L498-V513 HydrophobicContact CD1-CG1 4.06Å; V513-F516 WeakPolarHBondContact O-CE1 3.35Å |
| 514 | T | 90.1 | Very high | 72.3 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | trans | -126.6 | 176.8 | 179.4 | -163.9 | 0 | 0 | 0 | 0 | 111.1 | H495 N502 L504 F516 | H495-T514 PolarHBondContact NE2-O 2.89Å; N502-T514 WeakPolarHBondContact O-CG2 2.98Å; N502-T514 PolarHBondContact O-N 2.86Å; L504-T514 HydrophobicContact CD1-CG2 4.15Å; L504-T514 HydrophobicContact CD2-CG2 4.2Å; L504-T514 HydrophobicContact CG-CG2 3.74Å; T514-F516 PolarHBondContact O-N 3.05Å | ||
| 515 | D | 79.4 | Confident | 70.1 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | trans | 60.2 | 15.4 | 177.4 | -79.9 | -2.4 | 0 | 0 | 0 | 114.9 | K405 G517 L518 | K405-D515 IonicContact NZ-OD1 2.65Å; K405-D515 PolarHBondContact NZ-OD1 3.5Å; K405-D515 IonicContact NZ-OD2 3.21Å; K405-D515 PolarHBondContact NZ-OD2 3Å; D515-G517 PolarHBondContact O-N 3.28Å; D515-G517 VanDerWaalsContact O-N 3.09Å; D515-L518 PolarHBondContact O-N 3.07Å | ||
| 516 | F | 66.8 | Low | 68.4 | Low | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -65.3 | -3.2 | 157.7 | 66.9 | -90 | 0 | 0 | 0 | 112.6 | M424 L427 L432 V433 L488 V513 T514 L518 S519 | M424-F516 HydrophobicContact CE-CD2 3.71Å; M424-F516 HydrophobicContact CE-CE2 3.69Å; M424-F516 HydrophobicContact CE-CZ 4.49Å; L427-F516 HydrophobicContact CB-CE2 4.22Å; L427-F516 HydrophobicContact CD1-CD2 3.95Å; L427-F516 HydrophobicContact CD1-CE2 3.91Å; L432-F516 HydrophobicContact CB-CE1 4.02Å; L432-F516 HydrophobicContact CB-CZ 4.21Å; L432-F516 HydrophobicContact CD1-CZ 4.46Å; L432-F516 HydrophobicContact CD2-CD1 4.31Å; L432-F516 HydrophobicContact CD2-CE1 4.21Å; V433-F516 WeakPolarHBondContact O-CZ 3.29Å; L488-F516 HydrophobicContact CD1-CB 4.1Å; L488-F516 HydrophobicContact CD1-CG 4.41Å; L488-F516 HydrophobicContact CD2-CD2 4.34Å; V513-F516 WeakPolarHBondContact O-CE1 3.35Å; T514-F516 PolarHBondContact O-N 3.05Å; F516-L518 PolarHBondContact O-N 3.33Å; F516-S519 WeakPolarHBondContact CA-OG 3Å; F516-S519 VanDerWaalsContact CB-OG 3.26Å; F516-S519 WeakPolarHBondContact CB-OG 3.27Å; F516-S519 WeakPolarHBondContact O-CB 3.05Å; F516-S519 PolarHBondContact O-N 3.31Å; F516-S519 PolarHBondContact O-OG 2.9Å |
| 517 | G | 52.8 | Low | 67.2 | Low | 11 Ų | 11 | 51.6 Ų | 51.6 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -31.9 | -32.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | M424 D515 | M424-G517 VanDerWaalsContact CE-N 3.26Å; M424-G517 WeakPolarHBondContact SD-CA 3.48Å; D515-G517 PolarHBondContact O-N 3.28Å; D515-G517 VanDerWaalsContact O-N 3.09Å |
| 518 | L | 55.2 | Low | 66.4 | Low | 42 Ų | 42 | 50.8 Ų | 50.8 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -126.3 | 9.1 | -170.2 | -58.1 | 169.5 | 0 | 0 | 0 | 110.8 | F388 M412 D515 F516 | F388-L518 HydrophobicContact CB-CD1 4.22Å; F388-L518 HydrophobicContact CD1-CD1 3.5Å; F388-L518 VanDerWaalsContact CD1-CD1 3.5Å; F388-L518 HydrophobicContact CD2-CD1 3.54Å; F388-L518 HydrophobicContact CE1-CD1 3.63Å; F388-L518 HydrophobicContact CE2-CD1 3.67Å; F388-L518 HydrophobicContact CG-CD1 3.45Å; F388-L518 VanDerWaalsContact CG-CD1 3.45Å; F388-L518 HydrophobicContact CZ-CD1 3.71Å; M412-L518 HydrophobicContact CE-CD2 4.34Å; D515-L518 PolarHBondContact O-N 3.07Å; F516-L518 PolarHBondContact O-N 3.33Å |
| 519 | S | 54.5 | Low | 65.4 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | -64.4 | 147.6 | 168 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | I494 H495 F516 | I494-S519 WeakPolarHBondContact O-CA 3.1Å; I494-S519 WeakPolarHBondContact O-CB 3.45Å; I494-S519 PolarHBondContact O-OG 3.31Å; H495-S519 WeakPolarHBondContact CA-OG 3.36Å; F516-S519 WeakPolarHBondContact CA-OG 3Å; F516-S519 VanDerWaalsContact CB-OG 3.26Å; F516-S519 WeakPolarHBondContact CB-OG 3.27Å; F516-S519 WeakPolarHBondContact O-CB 3.05Å; F516-S519 PolarHBondContact O-N 3.31Å; F516-S519 PolarHBondContact O-OG 2.9Å | ||
| 520 | R | 56.4 | Low | 63.7 | Low | 80 Ų | 80 | 49.1 Ų | 49.1 | 30% | 0.302 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.5 | 176 | -71 | -157.6 | -177.3 | 176.9 | 11.8 | 109.7 | I494 V522 Y527 | I494-R520 PolarHBondContact N-O 3.26Å; I494-R520 PolarHBondContact O-N 3.23Å; R520-V522 HydrophobicContact CB-CG2 4.05Å; R520-V522 PolarHBondContact O-N 3.15Å; R520-Y527 VanDerWaalsContact CZ-CZ 3.46Å; R520-Y527 PolarHBondContact NH1-OH 3.44Å; R520-Y527 PolarHBondContact NH2-OH 3.41Å; R520-Y527 VanDerWaalsContact NH2-OH 3.15Å |
| 521 | Y | 43.9 | Very low | 61.4 | Low | 126 Ų | 126 | 53.8 Ų | 53.8 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.6 | 161.9 | -177.1 | -105 | 0 | 0 | 0 | 108.8 | Q492 Y493 L523 | Q492-Y521 HydrophobicContact CB-CE2 4.07Å; Y493-Y521 HydrophobicContact CD2-CD2 4.18Å; Y493-Y521 AromaticContact CE2-CD2 3.78Å; Y493-Y521 HydrophobicContact CE2-CD2 3.78Å; Y521-L523 HydrophobicContact CE1-CD2 3.75Å; Y521-L523 HydrophobicContact CE1-CG 3.84Å; Y521-L523 VanDerWaalsContact OH-CD2 3.31Å; Y521-L523 WeakPolarHBondContact OH-CD2 3.19Å |
| 522 | V | 48.4 | Very low | 59.1 | Low | 17 Ų | 17 | 57.6 Ų | 57.6 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | trans | -136.5 | 114.6 | -176.8 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | Q492 I494 R520 D524 E526 | Q492-V522 PolarHBondContact O-N 2.85Å; I494-V522 HydrophobicContact CD1-CB 3.92Å; I494-V522 HydrophobicContact CD1-CG1 4.34Å; I494-V522 HydrophobicContact CD1-CG2 3.77Å; R520-V522 HydrophobicContact CB-CG2 4.05Å; R520-V522 PolarHBondContact O-N 3.15Å; V522-D524 VanDerWaalsContact C-N 3.3Å; V522-D524 PolarHBondContact O-N 3.04Å; V522-E526 VanDerWaalsContact CG1-O 3.24Å; V522-E526 WeakPolarHBondContact CG1-O 3.22Å | ||
| 523 | L | 33.7 | Very low | 57.1 | Low | 129 Ų | 129 | 57.8 Ų | 57.8 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.5 | -177.8 | -73.9 | 164.3 | 0 | 0 | 0 | 113.7 | Y521 | Y521-L523 HydrophobicContact CE1-CD2 3.75Å; Y521-L523 HydrophobicContact CE1-CG 3.84Å; Y521-L523 VanDerWaalsContact OH-CD2 3.31Å; Y521-L523 WeakPolarHBondContact OH-CD2 3.19Å |
| 524 | D | 44.9 | Very low | 55.6 | Low | 128 Ų | 128 | 66.2 Ų | 66.2 | 68% | 0.684 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 20.1 | -173.9 | -63.9 | -27.5 | 0 | 0 | 0 | 112.6 | V522 E526 | V522-D524 VanDerWaalsContact C-N 3.3Å; V522-D524 PolarHBondContact O-N 3.04Å; D524-E526 PolarHBondContact O-N 2.93Å |
| 525 | D | 48.8 | Very low | 54.9 | Low | 48 Ų | 48 | 68.2 Ų | 68.2 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 48.7 | 15.4 | -178.6 | -165.7 | 31.5 | 0 | 0 | 0 | 116.3 | S551 S552 | D525-S551 WeakPolarHBondContact O-CA 3.38Å; D525-S551 WeakPolarHBondContact O-CB 3.43Å; D525-S552 VanDerWaalsContact CG-OG 3.28Å; D525-S552 WeakPolarHBondContact OD1-CB 3.37Å; D525-S552 PolarHBondContact OD1-N 3.23Å; D525-S552 PolarHBondContact OD1-OG 3.5Å; D525-S552 WeakPolarHBondContact OD2-CB 3.15Å; D525-S552 PolarHBondContact OD2-OG 2.84Å |
| 526 | E | 58.1 | Low | 55.3 | Low | 125 Ų | 125 | 67.1 Ų | 67.1 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | trans | -133 | 131.1 | 176.3 | -73.5 | -159.5 | 161.8 | 0 | 0 | 111.8 | V522 D524 F550 | V522-E526 VanDerWaalsContact CG1-O 3.24Å; V522-E526 WeakPolarHBondContact CG1-O 3.22Å; D524-E526 PolarHBondContact O-N 2.93Å; E526-F550 CarbonylContact C-O 3.58Å; E526-F550 WeakPolarHBondContact CA-O 3.41Å | ||
| 527 | Y | 62.5 | Low | 56.5 | Low | 37 Ų | 37 | 67.9 Ų | 67.9 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 120.4 | 176.5 | 173.1 | -105.4 | 0 | 0 | 0 | 111.5 | R520 F550 | R520-Y527 VanDerWaalsContact CZ-CZ 3.46Å; R520-Y527 PolarHBondContact NH1-OH 3.44Å; R520-Y527 PolarHBondContact NH2-OH 3.41Å; R520-Y527 VanDerWaalsContact NH2-OH 3.15Å; Y527-F550 HydrophobicContact CD1-CB 4.36Å; Y527-F550 HydrophobicContact CD1-CD2 4.09Å; Y527-F550 PolarHBondContact N-O 3.26Å; Y527-F550 PolarHBondContact O-N 3.28Å |
| 528 | T | 64.6 | Low | 58.5 | Low | 86 Ų | 86 | 69.6 Ų | 69.6 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.3 | 171.6 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | C548 | T528-C548 WeakPolarHBondContact CA-O 3.39Å |
| 529 | S | 56.8 | Low | 60.5 | Low | 11 Ų | 11 | 68.8 Ų | 68.8 | 8% | 0.077 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 151.1 | 178.1 | -166.2 | 0 | 0 | 0 | 0 | 112.5 | S533 C548 | S529-S533 WeakPolarHBondContact CB-OG 3.25Å; S529-S533 VanDerWaalsContact OG-CB 3.31Å; S529-S533 WeakPolarHBondContact OG-CB 3.48Å; S529-S533 PolarHBondContact OG-OG 3.06Å; S529-C548 PolarHBondContact N-O 3.24Å |
| 530 | S | 48.9 | Very low | 62.5 | Low | 87 Ų | 87 | 69 Ų | 69 | 61% | 0.608 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 139.9 | 174.9 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | G532 S533 | S530-G532 PolarHBondContact O-N 2.79Å; S530-S533 PolarHBondContact O-N 2.67Å; S530-S533 PolarHBondContact O-OG 2.66Å |
| 531 | A | 38.8 | Very low | 64.4 | Low | 103 Ų | 103 | 65.3 Ų | 65.3 | 85% | 0.851 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 128.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 532 | G | 45.9 | Very low | 66.7 | Low | 80 Ų | 80 | 60 Ų | 60 | 83% | 0.825 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100 | -1.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S530 K534 | S530-G532 PolarHBondContact O-N 2.79Å; G532-K534 PolarHBondContact O-N 2.65Å |
| 533 | S | 53.8 | Low | 68.9 | Low | 32 Ų | 32 | 60.4 Ų | 60.4 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | trans | -66.4 | 126.8 | 170.4 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | S529 S530 F535 | S529-S533 WeakPolarHBondContact CB-OG 3.25Å; S529-S533 VanDerWaalsContact OG-CB 3.31Å; S529-S533 WeakPolarHBondContact OG-CB 3.48Å; S529-S533 PolarHBondContact OG-OG 3.06Å; S530-S533 PolarHBondContact O-N 2.67Å; S530-S533 PolarHBondContact O-OG 2.66Å; S533-F535 WeakPolarHBondContact O-CD1 3.29Å | ||
| 534 | K | 63.8 | Low | 71.6 | Confident | 178 Ų | 178 | 54.3 Ų | 54.3 | 77% | 0.774 | 32% | 0.317 | S | S | * | . | trans | -70.9 | 131.1 | 173.1 | -64.9 | -177.3 | 178.6 | -178.5 | 0 | 109.6 | G532 | G532-K534 PolarHBondContact O-N 2.65Š| ||
| 535 | F | 74 | Confident | 73.8 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 25% | 0.25 | 29% | 0.289 | C | S | . | . | trans | -139.8 | 159.3 | 178 | 56 | -101.6 | 0 | 0 | 0 | 110.5 | S533 V537 V544 L545 F550 | S533-F535 WeakPolarHBondContact O-CD1 3.29Å; F535-V537 HydrophobicContact CD2-CG2 4.33Å; F535-V537 HydrophobicContact CE2-CG2 4Å; F535-V537 PolarHBondContact O-N 2.88Å; F535-V544 HydrophobicContact CD2-CG1 4.18Å; F535-V544 HydrophobicContact CE2-CG1 4.45Å; F535-V544 HydrophobicContact CG-CG1 4.41Å; F535-L545 HydrophobicContact CE2-CD2 3.79Å; F535-F550 HydrophobicContact CB-CZ 4.07Å; F535-F550 HydrophobicContact CG-CZ 4.48Å | ||
| 536 | P | 87.9 | Confident | 75.5 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 16% | 0.156 | 30% | 0.298 | C | S | . | . | trans | -78.4 | 86.2 | -173.7 | 35.2 | -41.2 | 0 | 0 | 0 | 112 | D497 R501 R538 W539 S540 | D497-P536 WeakPolarHBondContact OD1-CB 3.19Å; D497-P536 VanDerWaalsContact OD1-CG 3.24Å; D497-P536 WeakPolarHBondContact OD1-CG 3.47Å; R501-P536 VanDerWaalsContact NH2-CB 3.31Å; P536-R538 VanDerWaalsContact C-N 3.26Å; P536-R538 PolarHBondContact O-N 2.84Å; P536-W539 HydrophobicContact CB-CB 4.42Å; P536-W539 HydrophobicContact CB-CE3 3.89Å; P536-W539 HydrophobicContact CG-CB 4.4Å; P536-W539 PolarHBondContact O-N 3.07Å; P536-S540 PolarHBondContact O-N 2.65Å; P536-S540 PolarHBondContact O-OG 2.73Å | ||
| 537 | V | 92.4 | Very high | 76.8 | Confident | 21 Ų | 21 | 52 Ų | 52 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -45.6 | -43.2 | -174.6 | 176 | 0 | 0 | 0 | 0 | 114.1 | F535 W539 S540 L545 N579 I582 V583 | F535-V537 HydrophobicContact CD2-CG2 4.33Å; F535-V537 HydrophobicContact CE2-CG2 4Å; F535-V537 PolarHBondContact O-N 2.88Å; V537-W539 VanDerWaalsContact C-N 3.27Å; V537-W539 PolarHBondContact O-N 2.91Å; V537-S540 PolarHBondContact O-N 3.28Å; V537-L545 HydrophobicContact CB-CD2 4.45Å; V537-L545 HydrophobicContact CG1-CD2 3.99Å; V537-N579 HydrophobicContact CB-CB 4.37Å; V537-N579 HydrophobicContact CG1-CB 4.02Å; V537-N579 HydrophobicContact CG2-CB 4.27Å; V537-I582 HydrophobicContact CG1-CB 4.29Å; V537-I582 HydrophobicContact CG1-CG2 4.04Å; V537-V583 HydrophobicContact CG1-CG2 4.13Å |
| 538 | R | 95.8 | Very high | 77.8 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 18% | 0.181 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -67.8 | -21.2 | -177.7 | -78.3 | 170 | -177.6 | 73.3 | 10.7 | 114.9 | P536 P573 L577 N579 I582 | P536-R538 VanDerWaalsContact C-N 3.26Å; P536-R538 PolarHBondContact O-N 2.84Å; R538-P573 HydrophobicContact CB-CB 4.33Å; R538-P573 WeakPolarHBondContact CD-O 3.44Å; R538-P573 PolarHBondContact NE-O 2.94Å; R538-L577 PolarHBondContact NH2-O 2.69Å; R538-L577 VanDerWaalsContact NH2-O 3.12Å; R538-N579 PolarHBondContact NH1-OD1 3.31Å; R538-I582 HydrophobicContact CG-CD1 3.54Å |
| 539 | W | 96.9 | Very high | 78.8 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -107.1 | -0.5 | -180 | -67 | -100.8 | 0 | 0 | 0 | 112.2 | A499 P536 V537 W557 A558 V561 E565 L572 P573 | A499-W539 HydrophobicContact CB-CD2 4.22Å; A499-W539 HydrophobicContact CB-CG 4.22Å; A499-W539 HydrophobicContact CB-CZ2 4.39Å; P536-W539 HydrophobicContact CB-CB 4.42Å; P536-W539 HydrophobicContact CB-CE3 3.89Å; P536-W539 HydrophobicContact CG-CB 4.4Å; P536-W539 PolarHBondContact O-N 3.07Å; V537-W539 VanDerWaalsContact C-N 3.27Å; V537-W539 PolarHBondContact O-N 2.91Å; W539-W557 VanDerWaalsContact O-CD1 3.3Å; W539-A558 HydrophobicContact CB-CB 4.42Å; W539-V561 VanDerWaalsContact CD1-CG1 3.43Å; W539-V561 HydrophobicContact CG-CB 4.46Å; W539-V561 HydrophobicContact CG-CG1 4Å; W539-E565 WeakPolarHBondContact CZ2-OE1 3.41Å; W539-E565 PolarHBondContact NE1-OE2 3.1Å; W539-L572 HydrophobicContact CH2-CD1 4.22Å; W539-P573 HydrophobicContact CZ2-CG 3.95Å |
| 540 | S | 95.2 | Very high | 80.3 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | trans | -94.4 | 136.8 | -171.8 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | P536 V537 | P536-S540 PolarHBondContact O-N 2.65Å; P536-S540 PolarHBondContact O-OG 2.73Å; V537-S540 PolarHBondContact O-N 3.28Å | ||
| 541 | P | 96.4 | Very high | 82.4 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.019 | 26% | 0.264 | C | S | . | . | trans | -75.8 | 165 | 174.6 | 34.4 | -40.6 | 0 | 0 | 0 | 112.6 | E543 V544 L545 W557 | P541-E543 VanDerWaalsContact C-N 3.29Å; P541-E543 WeakPolarHBondContact CB-OE1 3.35Å; P541-E543 WeakPolarHBondContact CB-OE2 3.18Å; P541-E543 HydrophobicContact CG-CG 4.39Å; P541-E543 WeakPolarHBondContact CG-OE1 3.24Å; P541-E543 PolarHBondContact O-N 3.12Å; P541-V544 HydrophobicContact CG-CB 3.99Å; P541-V544 HydrophobicContact CG-CG2 3.6Å; P541-V544 PolarHBondContact O-N 2.93Å; P541-L545 WeakPolarHBondContact O-CG 3.49Å; P541-L545 PolarHBondContact O-N 3.12Å; P541-W557 HydrophobicContact CB-CB 3.84Å; P541-W557 HydrophobicContact CB-CD2 3.5Å; P541-W557 HydrophobicContact CB-CE3 3.67Å; P541-W557 HydrophobicContact CB-CG 3.57Å; P541-W557 HydrophobicContact CB-CZ3 4.37Å; P541-W557 HydrophobicContact CG-CB 4.25Å; P541-W557 HydrophobicContact CG-CG 4.31Å | ||
| 542 | P | 94.1 | Very high | 85 | Confident | 15 Ų | 15 | 43 Ų | 43 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -49.6 | -42.6 | -179.6 | -26.1 | 31.3 | 0 | 0 | 0 | 114.5 | V544 L545 L546 W557 V586 | P542-V544 VanDerWaalsContact C-N 3.33Å; P542-V544 PolarHBondContact O-N 3.25Å; P542-L545 PolarHBondContact O-N 2.79Å; P542-L546 VanDerWaalsContact O-CB 3.31Å; P542-L546 WeakPolarHBondContact O-CB 3.44Å; P542-L546 VanDerWaalsContact O-CG 3.25Å; P542-L546 WeakPolarHBondContact O-CG 3.17Å; P542-L546 PolarHBondContact O-N 3Å; P542-W557 HydrophobicContact CG-CH2 4.13Å; P542-W557 HydrophobicContact CG-CZ3 4.32Å; P542-V586 HydrophobicContact CG-CG1 3.99Å |
| 543 | E | 93.4 | Very high | 87.5 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69 | -28.4 | -178.9 | 69.4 | -78.6 | -177.9 | 0 | 0 | 113.7 | P541 Y547 C548 K549 R617 | P541-E543 VanDerWaalsContact C-N 3.29Å; P541-E543 WeakPolarHBondContact CB-OE1 3.35Å; P541-E543 WeakPolarHBondContact CB-OE2 3.18Å; P541-E543 HydrophobicContact CG-CG 4.39Å; P541-E543 WeakPolarHBondContact CG-OE1 3.24Å; P541-E543 PolarHBondContact O-N 3.12Å; E543-Y547 HydrophobicContact CB-CD2 4.45Å; E543-Y547 CarbonylContact O-C 3.55Å; E543-Y547 WeakPolarHBondContact O-CA 3.31Å; E543-Y547 WeakPolarHBondContact O-CB 3.24Å; E543-Y547 PolarHBondContact O-N 2.87Å; E543-C548 PolarHBondContact O-N 3.48Å; E543-K549 HydrophobicContact CB-CB 4.47Å; E543-K549 HydrophobicContact CG-CB 4.45Å; E543-K549 PolarHBondContact O-N 3.49Å; E543-R617 IonicContact OE1-CZ 3.75Å; E543-R617 VanDerWaalsContact OE1-CZ 3.3Å; E543-R617 IonicContact OE1-NH1 2.76Å; E543-R617 PolarHBondContact OE1-NH1 3.33Å; E543-R617 IonicContact OE1-NH2 3.56Å; E543-R617 PolarHBondContact OE1-NH2 2.91Å; E543-R617 VanDerWaalsContact OE1-NH2 3.11Å; E543-R617 IonicContact OE2-CZ 3.93Å; E543-R617 IonicContact OE2-NH1 3.53Å; E543-R617 IonicContact OE2-NH2 2.82Å; E543-R617 PolarHBondContact OE2-NH2 2.84Å |
| 544 | V | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -74.3 | -44.8 | 169.9 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | F535 P541 P542 L546 C548 K549 F550 | F535-V544 HydrophobicContact CD2-CG1 4.18Å; F535-V544 HydrophobicContact CE2-CG1 4.45Å; F535-V544 HydrophobicContact CG-CG1 4.41Å; P541-V544 HydrophobicContact CG-CB 3.99Å; P541-V544 HydrophobicContact CG-CG2 3.6Å; P541-V544 PolarHBondContact O-N 2.93Å; P542-V544 VanDerWaalsContact C-N 3.33Å; P542-V544 PolarHBondContact O-N 3.25Å; V544-L546 VanDerWaalsContact C-N 3.35Å; V544-L546 PolarHBondContact O-N 3.48Å; V544-C548 WeakPolarHBondContact O-CA 3.49Å; V544-C548 PolarHBondContact O-N 3.25Å; V544-K549 WeakPolarHBondContact CG2-O 3.49Å; V544-F550 HydrophobicContact CG1-CD1 4.31Å; V544-F550 HydrophobicContact CG1-CE1 3.65Å; V544-F550 HydrophobicContact CG1-CE2 4.16Å; V544-F550 HydrophobicContact CG1-CZ 3.55Å; V544-F550 HydrophobicContact CG2-CD1 3.97Å; V544-F550 HydrophobicContact CG2-CE1 4.12Å; V544-F550 HydrophobicContact CG2-CG 4.29Å |
| 545 | L | 89.8 | Confident | 91 | Very high | 19 Ų | 19 | 31 Ų | 31 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | -178 | -64.7 | 178 | 0 | 0 | 0 | 112.6 | F535 V537 P541 P542 V583 V586 | F535-L545 HydrophobicContact CE2-CD2 3.79Å; V537-L545 HydrophobicContact CB-CD2 4.45Å; V537-L545 HydrophobicContact CG1-CD2 3.99Å; P541-L545 WeakPolarHBondContact O-CG 3.49Å; P541-L545 PolarHBondContact O-N 3.12Å; P542-L545 PolarHBondContact O-N 2.79Å; L545-V583 HydrophobicContact CB-CG2 4.42Å; L545-V583 HydrophobicContact CD1-CG2 4.31Å; L545-V583 HydrophobicContact CD2-CG2 4.11Å; L545-V586 HydrophobicContact CD1-CB 4.31Å; L545-V586 HydrophobicContact CD1-CG1 4.13Å |
| 546 | L | 85.6 | Confident | 92.2 | Very high | 85 Ų | 85 | 28.2 Ų | 28.2 | 45% | 0.445 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -92.5 | -34.9 | -174 | -62.5 | 173.7 | 0 | 0 | 0 | 112.8 | P542 V544 | P542-L546 VanDerWaalsContact O-CB 3.31Å; P542-L546 WeakPolarHBondContact O-CB 3.44Å; P542-L546 VanDerWaalsContact O-CG 3.25Å; P542-L546 WeakPolarHBondContact O-CG 3.17Å; P542-L546 PolarHBondContact O-N 3Å; V544-L546 VanDerWaalsContact C-N 3.35Å; V544-L546 PolarHBondContact O-N 3.48Å |
| 547 | Y | 84.2 | Confident | 92.7 | Very high | 148 Ų | 148 | 27.1 Ų | 27.1 | 58% | 0.58 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -129.3 | 1.9 | -168.3 | -46.7 | -63.1 | 0 | 0 | 0 | 114 | E543 K549 | E543-Y547 HydrophobicContact CB-CD2 4.45Å; E543-Y547 CarbonylContact O-C 3.55Å; E543-Y547 WeakPolarHBondContact O-CA 3.31Å; E543-Y547 WeakPolarHBondContact O-CB 3.24Å; E543-Y547 PolarHBondContact O-N 2.87Å; Y547-K549 PolarHBondContact O-N 2.83Å |
| 548 | C | 83.9 | Confident | 93 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 16% | 0.162 | 12% | 0.124 | C | C | . | . | trans | 53.1 | 31.1 | -175.6 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | T528 S529 E543 V544 F550 | T528-C548 WeakPolarHBondContact CA-O 3.39Å; S529-C548 PolarHBondContact N-O 3.24Å; E543-C548 PolarHBondContact O-N 3.48Å; V544-C548 WeakPolarHBondContact O-CA 3.49Å; V544-C548 PolarHBondContact O-N 3.25Å; C548-F550 WeakPolarHBondContact O-CD2 3.49Å | ||
| 549 | K | 86.6 | Confident | 93.1 | Very high | 86 Ų | 86 | 24.1 Ų | 24.1 | 37% | 0.374 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 107.9 | 178.8 | -75.5 | -170.8 | 169 | -155.1 | 0 | 110.9 | E543 V544 Y547 | E543-K549 HydrophobicContact CB-CB 4.47Å; E543-K549 HydrophobicContact CG-CB 4.45Å; E543-K549 PolarHBondContact O-N 3.49Å; V544-K549 WeakPolarHBondContact CG2-O 3.49Å; Y547-K549 PolarHBondContact O-N 2.83Å |
| 550 | F | 88 | Confident | 93.2 | Very high | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 144.7 | 175 | -62.3 | -93.7 | 0 | 0 | 0 | 110.3 | I494 R496 E526 Y527 F535 V544 C548 | I494-F550 HydrophobicContact CG2-CB 4.42Å; R496-F550 HydrophobicContact CB-CD1 3.89Å; R496-F550 HydrophobicContact CB-CE1 4.13Å; R496-F550 HydrophobicContact CG-CB 4.24Å; R496-F550 HydrophobicContact CG-CD1 3.84Å; R496-F550 HydrophobicContact CG-CG 4.18Å; E526-F550 CarbonylContact C-O 3.58Å; E526-F550 WeakPolarHBondContact CA-O 3.41Å; Y527-F550 HydrophobicContact CD1-CB 4.36Å; Y527-F550 HydrophobicContact CD1-CD2 4.09Å; Y527-F550 PolarHBondContact N-O 3.26Å; Y527-F550 PolarHBondContact O-N 3.28Å; F535-F550 HydrophobicContact CB-CZ 4.07Å; F535-F550 HydrophobicContact CG-CZ 4.48Å; V544-F550 HydrophobicContact CG1-CD1 4.31Å; V544-F550 HydrophobicContact CG1-CE1 3.65Å; V544-F550 HydrophobicContact CG1-CE2 4.16Å; V544-F550 HydrophobicContact CG1-CZ 3.55Å; V544-F550 HydrophobicContact CG2-CD1 3.97Å; V544-F550 HydrophobicContact CG2-CE1 4.12Å; V544-F550 HydrophobicContact CG2-CG 4.29Å; C548-F550 WeakPolarHBondContact O-CD2 3.49Å |
| 551 | S | 91.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 8% | 0.077 | 11% | 0.109 | C | C | . | . | trans | -157.5 | 171.8 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 109.8 | D525 K553 S554 D555 | D525-S551 WeakPolarHBondContact O-CA 3.38Å; D525-S551 WeakPolarHBondContact O-CB 3.43Å; S551-K553 PolarHBondContact O-N 2.81Å; S551-K553 PolarHBondContact OG-N 3.27Å; S551-S554 PolarHBondContact N-OG 2.91Å; S551-S554 WeakPolarHBondContact O-CA 3.24Å; S551-S554 WeakPolarHBondContact O-CB 3.31Å; S551-S554 PolarHBondContact O-N 3.19Å; S551-S554 PolarHBondContact O-OG 2.8Å; S551-S554 PolarHBondContact OG-N 2.89Å; S551-D555 PolarHBondContact O-N 3.19Å | ||
| 552 | S | 94 | Very high | 93.5 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -46.6 | -42.8 | 165.3 | 63.8 | 0 | 0 | 0 | 0 | 111.4 | D525 S554 D555 I556 | D525-S552 VanDerWaalsContact CG-OG 3.28Å; D525-S552 WeakPolarHBondContact OD1-CB 3.37Å; D525-S552 PolarHBondContact OD1-N 3.23Å; D525-S552 PolarHBondContact OD1-OG 3.5Å; D525-S552 WeakPolarHBondContact OD2-CB 3.15Å; D525-S552 PolarHBondContact OD2-OG 2.84Å; S552-S554 VanDerWaalsContact C-N 3.26Å; S552-S554 PolarHBondContact O-N 2.83Å; S552-D555 WeakPolarHBondContact O-CA 3.29Å; S552-D555 WeakPolarHBondContact O-CB 3.29Å; S552-D555 PolarHBondContact O-N 3.25Å; S552-I556 WeakPolarHBondContact O-CG1 3.4Å; S552-I556 PolarHBondContact O-N 3.12Å |
| 553 | K | 97.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 21.8 Ų | 21.8 | 14% | 0.139 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.2 | -25.2 | 178.8 | -54.7 | -58.2 | -178.3 | 173 | 0 | 113.9 | S551 W557 A614 R617 P618 | S551-K553 PolarHBondContact O-N 2.81Å; S551-K553 PolarHBondContact OG-N 3.27Å; K553-W557 PolarHBondContact O-N 3.32Å; K553-A614 HydrophobicContact CB-CB 3.94Å; K553-A614 WeakPolarHBondContact CB-O 3.41Å; K553-A614 WeakPolarHBondContact CD-O 3.25Å; K553-A614 VanDerWaalsContact CG-O 3.29Å; K553-A614 WeakPolarHBondContact CG-O 3.14Å; K553-R617 HydrophobicContact CD-CB 4.36Å; K553-R617 PolarHBondContact NZ-O 3.18Å; K553-R617 PolarHBondContact O-NH1 3.17Å; K553-P618 VanDerWaalsContact NZ-C 3.3Å; K553-P618 PolarHBondContact NZ-O 2.91Å |
| 554 | S | 96 | Very high | 94 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74.2 | -32.7 | 171.1 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | S551 S552 W557 A558 | S551-S554 PolarHBondContact N-OG 2.91Å; S551-S554 WeakPolarHBondContact O-CA 3.24Å; S551-S554 WeakPolarHBondContact O-CB 3.31Å; S551-S554 PolarHBondContact O-N 3.19Å; S551-S554 PolarHBondContact O-OG 2.8Å; S551-S554 PolarHBondContact OG-N 2.89Å; S552-S554 VanDerWaalsContact C-N 3.26Å; S552-S554 PolarHBondContact O-N 2.83Å; S554-W557 WeakPolarHBondContact O-CB 3.42Å; S554-W557 PolarHBondContact O-N 3.17Å; S554-A558 PolarHBondContact O-N 3.26Å |
| 555 | D | 97.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -72.5 | -32.6 | 172.4 | -70.9 | -33.2 | 0 | 0 | 0 | 111.7 | M485 I494 H495 R496 S551 S552 W557 A558 Y559 F620 | M485-D555 HydrophobicContact CE-CB 3.81Å; I494-D555 WeakPolarHBondContact CA-OD2 3.5Å; I494-D555 VanDerWaalsContact CG2-OD2 3.26Å; I494-D555 WeakPolarHBondContact CG2-OD2 3.44Å; H495-D555 WeakPolarHBondContact CA-OD2 3.29Å; H495-D555 WeakPolarHBondContact CB-OD2 3.27Å; H495-D555 PolarHBondContact N-OD2 3.39Å; R496-D555 WeakPolarHBondContact CA-OD1 3.36Å; R496-D555 PolarHBondContact N-OD1 3.32Å; S551-D555 PolarHBondContact O-N 3.19Å; S552-D555 WeakPolarHBondContact O-CA 3.29Å; S552-D555 WeakPolarHBondContact O-CB 3.29Å; S552-D555 PolarHBondContact O-N 3.25Å; D555-W557 VanDerWaalsContact C-N 3.31Å; D555-W557 PolarHBondContact O-N 2.97Å; D555-A558 CarbonylContact O-C 3.49Å; D555-A558 WeakPolarHBondContact O-CB 3.28Å; D555-A558 PolarHBondContact O-N 3.02Å; D555-A558 VanDerWaalsContact O-N 3.15Å; D555-Y559 WeakPolarHBondContact O-CB 3.12Å; D555-Y559 PolarHBondContact O-N 3.44Å; D555-F620 HydrophobicContact CB-CE2 3.8Å; D555-F620 HydrophobicContact CB-CZ 3.99Å |
| 556 | I | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 171.5 | -64.8 | -73.4 | 0 | 0 | 0 | 110.8 | S552 A558 Y559 G560 C609 R617 P618 F620 L623 | S552-I556 WeakPolarHBondContact O-CG1 3.4Å; S552-I556 PolarHBondContact O-N 3.12Å; I556-A558 VanDerWaalsContact C-N 3.34Å; I556-A558 PolarHBondContact O-N 3.29Å; I556-Y559 WeakPolarHBondContact O-CB 3.42Å; I556-Y559 PolarHBondContact O-N 3.39Å; I556-G560 PolarHBondContact O-N 2.7Å; I556-C609 HydrophobicContact CG2-CB 4.03Å; I556-C609 WeakPolarHBondContact O-CB 3.49Å; I556-R617 HydrophobicContact CG2-CB 3.96Å; I556-P618 WeakPolarHBondContact CD1-O 3.43Å; I556-P618 WeakPolarHBondContact CG1-O 3.31Å; I556-P618 HydrophobicContact CG2-CG 4.26Å; I556-F620 HydrophobicContact CD1-CB 4.25Å; I556-F620 HydrophobicContact CD1-CD1 3.72Å; I556-F620 HydrophobicContact CD1-CD2 3.44Å; I556-F620 VanDerWaalsContact CD1-CD2 3.44Å; I556-F620 HydrophobicContact CD1-CE1 3.83Å; I556-F620 HydrophobicContact CD1-CE2 3.55Å; I556-F620 HydrophobicContact CD1-CG 3.52Å; I556-F620 HydrophobicContact CD1-CZ 3.75Å; I556-F620 HydrophobicContact CG1-CD2 4.12Å; I556-F620 HydrophobicContact CG1-CE2 3.9Å; I556-F620 HydrophobicContact CG1-CZ 4.24Å; I556-L623 HydrophobicContact CD1-CD1 3.56Å; I556-L623 HydrophobicContact CG2-CD1 4.18Å |
| 557 | W | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 174.3 | 179.2 | -73.2 | 0 | 0 | 0 | 111.7 | W539 P541 P542 K553 S554 D555 Y559 G560 V561 V586 C609 W610 | W539-W557 VanDerWaalsContact O-CD1 3.3Å; P541-W557 HydrophobicContact CB-CB 3.84Å; P541-W557 HydrophobicContact CB-CD2 3.5Å; P541-W557 HydrophobicContact CB-CE3 3.67Å; P541-W557 HydrophobicContact CB-CG 3.57Å; P541-W557 HydrophobicContact CB-CZ3 4.37Å; P541-W557 HydrophobicContact CG-CB 4.25Å; P541-W557 HydrophobicContact CG-CG 4.31Å; P542-W557 HydrophobicContact CG-CH2 4.13Å; P542-W557 HydrophobicContact CG-CZ3 4.32Å; K553-W557 PolarHBondContact O-N 3.32Å; S554-W557 WeakPolarHBondContact O-CB 3.42Å; S554-W557 PolarHBondContact O-N 3.17Å; D555-W557 VanDerWaalsContact C-N 3.31Å; D555-W557 PolarHBondContact O-N 2.97Å; W557-Y559 VanDerWaalsContact C-N 3.27Å; W557-Y559 PolarHBondContact O-N 3.39Å; W557-G560 PolarHBondContact O-N 3.15Å; W557-G560 VanDerWaalsContact O-N 3.15Å; W557-V561 PolarHBondContact O-N 3.33Å; W557-V561 VanDerWaalsContact O-N 3.12Å; W557-V586 HydrophobicContact CH2-CG1 3.88Å; W557-V586 HydrophobicContact CZ2-CG1 3.67Å; W557-C609 WeakPolarHBondContact CA-O 3.42Å; W557-W610 HydrophobicContact CD2-CB 4.44Å; W557-W610 AromaticContact CD2-CD1 3.61Å; W557-W610 HydrophobicContact CD2-CG 4.36Å; W557-W610 AromaticContact CE2-CD1 3.76Å; W557-W610 HydrophobicContact CE3-CB 4.04Å; W557-W610 HydrophobicContact CE3-CG 4.43Å; W557-W610 AromaticContact CG-CD1 3.88Å; W557-W610 HydrophobicContact CH2-CB 4.11Å; W557-W610 HydrophobicContact CZ2-CB 4.48Å; W557-W610 HydrophobicContact CZ3-CB 3.87Å; W557-W610 WeakPolarHBondContact CZ3-O 3.34Å; W557-W610 PolarHBondContact O-NE1 3.46Å |
| 558 | A | 98.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 9.8 Ų | 9.8 | 5% | 0.05 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.8 | -36.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L498 W539 S554 D555 I556 V561 L562 | L498-A558 HydrophobicContact CB-CB 3.99Å; W539-A558 HydrophobicContact CB-CB 4.42Å; S554-A558 PolarHBondContact O-N 3.26Å; D555-A558 CarbonylContact O-C 3.49Å; D555-A558 WeakPolarHBondContact O-CB 3.28Å; D555-A558 PolarHBondContact O-N 3.02Å; D555-A558 VanDerWaalsContact O-N 3.15Å; I556-A558 VanDerWaalsContact C-N 3.34Å; I556-A558 PolarHBondContact O-N 3.29Å; A558-V561 PolarHBondContact O-N 3.26Å; A558-L562 WeakPolarHBondContact O-CB 3.33Å; A558-L562 PolarHBondContact O-N 2.79Å |
| 559 | Y | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 172.4 | 172.7 | -96.7 | 0 | 0 | 0 | 111.9 | C478 V481 T482 L498 D555 I556 W557 V561 L562 M563 F620 L623 | C478-Y559 PolarHBondContact O-OH 3.11Å; V481-Y559 HydrophobicContact CB-CE2 4.39Å; V481-Y559 HydrophobicContact CG1-CD2 4.01Å; V481-Y559 HydrophobicContact CG1-CE2 4.17Å; T482-Y559 HydrophobicContact CG2-CE2 4.49Å; T482-Y559 WeakPolarHBondContact OG1-CE2 3.35Å; T482-Y559 PolarHBondContact OG1-OH 2.09Å; L498-Y559 HydrophobicContact CD2-CD2 4.49Å; D555-Y559 WeakPolarHBondContact O-CB 3.12Å; D555-Y559 PolarHBondContact O-N 3.44Å; I556-Y559 WeakPolarHBondContact O-CB 3.42Å; I556-Y559 PolarHBondContact O-N 3.39Å; W557-Y559 VanDerWaalsContact C-N 3.27Å; W557-Y559 PolarHBondContact O-N 3.39Å; Y559-V561 VanDerWaalsContact C-N 3.28Å; Y559-V561 PolarHBondContact O-N 3.45Å; Y559-L562 CarbonylContact O-C 3.57Å; Y559-L562 WeakPolarHBondContact O-CA 3.48Å; Y559-L562 WeakPolarHBondContact O-CB 3.41Å; Y559-L562 PolarHBondContact O-N 3.03Å; Y559-L562 VanDerWaalsContact O-N 3.07Å; Y559-M563 HydrophobicContact CD1-CG 4.22Å; Y559-M563 HydrophobicContact CD1-SD 4.18Å; Y559-M563 HydrophobicContact CE1-CG 3.65Å; Y559-M563 HydrophobicContact CE1-SD 3.34Å; Y559-M563 WeakPolarHBondContact CE1-SD 3.21Å; Y559-M563 HydrophobicContact CE2-CG 4.21Å; Y559-M563 WeakPolarHBondContact O-CG 3.45Å; Y559-M563 PolarHBondContact O-N 3.35Å; Y559-F620 HydrophobicContact CD1-CE1 4.49Å; Y559-F620 HydrophobicContact CD2-CE1 4.11Å; Y559-F620 AromaticContact CG-CE1 3.85Å; Y559-F620 HydrophobicContact CG-CE1 3.85Å; Y559-L623 HydrophobicContact CD1-CD1 3.76Å; Y559-L623 HydrophobicContact CE1-CD1 3.96Å |
| 560 | G | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I556 W557 M563 W564 W610 | I556-G560 PolarHBondContact O-N 2.7Å; W557-G560 PolarHBondContact O-N 3.15Å; W557-G560 VanDerWaalsContact O-N 3.15Å; G560-M563 PolarHBondContact O-N 3.42Å; G560-W564 PolarHBondContact O-N 3.34Å; G560-W564 VanDerWaalsContact O-N 3.13Å; G560-W610 WeakPolarHBondContact O-CZ2 3.21Å |
| 561 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | W539 W557 A558 Y559 W564 E565 P573 L592 W610 | W539-V561 VanDerWaalsContact CD1-CG1 3.43Å; W539-V561 HydrophobicContact CG-CB 4.46Å; W539-V561 HydrophobicContact CG-CG1 4Å; W557-V561 PolarHBondContact O-N 3.33Å; W557-V561 VanDerWaalsContact O-N 3.12Å; A558-V561 PolarHBondContact O-N 3.26Å; Y559-V561 VanDerWaalsContact C-N 3.28Å; Y559-V561 PolarHBondContact O-N 3.45Å; V561-W564 WeakPolarHBondContact O-CA 3.45Å; V561-W564 WeakPolarHBondContact O-CB 3.43Å; V561-W564 PolarHBondContact O-N 3.26Å; V561-W564 VanDerWaalsContact O-N 3.14Å; V561-E565 PolarHBondContact O-N 3.13Å; V561-P573 HydrophobicContact CG1-CB 3.88Å; V561-P573 HydrophobicContact CG1-CG 3.55Å; V561-L592 HydrophobicContact CG1-CD1 4.14Å; V561-L592 HydrophobicContact CG2-CD1 4.29Å; V561-W610 HydrophobicContact CG2-CZ2 4.27Å |
| 562 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 174.9 | 179.7 | 157.2 | 0 | 0 | 0 | 111.6 | V481 L498 A558 Y559 W564 E565 V566 | V481-L562 HydrophobicContact CG1-CD1 3.95Å; V481-L562 HydrophobicContact CG1-CD2 4.23Å; V481-L562 HydrophobicContact CG2-CD2 4.3Å; L498-L562 HydrophobicContact CD1-CD1 3.9Å; L498-L562 HydrophobicContact CG-CD1 3.99Å; A558-L562 WeakPolarHBondContact O-CB 3.33Å; A558-L562 PolarHBondContact O-N 2.79Å; Y559-L562 CarbonylContact O-C 3.57Å; Y559-L562 WeakPolarHBondContact O-CA 3.48Å; Y559-L562 WeakPolarHBondContact O-CB 3.41Å; Y559-L562 PolarHBondContact O-N 3.03Å; Y559-L562 VanDerWaalsContact O-N 3.07Å; L562-W564 PolarHBondContact O-N 3.28Å; L562-E565 WeakPolarHBondContact O-CA 3.44Å; L562-E565 WeakPolarHBondContact O-CB 3.28Å; L562-E565 PolarHBondContact O-N 3.47Å; L562-E565 VanDerWaalsContact O-N 3.08Å; L562-V566 HydrophobicContact CD2-CG2 4Å; L562-V566 WeakPolarHBondContact O-CG2 3.39Å; L562-V566 PolarHBondContact O-N 3.08Å |
| 563 | M | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.4 | -43.2 | 173 | -68 | -172.3 | 82.8 | 0 | 0 | 110.2 | L475 C478 Y559 G560 E565 V566 Y567 V602 I605 M606 | L475-M563 HydrophobicContact CD1-CE 4.29Å; C478-M563 HydrophobicContact CB-CE 4.2Å; C478-M563 HydrophobicContact CB-CG 4.34Å; Y559-M563 HydrophobicContact CD1-CG 4.22Å; Y559-M563 HydrophobicContact CD1-SD 4.18Å; Y559-M563 HydrophobicContact CE1-CG 3.65Å; Y559-M563 HydrophobicContact CE1-SD 3.34Å; Y559-M563 WeakPolarHBondContact CE1-SD 3.21Å; Y559-M563 HydrophobicContact CE2-CG 4.21Å; Y559-M563 WeakPolarHBondContact O-CG 3.45Å; Y559-M563 PolarHBondContact O-N 3.35Å; G560-M563 PolarHBondContact O-N 3.42Å; M563-E565 VanDerWaalsContact C-N 3.35Å; M563-E565 PolarHBondContact O-N 2.91Å; M563-V566 PolarHBondContact O-N 3.05Å; M563-Y567 WeakPolarHBondContact O-CD2 3.27Å; M563-Y567 PolarHBondContact O-N 3.1Å; M563-V602 HydrophobicContact CE-CG1 4.25Å; M563-I605 HydrophobicContact CE-CB 4.38Å; M563-I605 HydrophobicContact CE-CG2 4.05Å; M563-I605 HydrophobicContact SD-CB 4.42Å; M563-I605 HydrophobicContact SD-CG2 3.72Å; M563-M606 HydrophobicContact CB-CE 3.78Å; M563-M606 HydrophobicContact CB-CG 3.9Å; M563-M606 HydrophobicContact SD-CG 4.16Å |
| 564 | W | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.015 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 176.3 | -174.6 | 96.7 | 0 | 0 | 0 | 112.4 | G560 V561 L562 Y567 T568 R571 P573 L592 Y593 P595 M606 W610 | G560-W564 PolarHBondContact O-N 3.34Å; G560-W564 VanDerWaalsContact O-N 3.13Å; V561-W564 WeakPolarHBondContact O-CA 3.45Å; V561-W564 WeakPolarHBondContact O-CB 3.43Å; V561-W564 PolarHBondContact O-N 3.26Å; V561-W564 VanDerWaalsContact O-N 3.14Å; L562-W564 PolarHBondContact O-N 3.28Å; W564-Y567 PolarHBondContact O-N 2.97Å; W564-T568 HydrophobicContact CD2-CG2 3.85Å; W564-T568 HydrophobicContact CE3-CG2 4.14Å; W564-T568 HydrophobicContact CG-CG2 4.49Å; W564-T568 HydrophobicContact CH2-CG2 3.96Å; W564-T568 HydrophobicContact CZ2-CG2 3.66Å; W564-T568 HydrophobicContact CZ3-CG2 4.18Å; W564-T568 WeakPolarHBondContact O-CB 3.46Å; W564-T568 WeakPolarHBondContact O-CG2 3.45Å; W564-T568 PolarHBondContact O-N 3.37Å; W564-T568 PolarHBondContact O-OG1 3.29Å; W564-R571 HydrophobicContact CH2-CB 3.88Å; W564-R571 HydrophobicContact CZ3-CB 3.98Å; W564-P573 HydrophobicContact CE3-CB 4.45Å; W564-P573 HydrophobicContact CE3-CG 4.2Å; W564-P573 HydrophobicContact CZ3-CB 4.3Å; W564-P573 HydrophobicContact CZ3-CG 4.14Å; W564-L592 HydrophobicContact CB-CD1 4.02Å; W564-L592 HydrophobicContact CD2-CB 4.38Å; W564-L592 HydrophobicContact CD2-CD1 3.84Å; W564-L592 HydrophobicContact CD2-CD2 4.34Å; W564-L592 HydrophobicContact CD2-CG 4.41Å; W564-L592 HydrophobicContact CE3-CD1 4.21Å; W564-L592 HydrophobicContact CG-CB 4.1Å; W564-L592 HydrophobicContact CG-CD1 3.74Å; W564-L592 HydrophobicContact CG-CG 4.42Å; W564-L592 HydrophobicContact CZ2-CD2 4.17Å; W564-Y593 VanDerWaalsContact CD1-O 3.27Å; W564-Y593 HydrophobicContact CZ2-CD1 4.32Å; W564-Y593 AromaticContact CZ2-CE1 3.56Å; W564-Y593 HydrophobicContact CZ2-CE1 3.56Å; W564-Y593 AromaticContact CZ2-CZ 3.67Å; W564-Y593 PolarHBondContact NE1-O 3.3Å; W564-P595 HydrophobicContact CG-CG 4.17Å; W564-M606 HydrophobicContact CB-SD 4.46Å; W564-W610 HydrophobicContact CB-CH2 4.21Å; W564-W610 HydrophobicContact CB-CZ2 4.28Å |
| 565 | E | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 172.1 | -67.4 | -177.5 | 98 | 0 | 0 | 111 | A500 W539 V561 L562 M563 Y567 T568 L569 G570 P573 | A500-E565 HydrophobicContact CB-CB 4.1Å; A500-E565 PolarHBondContact N-OE2 2.9Å; W539-E565 WeakPolarHBondContact CZ2-OE1 3.41Å; W539-E565 PolarHBondContact NE1-OE2 3.1Å; V561-E565 PolarHBondContact O-N 3.13Å; L562-E565 WeakPolarHBondContact O-CA 3.44Å; L562-E565 WeakPolarHBondContact O-CB 3.28Å; L562-E565 PolarHBondContact O-N 3.47Å; L562-E565 VanDerWaalsContact O-N 3.08Å; M563-E565 VanDerWaalsContact C-N 3.35Å; M563-E565 PolarHBondContact O-N 2.91Å; E565-Y567 PolarHBondContact O-N 2.82Å; E565-T568 PolarHBondContact O-N 3.09Å; E565-T568 PolarHBondContact O-OG1 3.25Å; E565-L569 PolarHBondContact O-N 3.33Å; E565-L569 VanDerWaalsContact O-N 3.11Å; E565-G570 PolarHBondContact O-N 3.11Å; E565-P573 HydrophobicContact CG-CG 3.97Å |
| 566 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.9 | -49.8 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | L457 L461 L474 M477 L562 M563 T568 L569 | L457-V566 HydrophobicContact CD2-CG2 3.96Å; L461-V566 HydrophobicContact CD1-CB 4.49Å; L461-V566 HydrophobicContact CD1-CG2 4.2Å; L461-V566 HydrophobicContact CD2-CG1 4.47Å; L474-V566 HydrophobicContact CB-CG1 3.88Å; L474-V566 HydrophobicContact CD2-CG1 3.79Å; L474-V566 HydrophobicContact CG-CG1 4.37Å; M477-V566 HydrophobicContact CB-CG1 4.48Å; L562-V566 HydrophobicContact CD2-CG2 4Å; L562-V566 WeakPolarHBondContact O-CG2 3.39Å; L562-V566 PolarHBondContact O-N 3.08Å; M563-V566 PolarHBondContact O-N 3.05Å; V566-T568 VanDerWaalsContact C-N 3.28Å; V566-T568 PolarHBondContact O-N 2.94Å; V566-L569 PolarHBondContact O-N 3.03Å; V566-L569 VanDerWaalsContact O-N 3.1Å |
| 567 | Y | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.3 | -11.1 | -177.1 | -84.4 | -91.4 | 0 | 0 | 0 | 115 | P471 L474 L475 M563 W564 E565 P595 L597 A598 V602 M606 | P471-Y567 PolarHBondContact O-OH 2.91Å; L474-Y567 HydrophobicContact CB-CE1 4.19Å; L474-Y567 HydrophobicContact CB-CE2 4.17Å; L474-Y567 HydrophobicContact CD1-CD1 4.13Å; L474-Y567 HydrophobicContact CD1-CE1 4.37Å; L475-Y567 WeakPolarHBondContact CB-OH 2.74Å; M563-Y567 WeakPolarHBondContact O-CD2 3.27Å; M563-Y567 PolarHBondContact O-N 3.1Å; W564-Y567 PolarHBondContact O-N 2.97Å; E565-Y567 PolarHBondContact O-N 2.82Å; Y567-P595 WeakPolarHBondContact O-CB 3.43Å; Y567-L597 HydrophobicContact CD1-CB 4.08Å; Y567-A598 HydrophobicContact CD1-CB 3.65Å; Y567-A598 HydrophobicContact CE1-CB 4.17Å; Y567-A598 HydrophobicContact CG-CB 4.08Å; Y567-V602 HydrophobicContact CD1-CG1 4.4Å; Y567-V602 HydrophobicContact CD2-CG1 4.09Å; Y567-V602 HydrophobicContact CE1-CG1 3.93Å; Y567-V602 HydrophobicContact CE1-CG2 4.45Å; Y567-V602 HydrophobicContact CE2-CG1 3.61Å; Y567-V602 HydrophobicContact CG-CG1 4.45Å; Y567-V602 WeakPolarHBondContact OH-CG2 3.27Å; Y567-M606 HydrophobicContact CD2-CE 3.56Å; Y567-M606 HydrophobicContact CE2-CE 4.28Å; Y567-M606 HydrophobicContact CG-CE 3.82Å |
| 568 | T | 97.3 | Very high | 96.9 | Very high | 16 Ų | 16 | 35 Ų | 35 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 5.8 | 169.7 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | W564 E565 V566 G570 R571 P595 | W564-T568 HydrophobicContact CD2-CG2 3.85Å; W564-T568 HydrophobicContact CE3-CG2 4.14Å; W564-T568 HydrophobicContact CG-CG2 4.49Å; W564-T568 HydrophobicContact CH2-CG2 3.96Å; W564-T568 HydrophobicContact CZ2-CG2 3.66Å; W564-T568 HydrophobicContact CZ3-CG2 4.18Å; W564-T568 WeakPolarHBondContact O-CB 3.46Å; W564-T568 WeakPolarHBondContact O-CG2 3.45Å; W564-T568 PolarHBondContact O-N 3.37Å; W564-T568 PolarHBondContact O-OG1 3.29Å; E565-T568 PolarHBondContact O-N 3.09Å; E565-T568 PolarHBondContact O-OG1 3.25Å; V566-T568 VanDerWaalsContact C-N 3.28Å; V566-T568 PolarHBondContact O-N 2.94Å; T568-G570 VanDerWaalsContact C-N 3.31Å; T568-G570 PolarHBondContact O-N 3.27Å; T568-R571 PolarHBondContact OG1-N 3.43Å; T568-P595 HydrophobicContact CG2-CB 3.78Å; T568-P595 HydrophobicContact CG2-CG 3.77Å |
| 569 | L | 96.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 43.2 | -177.8 | -48.9 | -180 | 0 | 0 | 0 | 112.1 | L461 P469 L474 E565 V566 L597 | L461-L569 HydrophobicContact CD2-CD2 4.45Å; P469-L569 HydrophobicContact CG-CD2 3.62Å; L474-L569 HydrophobicContact CD1-CD2 4.24Å; L474-L569 HydrophobicContact CD2-CD2 4.03Å; E565-L569 PolarHBondContact O-N 3.33Å; E565-L569 VanDerWaalsContact O-N 3.11Å; V566-L569 PolarHBondContact O-N 3.03Å; V566-L569 VanDerWaalsContact O-N 3.1Å; L569-L597 HydrophobicContact CD1-CD1 4.14Å; L569-L597 HydrophobicContact CD2-CD1 4.05Å; L569-L597 HydrophobicContact CG-CD1 4.05Å |
| 570 | G | 96.3 | Very high | 96 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 82.6 | 28.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R462 E565 T568 | R462-G570 PolarHBondContact NE-O 3.29Å; R462-G570 PolarHBondContact NH2-O 2.8Å; E565-G570 PolarHBondContact O-N 3.11Å; T568-G570 VanDerWaalsContact C-N 3.31Å; T568-G570 PolarHBondContact O-N 3.27Å |
| 571 | R | 96.4 | Very high | 95.8 | Very high | 127 Ų | 127 | 47.9 Ų | 47.9 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 155.7 | 170.4 | -71.8 | -174 | -173.9 | -167.3 | 1.2 | 110.9 | W564 T568 P573 | W564-R571 HydrophobicContact CH2-CB 3.88Å; W564-R571 HydrophobicContact CZ3-CB 3.98Å; T568-R571 PolarHBondContact OG1-N 3.43Å; R571-P573 WeakPolarHBondContact O-CD 3.12Å |
| 572 | L | 96 | Very high | 95.5 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.366 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -75.8 | 124.9 | 175.9 | -175.3 | 66.9 | 0 | 0 | 0 | 109.6 | W539 Y574 E575 | W539-L572 HydrophobicContact CH2-CD1 4.22Å; L572-Y574 PolarHBondContact O-N 3.42Å; L572-E575 HydrophobicContact CB-CB 4.11Å; L572-E575 WeakPolarHBondContact O-CB 3.01Å; L572-E575 PolarHBondContact O-N 2.9Å |
| 573 | P | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 134.4 | 175.4 | -23.9 | 34.2 | 0 | 0 | 0 | 111 | R538 W539 V561 W564 E565 R571 E575 L592 | R538-P573 HydrophobicContact CB-CB 4.33Å; R538-P573 WeakPolarHBondContact CD-O 3.44Å; R538-P573 PolarHBondContact NE-O 2.94Å; W539-P573 HydrophobicContact CZ2-CG 3.95Å; V561-P573 HydrophobicContact CG1-CB 3.88Å; V561-P573 HydrophobicContact CG1-CG 3.55Å; W564-P573 HydrophobicContact CE3-CB 4.45Å; W564-P573 HydrophobicContact CE3-CG 4.2Å; W564-P573 HydrophobicContact CZ3-CB 4.3Å; W564-P573 HydrophobicContact CZ3-CG 4.14Å; E565-P573 HydrophobicContact CG-CG 3.97Å; R571-P573 WeakPolarHBondContact O-CD 3.12Å; P573-E575 VanDerWaalsContact C-N 3.27Å; P573-E575 PolarHBondContact O-N 3.07Å; P573-L592 HydrophobicContact CB-CD1 4.19Å; P573-L592 HydrophobicContact CB-CD2 4.26Å |
| 574 | Y | 96.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 40.2 | -177.8 | -47.3 | -78.5 | 0 | 0 | 0 | 113.4 | L572 R576 L577 I582 V586 H590 L592 | L572-Y574 PolarHBondContact O-N 3.42Å; Y574-R576 PolarHBondContact O-N 2.78Å; Y574-L577 HydrophobicContact CD1-CD1 4.42Å; Y574-L577 PolarHBondContact O-N 3.14Å; Y574-I582 HydrophobicContact CD2-CG2 4.31Å; Y574-I582 HydrophobicContact CG-CG1 4.27Å; Y574-V586 HydrophobicContact CE1-CG2 4.37Å; Y574-V586 HydrophobicContact CE2-CG2 4.39Å; Y574-H590 AromaticContact CE1-CD2 3.89Å; Y574-L592 HydrophobicContact CD1-CD2 3.7Å; Y574-L592 HydrophobicContact CD1-CG 4.44Å; Y574-L592 HydrophobicContact CD2-CD2 4.04Å; Y574-L592 HydrophobicContact CE1-CD2 3.58Å; Y574-L592 HydrophobicContact CE1-CG 3.82Å; Y574-L592 HydrophobicContact CE2-CD1 4.29Å; Y574-L592 HydrophobicContact CE2-CD2 3.93Å; Y574-L592 HydrophobicContact CE2-CG 4.02Å; Y574-L592 HydrophobicContact CG-CD2 3.94Å |
| 575 | E | 92.7 | Very high | 94.7 | Very high | 100 Ų | 100 | 57.1 Ų | 57.1 | 47% | 0.467 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -26.4 | -172 | 68.6 | -172.8 | 179.6 | 0 | 0 | 115.9 | L572 P573 | L572-E575 HydrophobicContact CB-CB 4.11Å; L572-E575 WeakPolarHBondContact O-CB 3.01Å; L572-E575 PolarHBondContact O-N 2.9Å; P573-E575 VanDerWaalsContact C-N 3.27Å; P573-E575 PolarHBondContact O-N 3.07Å |
| 576 | R | 92.9 | Very high | 94.5 | Very high | 220 Ų | 220 | 57.1 Ų | 57.1 | 83% | 0.83 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.4 | -178.9 | -57.3 | -173.9 | -175.9 | -179.8 | -1.3 | 114.1 | Y574 | Y574-R576 PolarHBondContact O-N 2.78Š|
| 577 | L | 93.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -113.4 | 140.1 | -174.8 | -56.3 | -177.6 | 0 | 0 | 0 | 110.9 | R538 Y574 E581 I582 Q585 | R538-L577 PolarHBondContact NH2-O 2.69Å; R538-L577 VanDerWaalsContact NH2-O 3.12Å; Y574-L577 HydrophobicContact CD1-CD1 4.42Å; Y574-L577 PolarHBondContact O-N 3.14Å; L577-E581 WeakPolarHBondContact CA-OE2 3.32Å; L577-E581 HydrophobicContact CB-CB 4.1Å; L577-E581 HydrophobicContact CD2-CB 4.27Å; L577-I582 HydrophobicContact CB-CD1 4.3Å; L577-I582 HydrophobicContact CB-CG1 3.62Å; L577-I582 HydrophobicContact CD1-CG1 4.31Å; L577-Q585 HydrophobicContact CD1-CB 4.3Å; L577-Q585 HydrophobicContact CD1-CG 4.06Å |
| 578 | N | 92.3 | Very high | 93.9 | Very high | 76 Ų | 76 | 67.4 Ų | 67.4 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | trans | -79.8 | 169.9 | 168 | 73.6 | 58.3 | 0 | 0 | 0 | 111 | N580 E581 I582 | N578-N580 VanDerWaalsContact C-N 3.29Å; N578-N580 PolarHBondContact O-N 3.44Å; N578-N580 WeakPolarHBondContact OD1-CB 3.4Å; N578-N580 PolarHBondContact OD1-N 2.58Å; N578-E581 VanDerWaalsContact CG-OE2 3.28Å; N578-E581 PolarHBondContact N-OE2 3.43Å; N578-E581 WeakPolarHBondContact ND2-CG 3.42Å; N578-E581 PolarHBondContact ND2-OE1 2.75Å; N578-E581 PolarHBondContact ND2-OE2 2.74Å; N578-E581 PolarHBondContact O-N 2.94Å; N578-E581 PolarHBondContact OD1-N 3.21Å; N578-E581 VanDerWaalsContact OD1-N 3.09Å; N578-I582 WeakPolarHBondContact O-CD1 3.44Å; N578-I582 VanDerWaalsContact O-CG1 3.25Å; N578-I582 WeakPolarHBondContact O-CG1 3.46Å; N578-I582 PolarHBondContact O-N 3.45Å | ||
| 579 | N | 89.6 | Confident | 93.8 | Very high | 71 Ų | 71 | 68.4 Ų | 68.4 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.7 | -35.9 | -174.8 | -73.3 | 7 | 0 | 0 | 0 | 113.4 | V537 R538 I582 V583 | V537-N579 HydrophobicContact CB-CB 4.37Å; V537-N579 HydrophobicContact CG1-CB 4.02Å; V537-N579 HydrophobicContact CG2-CB 4.27Å; R538-N579 PolarHBondContact NH1-OD1 3.31Å; N579-I582 PolarHBondContact O-N 3.09Å; N579-V583 VanDerWaalsContact O-CG2 3.29Å; N579-V583 WeakPolarHBondContact O-CG2 3.44Å; N579-V583 PolarHBondContact O-N 2.69Å; N579-V583 VanDerWaalsContact O-N 3.12Å |
| 580 | N | 89.8 | Confident | 93.8 | Very high | 131 Ų | 131 | 70 Ų | 70 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -71.5 | -42 | -179.8 | -64.8 | -21.1 | 0 | 0 | 0 | 111.1 | N578 I582 V583 E584 | N578-N580 VanDerWaalsContact C-N 3.29Å; N578-N580 PolarHBondContact O-N 3.44Å; N578-N580 WeakPolarHBondContact OD1-CB 3.4Å; N578-N580 PolarHBondContact OD1-N 2.58Å; N580-I582 VanDerWaalsContact C-N 3.32Å; N580-I582 PolarHBondContact O-N 3.38Å; N580-V583 PolarHBondContact O-N 3.36Å; N580-E584 PolarHBondContact O-N 2.85Å; N580-E584 VanDerWaalsContact O-N 3.07Å |
| 581 | E | 93.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 72 Ų | 72 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 175.2 | -68.8 | 167.1 | 158.1 | 0 | 0 | 111.3 | L577 N578 E584 Q585 | L577-E581 WeakPolarHBondContact CA-OE2 3.32Å; L577-E581 HydrophobicContact CB-CB 4.1Å; L577-E581 HydrophobicContact CD2-CB 4.27Å; N578-E581 VanDerWaalsContact CG-OE2 3.28Å; N578-E581 PolarHBondContact N-OE2 3.43Å; N578-E581 WeakPolarHBondContact ND2-CG 3.42Å; N578-E581 PolarHBondContact ND2-OE1 2.75Å; N578-E581 PolarHBondContact ND2-OE2 2.74Å; N578-E581 PolarHBondContact O-N 2.94Å; N578-E581 PolarHBondContact OD1-N 3.21Å; N578-E581 VanDerWaalsContact OD1-N 3.09Å; E581-E584 PolarHBondContact O-N 2.82Å; E581-Q585 WeakPolarHBondContact O-CB 3.31Å; E581-Q585 WeakPolarHBondContact O-CG 3.48Å; E581-Q585 PolarHBondContact O-N 3.21Å |
| 582 | I | 93.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 175.4 | -68.7 | 162 | 0 | 0 | 0 | 110.2 | V537 R538 Y574 L577 N578 N579 N580 E584 Q585 V586 | V537-I582 HydrophobicContact CG1-CB 4.29Å; V537-I582 HydrophobicContact CG1-CG2 4.04Å; R538-I582 HydrophobicContact CG-CD1 3.54Å; Y574-I582 HydrophobicContact CD2-CG2 4.31Å; Y574-I582 HydrophobicContact CG-CG1 4.27Å; L577-I582 HydrophobicContact CB-CD1 4.3Å; L577-I582 HydrophobicContact CB-CG1 3.62Å; L577-I582 HydrophobicContact CD1-CG1 4.31Å; N578-I582 WeakPolarHBondContact O-CD1 3.44Å; N578-I582 VanDerWaalsContact O-CG1 3.25Å; N578-I582 WeakPolarHBondContact O-CG1 3.46Å; N578-I582 PolarHBondContact O-N 3.45Å; N579-I582 PolarHBondContact O-N 3.09Å; N580-I582 VanDerWaalsContact C-N 3.32Å; N580-I582 PolarHBondContact O-N 3.38Å; I582-E584 VanDerWaalsContact C-N 3.3Å; I582-E584 PolarHBondContact O-N 3.35Å; I582-Q585 PolarHBondContact O-N 2.87Å; I582-V586 HydrophobicContact CG2-CG2 3.93Å; I582-V586 VanDerWaalsContact O-CB 3.25Å; I582-V586 WeakPolarHBondContact O-CB 3.33Å; I582-V586 VanDerWaalsContact O-CG2 3.27Å; I582-V586 WeakPolarHBondContact O-CG2 3.18Å; I582-V586 PolarHBondContact O-N 2.81Å |
| 583 | V | 91.3 | Very high | 94 | Very high | 42 Ų | 42 | 68.2 Ų | 68.2 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.8 | -46.4 | 177.7 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | V537 L545 N579 N580 S587 | V537-V583 HydrophobicContact CG1-CG2 4.13Å; L545-V583 HydrophobicContact CB-CG2 4.42Å; L545-V583 HydrophobicContact CD1-CG2 4.31Å; L545-V583 HydrophobicContact CD2-CG2 4.11Å; N579-V583 VanDerWaalsContact O-CG2 3.29Å; N579-V583 WeakPolarHBondContact O-CG2 3.44Å; N579-V583 PolarHBondContact O-N 2.69Å; N579-V583 VanDerWaalsContact O-N 3.12Å; N580-V583 PolarHBondContact O-N 3.36Å; V583-S587 WeakPolarHBondContact O-CB 3.4Å; V583-S587 PolarHBondContact O-N 2.8Å; V583-S587 VanDerWaalsContact O-N 3.17Å; V583-S587 PolarHBondContact O-OG 2.82Å |
| 584 | E | 92.3 | Very high | 94 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 42% | 0.416 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 178.8 | -175.1 | -179.9 | 174.8 | 0 | 0 | 112.6 | N580 E581 I582 S587 R588 | N580-E584 PolarHBondContact O-N 2.85Å; N580-E584 VanDerWaalsContact O-N 3.07Å; E581-E584 PolarHBondContact O-N 2.82Å; I582-E584 VanDerWaalsContact C-N 3.3Å; I582-E584 PolarHBondContact O-N 3.35Å; E584-S587 PolarHBondContact O-N 3.12Å; E584-R588 WeakPolarHBondContact O-CG 3.2Å; E584-R588 PolarHBondContact O-N 2.98Å; E584-R588 VanDerWaalsContact O-N 3.16Å; E584-R588 IonicContact OE1-CZ 3.79Å; E584-R588 IonicContact OE1-NH1 2.66Å; E584-R588 PolarHBondContact OE1-NH1 2.85Å; E584-R588 IonicContact OE1-NH2 3.16Å; E584-R588 PolarHBondContact OE1-NH2 3.34Å |
| 585 | Q | 94.6 | Very high | 94 | Very high | 66 Ų | 66 | 72.9 Ų | 72.9 | 31% | 0.308 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.4 | -45.5 | -175.4 | -68.9 | -65.8 | -23.7 | 0 | 0 | 111.8 | L577 E581 I582 S587 R588 G589 H590 | L577-Q585 HydrophobicContact CD1-CB 4.3Å; L577-Q585 HydrophobicContact CD1-CG 4.06Å; E581-Q585 WeakPolarHBondContact O-CB 3.31Å; E581-Q585 WeakPolarHBondContact O-CG 3.48Å; E581-Q585 PolarHBondContact O-N 3.21Å; I582-Q585 PolarHBondContact O-N 2.87Å; Q585-S587 VanDerWaalsContact C-N 3.3Å; Q585-S587 PolarHBondContact O-N 2.82Å; Q585-R588 PolarHBondContact O-N 2.87Å; Q585-G589 PolarHBondContact O-N 2.92Å; Q585-H590 HydrophobicContact CB-CB 3.88Å; Q585-H590 WeakPolarHBondContact O-CB 3.35Å; Q585-H590 PolarHBondContact O-N 3.22Å |
| 586 | V | 94.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 178 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | P542 L545 W557 Y574 I582 R588 G589 R591 | P542-V586 HydrophobicContact CG-CG1 3.99Å; L545-V586 HydrophobicContact CD1-CB 4.31Å; L545-V586 HydrophobicContact CD1-CG1 4.13Å; W557-V586 HydrophobicContact CH2-CG1 3.88Å; W557-V586 HydrophobicContact CZ2-CG1 3.67Å; Y574-V586 HydrophobicContact CE1-CG2 4.37Å; Y574-V586 HydrophobicContact CE2-CG2 4.39Å; I582-V586 HydrophobicContact CG2-CG2 3.93Å; I582-V586 VanDerWaalsContact O-CB 3.25Å; I582-V586 WeakPolarHBondContact O-CB 3.33Å; I582-V586 VanDerWaalsContact O-CG2 3.27Å; I582-V586 WeakPolarHBondContact O-CG2 3.18Å; I582-V586 PolarHBondContact O-N 2.81Å; V586-R588 PolarHBondContact O-N 2.86Å; V586-G589 PolarHBondContact O-N 3.05Å; V586-R591 PolarHBondContact O-NH1 2.65Å |
| 587 | S | 91 | Very high | 94.2 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66 | -20.8 | 175.2 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | V583 E584 Q585 G589 | V583-S587 WeakPolarHBondContact O-CB 3.4Å; V583-S587 PolarHBondContact O-N 2.8Å; V583-S587 VanDerWaalsContact O-N 3.17Å; V583-S587 PolarHBondContact O-OG 2.82Å; E584-S587 PolarHBondContact O-N 3.12Å; Q585-S587 VanDerWaalsContact C-N 3.3Å; Q585-S587 PolarHBondContact O-N 2.82Å; S587-G589 VanDerWaalsContact C-N 3.34Å |
| 588 | R | 93.9 | Very high | 94.4 | Very high | 170 Ų | 170 | 68.5 Ų | 68.5 | 64% | 0.642 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 4.8 | 174.1 | -74.9 | 179.8 | 176.9 | 152.8 | 9.8 | 113.7 | E584 Q585 V586 | E584-R588 WeakPolarHBondContact O-CG 3.2Å; E584-R588 PolarHBondContact O-N 2.98Å; E584-R588 VanDerWaalsContact O-N 3.16Å; E584-R588 IonicContact OE1-CZ 3.79Å; E584-R588 IonicContact OE1-NH1 2.66Å; E584-R588 PolarHBondContact OE1-NH1 2.85Å; E584-R588 IonicContact OE1-NH2 3.16Å; E584-R588 PolarHBondContact OE1-NH2 3.34Å; Q585-R588 PolarHBondContact O-N 2.87Å; V586-R588 PolarHBondContact O-N 2.86Å |
| 589 | G | 94.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 67.5 Ų | 67.5 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 6.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q585 V586 S587 R591 | Q585-G589 PolarHBondContact O-N 2.92Å; V586-G589 PolarHBondContact O-N 3.05Å; S587-G589 VanDerWaalsContact C-N 3.34Å; G589-R591 VanDerWaalsContact C-NH1 3.3Å; G589-R591 VanDerWaalsContact CA-NH1 3.34Å |
| 590 | H | 96.2 | Very high | 94.9 | Very high | 84 Ų | 84 | 69.1 Ų | 69.1 | 39% | 0.389 | 34% | 0.335 | S | S | . | . | trans | -65.9 | 138 | 173.2 | -173.7 | 61.6 | 0 | 0 | 0 | 110.4 | Y574 Q585 | Y574-H590 AromaticContact CE1-CD2 3.89Å; Q585-H590 HydrophobicContact CB-CB 3.88Å; Q585-H590 WeakPolarHBondContact O-CB 3.35Å; Q585-H590 PolarHBondContact O-N 3.22Å | ||
| 591 | R | 97.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | trans | -134.6 | 159.5 | -179.9 | -61.5 | -60 | -177.7 | -92.3 | -2.7 | 110.7 | V586 G589 W610 D612 | V586-R591 PolarHBondContact O-NH1 2.65Å; G589-R591 VanDerWaalsContact C-NH1 3.3Å; G589-R591 VanDerWaalsContact CA-NH1 3.34Å; R591-W610 HydrophobicContact CB-CE3 4.18Å; R591-W610 HydrophobicContact CG-CB 4.49Å; R591-W610 PolarHBondContact NE-O 3.14Å; R591-W610 PolarHBondContact NH2-O 3.48Å; R591-D612 IonicContact CZ-OD1 2.69Å; R591-D612 IonicContact NH2-OD1 3.22Å; R591-D612 PolarHBondContact NH2-OD1 2.94Å; R591-D612 IonicContact NH2-OD2 3.21Å | ||
| 592 | L | 98.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 140.4 | 176.5 | -66.4 | 165.5 | 0 | 0 | 0 | 110.8 | V561 W564 P573 Y574 Y603 W610 | V561-L592 HydrophobicContact CG1-CD1 4.14Å; V561-L592 HydrophobicContact CG2-CD1 4.29Å; W564-L592 HydrophobicContact CB-CD1 4.02Å; W564-L592 HydrophobicContact CD2-CB 4.38Å; W564-L592 HydrophobicContact CD2-CD1 3.84Å; W564-L592 HydrophobicContact CD2-CD2 4.34Å; W564-L592 HydrophobicContact CD2-CG 4.41Å; W564-L592 HydrophobicContact CE3-CD1 4.21Å; W564-L592 HydrophobicContact CG-CB 4.1Å; W564-L592 HydrophobicContact CG-CD1 3.74Å; W564-L592 HydrophobicContact CG-CG 4.42Å; W564-L592 HydrophobicContact CZ2-CD2 4.17Å; P573-L592 HydrophobicContact CB-CD1 4.19Å; P573-L592 HydrophobicContact CB-CD2 4.26Å; Y574-L592 HydrophobicContact CD1-CD2 3.7Å; Y574-L592 HydrophobicContact CD1-CG 4.44Å; Y574-L592 HydrophobicContact CD2-CD2 4.04Å; Y574-L592 HydrophobicContact CE1-CD2 3.58Å; Y574-L592 HydrophobicContact CE1-CG 3.82Å; Y574-L592 HydrophobicContact CE2-CD1 4.29Å; Y574-L592 HydrophobicContact CE2-CD2 3.93Å; Y574-L592 HydrophobicContact CE2-CG 4.02Å; Y574-L592 HydrophobicContact CG-CD2 3.94Å; L592-Y603 PolarHBondContact O-OH 3.27Å; L592-W610 HydrophobicContact CB-CH2 3.69Å; L592-W610 HydrophobicContact CB-CZ2 4.34Å; L592-W610 HydrophobicContact CB-CZ3 4.02Å; L592-W610 HydrophobicContact CD1-CH2 4.02Å; L592-W610 HydrophobicContact CD1-CZ2 3.85Å; L592-W610 HydrophobicContact CG-CH2 4.37Å |
| 593 | Y | 97.6 | Very high | 95.7 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 159.9 | 177.9 | 67.7 | -90.2 | 0 | 0 | 0 | 111.7 | W564 P595 | W564-Y593 VanDerWaalsContact CD1-O 3.27Å; W564-Y593 HydrophobicContact CZ2-CD1 4.32Å; W564-Y593 AromaticContact CZ2-CE1 3.56Å; W564-Y593 HydrophobicContact CZ2-CE1 3.56Å; W564-Y593 AromaticContact CZ2-CZ 3.67Å; W564-Y593 PolarHBondContact NE1-O 3.3Å; Y593-P595 VanDerWaalsContact O-CD 3.31Å; Y593-P595 WeakPolarHBondContact O-CD 3.47Å |
| 594 | R | 98.2 | Very high | 96 | Very high | 113 Ų | 113 | 69.3 Ų | 69.3 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 119.2 | 175 | -175.5 | 175.3 | 73.4 | 142 | -9.2 | 112.1 | A598 D600 Y603 | R594-A598 HydrophobicContact CG-CB 4.32Å; R594-A598 PolarHBondContact NH1-O 2.86Å; R594-D600 IonicContact CZ-OD1 3.14Å; R594-D600 IonicContact NE-OD1 2.58Å; R594-D600 IonicContact NH1-OD1 3.1Å; R594-D600 PolarHBondContact NH1-OD1 3.44Å; R594-D600 IonicContact NH2-OD1 2.74Å; R594-Y603 VanDerWaalsContact CA-CE2 3.41Å; R594-Y603 HydrophobicContact CB-CD1 3.79Å; R594-Y603 HydrophobicContact CB-CD2 3.69Å; R594-Y603 HydrophobicContact CB-CE1 3.9Å; R594-Y603 HydrophobicContact CB-CE2 3.82Å; R594-Y603 HydrophobicContact CB-CG 3.67Å; R594-Y603 HydrophobicContact CG-CD1 4.04Å; R594-Y603 HydrophobicContact CG-CD2 3.84Å; R594-Y603 HydrophobicContact CG-CE2 4.47Å; R594-Y603 HydrophobicContact CG-CG 3.59Å |
| 595 | P | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 149.6 | 173.8 | -23.4 | 35.2 | 0 | 0 | 0 | 112.4 | W564 Y567 T568 Y593 L597 A598 M606 | W564-P595 HydrophobicContact CG-CG 4.17Å; Y567-P595 WeakPolarHBondContact O-CB 3.43Å; T568-P595 HydrophobicContact CG2-CB 3.78Å; T568-P595 HydrophobicContact CG2-CG 3.77Å; Y593-P595 VanDerWaalsContact O-CD 3.31Å; Y593-P595 WeakPolarHBondContact O-CD 3.47Å; P595-L597 VanDerWaalsContact C-N 3.27Å; P595-L597 PolarHBondContact O-N 2.99Å; P595-A598 HydrophobicContact CB-CB 4.14Å; P595-A598 HydrophobicContact CG-CB 4.32Å; P595-A598 PolarHBondContact O-N 2.99Å; P595-M606 HydrophobicContact CG-CE 4.46Å |
| 596 | Q | 94.7 | Very high | 96.5 | Very high | 201 Ų | 201 | 62.3 Ų | 62.3 | 94% | 0.939 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -32.9 | -179.3 | -70.9 | -178.4 | -15.3 | 0 | 0 | 113.5 | A598 | Q596-A598 VanDerWaalsContact C-N 3.27Å; Q596-A598 PolarHBondContact O-N 3.27Å |
| 597 | L | 95.1 | Very high | 96.7 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.1 | 178.6 | -62.6 | 176 | 0 | 0 | 0 | 112.9 | L474 Y567 L569 P595 | L474-L597 HydrophobicContact CD1-CB 4.27Å; L474-L597 HydrophobicContact CD1-CD1 3.86Å; Y567-L597 HydrophobicContact CD1-CB 4.08Å; L569-L597 HydrophobicContact CD1-CD1 4.14Å; L569-L597 HydrophobicContact CD2-CD1 4.05Å; L569-L597 HydrophobicContact CG-CD1 4.05Å; P595-L597 VanDerWaalsContact C-N 3.27Å; P595-L597 PolarHBondContact O-N 2.99Å |
| 598 | A | 96.9 | Very high | 97 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | trans | -94.2 | 122.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y567 R594 P595 Q596 V602 M606 | Y567-A598 HydrophobicContact CD1-CB 3.65Å; Y567-A598 HydrophobicContact CE1-CB 4.17Å; Y567-A598 HydrophobicContact CG-CB 4.08Å; R594-A598 HydrophobicContact CG-CB 4.32Å; R594-A598 PolarHBondContact NH1-O 2.86Å; P595-A598 HydrophobicContact CB-CB 4.14Å; P595-A598 HydrophobicContact CG-CB 4.32Å; P595-A598 PolarHBondContact O-N 2.99Å; Q596-A598 VanDerWaalsContact C-N 3.27Å; Q596-A598 PolarHBondContact O-N 3.27Å; A598-V602 HydrophobicContact CB-CB 4.32Å; A598-V602 HydrophobicContact CB-CG1 3.98Å; A598-M606 HydrophobicContact CB-CE 4.3Å | ||
| 599 | N | 95.4 | Very high | 97.3 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | trans | -71.2 | 171.7 | 168.4 | 72 | 27.7 | 0 | 0 | 0 | 110.8 | R601 V602 Y603 | N599-R601 VanDerWaalsContact C-N 3.28Å; N599-R601 PolarHBondContact O-N 3.06Å; N599-R601 PolarHBondContact OD1-N 2.67Å; N599-R601 VanDerWaalsContact OD1-N 3.09Å; N599-V602 PolarHBondContact O-N 3.43Å; N599-V602 WeakPolarHBondContact OD1-CG2 3.31Å; N599-V602 PolarHBondContact OD1-N 2.72Å; N599-Y603 PolarHBondContact O-N 2.94Å | ||
| 600 | D | 96.9 | Very high | 97.5 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.4 | -37.5 | -176.8 | -65.8 | -31.7 | 0 | 0 | 0 | 112.3 | R594 Y603 T604 | R594-D600 IonicContact CZ-OD1 3.14Å; R594-D600 IonicContact NE-OD1 2.58Å; R594-D600 IonicContact NH1-OD1 3.1Å; R594-D600 PolarHBondContact NH1-OD1 3.44Å; R594-D600 IonicContact NH2-OD1 2.74Å; D600-Y603 CarbonylContact O-C 3.48Å; D600-Y603 PolarHBondContact O-N 3.05Å; D600-T604 PolarHBondContact O-N 2.83Å; D600-T604 PolarHBondContact O-OG1 2.82Å |
| 601 | R | 97.3 | Very high | 97.6 | Very high | 110 Ų | 110 | 53.5 Ų | 53.5 | 42% | 0.415 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | -179.9 | -63.9 | -179.1 | 66.8 | -171.1 | 3 | 112.3 | N599 Y603 T604 I605 L630 E633 | N599-R601 VanDerWaalsContact C-N 3.28Å; N599-R601 PolarHBondContact O-N 3.06Å; N599-R601 PolarHBondContact OD1-N 2.67Å; N599-R601 VanDerWaalsContact OD1-N 3.09Å; R601-Y603 VanDerWaalsContact C-N 3.3Å; R601-Y603 PolarHBondContact O-N 3.38Å; R601-T604 WeakPolarHBondContact O-CB 3.27Å; R601-T604 PolarHBondContact O-N 3.18Å; R601-I605 PolarHBondContact O-N 2.86Å; R601-L630 HydrophobicContact CB-CD1 3.97Å; R601-L630 HydrophobicContact CB-CD2 4.21Å; R601-E633 IonicContact CZ-OE1 2.74Å; R601-E633 IonicContact CZ-OE2 2.67Å; R601-E633 VanDerWaalsContact CZ-OE2 3.27Å; R601-E633 IonicContact NH1-OE1 2.77Å; R601-E633 IonicContact NH1-OE2 2.96Å; R601-E633 PolarHBondContact NH1-OE2 3.31Å; R601-E633 IonicContact NH2-OE1 2.83Å; R601-E633 PolarHBondContact NH2-OE1 3.37Å; R601-E633 IonicContact NH2-OE2 3.06Å; R601-E633 PolarHBondContact NH2-OE2 2.74Å; R601-E633 VanDerWaalsContact NH2-OE2 3.12Å |
| 602 | V | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 173.4 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | L475 M563 Y567 A598 N599 T604 I605 M606 L630 | L475-V602 HydrophobicContact CD1-CG2 4.35Å; M563-V602 HydrophobicContact CE-CG1 4.25Å; Y567-V602 HydrophobicContact CD1-CG1 4.4Å; Y567-V602 HydrophobicContact CD2-CG1 4.09Å; Y567-V602 HydrophobicContact CE1-CG1 3.93Å; Y567-V602 HydrophobicContact CE1-CG2 4.45Å; Y567-V602 HydrophobicContact CE2-CG1 3.61Å; Y567-V602 HydrophobicContact CG-CG1 4.45Å; Y567-V602 WeakPolarHBondContact OH-CG2 3.27Å; A598-V602 HydrophobicContact CB-CB 4.32Å; A598-V602 HydrophobicContact CB-CG1 3.98Å; N599-V602 PolarHBondContact O-N 3.43Å; N599-V602 WeakPolarHBondContact OD1-CG2 3.31Å; N599-V602 PolarHBondContact OD1-N 2.72Å; V602-T604 VanDerWaalsContact C-N 3.32Å; V602-T604 PolarHBondContact O-N 2.83Å; V602-I605 WeakPolarHBondContact O-CB 3.47Å; V602-I605 PolarHBondContact O-N 2.93Å; V602-M606 HydrophobicContact CG1-CE 3.68Å; V602-M606 PolarHBondContact O-N 3.05Å; V602-M606 VanDerWaalsContact O-N 3.15Å; V602-L630 HydrophobicContact CG2-CD2 3.78Å |
| 603 | Y | 98.4 | Very high | 97.3 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.3 | -30.2 | 178.5 | -169.7 | -119 | 0 | 0 | 0 | 113.1 | L592 R594 N599 D600 R601 I605 M606 T607 W610 | L592-Y603 PolarHBondContact O-OH 3.27Å; R594-Y603 VanDerWaalsContact CA-CE2 3.41Å; R594-Y603 HydrophobicContact CB-CD1 3.79Å; R594-Y603 HydrophobicContact CB-CD2 3.69Å; R594-Y603 HydrophobicContact CB-CE1 3.9Å; R594-Y603 HydrophobicContact CB-CE2 3.82Å; R594-Y603 HydrophobicContact CB-CG 3.67Å; R594-Y603 HydrophobicContact CG-CD1 4.04Å; R594-Y603 HydrophobicContact CG-CD2 3.84Å; R594-Y603 HydrophobicContact CG-CE2 4.47Å; R594-Y603 HydrophobicContact CG-CG 3.59Å; N599-Y603 PolarHBondContact O-N 2.94Å; D600-Y603 CarbonylContact O-C 3.48Å; D600-Y603 PolarHBondContact O-N 3.05Å; R601-Y603 VanDerWaalsContact C-N 3.3Å; R601-Y603 PolarHBondContact O-N 3.38Å; Y603-I605 VanDerWaalsContact C-N 3.31Å; Y603-I605 PolarHBondContact O-N 3.31Å; Y603-M606 HydrophobicContact CD2-CB 4.29Å; Y603-M606 HydrophobicContact CD2-SD 3.85Å; Y603-M606 PolarHBondContact O-N 3.06Å; Y603-T607 HydrophobicContact CD1-CG2 4.12Å; Y603-T607 HydrophobicContact CD2-CG2 4.43Å; Y603-T607 HydrophobicContact CE1-CG2 3.71Å; Y603-T607 HydrophobicContact CE2-CG2 4.04Å; Y603-T607 HydrophobicContact CG-CG2 4.47Å; Y603-T607 WeakPolarHBondContact O-CG2 3.23Å; Y603-T607 PolarHBondContact O-N 3.26Å; Y603-T607 PolarHBondContact O-OG1 3.12Å; Y603-W610 HydrophobicContact CE2-CZ3 4.19Å |
| 604 | T | 98.4 | Very high | 97.2 | Very high | 87 Ų | 87 | 57.3 Ų | 57.3 | 53% | 0.534 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 170 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | D600 R601 V602 T607 S608 | D600-T604 PolarHBondContact O-N 2.83Å; D600-T604 PolarHBondContact O-OG1 2.82Å; R601-T604 WeakPolarHBondContact O-CB 3.27Å; R601-T604 PolarHBondContact O-N 3.18Å; V602-T604 VanDerWaalsContact C-N 3.32Å; V602-T604 PolarHBondContact O-N 2.83Å; T604-T607 WeakPolarHBondContact CA-OG1 3.31Å; T604-T607 PolarHBondContact O-N 2.86Å; T604-T607 PolarHBondContact O-OG1 3.48Å; T604-T607 VanDerWaalsContact O-OG1 3.06Å; T604-S608 PolarHBondContact O-N 2.93Å; T604-S608 PolarHBondContact O-OG 3.19Å |
| 605 | I | 98.5 | Very high | 97 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.046 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 174.9 | -59.5 | 170.2 | 0 | 0 | 0 | 110.7 | M563 R601 V602 Y603 T607 S608 C609 L623 T626 V627 L630 | M563-I605 HydrophobicContact CE-CB 4.38Å; M563-I605 HydrophobicContact CE-CG2 4.05Å; M563-I605 HydrophobicContact SD-CB 4.42Å; M563-I605 HydrophobicContact SD-CG2 3.72Å; R601-I605 PolarHBondContact O-N 2.86Å; V602-I605 WeakPolarHBondContact O-CB 3.47Å; V602-I605 PolarHBondContact O-N 2.93Å; Y603-I605 VanDerWaalsContact C-N 3.31Å; Y603-I605 PolarHBondContact O-N 3.31Å; I605-T607 VanDerWaalsContact C-N 3.34Å; I605-T607 PolarHBondContact O-N 3.27Å; I605-S608 PolarHBondContact O-N 3.5Å; I605-S608 PolarHBondContact O-OG 3.36Å; I605-C609 PolarHBondContact O-N 2.91Å; I605-C609 PolarHBondContact O-SG 2.89Å; I605-L623 HydrophobicContact CG2-CD2 3.74Å; I605-T626 HydrophobicContact CD1-CG2 3.99Å; I605-T626 HydrophobicContact CG1-CG2 4.02Å; I605-V627 HydrophobicContact CD1-CG2 4.08Å; I605-V627 HydrophobicContact CG2-CG2 4.43Å; I605-L630 HydrophobicContact CD1-CD2 3.73Å |
| 606 | M | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.2 | -64.5 | 172.2 | -177.4 | 0 | 0 | 111.6 | M563 W564 Y567 P595 A598 V602 Y603 C609 W610 | M563-M606 HydrophobicContact CB-CE 3.78Å; M563-M606 HydrophobicContact CB-CG 3.9Å; M563-M606 HydrophobicContact SD-CG 4.16Å; W564-M606 HydrophobicContact CB-SD 4.46Å; Y567-M606 HydrophobicContact CD2-CE 3.56Å; Y567-M606 HydrophobicContact CE2-CE 4.28Å; Y567-M606 HydrophobicContact CG-CE 3.82Å; P595-M606 HydrophobicContact CG-CE 4.46Å; A598-M606 HydrophobicContact CB-CE 4.3Å; V602-M606 HydrophobicContact CG1-CE 3.68Å; V602-M606 PolarHBondContact O-N 3.05Å; V602-M606 VanDerWaalsContact O-N 3.15Å; Y603-M606 HydrophobicContact CD2-CB 4.29Å; Y603-M606 HydrophobicContact CD2-SD 3.85Å; Y603-M606 PolarHBondContact O-N 3.06Å; M606-C609 VanDerWaalsContact O-CB 3.32Å; M606-C609 WeakPolarHBondContact O-CB 2.99Å; M606-C609 PolarHBondContact O-N 2.64Å; M606-W610 HydrophobicContact CB-CH2 3.84Å; M606-W610 HydrophobicContact CB-CZ2 4.29Å; M606-W610 HydrophobicContact CB-CZ3 4.02Å; M606-W610 VanDerWaalsContact O-CD2 3.27Å |
| 607 | T | 98.3 | Very high | 97.2 | Very high | 48 Ų | 48 | 53.4 Ų | 53.4 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.1 | -31.3 | -177.5 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | Y603 T604 I605 C609 W610 | Y603-T607 HydrophobicContact CD1-CG2 4.12Å; Y603-T607 HydrophobicContact CD2-CG2 4.43Å; Y603-T607 HydrophobicContact CE1-CG2 3.71Å; Y603-T607 HydrophobicContact CE2-CG2 4.04Å; Y603-T607 HydrophobicContact CG-CG2 4.47Å; Y603-T607 WeakPolarHBondContact O-CG2 3.23Å; Y603-T607 PolarHBondContact O-N 3.26Å; Y603-T607 PolarHBondContact O-OG1 3.12Å; T604-T607 WeakPolarHBondContact CA-OG1 3.31Å; T604-T607 PolarHBondContact O-N 2.86Å; T604-T607 PolarHBondContact O-OG1 3.48Å; T604-T607 VanDerWaalsContact O-OG1 3.06Å; I605-T607 VanDerWaalsContact C-N 3.34Å; I605-T607 PolarHBondContact O-N 3.27Å; T607-C609 PolarHBondContact O-N 3.44Å; T607-W610 HydrophobicContact CG2-CE3 4.25Å; T607-W610 HydrophobicContact CG2-CZ3 4.36Å; T607-W610 PolarHBondContact O-N 3.37Å |
| 608 | S | 98.6 | Very high | 97.4 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -28.3 | 170.1 | 59 | 0 | 0 | 0 | 0 | 112.7 | T604 I605 W610 P618 | T604-S608 PolarHBondContact O-N 2.93Å; T604-S608 PolarHBondContact O-OG 3.19Å; I605-S608 PolarHBondContact O-N 3.5Å; I605-S608 PolarHBondContact O-OG 3.36Å; S608-W610 VanDerWaalsContact C-N 3.27Å; S608-W610 PolarHBondContact O-N 2.81Å; S608-P618 WeakPolarHBondContact O-CD 3.37Å |
| 609 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -20.1 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | I556 W557 I605 M606 T607 R617 | I556-C609 HydrophobicContact CG2-CB 4.03Å; I556-C609 WeakPolarHBondContact O-CB 3.49Å; W557-C609 WeakPolarHBondContact CA-O 3.42Å; I605-C609 PolarHBondContact O-N 2.91Å; I605-C609 PolarHBondContact O-SG 2.89Å; M606-C609 VanDerWaalsContact O-CB 3.32Å; M606-C609 WeakPolarHBondContact O-CB 2.99Å; M606-C609 PolarHBondContact O-N 2.64Å; T607-C609 PolarHBondContact O-N 3.44Å; C609-R617 WeakPolarHBondContact O-CD 3.48Å |
| 610 | W | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 23.9 | -174 | -53.4 | -38.1 | 0 | 0 | 0 | 114.6 | W557 G560 V561 W564 R591 L592 Y603 M606 T607 S608 | W557-W610 HydrophobicContact CD2-CB 4.44Å; W557-W610 AromaticContact CD2-CD1 3.61Å; W557-W610 HydrophobicContact CD2-CG 4.36Å; W557-W610 AromaticContact CE2-CD1 3.76Å; W557-W610 HydrophobicContact CE3-CB 4.04Å; W557-W610 HydrophobicContact CE3-CG 4.43Å; W557-W610 AromaticContact CG-CD1 3.88Å; W557-W610 HydrophobicContact CH2-CB 4.11Å; W557-W610 HydrophobicContact CZ2-CB 4.48Å; W557-W610 HydrophobicContact CZ3-CB 3.87Å; W557-W610 WeakPolarHBondContact CZ3-O 3.34Å; W557-W610 PolarHBondContact O-NE1 3.46Å; G560-W610 WeakPolarHBondContact O-CZ2 3.21Å; V561-W610 HydrophobicContact CG2-CZ2 4.27Å; W564-W610 HydrophobicContact CB-CH2 4.21Å; W564-W610 HydrophobicContact CB-CZ2 4.28Å; R591-W610 HydrophobicContact CB-CE3 4.18Å; R591-W610 HydrophobicContact CG-CB 4.49Å; R591-W610 PolarHBondContact NE-O 3.14Å; R591-W610 PolarHBondContact NH2-O 3.48Å; L592-W610 HydrophobicContact CB-CH2 3.69Å; L592-W610 HydrophobicContact CB-CZ2 4.34Å; L592-W610 HydrophobicContact CB-CZ3 4.02Å; L592-W610 HydrophobicContact CD1-CH2 4.02Å; L592-W610 HydrophobicContact CD1-CZ2 3.85Å; L592-W610 HydrophobicContact CG-CH2 4.37Å; Y603-W610 HydrophobicContact CE2-CZ3 4.19Å; M606-W610 HydrophobicContact CB-CH2 3.84Å; M606-W610 HydrophobicContact CB-CZ2 4.29Å; M606-W610 HydrophobicContact CB-CZ3 4.02Å; M606-W610 VanDerWaalsContact O-CD2 3.27Å; T607-W610 HydrophobicContact CG2-CE3 4.25Å; T607-W610 HydrophobicContact CG2-CZ3 4.36Å; T607-W610 PolarHBondContact O-N 3.37Å; S608-W610 VanDerWaalsContact C-N 3.27Å; S608-W610 PolarHBondContact O-N 2.81Å |
| 611 | L | 98 | Very high | 97.5 | Very high | 67 Ų | 67 | 51 Ų | 51 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | trans | -61.4 | 139.4 | 170.6 | -64.2 | 172.4 | 0 | 0 | 0 | 110.1 | K613 E616 R617 | L611-K613 VanDerWaalsContact C-N 3.29Å; L611-K613 PolarHBondContact O-N 2.96Å; L611-E616 HydrophobicContact CB-CB 4.45Å; L611-E616 HydrophobicContact CD1-CB 3.98Å; L611-E616 WeakPolarHBondContact CD1-O 3.4Å; L611-R617 HydrophobicContact CB-CG 4.08Å; L611-R617 PolarHBondContact O-NE 2.97Å; L611-R617 PolarHBondContact O-NH2 3.47Å | ||
| 612 | D | 93.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 50.7 Ų | 50.7 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -60.3 | -41.9 | -175.8 | -74.7 | -53.9 | 0 | 0 | 0 | 111.6 | R591 R617 | R591-D612 IonicContact CZ-OD1 2.69Å; R591-D612 IonicContact NH2-OD1 3.22Å; R591-D612 PolarHBondContact NH2-OD1 2.94Å; R591-D612 IonicContact NH2-OD2 3.21Å; D612-R617 PolarHBondContact O-NH2 2.71Å |
| 613 | K | 95.7 | Very high | 97.5 | Very high | 117 Ų | 117 | 50.9 Ų | 50.9 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -82.8 | 125.1 | 176.3 | -76.7 | 171.8 | 176.8 | -177.3 | 0 | 110.5 | L611 D615 E616 | L611-K613 VanDerWaalsContact C-N 3.29Å; L611-K613 PolarHBondContact O-N 2.96Å; K613-D615 VanDerWaalsContact C-N 3.33Å; K613-D615 WeakPolarHBondContact CB-OD1 3.17Å; K613-D615 PolarHBondContact O-N 3.32Å; K613-E616 HydrophobicContact CB-CB 4.19Å; K613-E616 HydrophobicContact CB-CG 3.91Å; K613-E616 HydrophobicContact CD-CG 4.05Å; K613-E616 WeakPolarHBondContact CD-OE1 3.41Å; K613-E616 IonicContact NZ-OE1 3.38Å; K613-E616 PolarHBondContact NZ-OE1 2.87Å; K613-E616 PolarHBondContact O-N 3.25Å |
| 614 | A | 95.8 | Very high | 97.3 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 21% | 0.207 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -63.9 | -37.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K553 E616 R617 | K553-A614 HydrophobicContact CB-CB 3.94Å; K553-A614 WeakPolarHBondContact CB-O 3.41Å; K553-A614 WeakPolarHBondContact CD-O 3.25Å; K553-A614 VanDerWaalsContact CG-O 3.29Å; K553-A614 WeakPolarHBondContact CG-O 3.14Å; A614-E616 VanDerWaalsContact C-N 3.3Å; A614-E616 PolarHBondContact O-N 3.08Å; A614-R617 WeakPolarHBondContact O-CB 3.47Å; A614-R617 PolarHBondContact O-N 2.82Å |
| 615 | D | 95 | Very high | 97 | Very high | 129 Ų | 129 | 48.3 Ų | 48.3 | 69% | 0.69 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -69.4 | -23.1 | 179.1 | 55.6 | -45.6 | 0 | 0 | 0 | 113.8 | K613 R617 | K613-D615 VanDerWaalsContact C-N 3.33Å; K613-D615 WeakPolarHBondContact CB-OD1 3.17Å; K613-D615 PolarHBondContact O-N 3.32Å; D615-R617 VanDerWaalsContact C-N 3.33Å |
| 616 | E | 97.4 | Very high | 96.8 | Very high | 100 Ų | 100 | 51.1 Ų | 51.1 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -82.2 | -12.4 | 175.4 | -65.5 | -179.5 | -179.1 | 0 | 0 | 112.6 | L611 K613 A614 | L611-E616 HydrophobicContact CB-CB 4.45Å; L611-E616 HydrophobicContact CD1-CB 3.98Å; L611-E616 WeakPolarHBondContact CD1-O 3.4Å; K613-E616 HydrophobicContact CB-CB 4.19Å; K613-E616 HydrophobicContact CB-CG 3.91Å; K613-E616 HydrophobicContact CD-CG 4.05Å; K613-E616 WeakPolarHBondContact CD-OE1 3.41Å; K613-E616 IonicContact NZ-OE1 3.38Å; K613-E616 PolarHBondContact NZ-OE1 2.87Å; K613-E616 PolarHBondContact O-N 3.25Å; A614-E616 VanDerWaalsContact C-N 3.3Å; A614-E616 PolarHBondContact O-N 3.08Å |
| 617 | R | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -73.7 | 145.6 | 176.5 | -58.9 | 174 | -163.4 | 151.3 | 11.7 | 110.2 | E543 K553 I556 C609 L611 D612 A614 D615 | E543-R617 IonicContact OE1-CZ 3.75Å; E543-R617 VanDerWaalsContact OE1-CZ 3.3Å; E543-R617 IonicContact OE1-NH1 2.76Å; E543-R617 PolarHBondContact OE1-NH1 3.33Å; E543-R617 IonicContact OE1-NH2 3.56Å; E543-R617 PolarHBondContact OE1-NH2 2.91Å; E543-R617 VanDerWaalsContact OE1-NH2 3.11Å; E543-R617 IonicContact OE2-CZ 3.93Å; E543-R617 IonicContact OE2-NH1 3.53Å; E543-R617 IonicContact OE2-NH2 2.82Å; E543-R617 PolarHBondContact OE2-NH2 2.84Å; K553-R617 HydrophobicContact CD-CB 4.36Å; K553-R617 PolarHBondContact NZ-O 3.18Å; K553-R617 PolarHBondContact O-NH1 3.17Å; I556-R617 HydrophobicContact CG2-CB 3.96Å; C609-R617 WeakPolarHBondContact O-CD 3.48Å; L611-R617 HydrophobicContact CB-CG 4.08Å; L611-R617 PolarHBondContact O-NE 2.97Å; L611-R617 PolarHBondContact O-NH2 3.47Å; D612-R617 PolarHBondContact O-NH2 2.71Å; A614-R617 WeakPolarHBondContact O-CB 3.47Å; A614-R617 PolarHBondContact O-N 2.82Å; D615-R617 VanDerWaalsContact C-N 3.33Å |
| 618 | P | 98.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 164.9 | 178.1 | 28.3 | -35.5 | 0 | 0 | 0 | 112 | K553 I556 S608 E622 L623 | K553-P618 VanDerWaalsContact NZ-C 3.3Å; K553-P618 PolarHBondContact NZ-O 2.91Å; I556-P618 WeakPolarHBondContact CD1-O 3.43Å; I556-P618 WeakPolarHBondContact CG1-O 3.31Å; I556-P618 HydrophobicContact CG2-CG 4.26Å; S608-P618 WeakPolarHBondContact O-CD 3.37Å; P618-E622 WeakPolarHBondContact CA-OE2 3.4Å; P618-E622 HydrophobicContact CB-CB 4.28Å; P618-L623 HydrophobicContact CB-CD2 4.21Å; P618-L623 HydrophobicContact CB-CG 4.06Å; P618-L623 HydrophobicContact CG-CD1 4.14Å; P618-L623 HydrophobicContact CG-CD2 3.59Å; P618-L623 HydrophobicContact CG-CG 3.74Å |
| 619 | T | 98 | Very high | 95.7 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 162.1 | 164.9 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | Q621 E622 L623 | T619-Q621 PolarHBondContact O-N 2.87Å; T619-E622 PolarHBondContact N-OE2 3.5Å; T619-E622 PolarHBondContact O-N 2.98Å; T619-E622 WeakPolarHBondContact OG1-CB 3.43Å; T619-E622 VanDerWaalsContact OG1-CD 3.26Å; T619-E622 WeakPolarHBondContact OG1-CG 3.24Å; T619-E622 PolarHBondContact OG1-N 2.9Å; T619-E622 PolarHBondContact OG1-OE2 3.33Å; T619-L623 WeakPolarHBondContact O-CG 3.4Å; T619-L623 PolarHBondContact O-N 2.84Å |
| 620 | F | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -31.1 | 174.5 | -83.9 | -70.8 | 0 | 0 | 0 | 111.3 | T482 M485 A486 E489 L498 D555 I556 Y559 L623 S624 | T482-F620 HydrophobicContact CG2-CD1 4.19Å; M485-F620 HydrophobicContact CB-CD1 3.43Å; M485-F620 VanDerWaalsContact CB-CD1 3.43Å; M485-F620 HydrophobicContact CB-CD2 4Å; M485-F620 HydrophobicContact CB-CE1 3.38Å; M485-F620 HydrophobicContact CB-CE2 3.95Å; M485-F620 HydrophobicContact CB-CG 3.75Å; M485-F620 HydrophobicContact CB-CZ 3.65Å; M485-F620 HydrophobicContact CE-CD2 4.42Å; M485-F620 HydrophobicContact CE-CE1 4.46Å; M485-F620 HydrophobicContact CE-CE2 3.6Å; M485-F620 HydrophobicContact CE-CZ 3.63Å; M485-F620 HydrophobicContact CG-CD1 4.41Å; M485-F620 HydrophobicContact CG-CE1 3.89Å; M485-F620 HydrophobicContact CG-CZ 3.98Å; A486-F620 VanDerWaalsContact CA-CB 3.49Å; A486-F620 HydrophobicContact CB-CB 3.86Å; E489-F620 HydrophobicContact CB-CB 4.44Å; E489-F620 HydrophobicContact CB-CD2 4.19Å; E489-F620 PolarHBondContact OE1-N 3.43Å; E489-F620 WeakPolarHBondContact OE2-CB 3.36Å; E489-F620 PolarHBondContact OE2-N 3.38Å; L498-F620 HydrophobicContact CD2-CZ 4.28Å; D555-F620 HydrophobicContact CB-CE2 3.8Å; D555-F620 HydrophobicContact CB-CZ 3.99Å; I556-F620 HydrophobicContact CD1-CB 4.25Å; I556-F620 HydrophobicContact CD1-CD1 3.72Å; I556-F620 HydrophobicContact CD1-CD2 3.44Å; I556-F620 VanDerWaalsContact CD1-CD2 3.44Å; I556-F620 HydrophobicContact CD1-CE1 3.83Å; I556-F620 HydrophobicContact CD1-CE2 3.55Å; I556-F620 HydrophobicContact CD1-CG 3.52Å; I556-F620 HydrophobicContact CD1-CZ 3.75Å; I556-F620 HydrophobicContact CG1-CD2 4.12Å; I556-F620 HydrophobicContact CG1-CE2 3.9Å; I556-F620 HydrophobicContact CG1-CZ 4.24Å; Y559-F620 HydrophobicContact CD1-CE1 4.49Å; Y559-F620 HydrophobicContact CD2-CE1 4.11Å; Y559-F620 AromaticContact CG-CE1 3.85Å; Y559-F620 HydrophobicContact CG-CE1 3.85Å; F620-L623 HydrophobicContact CD1-CD1 4.32Å; F620-L623 PolarHBondContact O-N 3Å; F620-S624 VanDerWaalsContact O-CB 3.31Å; F620-S624 WeakPolarHBondContact O-CB 3.26Å; F620-S624 PolarHBondContact O-N 3Å |
| 621 | Q | 95.8 | Very high | 94.8 | Very high | 116 Ų | 116 | 54.3 Ų | 54.3 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 173.5 | -172.9 | 61.6 | 22.2 | 0 | 0 | 112.1 | T619 S624 V625 | T619-Q621 PolarHBondContact O-N 2.87Å; Q621-S624 PolarHBondContact O-N 3.45Å; Q621-V625 WeakPolarHBondContact O-CG2 3.34Å; Q621-V625 PolarHBondContact O-N 2.82Å; Q621-V625 VanDerWaalsContact O-N 3.14Å |
| 622 | E | 97.2 | Very high | 94 | Very high | 104 Ų | 104 | 55.9 Ų | 55.9 | 49% | 0.486 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.7 | -72 | 162.4 | 148.8 | 0 | 0 | 112 | P618 T619 T626 | P618-E622 WeakPolarHBondContact CA-OE2 3.4Å; P618-E622 HydrophobicContact CB-CB 4.28Å; T619-E622 PolarHBondContact N-OE2 3.5Å; T619-E622 PolarHBondContact O-N 2.98Å; T619-E622 WeakPolarHBondContact OG1-CB 3.43Å; T619-E622 VanDerWaalsContact OG1-CD 3.26Å; T619-E622 WeakPolarHBondContact OG1-CG 3.24Å; T619-E622 PolarHBondContact OG1-N 2.9Å; T619-E622 PolarHBondContact OG1-OE2 3.33Å; E622-T626 WeakPolarHBondContact O-CB 3.43Å; E622-T626 PolarHBondContact O-N 3.01Å; E622-T626 PolarHBondContact O-OG1 3.37Å |
| 623 | L | 97.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.6 | -73.6 | 177.2 | 0 | 0 | 0 | 111.6 | T482 I556 Y559 I605 P618 T619 F620 V625 T626 V627 | T482-L623 HydrophobicContact CG2-CB 3.69Å; I556-L623 HydrophobicContact CD1-CD1 3.56Å; I556-L623 HydrophobicContact CG2-CD1 4.18Å; Y559-L623 HydrophobicContact CD1-CD1 3.76Å; Y559-L623 HydrophobicContact CE1-CD1 3.96Å; I605-L623 HydrophobicContact CG2-CD2 3.74Å; P618-L623 HydrophobicContact CB-CD2 4.21Å; P618-L623 HydrophobicContact CB-CG 4.06Å; P618-L623 HydrophobicContact CG-CD1 4.14Å; P618-L623 HydrophobicContact CG-CD2 3.59Å; P618-L623 HydrophobicContact CG-CG 3.74Å; T619-L623 WeakPolarHBondContact O-CG 3.4Å; T619-L623 PolarHBondContact O-N 2.84Å; F620-L623 HydrophobicContact CD1-CD1 4.32Å; F620-L623 PolarHBondContact O-N 3Å; L623-V625 PolarHBondContact O-N 2.91Å; L623-T626 PolarHBondContact O-N 2.81Å; L623-V627 WeakPolarHBondContact O-CB 3.21Å; L623-V627 VanDerWaalsContact O-CG2 3.28Å; L623-V627 WeakPolarHBondContact O-CG2 3.25Å; L623-V627 PolarHBondContact O-N 3.36Å |
| 624 | S | 93.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.119 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | -179.6 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | F620 Q621 T626 V627 Q628 | F620-S624 VanDerWaalsContact O-CB 3.31Å; F620-S624 WeakPolarHBondContact O-CB 3.26Å; F620-S624 PolarHBondContact O-N 3Å; Q621-S624 PolarHBondContact O-N 3.45Å; S624-T626 PolarHBondContact O-N 2.91Å; S624-V627 PolarHBondContact O-N 2.83Å; S624-Q628 VanDerWaalsContact O-CB 3.22Å; S624-Q628 WeakPolarHBondContact O-CB 3.39Å; S624-Q628 PolarHBondContact O-N 3.23Å |
| 625 | V | 92.1 | Very high | 91.6 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 42% | 0.424 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 175 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | Q621 L623 V627 Q628 D629 | Q621-V625 WeakPolarHBondContact O-CG2 3.34Å; Q621-V625 PolarHBondContact O-N 2.82Å; Q621-V625 VanDerWaalsContact O-N 3.14Å; L623-V625 PolarHBondContact O-N 2.91Å; V625-V627 PolarHBondContact O-N 3.26Å; V625-Q628 PolarHBondContact O-N 2.91Å; V625-D629 WeakPolarHBondContact O-CB 3.45Å; V625-D629 PolarHBondContact O-N 3.35Å |
| 626 | T | 95.6 | Very high | 91.5 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | -178.1 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | I605 E622 L623 S624 L630 | I605-T626 HydrophobicContact CD1-CG2 3.99Å; I605-T626 HydrophobicContact CG1-CG2 4.02Å; E622-T626 WeakPolarHBondContact O-CB 3.43Å; E622-T626 PolarHBondContact O-N 3.01Å; E622-T626 PolarHBondContact O-OG1 3.37Å; L623-T626 PolarHBondContact O-N 2.81Å; S624-T626 PolarHBondContact O-N 2.91Å; T626-L630 WeakPolarHBondContact O-CB 3.47Å; T626-L630 PolarHBondContact O-N 2.67Å |
| 627 | V | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 178 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | L475 K479 I605 L623 S624 V625 L630 L631 | L475-V627 HydrophobicContact CD1-CG1 3.92Å; L475-V627 HydrophobicContact CG-CG1 4.14Å; K479-V627 HydrophobicContact CB-CG1 3.81Å; I605-V627 HydrophobicContact CD1-CG2 4.08Å; I605-V627 HydrophobicContact CG2-CG2 4.43Å; L623-V627 WeakPolarHBondContact O-CB 3.21Å; L623-V627 VanDerWaalsContact O-CG2 3.28Å; L623-V627 WeakPolarHBondContact O-CG2 3.25Å; L623-V627 PolarHBondContact O-N 3.36Å; S624-V627 PolarHBondContact O-N 2.83Å; V625-V627 PolarHBondContact O-N 3.26Å; V627-L630 PolarHBondContact O-N 2.93Å; V627-L631 HydrophobicContact CG1-CD1 4.24Å; V627-L631 WeakPolarHBondContact O-CB 3.28Å; V627-L631 WeakPolarHBondContact O-CG 3.49Å; V627-L631 PolarHBondContact O-N 3.13Å |
| 628 | Q | 88.6 | Confident | 90.8 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.5 | -178.4 | 57 | 44.9 | 0 | 0 | 112.2 | K479 S624 V625 L631 Y632 | K479-Q628 VanDerWaalsContact CD-OE1 3.24Å; S624-Q628 VanDerWaalsContact O-CB 3.22Å; S624-Q628 WeakPolarHBondContact O-CB 3.39Å; S624-Q628 PolarHBondContact O-N 3.23Å; V625-Q628 PolarHBondContact O-N 2.91Å; Q628-L631 WeakPolarHBondContact O-CB 3.29Å; Q628-L631 PolarHBondContact O-N 3.5Å; Q628-Y632 PolarHBondContact O-N 3.49Å |
| 629 | D | 89 | Confident | 90.3 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.5 | -74.2 | -18 | 0 | 0 | 0 | 110.9 | V625 L631 Y632 E633 | V625-D629 WeakPolarHBondContact O-CB 3.45Å; V625-D629 PolarHBondContact O-N 3.35Å; D629-L631 VanDerWaalsContact C-N 3.32Å; D629-L631 PolarHBondContact O-N 3.25Å; D629-Y632 WeakPolarHBondContact O-CB 3.46Å; D629-Y632 PolarHBondContact O-N 3.38Å; D629-Y632 VanDerWaalsContact O-N 3.13Å; D629-E633 WeakPolarHBondContact O-CG 3.28Å; D629-E633 PolarHBondContact O-N 3.02Å |
| 630 | L | 91.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 176.3 | -179.3 | 60.4 | 0 | 0 | 0 | 112.1 | L475 R601 V602 I605 T626 V627 Y632 E633 L634 | L475-L630 HydrophobicContact CD2-CB 4.22Å; L475-L630 HydrophobicContact CD2-CD2 3.84Å; L475-L630 HydrophobicContact CD2-CG 3.73Å; R601-L630 HydrophobicContact CB-CD1 3.97Å; R601-L630 HydrophobicContact CB-CD2 4.21Å; V602-L630 HydrophobicContact CG2-CD2 3.78Å; I605-L630 HydrophobicContact CD1-CD2 3.73Å; T626-L630 WeakPolarHBondContact O-CB 3.47Å; T626-L630 PolarHBondContact O-N 2.67Å; V627-L630 PolarHBondContact O-N 2.93Å; L630-Y632 VanDerWaalsContact C-N 3.31Å; L630-Y632 PolarHBondContact O-N 3.25Å; L630-E633 PolarHBondContact O-N 2.52Å; L630-L634 HydrophobicContact CD1-CD1 4.05Å; L630-L634 HydrophobicContact CD1-CG 4.22Å; L630-L634 HydrophobicContact CG-CD1 4.02Å; L630-L634 VanDerWaalsContact O-CG 3.28Å; L630-L634 WeakPolarHBondContact O-CG 3.48Å; L630-L634 PolarHBondContact O-N 3.47Å |
| 631 | L | 87.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 173.2 | -85.9 | 168.5 | 0 | 0 | 0 | 111.6 | I472 L475 E476 K479 V627 Q628 D629 E633 L634 Q635 | I472-L631 HydrophobicContact CG2-CD2 4.04Å; L475-L631 HydrophobicContact CB-CD2 3.72Å; L475-L631 HydrophobicContact CB-CG 4.25Å; L475-L631 HydrophobicContact CD2-CB 4.49Å; L475-L631 HydrophobicContact CD2-CD2 3.76Å; L475-L631 HydrophobicContact CD2-CG 3.65Å; L475-L631 HydrophobicContact CG-CD1 4.35Å; L475-L631 HydrophobicContact CG-CD2 3.76Å; L475-L631 HydrophobicContact CG-CG 3.71Å; E476-L631 HydrophobicContact CG-CD1 4.34Å; E476-L631 HydrophobicContact CG-CD2 3.76Å; K479-L631 HydrophobicContact CB-CD1 3.72Å; K479-L631 HydrophobicContact CD-CD1 3.64Å; K479-L631 HydrophobicContact CG-CD1 4.09Å; V627-L631 HydrophobicContact CG1-CD1 4.24Å; V627-L631 WeakPolarHBondContact O-CB 3.28Å; V627-L631 WeakPolarHBondContact O-CG 3.49Å; V627-L631 PolarHBondContact O-N 3.13Å; Q628-L631 WeakPolarHBondContact O-CB 3.29Å; Q628-L631 PolarHBondContact O-N 3.5Å; D629-L631 VanDerWaalsContact C-N 3.32Å; D629-L631 PolarHBondContact O-N 3.25Å; L631-E633 VanDerWaalsContact C-N 3.32Å; L631-E633 PolarHBondContact O-N 3.48Å; L631-L634 PolarHBondContact O-N 3.21Å; L631-Q635 WeakPolarHBondContact O-CG 3.48Å; L631-Q635 PolarHBondContact O-N 3.36Å |
| 632 | Y | 79.8 | Confident | 88.8 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 178.5 | 179.1 | -109.8 | 0 | 0 | 0 | 112.3 | S286 K287 Q628 D629 L630 L634 | S286-Y632 WeakPolarHBondContact OG-CD2 3.46Å; S286-Y632 WeakPolarHBondContact OG-CE2 3.27Å; K287-Y632 WeakPolarHBondContact CE-OH 3.21Å; K287-Y632 PolarHBondContact NZ-OH 3.4Å; Q628-Y632 PolarHBondContact O-N 3.49Å; D629-Y632 WeakPolarHBondContact O-CB 3.46Å; D629-Y632 PolarHBondContact O-N 3.38Å; D629-Y632 VanDerWaalsContact O-N 3.13Å; L630-Y632 VanDerWaalsContact C-N 3.31Å; L630-Y632 PolarHBondContact O-N 3.25Å; Y632-L634 VanDerWaalsContact C-N 3.32Å; Y632-L634 PolarHBondContact O-N 3.43Å |
| 633 | E | 83.1 | Confident | 88.2 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72 | -24.5 | 179.7 | -69.7 | -178.5 | -124.3 | 0 | 0 | 113.9 | R601 D629 L630 L631 | R601-E633 IonicContact CZ-OE1 2.74Å; R601-E633 IonicContact CZ-OE2 2.67Å; R601-E633 VanDerWaalsContact CZ-OE2 3.27Å; R601-E633 IonicContact NH1-OE1 2.77Å; R601-E633 IonicContact NH1-OE2 2.96Å; R601-E633 PolarHBondContact NH1-OE2 3.31Å; R601-E633 IonicContact NH2-OE1 2.83Å; R601-E633 PolarHBondContact NH2-OE1 3.37Å; R601-E633 IonicContact NH2-OE2 3.06Å; R601-E633 PolarHBondContact NH2-OE2 2.74Å; R601-E633 VanDerWaalsContact NH2-OE2 3.12Å; D629-E633 WeakPolarHBondContact O-CG 3.28Å; D629-E633 PolarHBondContact O-N 3.02Å; L630-E633 PolarHBondContact O-N 2.52Å; L631-E633 VanDerWaalsContact C-N 3.32Å; L631-E633 PolarHBondContact O-N 3.48Å |
| 634 | L | 79.2 | Confident | 87.4 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -90.3 | -14.3 | -179.1 | -67.2 | 174.9 | 0 | 0 | 0 | 113.6 | I472 L475 L630 L631 Y632 | I472-L634 HydrophobicContact CD1-CB 4.35Å; I472-L634 VanDerWaalsContact CD1-O 3.26Å; I472-L634 WeakPolarHBondContact CD1-O 3.41Å; I472-L634 HydrophobicContact CG1-CB 4.17Å; L475-L634 HydrophobicContact CD2-CD1 4Å; L630-L634 HydrophobicContact CD1-CD1 4.05Å; L630-L634 HydrophobicContact CD1-CG 4.22Å; L630-L634 HydrophobicContact CG-CD1 4.02Å; L630-L634 VanDerWaalsContact O-CG 3.28Å; L630-L634 WeakPolarHBondContact O-CG 3.48Å; L630-L634 PolarHBondContact O-N 3.47Å; L631-L634 PolarHBondContact O-N 3.21Å; Y632-L634 VanDerWaalsContact C-N 3.32Å; Y632-L634 PolarHBondContact O-N 3.43Å |
| 635 | Q | 74.1 | Confident | 86.8 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | trans | -91.7 | 0 | 179.7 | -76.4 | -178.6 | 2 | 0 | 0 | 112.6 | R264 I472 E476 L631 | R264-Q635 PolarHBondContact NH1-O 3.24Å; I472-Q635 HydrophobicContact CG2-CG 4.18Å; E476-Q635 PolarHBondContact OE1-NE2 2.85Å; L631-Q635 WeakPolarHBondContact O-CG 3.48Å; L631-Q635 PolarHBondContact O-N 3.36Å |
Retrieved 635 of 635 residues in 220 ms
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