| 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 | 30.6 | Very low | 25.5 | Very low | 224 Ų | 224 | 150 Ų | 150 | 100% | 1.103 | 78% | 0.783 | S | S | * | * | 0 | 97.1 | 0 | -78.4 | 166.8 | 71.9 | 0 | 0 | 106.7 | |||||
| 2 | H | 25.9 | Very low | 25.4 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | 69.2 | 126.1 | 101.9 | -74.9 | -32.6 | 0 | 0 | 0 | 111.4 | |||||
| 3 | L | 25.6 | Very low | 25.4 | Very low | 139 Ų | 139 | 160.9 Ų | 160.9 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | cis | -160.8 | 131.7 | 15.8 | -131 | 90 | 0 | 0 | 0 | 106.1 | ||||
| 4 | L | 26.1 | Very low | 25.5 | Very low | 138 Ų | 138 | 157 Ų | 157 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | 37.8 | 117.8 | 108 | -92.7 | 133.5 | 0 | 0 | 0 | 117.4 | L6 | L4-L6 HydrophobicContact CD2-CD1 3.66Š| |||
| 5 | S | 24.7 | Very low | 25.8 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | -154 | 114.7 | 125.4 | -140.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 6 | L | 24.1 | Very low | 26 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | -72.2 | 138.3 | 167.3 | -89.5 | 88.6 | 0 | 0 | 0 | 109.5 | L4 V8 | L4-L6 HydrophobicContact CD2-CD1 3.66Å; L6-V8 HydrophobicContact CD2-CG2 3.96Å | ||
| 7 | I | 25.6 | Very low | 26.2 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -123.4 | 110.7 | 149.8 | -64.5 | -179.8 | 0 | 0 | 0 | 107.1 | F9 | I7-F9 HydrophobicContact CG2-CD2 4Å; I7-F9 HydrophobicContact CG2-CE2 4.15Å | ||
| 8 | V | 24 | Very low | 26.6 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -79 | 113.4 | 173.5 | 174 | 0 | 0 | 0 | 0 | 107.6 | L6 | L6-V8 HydrophobicContact CD2-CG2 3.96Š| ||
| 9 | F | 25.1 | Very low | 27.3 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | trans | -99.3 | 104 | 159 | -99.8 | -87.1 | 0 | 0 | 0 | 108.2 | I7 F11 | I7-F9 HydrophobicContact CG2-CD2 4Å; I7-F9 HydrophobicContact CG2-CE2 4.15Å; F9-F11 PolarHBondContact O-N 3.15Å; F9-F11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | S | 22.7 | Very low | 27.9 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 103.1 | 170.8 | 46 | 0 | 0 | 0 | 0 | 110.1 | W12 | S10-W12 PolarHBondContact O-N 3.33Š| ||
| 11 | F | 26 | Very low | 28.7 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -71.4 | 113 | 163.8 | -93.9 | -91.9 | 0 | 0 | 0 | 108.9 | F9 F13 | F9-F11 PolarHBondContact O-N 3.15Å; F9-F11 VanDerWaalsContact O-N 3.15Å; F11-F13 PolarHBondContact O-N 3.06Å | ||
| 12 | W | 24.5 | Very low | 30 | Very low | 243 Ų | 243 | 146.5 Ų | 146.5 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | trans | -61.3 | 103.3 | 160 | -99.3 | 47.1 | 0 | 0 | 0 | 108.4 | S10 S14 | S10-W12 PolarHBondContact O-N 3.33Å; W12-S14 VanDerWaalsContact C-N 3.27Å; W12-S14 PolarHBondContact O-N 3.2Å | ||
| 13 | F | 24.9 | Very low | 32.3 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | trans | -65.7 | 93 | 160.2 | -95.2 | -92.8 | 0 | 0 | 0 | 107.7 | F11 S15 | F11-F13 PolarHBondContact O-N 3.06Å; F13-S15 PolarHBondContact O-N 2.95Å | ||
| 14 | S | 27.6 | Very low | 35.2 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -62.1 | 113.4 | 154.3 | 173.3 | 0 | 0 | 0 | 0 | 106.3 | W12 G16 | W12-S14 VanDerWaalsContact C-N 3.27Å; W12-S14 PolarHBondContact O-N 3.2Å; S14-G16 VanDerWaalsContact C-N 3.26Å; S14-G16 PolarHBondContact O-N 3.18Å | ||
| 15 | S | 29 | Very low | 38.6 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -58.4 | 87.3 | 174.5 | 56.6 | 0 | 0 | 0 | 0 | 110 | F13 K17 | F13-S15 PolarHBondContact O-N 2.95Å; S15-K17 PolarHBondContact O-N 2.79Å | ||
| 16 | G | 29.3 | Very low | 42 | Very low | 61 Ų | 61 | 133.2 Ų | 133.2 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | trans | -60.5 | 115.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107 | S14 T18 | S14-G16 VanDerWaalsContact C-N 3.26Å; S14-G16 PolarHBondContact O-N 3.18Å; G16-T18 PolarHBondContact O-N 2.88Å | ||
| 17 | K | 30.4 | Very low | 45.6 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | trans | -52.7 | 104.8 | 165.4 | -82.9 | 178.9 | 172.5 | 178.8 | 0 | 107.7 | S15 F19 | S15-K17 PolarHBondContact O-N 2.79Å; K17-F19 PolarHBondContact O-N 3.47Å | ||
| 18 | T | 33.1 | Very low | 49.1 | Very low | 137 Ų | 137 | 120.3 Ų | 120.3 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | trans | -59.1 | 102.7 | 157 | 42.8 | 0 | 0 | 0 | 0 | 106.3 | G16 G20 | G16-T18 PolarHBondContact O-N 2.88Å; T18-G20 PolarHBondContact O-N 3.04Å | ||
| 19 | F | 40 | Very low | 52.6 | Low | 181 Ų | 181 | 115 Ų | 115 | 79% | 0.794 | 60% | 0.601 | S | S | * | * | trans | -64 | 130.8 | 167.5 | -93.4 | -92.2 | 0 | 0 | 0 | 107.7 | K17 | K17-F19 PolarHBondContact O-N 3.47Š| ||
| 20 | G | 39 | Very low | 56.1 | Low | 57 Ų | 57 | 106.4 Ų | 106.4 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | trans | -57.5 | 137.3 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T18 D22 | T18-G20 PolarHBondContact O-N 3.04Å; G20-D22 PolarHBondContact O-N 2.79Å | ||
| 21 | E | 45.5 | Very low | 59.7 | Low | 205 Ų | 205 | 101.8 Ų | 101.8 | 96% | 0.958 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 7.2 | 176.4 | -76.2 | 178.4 | 139.9 | 0 | 0 | 114.4 | ||
| 22 | D | 57.5 | Low | 63.2 | Low | 164 Ų | 164 | 93 Ų | 93 | 88% | 0.877 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 4.5 | -171 | -85.2 | -23.5 | 0 | 0 | 0 | 115.9 | G20 | G20-D22 PolarHBondContact O-N 2.79Š|
| 23 | Q | 73.4 | Confident | 66.6 | Low | 156 Ų | 156 | 81.4 Ų | 81.4 | 73% | 0.729 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 126.7 | 177.1 | -70.1 | -157.4 | -15.1 | 0 | 0 | 112.8 | ||
| 24 | P | 86.6 | Confident | 70.1 | Confident | 57 Ų | 57 | 72 Ų | 72 | 37% | 0.37 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 151.5 | 179.3 | 27.9 | -34.2 | 0 | 0 | 0 | 111.4 | Q26 G315 T317 | P24-Q26 PolarHBondContact O-N 3.13Å; P24-G315 WeakPolarHBondContact CA-O 3.42Å; P24-T317 HydrophobicContact CB-CG2 4.26Å; P24-T317 HydrophobicContact CG-CG2 3.97Å |
| 25 | I | 96.8 | Very high | 73.4 | Confident | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 120.1 | 173.6 | -61.2 | 161 | 0 | 0 | 0 | 108.3 | T27 I268 K269 A272 L280 G315 V316 T317 | I25-T27 PolarHBondContact O-N 3.46Å; I25-I268 HydrophobicContact CB-CG2 4.41Å; I25-I268 HydrophobicContact CD1-CG2 4.48Å; I25-I268 HydrophobicContact CG2-CG2 3.92Å; I25-K269 HydrophobicContact CD1-CG 3.97Å; I25-A272 HydrophobicContact CD1-CB 3.7Å; I25-A272 HydrophobicContact CG1-CB 4.26Å; I25-A272 HydrophobicContact CG2-CB 3.99Å; I25-L280 HydrophobicContact CG2-CB 4.09Å; I25-G315 PolarHBondContact N-O 3.38Å; I25-G315 VanDerWaalsContact N-O 3.14Å; I25-V316 HydrophobicContact CB-CG1 4.19Å; I25-V316 HydrophobicContact CD1-CG1 4.29Å; I25-V316 WeakPolarHBondContact O-CA 3.38Å; I25-T317 PolarHBondContact O-N 2.96Å |
| 26 | Q | 97.8 | Very high | 76.7 | Confident | 57 Ų | 57 | 62 Ų | 62 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 112.5 | 175.3 | -173.8 | -177 | 15.7 | 0 | 0 | 109.5 | P24 F28 N278 H279 L280 Q319 | P24-Q26 PolarHBondContact O-N 3.13Å; Q26-F28 HydrophobicContact CB-CE2 4.45Å; Q26-F28 HydrophobicContact CG-CE2 3.83Å; Q26-F28 HydrophobicContact CG-CZ 4.17Å; Q26-N278 PolarHBondContact N-O 2.76Å; Q26-H279 WeakPolarHBondContact O-CA 3.4Å; Q26-H279 PolarHBondContact OE1-CE1 2.66Å; Q26-H279 PolarHBondContact OE1-ND1 2.8Å; Q26-L280 PolarHBondContact O-N 3.3Å; Q26-Q319 VanDerWaalsContact NE2-NE2 3.15Å |
| 27 | T | 98.5 | Very high | 80 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123 | -176 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | I25 V29 I268 L280 W282 T317 V318 Q319 | I25-T27 PolarHBondContact O-N 3.46Å; T27-V29 HydrophobicContact CG2-CG2 4.47Å; T27-I268 HydrophobicContact CG2-CD1 3.82Å; T27-I268 HydrophobicContact CG2-CG1 3.94Å; T27-I268 VanDerWaalsContact OG1-CG2 3.26Å; T27-I268 WeakPolarHBondContact OG1-CG2 3.27Å; T27-L280 WeakPolarHBondContact CA-O 3.46Å; T27-L280 HydrophobicContact CG2-CD2 4.38Å; T27-W282 HydrophobicContact CG2-CB 3.46Å; T27-W282 VanDerWaalsContact CG2-CB 3.46Å; T27-W282 HydrophobicContact CG2-CG 4.23Å; T27-T317 WeakPolarHBondContact CA-O 3.42Å; T27-T317 VanDerWaalsContact CB-O 3.22Å; T27-T317 WeakPolarHBondContact CB-O 3.31Å; T27-T317 PolarHBondContact N-O 3Å; T27-T317 PolarHBondContact OG1-O 2.98Å; T27-V318 HydrophobicContact CG2-CG1 4.39Å; T27-V318 WeakPolarHBondContact O-CA 3.26Å; T27-Q319 PolarHBondContact O-N 3.3Å |
| 28 | F | 98.7 | Very high | 83.1 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 102.1 | 173.9 | -64.9 | -101.2 | 0 | 0 | 0 | 107.6 | Q26 I30 H279 L280 W282 A321 E325 Y326 S329 | Q26-F28 HydrophobicContact CB-CE2 4.45Å; Q26-F28 HydrophobicContact CG-CE2 3.83Å; Q26-F28 HydrophobicContact CG-CZ 4.17Å; F28-I30 HydrophobicContact CB-CD1 4.1Å; F28-H279 HydrophobicContact CD2-CB 4.39Å; F28-H279 HydrophobicContact CE2-CB 3.84Å; F28-H279 AromaticContact CE2-ND1 3.8Å; F28-L280 PolarHBondContact N-O 3.36Å; F28-W282 PolarHBondContact O-N 2.69Å; F28-A321 HydrophobicContact CB-CB 3.86Å; F28-A321 HydrophobicContact CD1-CB 3.62Å; F28-A321 HydrophobicContact CG-CB 4.22Å; F28-E325 HydrophobicContact CD1-CB 4.5Å; F28-Y326 HydrophobicContact CB-CD2 4.24Å; F28-Y326 AromaticContact CD2-CD2 3.94Å; F28-Y326 HydrophobicContact CD2-CD2 3.94Å; F28-Y326 HydrophobicContact CG-CD2 4.11Å; F28-S329 WeakPolarHBondContact CE1-OG 3.2Å; F28-S329 WeakPolarHBondContact CZ-OG 3.38Å |
| 29 | V | 98.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.4 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 108 | T27 P31 M264 W282 W284 M304 V318 Q319 Y320 A321 | T27-V29 HydrophobicContact CG2-CG2 4.47Å; V29-P31 HydrophobicContact CG1-CG 4.46Å; V29-P31 VanDerWaalsContact O-CD 3.25Å; V29-P31 WeakPolarHBondContact O-CD 3.43Å; V29-M264 HydrophobicContact CG2-CE 3.65Å; V29-W282 WeakPolarHBondContact CA-O 3.16Å; V29-W284 HydrophobicContact CG1-CB 3.83Å; V29-W284 HydrophobicContact CG1-CD2 4.17Å; V29-W284 HydrophobicContact CG1-CE3 3.48Å; V29-W284 VanDerWaalsContact CG1-CE3 3.48Å; V29-W284 HydrophobicContact CG1-CG 4.35Å; V29-W284 HydrophobicContact CG1-CZ3 4.39Å; V29-W284 HydrophobicContact CG2-CE3 4.39Å; V29-M304 HydrophobicContact CB-CE 4.07Å; V29-M304 HydrophobicContact CG1-CE 4.44Å; V29-M304 HydrophobicContact CG1-SD 4.4Å; V29-M304 HydrophobicContact CG2-CE 3.97Å; V29-V318 HydrophobicContact CG2-CB 4.19Å; V29-Q319 WeakPolarHBondContact CB-O 3.08Å; V29-Q319 PolarHBondContact N-O 2.87Å; V29-Y320 HydrophobicContact CG1-CD1 4.43Å; V29-A321 PolarHBondContact O-N 3.07Å |
| 30 | I | 98.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 93.3 | -176.3 | -45.4 | -57.8 | 0 | 0 | 0 | 110.9 | F28 H32 I71 L281 W282 W284 A321 T322 | F28-I30 HydrophobicContact CB-CD1 4.1Å; I30-H32 PolarHBondContact O-N 3.04Å; I30-H32 PolarHBondContact O-ND1 3.45Å; I30-I71 HydrophobicContact CG2-CD1 3.38Å; I30-I71 HydrophobicContact CG2-CG1 3.85Å; I30-I71 HydrophobicContact CG2-CG2 3.92Å; I30-L281 HydrophobicContact CG1-CD1 4.44Å; I30-L281 HydrophobicContact CG1-CD2 4.34Å; I30-L281 HydrophobicContact CG1-CG 3.9Å; I30-W282 PolarHBondContact N-O 2.91Å; I30-W284 PolarHBondContact O-N 3.43Å; I30-A321 HydrophobicContact CD1-CB 3.83Å; I30-A321 WeakPolarHBondContact CD1-O 3.49Å; I30-T322 WeakPolarHBondContact CD1-O 3.46Å |
| 31 | P | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 125.8 | 175.3 | -24.3 | 37.8 | 0 | 0 | 0 | 111.8 | V29 R69 F70 I71 W284 F290 F297 M300 Y320 | V29-P31 HydrophobicContact CG1-CG 4.46Å; V29-P31 VanDerWaalsContact O-CD 3.25Å; V29-P31 WeakPolarHBondContact O-CD 3.43Å; P31-R69 WeakPolarHBondContact CB-O 2.88Å; P31-R69 VanDerWaalsContact CG-O 3.28Å; P31-R69 WeakPolarHBondContact CG-O 3.47Å; P31-F70 HydrophobicContact CB-CD2 3.74Å; P31-F70 HydrophobicContact CB-CE2 4.32Å; P31-F70 WeakPolarHBondContact O-CD2 3.34Å; P31-I71 WeakPolarHBondContact O-CG1 3.35Å; P31-I71 PolarHBondContact O-N 2.86Å; P31-W284 VanDerWaalsContact CA-O 3.27Å; P31-W284 WeakPolarHBondContact CA-O 3.28Å; P31-F290 HydrophobicContact CB-CE1 4.04Å; P31-F290 HydrophobicContact CB-CZ 3.84Å; P31-F297 HydrophobicContact CG-CE1 4.41Å; P31-M300 HydrophobicContact CG-CE 4.09Å; P31-Y320 HydrophobicContact CG-CD1 3.74Å; P31-Y320 HydrophobicContact CG-CE1 3.98Å |
| 32 | H | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -151.1 | 167.8 | 178.8 | 72.6 | -75.9 | 0 | 0 | 0 | 111.6 | I30 I71 Y214 W284 G285 F290 | I30-H32 PolarHBondContact O-N 3.04Å; I30-H32 PolarHBondContact O-ND1 3.45Å; H32-I71 HydrophobicContact CB-CD1 3.65Å; H32-I71 HydrophobicContact CB-CG1 3.45Å; H32-I71 VanDerWaalsContact CB-CG1 3.45Å; H32-Y214 PolarHBondContact CE1-O 2.99Å; H32-Y214 PolarHBondContact NE2-O 2.62Å; H32-W284 PolarHBondContact N-O 2.84Å; H32-G285 WeakPolarHBondContact CE1-CA 3.49Å; H32-G285 PolarHBondContact CE1-N 2.71Å; H32-G285 VanDerWaalsContact O-CA 3.31Å; H32-G285 WeakPolarHBondContact O-CA 3.29Å; H32-F290 VanDerWaalsContact O-CD2 3.26Å; H32-F290 WeakPolarHBondContact O-CD2 3.27Å | ||
| 33 | S | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | trans | -134.2 | 126.3 | 168.4 | -170.5 | 0 | 0 | 0 | 0 | 107.8 | Q289 | S33-Q289 VanDerWaalsContact CB-O 3.23Å; S33-Q289 WeakPolarHBondContact CB-O 3.46Å; S33-Q289 PolarHBondContact OG-N 3.2Å; S33-Q289 PolarHBondContact OG-O 2.72Å | ||
| 34 | H | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 125 | 171.9 | -171.1 | 47.7 | 0 | 0 | 0 | 109.1 | D36 E74 D149 Y214 C286 D287 K288 H418 | H34-D36 IonicContact CD2-OD1 3.07Å; H34-D36 IonicContact CE1-OD1 3.87Å; H34-D36 IonicContact NE2-OD1 2.92Å; H34-D36 PolarHBondContact NE2-OD1 3.35Å; H34-E74 IonicContact CE1-OE1 3.95Å; H34-E74 IonicContact ND1-OE1 2.62Å; H34-E74 PolarHBondContact ND1-OE1 3.14Å; H34-D149 VanDerWaalsContact NE2-CB 3.28Å; H34-D149 WeakPolarHBondContact NE2-CB 3.27Å; H34-D149 IonicContact NE2-OD2 3.5Å; H34-Y214 HydrophobicContact CB-CE2 4.26Å; H34-C286 PolarHBondContact N-O 3.47Å; H34-D287 IonicContact CD2-OD1 3.95Å; H34-K288 PolarHBondContact O-N 3.34Å; H34-H418 AromaticContact CE1-CE1 3.61Å; H34-H418 AromaticContact CE1-NE2 3.84Å; H34-H418 AromaticContact NE2-CE1 3.82Å; H34-H418 AromaticContact NE2-NE2 3.59Å |
| 35 | M | 97 | Very high | 97.5 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | trans | -132.3 | 96.5 | -171 | -54.5 | -170 | -81 | 0 | 0 | 110.3 | V37 Y50 A51 V54 Y55 E74 F77 | M35-V37 PolarHBondContact O-N 2.95Å; M35-Y50 WeakPolarHBondContact CA-OH 3.27Å; M35-Y50 HydrophobicContact CB-CE2 4.29Å; M35-Y50 HydrophobicContact CG-CE2 3.78Å; M35-Y50 HydrophobicContact SD-CE2 3.97Å; M35-A51 HydrophobicContact SD-CB 4.09Å; M35-V54 HydrophobicContact CE-CG1 4.43Å; M35-V54 HydrophobicContact SD-CB 4.13Å; M35-V54 HydrophobicContact SD-CG1 4.21Å; M35-V54 HydrophobicContact SD-CG2 3.98Å; M35-Y55 HydrophobicContact CE-CE1 3.98Å; M35-Y55 HydrophobicContact CE-CE2 3.8Å; M35-Y55 WeakPolarHBondContact CE-OH 3.38Å; M35-E74 WeakPolarHBondContact O-CG 3.34Å; M35-F77 HydrophobicContact CB-CD2 3.75Å; M35-F77 HydrophobicContact CB-CE2 3.9Å; M35-F77 WeakPolarHBondContact O-CE2 3.3Å | ||
| 36 | D | 97.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.032 | 9% | 0.093 | C | C | . | . | trans | -64.4 | 127.4 | -178.1 | -53 | -48.4 | 0 | 0 | 0 | 111.9 | H34 G38 W39 F77 H417 H418 | H34-D36 IonicContact CD2-OD1 3.07Å; H34-D36 IonicContact CE1-OD1 3.87Å; H34-D36 IonicContact NE2-OD1 2.92Å; H34-D36 PolarHBondContact NE2-OD1 3.35Å; D36-G38 PolarHBondContact O-N 3.38Å; D36-W39 HydrophobicContact CB-CB 3.82Å; D36-F77 WeakPolarHBondContact O-CE2 3.33Å; D36-F77 VanDerWaalsContact O-CZ 3.28Å; D36-F77 WeakPolarHBondContact O-CZ 3.42Å; D36-H417 IonicContact OD1-NE2 2.7Å; D36-H418 IonicContact OD1-NE2 2.74Å; D36-H418 PolarHBondContact OD1-NE2 3.22Å | ||
| 37 | V | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -80.9 | 63.1 | -178.8 | -174.4 | 0 | 0 | 0 | 0 | 109 | M35 I43 E74 E76 F77 V111 E414 H417 Y433 | M35-V37 PolarHBondContact O-N 2.95Å; V37-I43 HydrophobicContact CG1-CD1 3.63Å; V37-I43 HydrophobicContact CG1-CG1 3.96Å; V37-E74 HydrophobicContact CG2-CB 3.88Å; V37-E74 HydrophobicContact CG2-CG 4.08Å; V37-E76 HydrophobicContact CG1-CB 3.87Å; V37-E76 HydrophobicContact CG1-CG 3.65Å; V37-E76 HydrophobicContact CG2-CB 4.12Å; V37-F77 HydrophobicContact CB-CE2 4.46Å; V37-F77 HydrophobicContact CG2-CD2 4.11Å; V37-F77 HydrophobicContact CG2-CE2 3.94Å; V37-V111 HydrophobicContact CB-CG1 4Å; V37-V111 HydrophobicContact CG1-CG1 3.96Å; V37-V111 HydrophobicContact CG2-CG1 4.04Å; V37-E414 HydrophobicContact CG1-CG 4.26Å; V37-H417 HydrophobicContact CB-CB 4.34Å; V37-H417 PolarHBondContact N-NE2 3.08Å; V37-Y433 PolarHBondContact O-OH 2.93Å |
| 38 | G | 96.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 87 | 130.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D36 Y41 H417 Y433 | D36-G38 PolarHBondContact O-N 3.38Å; G38-Y41 WeakPolarHBondContact CA-O 3.32Å; G38-H417 PolarHBondContact O-CE1 3.47Å; G38-H417 PolarHBondContact O-ND1 2.71Å; G38-Y433 VanDerWaalsContact C-OH 3.26Å; G38-Y433 WeakPolarHBondContact CA-OH 3.39Å; G38-Y433 PolarHBondContact O-OH 2.8Å |
| 39 | W | 96.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 23.3 Ų | 23.3 | 13% | 0.129 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -160.3 | -91.7 | 172.6 | 166.5 | 44.2 | 0 | 0 | 0 | 108.5 | D36 Y41 D419 E425 S426 V429 Y640 W805 L811 | D36-W39 HydrophobicContact CB-CB 3.82Å; W39-Y41 PolarHBondContact N-O 3.36Å; W39-D419 HydrophobicContact CB-CB 3.88Å; W39-D419 HydrophobicContact CG-CB 4.09Å; W39-E425 CarbonylContact O-C 3.52Å; W39-E425 WeakPolarHBondContact O-CA 3.38Å; W39-E425 WeakPolarHBondContact O-CB 3.38Å; W39-S426 PolarHBondContact O-N 3.48Å; W39-V429 VanDerWaalsContact O-CG2 3.27Å; W39-V429 WeakPolarHBondContact O-CG2 3.21Å; W39-Y640 PolarHBondContact NE1-OH 3.4Å; W39-W805 AromaticContact CH2-CZ2 3.97Å; W39-W805 HydrophobicContact CH2-CZ2 3.97Å; W39-W805 AromaticContact CZ2-CH2 3.76Å; W39-W805 HydrophobicContact CZ2-CH2 3.76Å; W39-W805 AromaticContact CZ2-CZ2 3.6Å; W39-W805 HydrophobicContact CZ2-CZ2 3.6Å; W39-L811 HydrophobicContact CZ2-CD1 4.36Å |
| 40 | V | 95.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 4% | 0.036 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -73.6 | -40.5 | 169.1 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | S426 K428 Y809 L811 | V40-S426 PolarHBondContact O-OG 2.78Å; V40-K428 WeakPolarHBondContact O-CE 3.41Å; V40-Y809 HydrophobicContact CB-CD1 4.33Å; V40-Y809 HydrophobicContact CG1-CD1 3.42Å; V40-Y809 VanDerWaalsContact CG1-CD1 3.42Å; V40-Y809 HydrophobicContact CG1-CE1 4.13Å; V40-Y809 HydrophobicContact CG1-CG 4.16Å; V40-Y809 HydrophobicContact CG2-CD1 3.95Å; V40-Y809 HydrophobicContact CG2-CG 4.02Å; V40-L811 HydrophobicContact CG2-CD1 4.22Å |
| 41 | Y | 96.4 | Very high | 97 | Very high | 51 Ų | 51 | 23.3 Ų | 23.3 | 20% | 0.2 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -116.2 | 152.5 | -175 | -58.6 | -82.6 | 0 | 0 | 0 | 110.3 | G38 W39 E45 F236 V429 | G38-Y41 WeakPolarHBondContact CA-O 3.32Å; W39-Y41 PolarHBondContact N-O 3.36Å; Y41-E45 VanDerWaalsContact CA-OE2 3.27Å; Y41-E45 WeakPolarHBondContact CA-OE2 3.33Å; Y41-E45 WeakPolarHBondContact CB-OE2 3.49Å; Y41-F236 HydrophobicContact CD1-CB 4.07Å; Y41-F236 AromaticContact CD1-CD1 3.49Å; Y41-F236 HydrophobicContact CD1-CD1 3.49Å; Y41-F236 VanDerWaalsContact CD1-CD1 3.49Å; Y41-F236 AromaticContact CD1-CE1 3.99Å; Y41-F236 HydrophobicContact CD1-CE1 3.99Å; Y41-F236 AromaticContact CD1-CG 3.79Å; Y41-F236 HydrophobicContact CD1-CG 3.79Å; Y41-F236 AromaticContact CD2-CD1 3.93Å; Y41-F236 HydrophobicContact CD2-CD1 3.93Å; Y41-F236 HydrophobicContact CD2-CD2 4.04Å; Y41-F236 AromaticContact CD2-CE1 3.72Å; Y41-F236 HydrophobicContact CD2-CE1 3.72Å; Y41-F236 AromaticContact CD2-CE2 3.87Å; Y41-F236 HydrophobicContact CD2-CE2 3.87Å; Y41-F236 HydrophobicContact CD2-CG 4.08Å; Y41-F236 AromaticContact CD2-CZ 3.69Å; Y41-F236 HydrophobicContact CD2-CZ 3.69Å; Y41-F236 HydrophobicContact CE1-CB 3.51Å; Y41-F236 AromaticContact CE1-CD1 3.81Å; Y41-F236 HydrophobicContact CE1-CD1 3.81Å; Y41-F236 HydrophobicContact CE1-CD2 4.18Å; Y41-F236 AromaticContact CE1-CG 3.58Å; Y41-F236 HydrophobicContact CE1-CG 3.58Å; Y41-F236 HydrophobicContact CE2-CB 4.49Å; Y41-F236 HydrophobicContact CE2-CD1 4.2Å; Y41-F236 AromaticContact CE2-CD2 3.63Å; Y41-F236 HydrophobicContact CE2-CD2 3.63Å; Y41-F236 HydrophobicContact CE2-CE1 4.3Å; Y41-F236 AromaticContact CE2-CE2 3.77Å; Y41-F236 HydrophobicContact CE2-CE2 3.77Å; Y41-F236 AromaticContact CE2-CG 3.86Å; Y41-F236 HydrophobicContact CE2-CG 3.86Å; Y41-F236 HydrophobicContact CE2-CZ 4.1Å; Y41-F236 AromaticContact CG-CD1 3.57Å; Y41-F236 HydrophobicContact CG-CD1 3.57Å; Y41-F236 HydrophobicContact CG-CD2 4.47Å; Y41-F236 AromaticContact CG-CE1 3.55Å; Y41-F236 HydrophobicContact CG-CE1 3.55Å; Y41-F236 HydrophobicContact CG-CE2 4.48Å; Y41-F236 HydrophobicContact CG-CG 4.05Å; Y41-F236 HydrophobicContact CG-CZ 4.04Å; Y41-F236 AromaticContact CZ-CD2 3.71Å; Y41-F236 AromaticContact CZ-CG 3.61Å; Y41-V429 WeakPolarHBondContact O-CG2 3.46Å |
| 42 | T | 97.6 | Very high | 96.9 | Very high | 24 Ų | 24 | 23.8 Ų | 23.8 | 15% | 0.147 | 11% | 0.112 | C | C | . | . | trans | -68.2 | 165.8 | 176.1 | 68.3 | 0 | 0 | 0 | 0 | 110.7 | Q44 E45 S46 V429 M432 | T42-Q44 VanDerWaalsContact C-N 3.27Å; T42-Q44 PolarHBondContact O-N 2.92Å; T42-E45 PolarHBondContact N-OE2 2.92Å; T42-E45 PolarHBondContact O-N 3.3Å; T42-E45 VanDerWaalsContact OG1-CG 3.3Å; T42-E45 WeakPolarHBondContact OG1-CG 3.41Å; T42-E45 PolarHBondContact OG1-N 2.88Å; T42-E45 PolarHBondContact OG1-OE2 3.42Å; T42-S46 WeakPolarHBondContact O-CB 3.35Å; T42-S46 PolarHBondContact O-N 3.26Å; T42-S46 PolarHBondContact O-OG 3.09Å; T42-V429 HydrophobicContact CG2-CG2 4.22Å; T42-M432 VanDerWaalsContact CB-SD 3.55Å; T42-M432 HydrophobicContact CG2-CB 4.42Å; T42-M432 HydrophobicContact CG2-SD 4.01Å | ||
| 43 | I | 97.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 175.8 | -67.3 | 164.8 | 0 | 0 | 0 | 110.3 | V37 S46 M47 F77 L80 E414 M432 | V37-I43 HydrophobicContact CG1-CD1 3.63Å; V37-I43 HydrophobicContact CG1-CG1 3.96Å; I43-S46 PolarHBondContact O-N 3.41Å; I43-M47 WeakPolarHBondContact O-CB 3.47Å; I43-M47 WeakPolarHBondContact O-CG 3.38Å; I43-M47 PolarHBondContact O-N 3.4Å; I43-F77 HydrophobicContact CB-CE1 4.31Å; I43-F77 HydrophobicContact CG2-CD1 4.25Å; I43-F77 HydrophobicContact CG2-CE1 3.71Å; I43-F77 HydrophobicContact CG2-CZ 4.45Å; I43-L80 HydrophobicContact CG2-CD1 3.46Å; I43-L80 VanDerWaalsContact CG2-CD1 3.46Å; I43-E414 HydrophobicContact CD1-CG 3.95Å; I43-E414 WeakPolarHBondContact CD1-OE2 3.46Å; I43-M432 HydrophobicContact CB-SD 4.31Å; I43-M432 HydrophobicContact CD1-CE 3.82Å; I43-M432 HydrophobicContact CD1-SD 4.33Å; I43-M432 HydrophobicContact CG1-CE 3.93Å; I43-M432 HydrophobicContact CG1-SD 4.25Å |
| 44 | Q | 96.9 | Very high | 96.8 | Very high | 164 Ų | 164 | 26.7 Ų | 26.7 | 77% | 0.766 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -65.8 | -43.5 | 179.2 | -171.5 | 178.5 | 8.9 | 0 | 0 | 112.3 | T42 S46 M47 H48 | T42-Q44 VanDerWaalsContact C-N 3.27Å; T42-Q44 PolarHBondContact O-N 2.92Å; Q44-S46 VanDerWaalsContact C-N 3.29Å; Q44-S46 PolarHBondContact O-N 2.87Å; Q44-M47 PolarHBondContact O-N 3.48Å; Q44-H48 PolarHBondContact O-N 3.47Å; Q44-H48 VanDerWaalsContact O-N 3.07Å |
| 45 | E | 97.2 | Very high | 96.9 | Very high | 57 Ų | 57 | 26.8 Ų | 26.8 | 27% | 0.266 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 174.5 | -73.1 | 173.3 | 140.4 | 0 | 0 | 111 | Y41 T42 H48 A49 F236 K428 | Y41-E45 VanDerWaalsContact CA-OE2 3.27Å; Y41-E45 WeakPolarHBondContact CA-OE2 3.33Å; Y41-E45 WeakPolarHBondContact CB-OE2 3.49Å; T42-E45 PolarHBondContact N-OE2 2.92Å; T42-E45 PolarHBondContact O-N 3.3Å; T42-E45 VanDerWaalsContact OG1-CG 3.3Å; T42-E45 WeakPolarHBondContact OG1-CG 3.41Å; T42-E45 PolarHBondContact OG1-N 2.88Å; T42-E45 PolarHBondContact OG1-OE2 3.42Å; E45-H48 PolarHBondContact O-N 3.48Å; E45-A49 VanDerWaalsContact O-CB 3.26Å; E45-A49 WeakPolarHBondContact O-CB 3.35Å; E45-A49 PolarHBondContact O-N 3.45Å; E45-F236 HydrophobicContact CB-CD1 4.41Å; E45-K428 IonicContact OE1-NZ 3.82Å; E45-K428 PolarHBondContact OE1-NZ 3.08Å; E45-K428 WeakPolarHBondContact OE2-CE 3.43Å; E45-K428 IonicContact OE2-NZ 3.39Å; E45-K428 PolarHBondContact OE2-NZ 2.89Å |
| 46 | S | 97.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -41 | 178.8 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | T42 I43 Q44 H48 A49 Y50 A51 | T42-S46 WeakPolarHBondContact O-CB 3.35Å; T42-S46 PolarHBondContact O-N 3.26Å; T42-S46 PolarHBondContact O-OG 3.09Å; I43-S46 PolarHBondContact O-N 3.41Å; Q44-S46 VanDerWaalsContact C-N 3.29Å; Q44-S46 PolarHBondContact O-N 2.87Å; S46-H48 VanDerWaalsContact C-N 3.33Å; S46-H48 PolarHBondContact O-N 3.45Å; S46-A49 PolarHBondContact O-N 2.83Å; S46-Y50 WeakPolarHBondContact O-CD1 3.42Å; S46-Y50 PolarHBondContact O-N 3.22Å; S46-A51 PolarHBondContact O-N 3.31Å |
| 47 | M | 97.2 | Very high | 96.9 | Very high | 25 Ų | 25 | 28 Ų | 28 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -58.5 | -44.3 | 173.7 | -82.1 | -63.2 | -69.1 | 0 | 0 | 111.9 | I43 Q44 A51 A52 F77 L80 W81 V85 | I43-M47 WeakPolarHBondContact O-CB 3.47Å; I43-M47 WeakPolarHBondContact O-CG 3.38Å; I43-M47 PolarHBondContact O-N 3.4Å; Q44-M47 PolarHBondContact O-N 3.48Å; M47-A51 HydrophobicContact SD-CB 4.1Å; M47-A52 HydrophobicContact CE-CB 4Å; M47-A52 WeakPolarHBondContact O-CB 3.24Å; M47-A52 PolarHBondContact O-N 3.49Å; M47-F77 HydrophobicContact CG-CD1 3.83Å; M47-F77 HydrophobicContact CG-CE1 4.03Å; M47-F77 HydrophobicContact SD-CB 4.46Å; M47-F77 HydrophobicContact SD-CD1 3.6Å; M47-F77 HydrophobicContact SD-CE1 4.36Å; M47-F77 HydrophobicContact SD-CG 4.49Å; M47-L80 HydrophobicContact CE-CB 3.88Å; M47-L80 HydrophobicContact CG-CD1 4.27Å; M47-L80 HydrophobicContact SD-CB 4.11Å; M47-W81 HydrophobicContact CE-CB 4.19Å; M47-V85 HydrophobicContact CE-CG2 4.28Å |
| 48 | H | 95.6 | Very high | 96.9 | Very high | 104 Ų | 104 | 28.1 Ų | 28.1 | 48% | 0.481 | 14% | 0.138 | S | C | . | . | I | π-helix | trans | -69.9 | -45.7 | 179 | 179.8 | 65.7 | 0 | 0 | 0 | 112.5 | Q44 E45 S46 P237 D238 | Q44-H48 PolarHBondContact O-N 3.47Å; Q44-H48 VanDerWaalsContact O-N 3.07Å; E45-H48 PolarHBondContact O-N 3.48Å; S46-H48 VanDerWaalsContact C-N 3.33Å; S46-H48 PolarHBondContact O-N 3.45Å; H48-P237 PolarHBondContact CD2-O 2.66Å; H48-D238 IonicContact CD2-OD1 3.96Å; H48-D238 IonicContact CE1-OD1 2.79Å; H48-D238 IonicContact NE2-OD1 3.86Å; H48-D238 PolarHBondContact NE2-OD1 3.37Å |
| 49 | A | 95.2 | Very high | 97 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -72.9 | -42.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E45 S46 F236 | E45-A49 VanDerWaalsContact O-CB 3.26Å; E45-A49 WeakPolarHBondContact O-CB 3.35Å; E45-A49 PolarHBondContact O-N 3.45Å; S46-A49 PolarHBondContact O-N 2.83Å; A49-F236 HydrophobicContact CB-CD1 3.53Å; A49-F236 HydrophobicContact CB-CD2 4.44Å; A49-F236 HydrophobicContact CB-CE1 3.41Å; A49-F236 VanDerWaalsContact CB-CE1 3.41Å; A49-F236 HydrophobicContact CB-CE2 4.33Å; A49-F236 HydrophobicContact CB-CG 4.07Å; A49-F236 HydrophobicContact CB-CZ 3.84Å |
| 50 | Y | 95.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -154.6 | -36.3 | -170.7 | 81 | -83.8 | 0 | 0 | 0 | 116.7 | M35 S46 A52 N53 V54 A234 F236 K288 | M35-Y50 WeakPolarHBondContact CA-OH 3.27Å; M35-Y50 HydrophobicContact CB-CE2 4.29Å; M35-Y50 HydrophobicContact CG-CE2 3.78Å; M35-Y50 HydrophobicContact SD-CE2 3.97Å; S46-Y50 WeakPolarHBondContact O-CD1 3.42Å; S46-Y50 PolarHBondContact O-N 3.22Å; Y50-A52 PolarHBondContact O-N 2.97Å; Y50-N53 WeakPolarHBondContact O-CA 3.21Å; Y50-N53 WeakPolarHBondContact O-CB 3.44Å; Y50-N53 PolarHBondContact O-N 2.78Å; Y50-V54 HydrophobicContact CD2-CG2 4.06Å; Y50-V54 PolarHBondContact O-N 3.02Å; Y50-A234 HydrophobicContact CG-CB 4.3Å; Y50-F236 HydrophobicContact CD1-CE1 4.42Å; Y50-F236 HydrophobicContact CD1-CE2 4.45Å; Y50-F236 AromaticContact CD1-CZ 3.71Å; Y50-F236 HydrophobicContact CD1-CZ 3.71Å; Y50-F236 AromaticContact CE1-CZ 3.82Å; Y50-F236 HydrophobicContact CE1-CZ 3.82Å; Y50-K288 HydrophobicContact CD1-CB 4.49Å; Y50-K288 HydrophobicContact CD1-CD 4.35Å; Y50-K288 HydrophobicContact CD1-CG 4.39Å; Y50-K288 HydrophobicContact CD2-CB 3.92Å; Y50-K288 HydrophobicContact CD2-CG 4.34Å; Y50-K288 HydrophobicContact CE1-CB 4.41Å; Y50-K288 HydrophobicContact CE1-CD 3.93Å; Y50-K288 HydrophobicContact CE1-CG 3.88Å; Y50-K288 HydrophobicContact CE2-CB 3.82Å; Y50-K288 HydrophobicContact CE2-CG 3.82Å; Y50-K288 HydrophobicContact CG-CB 4.27Å |
| 51 | A | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -64.9 | -39.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M35 S46 M47 N53 V54 Y55 F77 | M35-A51 HydrophobicContact SD-CB 4.09Å; S46-A51 PolarHBondContact O-N 3.31Å; M47-A51 HydrophobicContact SD-CB 4.1Å; A51-N53 VanDerWaalsContact C-N 3.28Å; A51-N53 PolarHBondContact O-N 2.83Å; A51-V54 WeakPolarHBondContact O-CB 3.33Å; A51-V54 PolarHBondContact O-N 3.23Å; A51-Y55 PolarHBondContact O-N 3.35Å; A51-F77 HydrophobicContact CB-CB 4.44Å; A51-F77 HydrophobicContact CB-CD1 3.87Å; A51-F77 HydrophobicContact CB-CE1 4.19Å; A51-F77 HydrophobicContact CB-CG 4.08Å |
| 52 | A | 97 | Very high | 97.4 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -32.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M47 Y50 S56 V85 | M47-A52 HydrophobicContact CE-CB 4Å; M47-A52 WeakPolarHBondContact O-CB 3.24Å; M47-A52 PolarHBondContact O-N 3.49Å; Y50-A52 PolarHBondContact O-N 2.97Å; A52-S56 WeakPolarHBondContact O-CB 3.35Å; A52-S56 PolarHBondContact O-N 3.22Å; A52-S56 PolarHBondContact O-OG 2.87Å; A52-V85 HydrophobicContact CB-CG1 4.36Å; A52-V85 HydrophobicContact CB-CG2 4.25Å |
| 53 | N | 96.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 29.7 Ų | 29.7 | 33% | 0.332 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -73.2 | -33 | 178.7 | -65.5 | -27.1 | 0 | 0 | 0 | 111.8 | Y50 A51 S57 F291 | Y50-N53 WeakPolarHBondContact O-CA 3.21Å; Y50-N53 WeakPolarHBondContact O-CB 3.44Å; Y50-N53 PolarHBondContact O-N 2.78Å; A51-N53 VanDerWaalsContact C-N 3.28Å; A51-N53 PolarHBondContact O-N 2.83Å; N53-S57 VanDerWaalsContact O-CB 3.26Å; N53-S57 WeakPolarHBondContact O-CB 3.24Å; N53-S57 PolarHBondContact O-N 3.45Å; N53-S57 PolarHBondContact O-OG 2.98Å; N53-F291 CarbonylContact C-O 3.56Å; N53-F291 HydrophobicContact CB-CB 4.23Å; N53-F291 WeakPolarHBondContact CB-O 3.45Å |
| 54 | V | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.7 | -60.5 | 172.3 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | M35 Y50 A51 S56 S57 V58 F70 Q289 F290 F291 | M35-V54 HydrophobicContact CE-CG1 4.43Å; M35-V54 HydrophobicContact SD-CB 4.13Å; M35-V54 HydrophobicContact SD-CG1 4.21Å; M35-V54 HydrophobicContact SD-CG2 3.98Å; Y50-V54 HydrophobicContact CD2-CG2 4.06Å; Y50-V54 PolarHBondContact O-N 3.02Å; A51-V54 WeakPolarHBondContact O-CB 3.33Å; A51-V54 PolarHBondContact O-N 3.23Å; V54-S56 PolarHBondContact O-N 3.2Å; V54-S57 PolarHBondContact O-N 3.17Å; V54-S57 PolarHBondContact O-OG 3.29Å; V54-V58 HydrophobicContact CG1-CG2 4.2Å; V54-V58 VanDerWaalsContact O-CB 3.23Å; V54-V58 WeakPolarHBondContact O-CB 3.11Å; V54-V58 WeakPolarHBondContact O-CG2 3.2Å; V54-V58 PolarHBondContact O-N 2.63Å; V54-F70 HydrophobicContact CG1-CE1 4.44Å; V54-F70 HydrophobicContact CG1-CZ 4.11Å; V54-Q289 WeakPolarHBondContact CG2-O 3.45Å; V54-F290 HydrophobicContact CG1-CB 4.42Å; V54-F291 HydrophobicContact CG2-CB 3.93Å |
| 55 | Y | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | -176.1 | -64.9 | -53.6 | 0 | 0 | 0 | 113.2 | M35 A51 T59 S72 E74 F77 F78 W81 | M35-Y55 HydrophobicContact CE-CE1 3.98Å; M35-Y55 HydrophobicContact CE-CE2 3.8Å; M35-Y55 WeakPolarHBondContact CE-OH 3.38Å; A51-Y55 PolarHBondContact O-N 3.35Å; Y55-T59 VanDerWaalsContact O-CB 3.29Å; Y55-T59 WeakPolarHBondContact O-CB 3.4Å; Y55-T59 PolarHBondContact O-N 3.25Å; Y55-T59 PolarHBondContact O-OG1 3.37Å; Y55-S72 WeakPolarHBondContact CE1-OG 3.34Å; Y55-S72 PolarHBondContact OH-OG 2.75Å; Y55-E74 PolarHBondContact OH-O 3.33Å; Y55-F77 HydrophobicContact CE2-CB 3.9Å; Y55-F78 AromaticContact CD1-CD2 3.73Å; Y55-F78 HydrophobicContact CD1-CD2 3.73Å; Y55-F78 HydrophobicContact CD1-CE2 4.19Å; Y55-F78 HydrophobicContact CD2-CD2 4.4Å; Y55-F78 HydrophobicContact CE1-CB 4.44Å; Y55-F78 AromaticContact CE1-CD2 3.57Å; Y55-F78 HydrophobicContact CE1-CD2 3.57Å; Y55-F78 HydrophobicContact CE1-CE2 4.38Å; Y55-F78 HydrophobicContact CE1-CG 4.49Å; Y55-F78 VanDerWaalsContact CE2-CA 3.49Å; Y55-F78 HydrophobicContact CE2-CB 3.98Å; Y55-F78 HydrophobicContact CE2-CD2 4.24Å; Y55-F78 HydrophobicContact CG-CD2 4.15Å; Y55-F78 AromaticContact CZ-CD2 3.81Å; Y55-W81 VanDerWaalsContact CB-CD2 3.5Å; Y55-W81 HydrophobicContact CD2-CB 3.97Å; Y55-W81 HydrophobicContact CD2-CD2 4.44Å; Y55-W81 HydrophobicContact CD2-CG 4.15Å; Y55-W81 HydrophobicContact CG-CD2 4.28Å; Y55-W81 HydrophobicContact CG-CE3 4.36Å; Y55-W81 HydrophobicContact CG-CG 4.41Å |
| 56 | S | 98.1 | Very high | 97.4 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -51.9 | 176.5 | -61.8 | 0 | 0 | 0 | 0 | 112 | A52 V54 T59 E60 W81 | A52-S56 WeakPolarHBondContact O-CB 3.35Å; A52-S56 PolarHBondContact O-N 3.22Å; A52-S56 PolarHBondContact O-OG 2.87Å; V54-S56 PolarHBondContact O-N 3.2Å; S56-T59 PolarHBondContact O-N 3.02Å; S56-E60 WeakPolarHBondContact O-CG 3.45Å; S56-E60 PolarHBondContact O-N 3.45Å; S56-W81 PolarHBondContact OG-NE1 2.7Å |
| 57 | S | 97.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.3 | -36.5 | -175.7 | 69.3 | 0 | 0 | 0 | 0 | 112.9 | N53 V54 E60 E61 F290 F291 S293 | N53-S57 VanDerWaalsContact O-CB 3.26Å; N53-S57 WeakPolarHBondContact O-CB 3.24Å; N53-S57 PolarHBondContact O-N 3.45Å; N53-S57 PolarHBondContact O-OG 2.98Å; V54-S57 PolarHBondContact O-N 3.17Å; V54-S57 PolarHBondContact O-OG 3.29Å; S57-E60 PolarHBondContact O-N 3.42Å; S57-E61 WeakPolarHBondContact O-CB 3.39Å; S57-E61 VanDerWaalsContact O-CG 3.32Å; S57-E61 WeakPolarHBondContact O-CG 3.38Å; S57-E61 PolarHBondContact O-N 3.19Å; S57-F290 PolarHBondContact OG-O 3.07Å; S57-F291 PolarHBondContact OG-O 3.02Å; S57-S293 WeakPolarHBondContact OG-CB 3.49Å; S57-S293 PolarHBondContact OG-N 2.95Å; S57-S293 VanDerWaalsContact OG-N 3.08Å; S57-S293 PolarHBondContact OG-OG 3.15Å |
| 58 | V | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | 171.9 | 167.4 | 0 | 0 | 0 | 0 | 109.6 | V54 E60 E61 L62 F70 F290 S293 | V54-V58 HydrophobicContact CG1-CG2 4.2Å; V54-V58 VanDerWaalsContact O-CB 3.23Å; V54-V58 WeakPolarHBondContact O-CB 3.11Å; V54-V58 WeakPolarHBondContact O-CG2 3.2Å; V54-V58 PolarHBondContact O-N 2.63Å; V58-E60 VanDerWaalsContact C-N 3.29Å; V58-E60 PolarHBondContact O-N 3.12Å; V58-E61 PolarHBondContact O-N 3.35Å; V58-L62 HydrophobicContact CG1-CD1 3.77Å; V58-L62 HydrophobicContact CG1-CD2 3.88Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 WeakPolarHBondContact O-CB 3.26Å; V58-L62 VanDerWaalsContact O-CD1 3.3Å; V58-L62 WeakPolarHBondContact O-CD1 3.24Å; V58-L62 PolarHBondContact O-N 2.65Å; V58-F70 HydrophobicContact CG1-CB 3.74Å; V58-F70 HydrophobicContact CG1-CD1 3.8Å; V58-F70 HydrophobicContact CG1-CD2 4.15Å; V58-F70 HydrophobicContact CG1-CE1 4.45Å; V58-F70 HydrophobicContact CG1-CG 3.63Å; V58-F70 HydrophobicContact CG2-CD1 4.22Å; V58-F70 HydrophobicContact CG2-CD2 3.9Å; V58-F70 HydrophobicContact CG2-CE1 4.13Å; V58-F70 HydrophobicContact CG2-CE2 3.83Å; V58-F70 HydrophobicContact CG2-CG 4.11Å; V58-F70 HydrophobicContact CG2-CZ 3.93Å; V58-F290 HydrophobicContact CG2-CB 4.49Å; V58-S293 WeakPolarHBondContact CG2-OG 3.23Å |
| 59 | T | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.1 | -45.9 | -179.7 | -59 | 0 | 0 | 0 | 0 | 111.6 | Y55 S56 S63 Q90 Q93 I94 L97 | Y55-T59 VanDerWaalsContact O-CB 3.29Å; Y55-T59 WeakPolarHBondContact O-CB 3.4Å; Y55-T59 PolarHBondContact O-N 3.25Å; Y55-T59 PolarHBondContact O-OG1 3.37Å; S56-T59 PolarHBondContact O-N 3.02Å; T59-S63 WeakPolarHBondContact O-CB 3.45Å; T59-S63 PolarHBondContact O-N 3.37Å; T59-S63 VanDerWaalsContact O-N 3.12Å; T59-S63 PolarHBondContact O-OG 2.84Å; T59-Q90 HydrophobicContact CG2-CB 4.23Å; T59-Q90 HydrophobicContact CG2-CG 4.29Å; T59-Q93 HydrophobicContact CG2-CB 3.64Å; T59-I94 HydrophobicContact CG2-CD1 4.06Å; T59-I94 HydrophobicContact CG2-CG1 3.96Å; T59-I94 WeakPolarHBondContact OG1-CD1 3.47Å; T59-L97 HydrophobicContact CG2-CD1 4.42Å |
| 60 | E | 98.1 | Very high | 97.7 | Very high | 86 Ų | 86 | 36.8 Ų | 36.8 | 40% | 0.402 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.5 | -48.5 | 178 | -71.7 | 176.6 | -162.7 | 0 | 0 | 112.3 | S56 S57 V58 S63 K64 | S56-E60 WeakPolarHBondContact O-CG 3.45Å; S56-E60 PolarHBondContact O-N 3.45Å; S57-E60 PolarHBondContact O-N 3.42Å; V58-E60 VanDerWaalsContact C-N 3.29Å; V58-E60 PolarHBondContact O-N 3.12Å; E60-S63 WeakPolarHBondContact O-CB 3.22Å; E60-S63 PolarHBondContact O-N 3.22Å; E60-K64 WeakPolarHBondContact O-CG 3.42Å; E60-K64 PolarHBondContact O-N 3.16Å |
| 61 | E | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -34.4 | -175 | -70.3 | -58.1 | 136 | 0 | 0 | 113.1 | S57 V58 S63 K64 V65 R68 S294 F297 | S57-E61 WeakPolarHBondContact O-CB 3.39Å; S57-E61 VanDerWaalsContact O-CG 3.32Å; S57-E61 WeakPolarHBondContact O-CG 3.38Å; S57-E61 PolarHBondContact O-N 3.19Å; V58-E61 PolarHBondContact O-N 3.35Å; E61-S63 VanDerWaalsContact C-N 3.32Å; E61-K64 PolarHBondContact O-N 3.06Å; E61-K64 IonicContact OE1-NZ 3.77Å; E61-K64 PolarHBondContact OE1-NZ 3.12Å; E61-V65 PolarHBondContact O-N 3.23Å; E61-R68 PolarHBondContact O-NH1 2.92Å; E61-R68 IonicContact OE2-CZ 2.87Å; E61-R68 IonicContact OE2-NH1 3.39Å; E61-R68 PolarHBondContact OE2-NH1 3.33Å; E61-R68 IonicContact OE2-NH2 3.7Å; E61-S294 VanDerWaalsContact CD-CA 3.46Å; E61-S294 VanDerWaalsContact OE1-CB 3.24Å; E61-S294 WeakPolarHBondContact OE1-CB 3.06Å; E61-S294 PolarHBondContact OE1-OG 2.82Å; E61-F297 HydrophobicContact CB-CD2 3.67Å; E61-F297 HydrophobicContact CB-CE2 4.11Å; E61-F297 HydrophobicContact CG-CD2 4.25Å |
| 62 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67 | -36.8 | 171 | -87.5 | 55.6 | 0 | 0 | 0 | 110.6 | V58 K64 R68 F70 L97 R102 L103 F297 | V58-L62 HydrophobicContact CG1-CD1 3.77Å; V58-L62 HydrophobicContact CG1-CD2 3.88Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 WeakPolarHBondContact O-CB 3.26Å; V58-L62 VanDerWaalsContact O-CD1 3.3Å; V58-L62 WeakPolarHBondContact O-CD1 3.24Å; V58-L62 PolarHBondContact O-N 2.65Å; L62-K64 PolarHBondContact O-N 3.18Å; L62-R68 HydrophobicContact CD1-CB 4.14Å; L62-R68 HydrophobicContact CG-CB 4.34Å; L62-F70 HydrophobicContact CD1-CB 4.35Å; L62-F70 HydrophobicContact CD2-CB 3.9Å; L62-L97 HydrophobicContact CB-CD1 3.7Å; L62-L97 HydrophobicContact CB-CD2 3.78Å; L62-L97 HydrophobicContact CB-CG 4.39Å; L62-L97 HydrophobicContact CD2-CD1 4.24Å; L62-R102 PolarHBondContact O-NH1 2.9Å; L62-R102 PolarHBondContact O-NH2 3.22Å; L62-L103 HydrophobicContact CD2-CB 4.36Å; L62-F297 HydrophobicContact CD1-CE2 3.69Å; L62-F297 HydrophobicContact CD1-CZ 3.72Å |
| 63 | S | 98.1 | Very high | 97.7 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.9 | -23 | 177.4 | -60.7 | 0 | 0 | 0 | 0 | 113.4 | T59 E60 E61 Q93 | T59-S63 WeakPolarHBondContact O-CB 3.45Å; T59-S63 PolarHBondContact O-N 3.37Å; T59-S63 VanDerWaalsContact O-N 3.12Å; T59-S63 PolarHBondContact O-OG 2.84Å; E60-S63 WeakPolarHBondContact O-CB 3.22Å; E60-S63 PolarHBondContact O-N 3.22Å; E61-S63 VanDerWaalsContact C-N 3.32Å; S63-Q93 WeakPolarHBondContact OG-CG 3.47Å; S63-Q93 PolarHBondContact OG-NE2 2.88Å |
| 64 | K | 97.3 | Very high | 97.6 | Very high | 130 Ų | 130 | 33.7 Ų | 33.7 | 57% | 0.565 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -83 | -37.3 | -179 | -69.9 | 168.8 | -164.8 | 169.8 | 0 | 114.1 | E60 E61 L62 | E60-K64 WeakPolarHBondContact O-CG 3.42Å; E60-K64 PolarHBondContact O-N 3.16Å; E61-K64 PolarHBondContact O-N 3.06Å; E61-K64 IonicContact OE1-NZ 3.77Å; E61-K64 PolarHBondContact OE1-NZ 3.12Å; L62-K64 PolarHBondContact O-N 3.18Å |
| 65 | V | 97.4 | Very high | 97.6 | Very high | 42 Ų | 42 | 33.9 Ų | 33.9 | 26% | 0.255 | 16% | 0.164 | S | C | . | . | trans | -131.5 | 121.8 | -171.3 | 177 | 0 | 0 | 0 | 0 | 109.3 | E61 E67 R68 R102 | E61-V65 PolarHBondContact O-N 3.23Å; V65-E67 VanDerWaalsContact C-N 3.33Å; V65-E67 WeakPolarHBondContact CG1-OE2 3.45Å; V65-E67 PolarHBondContact O-N 2.88Å; V65-R68 HydrophobicContact CB-CG 4.1Å; V65-R68 HydrophobicContact CG1-CG 4.07Å; V65-R68 PolarHBondContact O-N 2.93Å; V65-R102 PolarHBondContact O-NH2 2.8Å | ||
| 66 | K | 96.8 | Very high | 97.5 | Very high | 162 Ų | 162 | 34.2 Ų | 34.2 | 70% | 0.704 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -24.4 | -168.8 | -72.8 | -170 | 176.7 | -174.5 | 0 | 114.6 | R69 R102 | K66-R69 PolarHBondContact O-NH1 3.35Å; K66-R102 VanDerWaalsContact O-CZ 3.29Å; K66-R102 PolarHBondContact O-NE 2.89Å; K66-R102 PolarHBondContact O-NH2 3.46Å |
| 67 | E | 97 | Very high | 97.5 | Very high | 122 Ų | 122 | 33.4 Ų | 33.4 | 57% | 0.57 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -28.5 | -175.4 | -65 | 71 | -158.4 | 0 | 0 | 111.5 | V65 R69 Y320 | V65-E67 VanDerWaalsContact C-N 3.33Å; V65-E67 WeakPolarHBondContact CG1-OE2 3.45Å; V65-E67 PolarHBondContact O-N 2.88Å; E67-R69 PolarHBondContact O-NH1 3.29Å; E67-R69 VanDerWaalsContact O-NH1 3.09Å; E67-Y320 HydrophobicContact CB-CD2 4.43Å; E67-Y320 VanDerWaalsContact O-CB 3.25Å; E67-Y320 WeakPolarHBondContact O-CB 3.34Å |
| 68 | R | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | trans | -62.4 | 143.2 | -177.2 | -64.9 | 174.3 | -174.3 | 170.8 | -13.3 | 111.5 | E61 L62 V65 R102 F297 D301 Y320 | E61-R68 PolarHBondContact O-NH1 2.92Å; E61-R68 IonicContact OE2-CZ 2.87Å; E61-R68 IonicContact OE2-NH1 3.39Å; E61-R68 PolarHBondContact OE2-NH1 3.33Å; E61-R68 IonicContact OE2-NH2 3.7Å; L62-R68 HydrophobicContact CD1-CB 4.14Å; L62-R68 HydrophobicContact CG-CB 4.34Å; V65-R68 HydrophobicContact CB-CG 4.1Å; V65-R68 HydrophobicContact CG1-CG 4.07Å; V65-R68 PolarHBondContact O-N 2.93Å; R68-R102 PolarHBondContact O-NE 3.46Å; R68-R102 PolarHBondContact O-NH2 3.31Å; R68-F297 HydrophobicContact CB-CD1 4.4Å; R68-F297 HydrophobicContact CB-CE1 4.01Å; R68-F297 HydrophobicContact CB-CZ 4.27Å; R68-F297 HydrophobicContact CG-CD1 3.78Å; R68-F297 HydrophobicContact CG-CE1 3.89Å; R68-F297 HydrophobicContact CG-CG 4.29Å; R68-F297 HydrophobicContact CG-CZ 4.49Å; R68-D301 IonicContact CZ-OD2 3.8Å; R68-D301 VanDerWaalsContact CZ-OD2 3.29Å; R68-D301 IonicContact NE-OD1 3.63Å; R68-D301 IonicContact NE-OD2 2.77Å; R68-D301 PolarHBondContact NE-OD2 2.8Å; R68-D301 VanDerWaalsContact NE-OD2 3.09Å; R68-D301 IonicContact NH2-OD2 3.13Å; R68-D301 PolarHBondContact NH2-OD2 2.85Å; R68-Y320 HydrophobicContact CG-CE2 4.19Å | ||
| 69 | R | 98.6 | Very high | 97.5 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 16% | 0.162 | 16% | 0.158 | C | C | . | . | trans | -129.7 | 157.8 | 177 | -61.8 | -61.8 | -178 | -94.7 | 2.9 | 109.9 | P31 K66 E67 R102 T322 E325 | P31-R69 WeakPolarHBondContact CB-O 2.88Å; P31-R69 VanDerWaalsContact CG-O 3.28Å; P31-R69 WeakPolarHBondContact CG-O 3.47Å; K66-R69 PolarHBondContact O-NH1 3.35Å; E67-R69 PolarHBondContact O-NH1 3.29Å; E67-R69 VanDerWaalsContact O-NH1 3.09Å; R69-R102 CarbonylContact C-O 3.51Å; R69-R102 VanDerWaalsContact CA-O 3.3Å; R69-R102 WeakPolarHBondContact CA-O 3.46Å; R69-T322 HydrophobicContact CB-CG2 4.05Å; R69-T322 HydrophobicContact CG-CG2 4.2Å; R69-E325 IonicContact NE-OE1 2.91Å; R69-E325 IonicContact NE-OE2 2.63Å | ||
| 70 | F | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 145.6 | 170.6 | -162.5 | -97.1 | 0 | 0 | 0 | 110.1 | P31 V54 V58 L62 R102 L103 E104 F290 | P31-F70 HydrophobicContact CB-CD2 3.74Å; P31-F70 HydrophobicContact CB-CE2 4.32Å; P31-F70 WeakPolarHBondContact O-CD2 3.34Å; V54-F70 HydrophobicContact CG1-CE1 4.44Å; V54-F70 HydrophobicContact CG1-CZ 4.11Å; V58-F70 HydrophobicContact CG1-CB 3.74Å; V58-F70 HydrophobicContact CG1-CD1 3.8Å; V58-F70 HydrophobicContact CG1-CD2 4.15Å; V58-F70 HydrophobicContact CG1-CE1 4.45Å; V58-F70 HydrophobicContact CG1-CG 3.63Å; V58-F70 HydrophobicContact CG2-CD1 4.22Å; V58-F70 HydrophobicContact CG2-CD2 3.9Å; V58-F70 HydrophobicContact CG2-CE1 4.13Å; V58-F70 HydrophobicContact CG2-CE2 3.83Å; V58-F70 HydrophobicContact CG2-CG 4.11Å; V58-F70 HydrophobicContact CG2-CZ 3.93Å; L62-F70 HydrophobicContact CD1-CB 4.35Å; L62-F70 HydrophobicContact CD2-CB 3.9Å; F70-R102 PolarHBondContact N-O 3.39Å; F70-L103 HydrophobicContact CB-CD1 4.1Å; F70-L103 HydrophobicContact CD1-CD1 4.02Å; F70-L103 WeakPolarHBondContact O-CA 3.4Å; F70-E104 PolarHBondContact O-N 2.76Å; F70-F290 HydrophobicContact CD2-CD1 4.22Å; F70-F290 HydrophobicContact CD2-CE1 4.48Å; F70-F290 HydrophobicContact CE2-CB 3.93Å; F70-F290 AromaticContact CE2-CD1 3.73Å; F70-F290 HydrophobicContact CE2-CD1 3.73Å; F70-F290 HydrophobicContact CE2-CD2 4.13Å; F70-F290 HydrophobicContact CE2-CE1 4.27Å; F70-F290 AromaticContact CE2-CG 3.66Å; F70-F290 HydrophobicContact CE2-CG 3.66Å; F70-F290 HydrophobicContact CZ-CB 4.26Å; F70-F290 HydrophobicContact CZ-CG 4.42Å |
| 71 | I | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.6 | 171.4 | 61.3 | 170.1 | 0 | 0 | 0 | 110.3 | I30 P31 H32 E104 I106 W146 | I30-I71 HydrophobicContact CG2-CD1 3.38Å; I30-I71 HydrophobicContact CG2-CG1 3.85Å; I30-I71 HydrophobicContact CG2-CG2 3.92Å; P31-I71 WeakPolarHBondContact O-CG1 3.35Å; P31-I71 PolarHBondContact O-N 2.86Å; H32-I71 HydrophobicContact CB-CD1 3.65Å; H32-I71 HydrophobicContact CB-CG1 3.45Å; H32-I71 VanDerWaalsContact CB-CG1 3.45Å; I71-E104 CarbonylContact C-O 3.51Å; I71-E104 WeakPolarHBondContact CA-O 3.5Å; I71-E104 HydrophobicContact CG2-CB 4.38Å; I71-I106 HydrophobicContact CB-CD1 3.84Å; I71-I106 HydrophobicContact CB-CG1 4.44Å; I71-I106 HydrophobicContact CB-CG2 4.17Å; I71-I106 HydrophobicContact CD1-CD1 3.26Å; I71-I106 HydrophobicContact CG1-CD1 3.83Å; I71-I106 HydrophobicContact CG2-CG2 4.2Å; I71-W146 HydrophobicContact CD1-CD2 4.04Å; I71-W146 HydrophobicContact CD1-CE3 4.02Å; I71-W146 HydrophobicContact CD1-CH2 4.19Å; I71-W146 HydrophobicContact CD1-CZ2 4.22Å; I71-W146 HydrophobicContact CD1-CZ3 4.08Å |
| 72 | S | 97.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.3 | 178.7 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | Y55 E104 F105 I106 | Y55-S72 WeakPolarHBondContact CE1-OG 3.34Å; Y55-S72 PolarHBondContact OH-OG 2.75Å; S72-E104 PolarHBondContact N-O 3.47Å; S72-F105 WeakPolarHBondContact O-CA 3.29Å; S72-I106 PolarHBondContact O-N 3.26Å |
| 73 | V | 93.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | trans | -109.3 | -67.8 | -166.8 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | Q75 I106 I107 M112 | V73-Q75 PolarHBondContact O-N 3.3Å; V73-Q75 PolarHBondContact O-NE2 3.4Å; V73-I106 HydrophobicContact CB-CG1 4.34Å; V73-I106 HydrophobicContact CG1-CG1 4.4Å; V73-I106 HydrophobicContact CG2-CD1 3.59Å; V73-I106 HydrophobicContact CG2-CG1 3.82Å; V73-I107 HydrophobicContact CG1-CD1 3.58Å; V73-I107 HydrophobicContact CG1-CG1 4.38Å; V73-M112 HydrophobicContact CG1-CE 3.61Å | ||
| 74 | E | 93.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -84.7 | 107.1 | -173.2 | -56.5 | 80.4 | -164.5 | 0 | 0 | 111.8 | H34 M35 V37 Y55 E76 F77 F78 | H34-E74 IonicContact CE1-OE1 3.95Å; H34-E74 IonicContact ND1-OE1 2.62Å; H34-E74 PolarHBondContact ND1-OE1 3.14Å; M35-E74 WeakPolarHBondContact O-CG 3.34Å; V37-E74 HydrophobicContact CG2-CB 3.88Å; V37-E74 HydrophobicContact CG2-CG 4.08Å; Y55-E74 PolarHBondContact OH-O 3.33Å; E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 2.9Å; E74-F77 HydrophobicContact CB-CD2 4.41Å; E74-F77 PolarHBondContact O-N 3.3Å; E74-F78 PolarHBondContact O-N 3.31Å | ||
| 75 | Q | 97 | Very high | 97.2 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.6 | -17.5 | -174.6 | -55.5 | -46.3 | -54.9 | 0 | 0 | 113.5 | V73 F78 R79 F105 G108 G109 Q110 L134 | V73-Q75 PolarHBondContact O-N 3.3Å; V73-Q75 PolarHBondContact O-NE2 3.4Å; Q75-F78 PolarHBondContact O-N 3.42Å; Q75-R79 WeakPolarHBondContact O-CB 3.36Å; Q75-R79 PolarHBondContact O-N 2.79Å; Q75-F105 VanDerWaalsContact OE1-CD1 3.28Å; Q75-G108 WeakPolarHBondContact CG-O 3.44Å; Q75-G109 WeakPolarHBondContact CB-O 3.35Å; Q75-G109 VanDerWaalsContact CG-O 3.22Å; Q75-G109 WeakPolarHBondContact CG-O 3.48Å; Q75-G109 PolarHBondContact N-O 2.86Å; Q75-Q110 PolarHBondContact N-O 3.47Å; Q75-L134 HydrophobicContact CG-CD1 4.05Å; Q75-L134 HydrophobicContact CG-CG 4.35Å |
| 76 | E | 97.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.5 | -56.1 | 171.6 | -175.9 | 60.1 | -154.3 | 0 | 0 | 111.1 | V37 E74 F78 R79 L80 Q110 | V37-E76 HydrophobicContact CG1-CB 3.87Å; V37-E76 HydrophobicContact CG1-CG 3.65Å; V37-E76 HydrophobicContact CG2-CB 4.12Å; E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 2.9Å; E76-F78 VanDerWaalsContact C-N 3.34Å; E76-F78 PolarHBondContact O-N 2.95Å; E76-R79 PolarHBondContact O-N 3.44Å; E76-R79 IonicContact OE1-CZ 2.73Å; E76-R79 IonicContact OE1-NH2 3.81Å; E76-R79 PolarHBondContact OE1-NH2 2.92Å; E76-R79 IonicContact OE2-CZ 3.22Å; E76-R79 IonicContact OE2-NH2 2.76Å; E76-R79 PolarHBondContact OE2-NH2 3.11Å; E76-L80 HydrophobicContact CG-CD1 4.27Å; E76-L80 WeakPolarHBondContact O-CG 3.21Å; E76-L80 PolarHBondContact O-N 2.88Å; E76-Q110 HydrophobicContact CB-CG 4.07Å; E76-Q110 WeakPolarHBondContact CB-O 3.2Å; E76-Q110 PolarHBondContact N-O 3.46Å; E76-Q110 VanDerWaalsContact OE2-CD 3.29Å; E76-Q110 WeakPolarHBondContact OE2-CG 3.32Å; E76-Q110 PolarHBondContact OE2-NE2 2.93Å |
| 77 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 178.5 | -72.5 | -57.7 | 0 | 0 | 0 | 112.5 | M35 D36 V37 I43 M47 A51 Y55 E74 L80 W81 | M35-F77 HydrophobicContact CB-CD2 3.75Å; M35-F77 HydrophobicContact CB-CE2 3.9Å; M35-F77 WeakPolarHBondContact O-CE2 3.3Å; D36-F77 WeakPolarHBondContact O-CE2 3.33Å; D36-F77 VanDerWaalsContact O-CZ 3.28Å; D36-F77 WeakPolarHBondContact O-CZ 3.42Å; V37-F77 HydrophobicContact CB-CE2 4.46Å; V37-F77 HydrophobicContact CG2-CD2 4.11Å; V37-F77 HydrophobicContact CG2-CE2 3.94Å; I43-F77 HydrophobicContact CB-CE1 4.31Å; I43-F77 HydrophobicContact CG2-CD1 4.25Å; I43-F77 HydrophobicContact CG2-CE1 3.71Å; I43-F77 HydrophobicContact CG2-CZ 4.45Å; M47-F77 HydrophobicContact CG-CD1 3.83Å; M47-F77 HydrophobicContact CG-CE1 4.03Å; M47-F77 HydrophobicContact SD-CB 4.46Å; M47-F77 HydrophobicContact SD-CD1 3.6Å; M47-F77 HydrophobicContact SD-CE1 4.36Å; M47-F77 HydrophobicContact SD-CG 4.49Å; A51-F77 HydrophobicContact CB-CB 4.44Å; A51-F77 HydrophobicContact CB-CD1 3.87Å; A51-F77 HydrophobicContact CB-CE1 4.19Å; A51-F77 HydrophobicContact CB-CG 4.08Å; Y55-F77 HydrophobicContact CE2-CB 3.9Å; E74-F77 HydrophobicContact CB-CD2 4.41Å; E74-F77 PolarHBondContact O-N 3.3Å; F77-L80 PolarHBondContact O-N 2.86Å; F77-W81 WeakPolarHBondContact O-CB 3.44Å; F77-W81 PolarHBondContact O-N 3.06Å |
| 78 | F | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 178.5 | -170.8 | -83.2 | 0 | 0 | 0 | 111.2 | Y55 E74 Q75 E76 W81 W82 I94 L103 F105 F133 F138 | Y55-F78 AromaticContact CD1-CD2 3.73Å; Y55-F78 HydrophobicContact CD1-CD2 3.73Å; Y55-F78 HydrophobicContact CD1-CE2 4.19Å; Y55-F78 HydrophobicContact CD2-CD2 4.4Å; Y55-F78 HydrophobicContact CE1-CB 4.44Å; Y55-F78 AromaticContact CE1-CD2 3.57Å; Y55-F78 HydrophobicContact CE1-CD2 3.57Å; Y55-F78 HydrophobicContact CE1-CE2 4.38Å; Y55-F78 HydrophobicContact CE1-CG 4.49Å; Y55-F78 VanDerWaalsContact CE2-CA 3.49Å; Y55-F78 HydrophobicContact CE2-CB 3.98Å; Y55-F78 HydrophobicContact CE2-CD2 4.24Å; Y55-F78 HydrophobicContact CG-CD2 4.15Å; Y55-F78 AromaticContact CZ-CD2 3.81Å; E74-F78 PolarHBondContact O-N 3.31Å; Q75-F78 PolarHBondContact O-N 3.42Å; E76-F78 VanDerWaalsContact C-N 3.34Å; E76-F78 PolarHBondContact O-N 2.95Å; F78-W81 HydrophobicContact CE2-CE3 4.22Å; F78-W81 AromaticContact CE2-CZ3 4Å; F78-W81 HydrophobicContact CE2-CZ3 4Å; F78-W81 HydrophobicContact CZ-CE3 4.31Å; F78-W81 AromaticContact CZ-CZ3 3.93Å; F78-W81 HydrophobicContact CZ-CZ3 3.93Å; F78-W81 PolarHBondContact O-N 3.22Å; F78-W82 HydrophobicContact CE1-CB 4.36Å; F78-W82 HydrophobicContact CE1-CE3 4.18Å; F78-W82 HydrophobicContact CZ-CE3 4.36Å; F78-W82 VanDerWaalsContact O-CB 3.23Å; F78-W82 WeakPolarHBondContact O-CB 3.49Å; F78-W82 PolarHBondContact O-N 2.9Å; F78-I94 HydrophobicContact CE2-CD1 4.32Å; F78-I94 HydrophobicContact CZ-CD1 4.38Å; F78-I94 HydrophobicContact CZ-CG2 4Å; F78-L103 HydrophobicContact CE2-CD2 4.47Å; F78-F105 AromaticContact CD1-CE1 3.99Å; F78-F105 HydrophobicContact CD1-CE1 3.99Å; F78-F105 HydrophobicContact CD1-CZ 4.31Å; F78-F105 AromaticContact CD2-CE1 3.78Å; F78-F105 HydrophobicContact CD2-CE1 3.78Å; F78-F105 HydrophobicContact CD2-CZ 4.4Å; F78-F105 AromaticContact CE1-CE1 3.92Å; F78-F105 HydrophobicContact CE1-CE1 3.92Å; F78-F105 AromaticContact CE1-CZ 3.78Å; F78-F105 HydrophobicContact CE1-CZ 3.78Å; F78-F105 AromaticContact CE2-CE1 3.68Å; F78-F105 HydrophobicContact CE2-CE1 3.68Å; F78-F105 AromaticContact CE2-CZ 3.87Å; F78-F105 HydrophobicContact CE2-CZ 3.87Å; F78-F105 AromaticContact CG-CE1 3.93Å; F78-F105 HydrophobicContact CG-CE1 3.93Å; F78-F105 AromaticContact CZ-CE1 3.76Å; F78-F105 HydrophobicContact CZ-CE1 3.76Å; F78-F105 AromaticContact CZ-CZ 3.53Å; F78-F105 HydrophobicContact CZ-CZ 3.53Å; F78-F133 AromaticContact CD1-CE1 3.83Å; F78-F133 HydrophobicContact CD1-CE1 3.83Å; F78-F133 HydrophobicContact CD1-CZ 4.11Å; F78-F133 HydrophobicContact CE1-CE1 4.33Å; F78-F133 HydrophobicContact CE1-CZ 4.39Å; F78-F138 AromaticContact CE1-CE2 3.63Å; F78-F138 HydrophobicContact CE1-CE2 3.63Å; F78-F138 AromaticContact CE1-CZ 3.61Å; F78-F138 HydrophobicContact CE1-CZ 3.61Å; F78-F138 HydrophobicContact CZ-CE2 4.27Å; F78-F138 AromaticContact CZ-CZ 4Å; F78-F138 HydrophobicContact CZ-CZ 4Å |
| 79 | R | 97.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 176.8 | -178.9 | 179.8 | 59.2 | 70.3 | 0.7 | 111.1 | Q75 E76 W81 W82 D83 F133 | Q75-R79 WeakPolarHBondContact O-CB 3.36Å; Q75-R79 PolarHBondContact O-N 2.79Å; E76-R79 PolarHBondContact O-N 3.44Å; E76-R79 IonicContact OE1-CZ 2.73Å; E76-R79 IonicContact OE1-NH2 3.81Å; E76-R79 PolarHBondContact OE1-NH2 2.92Å; E76-R79 IonicContact OE2-CZ 3.22Å; E76-R79 IonicContact OE2-NH2 2.76Å; E76-R79 PolarHBondContact OE2-NH2 3.11Å; R79-W81 VanDerWaalsContact C-N 3.35Å; R79-W81 PolarHBondContact O-N 3.01Å; R79-W82 WeakPolarHBondContact O-CB 3.29Å; R79-W82 PolarHBondContact O-N 2.91Å; R79-D83 WeakPolarHBondContact CG-OD2 3.46Å; R79-D83 WeakPolarHBondContact O-CB 3.41Å; R79-D83 PolarHBondContact O-N 3.05Å; R79-F133 HydrophobicContact CB-CD1 4.48Å; R79-F133 HydrophobicContact CB-CE1 4.14Å; R79-F133 HydrophobicContact CB-CE2 4.18Å; R79-F133 HydrophobicContact CB-CZ 3.98Å; R79-F133 HydrophobicContact CG-CD2 4.08Å; R79-F133 HydrophobicContact CG-CE2 3.85Å; R79-F133 HydrophobicContact CG-CZ 4.16Å |
| 80 | L | 97.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 177.1 | -70.2 | 172.9 | 0 | 0 | 0 | 111.7 | I43 M47 E76 F77 S84 | I43-L80 HydrophobicContact CG2-CD1 3.46Å; I43-L80 VanDerWaalsContact CG2-CD1 3.46Å; M47-L80 HydrophobicContact CE-CB 3.88Å; M47-L80 HydrophobicContact CG-CD1 4.27Å; M47-L80 HydrophobicContact SD-CB 4.11Å; E76-L80 HydrophobicContact CG-CD1 4.27Å; E76-L80 WeakPolarHBondContact O-CG 3.21Å; E76-L80 PolarHBondContact O-N 2.88Å; F77-L80 PolarHBondContact O-N 2.86Å; L80-S84 WeakPolarHBondContact O-CB 3.39Å; L80-S84 PolarHBondContact O-N 2.9Å; L80-S84 PolarHBondContact O-OG 3.28Å |
| 81 | W | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 174.6 | 170.6 | 81.3 | 0 | 0 | 0 | 112 | M47 Y55 S56 F77 F78 R79 D83 V85 A86 Q90 I94 | M47-W81 HydrophobicContact CE-CB 4.19Å; Y55-W81 VanDerWaalsContact CB-CD2 3.5Å; Y55-W81 HydrophobicContact CD2-CB 3.97Å; Y55-W81 HydrophobicContact CD2-CD2 4.44Å; Y55-W81 HydrophobicContact CD2-CG 4.15Å; Y55-W81 HydrophobicContact CG-CD2 4.28Å; Y55-W81 HydrophobicContact CG-CE3 4.36Å; Y55-W81 HydrophobicContact CG-CG 4.41Å; S56-W81 PolarHBondContact OG-NE1 2.7Å; F77-W81 WeakPolarHBondContact O-CB 3.44Å; F77-W81 PolarHBondContact O-N 3.06Å; F78-W81 HydrophobicContact CE2-CE3 4.22Å; F78-W81 AromaticContact CE2-CZ3 4Å; F78-W81 HydrophobicContact CE2-CZ3 4Å; F78-W81 HydrophobicContact CZ-CE3 4.31Å; F78-W81 AromaticContact CZ-CZ3 3.93Å; F78-W81 HydrophobicContact CZ-CZ3 3.93Å; F78-W81 PolarHBondContact O-N 3.22Å; R79-W81 VanDerWaalsContact C-N 3.35Å; R79-W81 PolarHBondContact O-N 3.01Å; W81-D83 VanDerWaalsContact C-N 3.33Å; W81-D83 PolarHBondContact O-N 3.47Å; W81-V85 HydrophobicContact CG-CB 4.4Å; W81-V85 WeakPolarHBondContact O-CA 3.07Å; W81-V85 PolarHBondContact O-N 3.21Å; W81-A86 HydrophobicContact CD2-CB 3.97Å; W81-A86 HydrophobicContact CE3-CB 4.1Å; W81-A86 HydrophobicContact CH2-CB 3.82Å; W81-A86 HydrophobicContact CZ2-CB 3.65Å; W81-A86 HydrophobicContact CZ3-CB 4.03Å; W81-A86 PolarHBondContact O-N 3.05Å; W81-Q90 HydrophobicContact CH2-CB 4.28Å; W81-Q90 HydrophobicContact CZ2-CB 4.15Å; W81-I94 HydrophobicContact CH2-CD1 4.1Å; W81-I94 HydrophobicContact CH2-CG1 3.71Å; W81-I94 HydrophobicContact CZ3-CD1 4.25Å; W81-I94 HydrophobicContact CZ3-CG1 3.94Å |
| 82 | W | 97.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 41 Ų | 41 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 180 | -179.9 | -95.3 | 0 | 0 | 0 | 112.5 | F78 R79 K91 I94 R95 F133 T137 F138 | F78-W82 HydrophobicContact CE1-CB 4.36Å; F78-W82 HydrophobicContact CE1-CE3 4.18Å; F78-W82 HydrophobicContact CZ-CE3 4.36Å; F78-W82 VanDerWaalsContact O-CB 3.23Å; F78-W82 WeakPolarHBondContact O-CB 3.49Å; F78-W82 PolarHBondContact O-N 2.9Å; R79-W82 WeakPolarHBondContact O-CB 3.29Å; R79-W82 PolarHBondContact O-N 2.91Å; W82-K91 HydrophobicContact CD2-CD 4.47Å; W82-K91 HydrophobicContact CD2-CG 4.2Å; W82-K91 HydrophobicContact CE3-CG 3.92Å; W82-K91 HydrophobicContact CH2-CB 3.46Å; W82-K91 VanDerWaalsContact CH2-CB 3.46Å; W82-K91 HydrophobicContact CH2-CD 4.23Å; W82-K91 HydrophobicContact CH2-CG 3.58Å; W82-K91 HydrophobicContact CZ2-CB 4.04Å; W82-K91 HydrophobicContact CZ2-CD 3.98Å; W82-K91 HydrophobicContact CZ2-CG 3.86Å; W82-K91 HydrophobicContact CZ3-CB 3.77Å; W82-K91 HydrophobicContact CZ3-CG 3.62Å; W82-K91 WeakPolarHBondContact O-CE 3.41Å; W82-K91 PolarHBondContact O-NZ 3.06Å; W82-I94 HydrophobicContact CZ3-CB 4.01Å; W82-I94 HydrophobicContact CZ3-CG1 4.42Å; W82-I94 HydrophobicContact CZ3-CG2 3.86Å; W82-R95 HydrophobicContact CH2-CG 4.47Å; W82-F133 HydrophobicContact CB-CZ 4.43Å; W82-F133 HydrophobicContact CG-CZ 4.36Å; W82-T137 HydrophobicContact CH2-CG2 4.46Å; W82-T137 HydrophobicContact CZ2-CG2 3.71Å; W82-F138 HydrophobicContact CD2-CZ 4.13Å; W82-F138 HydrophobicContact CE3-CE1 4.32Å; W82-F138 AromaticContact CE3-CZ 3.82Å; W82-F138 HydrophobicContact CE3-CZ 3.82Å; W82-F138 AromaticContact CH2-CE1 3.59Å; W82-F138 HydrophobicContact CH2-CE1 3.59Å; W82-F138 AromaticContact CH2-CZ 3.86Å; W82-F138 HydrophobicContact CH2-CZ 3.86Å; W82-F138 HydrophobicContact CZ2-CE1 4.15Å; W82-F138 HydrophobicContact CZ2-CZ 4.18Å; W82-F138 AromaticContact CZ3-CE1 3.68Å; W82-F138 HydrophobicContact CZ3-CE1 3.68Å; W82-F138 AromaticContact CZ3-CZ 3.66Å; W82-F138 HydrophobicContact CZ3-CZ 3.66Å |
| 83 | D | 95.6 | Very high | 96.9 | Very high | 98 Ų | 98 | 43.4 Ų | 43.4 | 52% | 0.524 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -80.1 | -35.3 | -175.6 | -69.9 | -22.2 | 0 | 0 | 0 | 112.6 | R79 W81 | R79-D83 WeakPolarHBondContact CG-OD2 3.46Å; R79-D83 WeakPolarHBondContact O-CB 3.41Å; R79-D83 PolarHBondContact O-N 3.05Å; W81-D83 VanDerWaalsContact C-N 3.33Å; W81-D83 PolarHBondContact O-N 3.47Å |
| 84 | S | 96.2 | Very high | 97.1 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -114.3 | -21.8 | -168.1 | 68.7 | 0 | 0 | 0 | 0 | 116.3 | L80 | L80-S84 WeakPolarHBondContact O-CB 3.39Å; L80-S84 PolarHBondContact O-N 2.9Å; L80-S84 PolarHBondContact O-OG 3.28Å |
| 85 | V | 97.3 | Very high | 97.2 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -41.2 | -171.9 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | M47 A52 W81 S87 | M47-V85 HydrophobicContact CE-CG2 4.28Å; A52-V85 HydrophobicContact CB-CG1 4.36Å; A52-V85 HydrophobicContact CB-CG2 4.25Å; W81-V85 HydrophobicContact CG-CB 4.4Å; W81-V85 WeakPolarHBondContact O-CA 3.07Å; W81-V85 PolarHBondContact O-N 3.21Å; V85-S87 PolarHBondContact O-N 3.27Å |
| 86 | A | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | trans | -64 | 125 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W81 K91 | W81-A86 HydrophobicContact CD2-CB 3.97Å; W81-A86 HydrophobicContact CE3-CB 4.1Å; W81-A86 HydrophobicContact CH2-CB 3.82Å; W81-A86 HydrophobicContact CZ2-CB 3.65Å; W81-A86 HydrophobicContact CZ3-CB 4.03Å; W81-A86 PolarHBondContact O-N 3.05Å; A86-K91 HydrophobicContact CB-CG 4.05Å; A86-K91 WeakPolarHBondContact O-CE 3.31Å | ||
| 87 | S | 97.5 | Very high | 97.2 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | trans | -68.7 | 158.3 | 170.7 | 64.3 | 0 | 0 | 0 | 0 | 112.1 | V85 T89 Q90 K91 | V85-S87 PolarHBondContact O-N 3.27Å; S87-T89 PolarHBondContact O-N 2.8Å; S87-T89 VanDerWaalsContact O-N 3.15Å; S87-Q90 PolarHBondContact O-N 3.01Å; S87-Q90 WeakPolarHBondContact OG-CG 3.46Å; S87-Q90 PolarHBondContact OG-N 2.82Å; S87-Q90 PolarHBondContact OG-OE1 2.83Å; S87-K91 WeakPolarHBondContact O-CG 3.36Å; S87-K91 PolarHBondContact O-N 2.92Å | ||
| 88 | D | 95.6 | Very high | 97.1 | Very high | 118 Ų | 118 | 52.7 Ų | 52.7 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -56.4 | -33 | 175.6 | -70.3 | -25.7 | 0 | 0 | 0 | 113 | K91 K92 | D88-K91 PolarHBondContact O-N 3.43Å; D88-K92 WeakPolarHBondContact O-CG 3.47Å; D88-K92 PolarHBondContact O-N 3.1Å |
| 89 | T | 96.8 | Very high | 96.9 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.6 | -49 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 111 | S87 K91 K92 Q93 | S87-T89 PolarHBondContact O-N 2.8Å; S87-T89 VanDerWaalsContact O-N 3.15Å; T89-K91 VanDerWaalsContact C-N 3.31Å; T89-K91 PolarHBondContact O-N 3.06Å; T89-K92 PolarHBondContact O-N 2.59Å; T89-Q93 WeakPolarHBondContact O-CG 3.49Å; T89-Q93 PolarHBondContact O-N 3.36Å |
| 90 | Q | 97.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 61.6 Ų | 61.6 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.2 | -74.2 | 165.9 | -44.2 | 0 | 0 | 111.4 | T59 W81 S87 K92 Q93 I94 | T59-Q90 HydrophobicContact CG2-CB 4.23Å; T59-Q90 HydrophobicContact CG2-CG 4.29Å; W81-Q90 HydrophobicContact CH2-CB 4.28Å; W81-Q90 HydrophobicContact CZ2-CB 4.15Å; S87-Q90 PolarHBondContact O-N 3.01Å; S87-Q90 WeakPolarHBondContact OG-CG 3.46Å; S87-Q90 PolarHBondContact OG-N 2.82Å; S87-Q90 PolarHBondContact OG-OE1 2.83Å; Q90-K92 VanDerWaalsContact C-N 3.33Å; Q90-K92 PolarHBondContact O-N 3.1Å; Q90-Q93 WeakPolarHBondContact O-CB 3.29Å; Q90-Q93 PolarHBondContact O-N 3.41Å; Q90-I94 WeakPolarHBondContact O-CG1 3.36Å; Q90-I94 PolarHBondContact O-N 3.16Å |
| 91 | K | 96.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 21% | 0.213 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 175.5 | -69.4 | -177.5 | 176.2 | 178.2 | 0 | 112.3 | W82 A86 S87 D88 T89 R95 | W82-K91 HydrophobicContact CD2-CD 4.47Å; W82-K91 HydrophobicContact CD2-CG 4.2Å; W82-K91 HydrophobicContact CE3-CG 3.92Å; W82-K91 HydrophobicContact CH2-CB 3.46Å; W82-K91 VanDerWaalsContact CH2-CB 3.46Å; W82-K91 HydrophobicContact CH2-CD 4.23Å; W82-K91 HydrophobicContact CH2-CG 3.58Å; W82-K91 HydrophobicContact CZ2-CB 4.04Å; W82-K91 HydrophobicContact CZ2-CD 3.98Å; W82-K91 HydrophobicContact CZ2-CG 3.86Å; W82-K91 HydrophobicContact CZ3-CB 3.77Å; W82-K91 HydrophobicContact CZ3-CG 3.62Å; W82-K91 WeakPolarHBondContact O-CE 3.41Å; W82-K91 PolarHBondContact O-NZ 3.06Å; A86-K91 HydrophobicContact CB-CG 4.05Å; A86-K91 WeakPolarHBondContact O-CE 3.31Å; S87-K91 WeakPolarHBondContact O-CG 3.36Å; S87-K91 PolarHBondContact O-N 2.92Å; D88-K91 PolarHBondContact O-N 3.43Å; T89-K91 VanDerWaalsContact C-N 3.31Å; T89-K91 PolarHBondContact O-N 3.06Å; K91-R95 WeakPolarHBondContact O-CG 3.21Å; K91-R95 PolarHBondContact O-N 2.8Å |
| 92 | K | 95.4 | Very high | 96.8 | Very high | 154 Ų | 154 | 61.7 Ų | 61.7 | 67% | 0.67 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 174.3 | -72.1 | 171.3 | -174.6 | 173.2 | 0 | 112.1 | D88 T89 Q90 R95 Q96 | D88-K92 WeakPolarHBondContact O-CG 3.47Å; D88-K92 PolarHBondContact O-N 3.1Å; T89-K92 PolarHBondContact O-N 2.59Å; Q90-K92 VanDerWaalsContact C-N 3.33Å; Q90-K92 PolarHBondContact O-N 3.1Å; K92-R95 PolarHBondContact O-N 3.2Å; K92-Q96 PolarHBondContact O-N 3.14Å; K92-Q96 VanDerWaalsContact O-N 3.12Å |
| 93 | Q | 97.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 61 Ų | 61 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 177.4 | -74.9 | 169.7 | -34.6 | 0 | 0 | 111.6 | T59 S63 T89 Q90 R95 Q96 L97 | T59-Q93 HydrophobicContact CG2-CB 3.64Å; S63-Q93 WeakPolarHBondContact OG-CG 3.47Å; S63-Q93 PolarHBondContact OG-NE2 2.88Å; T89-Q93 WeakPolarHBondContact O-CG 3.49Å; T89-Q93 PolarHBondContact O-N 3.36Å; Q90-Q93 WeakPolarHBondContact O-CB 3.29Å; Q90-Q93 PolarHBondContact O-N 3.41Å; Q93-R95 PolarHBondContact O-N 3.5Å; Q93-Q96 WeakPolarHBondContact O-CB 3.3Å; Q93-Q96 PolarHBondContact O-N 3.05Å; Q93-Q96 VanDerWaalsContact O-N 3.11Å; Q93-L97 VanDerWaalsContact O-CG 3.29Å; Q93-L97 WeakPolarHBondContact O-CG 3.45Å; Q93-L97 PolarHBondContact O-N 3.32Å |
| 94 | I | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.7 | -49.9 | 175.5 | -73.7 | -67.7 | 0 | 0 | 0 | 111.3 | T59 F78 W81 W82 Q90 Q96 L97 V98 L103 F138 | T59-I94 HydrophobicContact CG2-CD1 4.06Å; T59-I94 HydrophobicContact CG2-CG1 3.96Å; T59-I94 WeakPolarHBondContact OG1-CD1 3.47Å; F78-I94 HydrophobicContact CE2-CD1 4.32Å; F78-I94 HydrophobicContact CZ-CD1 4.38Å; F78-I94 HydrophobicContact CZ-CG2 4Å; W81-I94 HydrophobicContact CH2-CD1 4.1Å; W81-I94 HydrophobicContact CH2-CG1 3.71Å; W81-I94 HydrophobicContact CZ3-CD1 4.25Å; W81-I94 HydrophobicContact CZ3-CG1 3.94Å; W82-I94 HydrophobicContact CZ3-CB 4.01Å; W82-I94 HydrophobicContact CZ3-CG1 4.42Å; W82-I94 HydrophobicContact CZ3-CG2 3.86Å; Q90-I94 WeakPolarHBondContact O-CG1 3.36Å; Q90-I94 PolarHBondContact O-N 3.16Å; I94-Q96 PolarHBondContact O-N 2.89Å; I94-L97 PolarHBondContact O-N 3.05Å; I94-L97 VanDerWaalsContact O-N 3.13Å; I94-V98 HydrophobicContact CG2-CG2 4.19Å; I94-V98 WeakPolarHBondContact O-CB 3.46Å; I94-V98 VanDerWaalsContact O-CG2 3.26Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 3.45Å; I94-L103 HydrophobicContact CD1-CD2 3.43Å; I94-L103 VanDerWaalsContact CD1-CD2 3.43Å; I94-L103 HydrophobicContact CG2-CD2 4.47Å; I94-F138 HydrophobicContact CG2-CD1 4.26Å; I94-F138 HydrophobicContact CG2-CE1 3.5Å; I94-F138 VanDerWaalsContact CG2-CE1 3.5Å; I94-F138 HydrophobicContact CG2-CZ 3.9Å |
| 95 | R | 95.9 | Very high | 97.1 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.6 | -41.3 | 179.1 | -72.9 | 175.4 | -177.2 | -72.4 | -4.6 | 111.4 | W82 K91 K92 Q93 K99 T137 F138 | W82-R95 HydrophobicContact CH2-CG 4.47Å; K91-R95 WeakPolarHBondContact O-CG 3.21Å; K91-R95 PolarHBondContact O-N 2.8Å; K92-R95 PolarHBondContact O-N 3.2Å; Q93-R95 PolarHBondContact O-N 3.5Å; R95-K99 WeakPolarHBondContact O-CB 3.25Å; R95-K99 PolarHBondContact O-N 2.83Å; R95-K99 VanDerWaalsContact O-N 3.13Å; R95-T137 PolarHBondContact NH1-O 3.45Å; R95-T137 PolarHBondContact NH2-O 3.24Å; R95-F138 HydrophobicContact CG-CD1 4.22Å; R95-F138 HydrophobicContact CG-CE1 4.26Å |
| 96 | Q | 96.1 | Very high | 97.1 | Very high | 90 Ų | 90 | 50.2 Ų | 50.2 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69 | -45.7 | 176.7 | -174.9 | 60.1 | 26.5 | 0 | 0 | 112.2 | K92 Q93 I94 V98 K99 E100 | K92-Q96 PolarHBondContact O-N 3.14Å; K92-Q96 VanDerWaalsContact O-N 3.12Å; Q93-Q96 WeakPolarHBondContact O-CB 3.3Å; Q93-Q96 PolarHBondContact O-N 3.05Å; Q93-Q96 VanDerWaalsContact O-N 3.11Å; I94-Q96 PolarHBondContact O-N 2.89Å; Q96-V98 VanDerWaalsContact C-N 3.33Å; Q96-V98 PolarHBondContact O-N 2.97Å; Q96-K99 WeakPolarHBondContact O-CB 3.34Å; Q96-K99 PolarHBondContact O-N 3.36Å; Q96-E100 HydrophobicContact CG-CG 4.49Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.44Å; Q96-E100 PolarHBondContact NE2-OE1 3.19Å; Q96-E100 VanDerWaalsContact O-CG 3.31Å; Q96-E100 WeakPolarHBondContact O-CG 3.47Å; Q96-E100 PolarHBondContact O-N 2.84Å |
| 97 | L | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 179.8 | -70.4 | 172.2 | 0 | 0 | 0 | 112.5 | T59 L62 Q93 I94 E100 G101 R102 L103 | T59-L97 HydrophobicContact CG2-CD1 4.42Å; L62-L97 HydrophobicContact CB-CD1 3.7Å; L62-L97 HydrophobicContact CB-CD2 3.78Å; L62-L97 HydrophobicContact CB-CG 4.39Å; L62-L97 HydrophobicContact CD2-CD1 4.24Å; Q93-L97 VanDerWaalsContact O-CG 3.29Å; Q93-L97 WeakPolarHBondContact O-CG 3.45Å; Q93-L97 PolarHBondContact O-N 3.32Å; I94-L97 PolarHBondContact O-N 3.05Å; I94-L97 VanDerWaalsContact O-N 3.13Å; L97-E100 PolarHBondContact O-N 3.2Å; L97-G101 PolarHBondContact O-N 2.8Å; L97-R102 HydrophobicContact CD2-CB 4.23Å; L97-R102 PolarHBondContact O-N 2.78Å; L97-L103 HydrophobicContact CB-CB 4.1Å; L97-L103 PolarHBondContact O-N 3.01Å |
| 98 | V | 97.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -45.6 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.5 | I94 Q96 E100 G101 L103 F105 F138 V140 | I94-V98 HydrophobicContact CG2-CG2 4.19Å; I94-V98 WeakPolarHBondContact O-CB 3.46Å; I94-V98 VanDerWaalsContact O-CG2 3.26Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 3.45Å; Q96-V98 VanDerWaalsContact C-N 3.33Å; Q96-V98 PolarHBondContact O-N 2.97Å; V98-E100 VanDerWaalsContact C-N 3.25Å; V98-E100 PolarHBondContact O-N 3.23Å; V98-G101 PolarHBondContact O-N 2.92Å; V98-L103 HydrophobicContact CG2-CB 4.35Å; V98-L103 HydrophobicContact CG2-CD2 4.15Å; V98-L103 HydrophobicContact CG2-CG 4.46Å; V98-F105 HydrophobicContact CG1-CE2 4.45Å; V98-F105 HydrophobicContact CG2-CD2 4.35Å; V98-F105 HydrophobicContact CG2-CE2 3.6Å; V98-F105 HydrophobicContact CG2-CZ 4.31Å; V98-F138 HydrophobicContact CG1-CB 4.44Å; V98-V140 HydrophobicContact CG1-CG2 3.37Å |
| 99 | K | 94.4 | Very high | 97 | Very high | 123 Ų | 123 | 41.6 Ų | 41.6 | 54% | 0.535 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.3 | -35.8 | 176.1 | -177.7 | -178.3 | -179.3 | 175.8 | 0 | 112.5 | R95 Q96 G101 | R95-K99 WeakPolarHBondContact O-CB 3.25Å; R95-K99 PolarHBondContact O-N 2.83Å; R95-K99 VanDerWaalsContact O-N 3.13Å; Q96-K99 WeakPolarHBondContact O-CB 3.34Å; Q96-K99 PolarHBondContact O-N 3.36Å; K99-G101 PolarHBondContact O-N 2.79Å |
| 100 | E | 96.4 | Very high | 97.1 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 41% | 0.411 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.6 | 176.2 | -68.9 | 174.1 | -177.1 | 0 | 0 | 113.3 | Q96 L97 V98 R102 | Q96-E100 HydrophobicContact CG-CG 4.49Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.44Å; Q96-E100 PolarHBondContact NE2-OE1 3.19Å; Q96-E100 VanDerWaalsContact O-CG 3.31Å; Q96-E100 WeakPolarHBondContact O-CG 3.47Å; Q96-E100 PolarHBondContact O-N 2.84Å; L97-E100 PolarHBondContact O-N 3.2Å; V98-E100 VanDerWaalsContact C-N 3.25Å; V98-E100 PolarHBondContact O-N 3.23Å; E100-R102 VanDerWaalsContact C-N 3.26Å; E100-R102 HydrophobicContact CB-CG 3.7Å; E100-R102 PolarHBondContact O-N 2.86Å; E100-R102 WeakPolarHBondContact OE2-CD 3.44Å; E100-R102 IonicContact OE2-NH1 2.7Å |
| 101 | G | 96.7 | Very high | 97.1 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 37% | 0.371 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 19.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L97 V98 K99 T322 | L97-G101 PolarHBondContact O-N 2.8Å; V98-G101 PolarHBondContact O-N 2.92Å; K99-G101 PolarHBondContact O-N 2.79Å; G101-T322 WeakPolarHBondContact O-CG2 3.39Å |
| 102 | R | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -93 | -27.8 | -174.9 | -59.2 | -178.7 | 60.5 | -143.2 | -18.1 | 113.6 | L62 V65 K66 R68 R69 F70 L97 E100 | L62-R102 PolarHBondContact O-NH1 2.9Å; L62-R102 PolarHBondContact O-NH2 3.22Å; V65-R102 PolarHBondContact O-NH2 2.8Å; K66-R102 VanDerWaalsContact O-CZ 3.29Å; K66-R102 PolarHBondContact O-NE 2.89Å; K66-R102 PolarHBondContact O-NH2 3.46Å; R68-R102 PolarHBondContact O-NE 3.46Å; R68-R102 PolarHBondContact O-NH2 3.31Å; R69-R102 CarbonylContact C-O 3.51Å; R69-R102 VanDerWaalsContact CA-O 3.3Å; R69-R102 WeakPolarHBondContact CA-O 3.46Å; F70-R102 PolarHBondContact N-O 3.39Å; L97-R102 HydrophobicContact CD2-CB 4.23Å; L97-R102 PolarHBondContact O-N 2.78Å; E100-R102 VanDerWaalsContact C-N 3.26Å; E100-R102 HydrophobicContact CB-CG 3.7Å; E100-R102 PolarHBondContact O-N 2.86Å; E100-R102 WeakPolarHBondContact OE2-CD 3.44Å; E100-R102 IonicContact OE2-NH1 2.7Å |
| 103 | L | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.3 | 163.4 | 178.9 | 68.5 | 0 | 0 | 0 | 107.1 | L62 F70 F78 I94 L97 V98 F105 | L62-L103 HydrophobicContact CD2-CB 4.36Å; F70-L103 HydrophobicContact CB-CD1 4.1Å; F70-L103 HydrophobicContact CD1-CD1 4.02Å; F70-L103 WeakPolarHBondContact O-CA 3.4Å; F78-L103 HydrophobicContact CE2-CD2 4.47Å; I94-L103 HydrophobicContact CD1-CD2 3.43Å; I94-L103 VanDerWaalsContact CD1-CD2 3.43Å; I94-L103 HydrophobicContact CG2-CD2 4.47Å; L97-L103 HydrophobicContact CB-CB 4.1Å; L97-L103 PolarHBondContact O-N 3.01Å; V98-L103 HydrophobicContact CG2-CB 4.35Å; V98-L103 HydrophobicContact CG2-CD2 4.15Å; V98-L103 HydrophobicContact CG2-CG 4.46Å; L103-F105 HydrophobicContact CD2-CZ 4.49Å |
| 104 | E | 98.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 24.7 Ų | 24.7 | 13% | 0.131 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.9 | 178.2 | -178.5 | 176.9 | -149.6 | 0 | 0 | 110.1 | F70 I71 S72 I106 F144 T322 L323 S324 | F70-E104 PolarHBondContact O-N 2.76Å; I71-E104 CarbonylContact C-O 3.51Å; I71-E104 WeakPolarHBondContact CA-O 3.5Å; I71-E104 HydrophobicContact CG2-CB 4.38Å; S72-E104 PolarHBondContact N-O 3.47Å; E104-I106 HydrophobicContact CG-CG2 3.95Å; E104-F144 WeakPolarHBondContact OE1-CD2 3.25Å; E104-T322 HydrophobicContact CB-CG2 3.93Å; E104-T322 WeakPolarHBondContact OE2-CB 3.28Å; E104-T322 PolarHBondContact OE2-OG1 3.06Å; E104-L323 PolarHBondContact OE2-N 2.8Å; E104-S324 VanDerWaalsContact OE1-CB 3.28Å; E104-S324 WeakPolarHBondContact OE1-CB 3.3Å; E104-S324 PolarHBondContact OE2-N 3.32Å |
| 105 | F | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 2% | 0.022 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.5 | 168 | -62.4 | -76.3 | 0 | 0 | 0 | 109.4 | S72 Q75 F78 V98 L103 L134 F138 V140 | S72-F105 WeakPolarHBondContact O-CA 3.29Å; Q75-F105 VanDerWaalsContact OE1-CD1 3.28Å; F78-F105 AromaticContact CD1-CE1 3.99Å; F78-F105 HydrophobicContact CD1-CE1 3.99Å; F78-F105 HydrophobicContact CD1-CZ 4.31Å; F78-F105 AromaticContact CD2-CE1 3.78Å; F78-F105 HydrophobicContact CD2-CE1 3.78Å; F78-F105 HydrophobicContact CD2-CZ 4.4Å; F78-F105 AromaticContact CE1-CE1 3.92Å; F78-F105 HydrophobicContact CE1-CE1 3.92Å; F78-F105 AromaticContact CE1-CZ 3.78Å; F78-F105 HydrophobicContact CE1-CZ 3.78Å; F78-F105 AromaticContact CE2-CE1 3.68Å; F78-F105 HydrophobicContact CE2-CE1 3.68Å; F78-F105 AromaticContact CE2-CZ 3.87Å; F78-F105 HydrophobicContact CE2-CZ 3.87Å; F78-F105 AromaticContact CG-CE1 3.93Å; F78-F105 HydrophobicContact CG-CE1 3.93Å; F78-F105 AromaticContact CZ-CE1 3.76Å; F78-F105 HydrophobicContact CZ-CE1 3.76Å; F78-F105 AromaticContact CZ-CZ 3.53Å; F78-F105 HydrophobicContact CZ-CZ 3.53Å; V98-F105 HydrophobicContact CG1-CE2 4.45Å; V98-F105 HydrophobicContact CG2-CD2 4.35Å; V98-F105 HydrophobicContact CG2-CE2 3.6Å; V98-F105 HydrophobicContact CG2-CZ 4.31Å; L103-F105 HydrophobicContact CD2-CZ 4.49Å; F105-L134 HydrophobicContact CB-CD1 3.83Å; F105-L134 HydrophobicContact CB-CD2 4.39Å; F105-L134 HydrophobicContact CD1-CD1 4.44Å; F105-L134 HydrophobicContact CD1-CD2 3.71Å; F105-L134 HydrophobicContact CD2-CD2 3.81Å; F105-L134 HydrophobicContact CE1-CD2 3.79Å; F105-L134 HydrophobicContact CE2-CD2 3.87Å; F105-L134 HydrophobicContact CG-CD1 4.08Å; F105-L134 HydrophobicContact CG-CD2 3.71Å; F105-L134 HydrophobicContact CZ-CD2 3.86Å; F105-F138 AromaticContact CE2-CD2 3.8Å; F105-F138 HydrophobicContact CE2-CD2 3.8Å; F105-F138 HydrophobicContact CE2-CE2 4.13Å; F105-F138 HydrophobicContact CE2-CG 4.19Å; F105-F138 AromaticContact CZ-CD2 3.98Å; F105-F138 HydrophobicContact CZ-CD2 3.98Å; F105-F138 AromaticContact CZ-CE2 3.83Å; F105-F138 HydrophobicContact CZ-CE2 3.83Å; F105-F138 HydrophobicContact CZ-CZ 4.39Å; F105-V140 HydrophobicContact CB-CG1 4.38Å; F105-V140 HydrophobicContact CD2-CB 4.43Å; F105-V140 HydrophobicContact CD2-CG1 4.16Å; F105-V140 HydrophobicContact CD2-CG2 4.19Å |
| 106 | I | 97 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -115 | 148.6 | 180 | 67.5 | -178.3 | 0 | 0 | 0 | 109.4 | I71 S72 V73 E104 G108 W146 L323 | I71-I106 HydrophobicContact CB-CD1 3.84Å; I71-I106 HydrophobicContact CB-CG1 4.44Å; I71-I106 HydrophobicContact CB-CG2 4.17Å; I71-I106 HydrophobicContact CD1-CD1 3.26Å; I71-I106 HydrophobicContact CG1-CD1 3.83Å; I71-I106 HydrophobicContact CG2-CG2 4.2Å; S72-I106 PolarHBondContact O-N 3.26Å; V73-I106 HydrophobicContact CB-CG1 4.34Å; V73-I106 HydrophobicContact CG1-CG1 4.4Å; V73-I106 HydrophobicContact CG2-CD1 3.59Å; V73-I106 HydrophobicContact CG2-CG1 3.82Å; E104-I106 HydrophobicContact CG-CG2 3.95Å; I106-G108 PolarHBondContact O-N 2.78Å; I106-W146 HydrophobicContact CB-CB 4.48Å; I106-W146 HydrophobicContact CD1-CB 3.26Å; I106-W146 HydrophobicContact CD1-CD2 3.85Å; I106-W146 HydrophobicContact CD1-CE3 4.23Å; I106-W146 HydrophobicContact CD1-CG 3.43Å; I106-W146 VanDerWaalsContact CD1-CG 3.43Å; I106-W146 HydrophobicContact CG1-CB 3.88Å; I106-W146 HydrophobicContact CG1-CG 4.47Å; I106-L323 HydrophobicContact CG2-CB 4.13Å; I106-L323 HydrophobicContact CG2-CD2 4.15Å | ||
| 107 | I | 96.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 59.2 | -65.5 | -162.5 | -45.7 | 171.3 | 0 | 0 | 0 | 110.8 | V73 G109 M112 L127 H131 F144 W146 F161 F166 | V73-I107 HydrophobicContact CG1-CD1 3.58Å; V73-I107 HydrophobicContact CG1-CG1 4.38Å; I107-G109 PolarHBondContact O-N 2.98Å; I107-M112 HydrophobicContact CD1-CB 4.27Å; I107-M112 HydrophobicContact CD1-CE 4.11Å; I107-M112 HydrophobicContact CD1-CG 4.07Å; I107-L127 HydrophobicContact CG2-CD1 4.31Å; I107-H131 PolarHBondContact O-NE2 2.85Å; I107-F144 PolarHBondContact N-O 3.11Å; I107-W146 HydrophobicContact CD1-CB 4.19Å; I107-W146 WeakPolarHBondContact CD1-O 3.38Å; I107-W146 HydrophobicContact CG1-CB 4.1Å; I107-W146 VanDerWaalsContact CG1-N 3.3Å; I107-F161 HydrophobicContact CG2-CZ 4.46Å; I107-F166 WeakPolarHBondContact O-CZ 3.41Å |
| 108 | G | 95.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | 72.4 | 8.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q75 I106 G130 H131 | Q75-G108 WeakPolarHBondContact CG-O 3.44Å; I106-G108 PolarHBondContact O-N 2.78Å; G108-G130 CarbonylContact O-C 3.53Å; G108-G130 WeakPolarHBondContact O-CA 3.11Å; G108-H131 PolarHBondContact O-CD2 3.48Å; G108-H131 PolarHBondContact O-N 2.99Å | ||
| 109 | G | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -72.2 | 162.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q75 I107 V111 Q126 | Q75-G109 WeakPolarHBondContact CB-O 3.35Å; Q75-G109 VanDerWaalsContact CG-O 3.22Å; Q75-G109 WeakPolarHBondContact CG-O 3.48Å; Q75-G109 PolarHBondContact N-O 2.86Å; I107-G109 PolarHBondContact O-N 2.98Å; G109-V111 PolarHBondContact O-N 3.22Å; G109-Q126 VanDerWaalsContact CA-OE1 3.27Å |
| 110 | Q | 97.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 9.1 Ų | 9.1 | 2% | 0.023 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -56.2 | -36.7 | 176.6 | -170.5 | 172.1 | -29.4 | 0 | 0 | 111 | Q75 E76 Q126 W410 A413 | Q75-Q110 PolarHBondContact N-O 3.47Å; E76-Q110 HydrophobicContact CB-CG 4.07Å; E76-Q110 WeakPolarHBondContact CB-O 3.2Å; E76-Q110 PolarHBondContact N-O 3.46Å; E76-Q110 VanDerWaalsContact OE2-CD 3.29Å; E76-Q110 WeakPolarHBondContact OE2-CG 3.32Å; E76-Q110 PolarHBondContact OE2-NE2 2.93Å; Q110-Q126 HydrophobicContact CB-CB 4.48Å; Q110-Q126 PolarHBondContact N-O 3.22Å; Q110-W410 PolarHBondContact NE2-O 2.83Å; Q110-W410 VanDerWaalsContact NE2-O 3.09Å; Q110-A413 HydrophobicContact CB-CB 4.23Å; Q110-A413 HydrophobicContact CG-CB 4.44Å |
| 111 | V | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.006 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -134.8 | 163.3 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | V37 G109 H113 Q126 A413 Q416 H417 | V37-V111 HydrophobicContact CB-CG1 4Å; V37-V111 HydrophobicContact CG1-CG1 3.96Å; V37-V111 HydrophobicContact CG2-CG1 4.04Å; G109-V111 PolarHBondContact O-N 3.22Å; V111-H113 HydrophobicContact CG2-CB 4.32Å; V111-H113 PolarHBondContact O-N 2.81Å; V111-Q126 HydrophobicContact CG2-CB 4.46Å; V111-Q126 HydrophobicContact CG2-CG 4.29Å; V111-Q126 PolarHBondContact O-OE1 3.35Å; V111-Q126 VanDerWaalsContact O-OE1 3.13Å; V111-A413 WeakPolarHBondContact CG2-O 3.38Å; V111-Q416 HydrophobicContact CG2-CB 4.15Å; V111-H417 HydrophobicContact CB-CB 4Å; V111-H417 HydrophobicContact CG1-CB 4.08Å; V111-H417 HydrophobicContact CG2-CB 4.31Å |
| 112 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.02 | C | C | . | . | trans | -80.1 | 102 | 156 | -174.4 | -175.9 | -49.4 | 0 | 0 | 107.3 | V73 I107 W146 V148 D149 P150 H418 | V73-M112 HydrophobicContact CG1-CE 3.61Å; I107-M112 HydrophobicContact CD1-CB 4.27Å; I107-M112 HydrophobicContact CD1-CE 4.11Å; I107-M112 HydrophobicContact CD1-CG 4.07Å; M112-W146 WeakPolarHBondContact CE-O 3.25Å; M112-V148 HydrophobicContact CE-CG2 4.06Å; M112-V148 HydrophobicContact SD-CG2 4.32Å; M112-D149 HydrophobicContact SD-CB 4.19Å; M112-P150 HydrophobicContact CG-CG 4.24Å; M112-P150 HydrophobicContact SD-CG 4.42Å; M112-H418 PolarHBondContact O-N 2.97Å; M112-H418 PolarHBondContact O-ND1 2.83Å | ||
| 113 | H | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 3.7 Ų | 3.7 | 1% | 0.014 | 2% | 0.018 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 150.8 | -174.1 | 57.2 | -81.3 | 0 | 0 | 0 | 112 | V111 Q126 H147 P150 F161 Q416 | V111-H113 HydrophobicContact CG2-CB 4.32Å; V111-H113 PolarHBondContact O-N 2.81Å; H113-Q126 HydrophobicContact CB-CG 4.45Å; H113-Q126 PolarHBondContact ND1-NE2 2.9Å; H113-H147 AromaticContact CD2-CE1 3.96Å; H113-H147 AromaticContact CE1-CE1 3.24Å; H113-H147 PolarHBondContact CE1-CE1 3.19Å; H113-H147 AromaticContact CE1-NE2 3.59Å; H113-H147 AromaticContact CG-CE1 3.94Å; H113-H147 AromaticContact ND1-CE1 3.5Å; H113-H147 PolarHBondContact ND1-CE1 2.89Å; H113-H147 AromaticContact ND1-NE2 3.8Å; H113-H147 AromaticContact NE2-CE1 3.53Å; H113-P150 VanDerWaalsContact O-CG 3.27Å; H113-P150 WeakPolarHBondContact O-CG 3.24Å; H113-F161 AromaticContact CE1-CZ 3.94Å; H113-Q416 CarbonylContact C-O 3.33Å; H113-Q416 WeakPolarHBondContact CA-O 3.25Å; H113-Q416 HydrophobicContact CB-CB 4.04Å; H113-Q416 WeakPolarHBondContact CB-O 3.34Å |
| 114 | D | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | -59.6 | 156.5 | 161.6 | 176.7 | 45.6 | 0 | 0 | 0 | 110.5 | A116 V117 T118 Q416 H418 I421 T422 | D114-A116 VanDerWaalsContact CG-N 3.33Å; D114-A116 PolarHBondContact OD1-N 2.65Å; D114-A116 PolarHBondContact OD2-N 3.29Å; D114-V117 WeakPolarHBondContact OD2-CG2 3.03Å; D114-V117 PolarHBondContact OD2-N 2.8Å; D114-T118 HydrophobicContact CB-CG2 3.96Å; D114-T118 WeakPolarHBondContact O-CG2 3.39Å; D114-T118 PolarHBondContact O-OG1 2.8Å; D114-Q416 PolarHBondContact N-O 3.25Å; D114-H418 HydrophobicContact CB-CB 4.18Å; D114-I421 HydrophobicContact CB-CG2 3.96Å; D114-T422 HydrophobicContact CB-CG2 3.62Å | ||
| 115 | E | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 3.2 Ų | 3.2 | 1% | 0.005 | 2% | 0.016 | C | C | . | . | S | Bend | trans | -114.7 | -2.4 | 179.1 | -67.6 | -174.2 | -137 | 0 | 0 | 112.9 | H147 P150 A153 S154 T157 N736 | E115-H147 WeakPolarHBondContact OE1-CB 3.39Å; E115-H147 IonicContact OE1-CE1 3.08Å; E115-H147 IonicContact OE1-CG 3.17Å; E115-H147 IonicContact OE1-ND1 3.86Å; E115-H147 PolarHBondContact OE1-ND1 2.96Å; E115-P150 HydrophobicContact CB-CB 4.3Å; E115-P150 HydrophobicContact CG-CB 3.96Å; E115-P150 HydrophobicContact CG-CG 4.27Å; E115-A153 WeakPolarHBondContact OE2-CA 3.21Å; E115-S154 WeakPolarHBondContact O-CB 3.28Å; E115-S154 PolarHBondContact OE2-N 3.39Å; E115-T157 HydrophobicContact CG-CG2 4.38Å; E115-T157 PolarHBondContact OE2-OG1 2.69Å; E115-N736 PolarHBondContact O-ND2 3.04Å; E115-N736 PolarHBondContact O-OD1 2.79Å |
| 116 | A | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 3 Ų | 3 | 1% | 0.008 | 2% | 0.015 | C | C | . | . | S | Bend | trans | -104.3 | -43 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D114 L346 F359 Y360 P759 V761 | D114-A116 VanDerWaalsContact CG-N 3.33Å; D114-A116 PolarHBondContact OD1-N 2.65Å; D114-A116 PolarHBondContact OD2-N 3.29Å; A116-L346 HydrophobicContact CB-CD1 4.43Å; A116-L346 HydrophobicContact CB-CD2 4.15Å; A116-F359 HydrophobicContact CB-CE2 3.81Å; A116-F359 HydrophobicContact CB-CZ 3.67Å; A116-Y360 HydrophobicContact CB-CD1 4.27Å; A116-Y360 HydrophobicContact CB-CE1 3.7Å; A116-P759 HydrophobicContact CB-CB 4.45Å; A116-P759 HydrophobicContact CB-CG 4.28Å; A116-P759 WeakPolarHBondContact O-CB 3.26Å; A116-P759 WeakPolarHBondContact O-CG 3.45Å; A116-V761 VanDerWaalsContact O-CG2 3.28Å; A116-V761 WeakPolarHBondContact O-CG2 2.91Å |
| 117 | V | 98.5 | Very high | 98 | Very high | 5 Ų | 5 | 3.1 Ų | 3.1 | 3% | 0.03 | 2% | 0.016 | C | C | . | . | S | Bend | trans | -115.7 | 13.3 | -172.5 | -64.1 | 0 | 0 | 0 | 0 | 114.4 | D114 F359 Y360 I421 T422 A780 | D114-V117 WeakPolarHBondContact OD2-CG2 3.03Å; D114-V117 PolarHBondContact OD2-N 2.8Å; V117-F359 HydrophobicContact CG1-CD2 4.47Å; V117-F359 HydrophobicContact CG1-CE2 4.31Å; V117-F359 HydrophobicContact CG2-CD2 4.33Å; V117-F359 HydrophobicContact CG2-CE2 4.23Å; V117-Y360 HydrophobicContact CG1-CD1 4Å; V117-I421 HydrophobicContact CG2-CG1 4.12Å; V117-I421 HydrophobicContact CG2-CG2 4.07Å; V117-T422 HydrophobicContact CG2-CG2 4.12Å; V117-A780 HydrophobicContact CB-CB 3.62Å; V117-A780 HydrophobicContact CG1-CB 3.92Å |
| 118 | T | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | -88.4 | 146 | 175.1 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | D114 E123 Q416 I421 N736 V761 | D114-T118 HydrophobicContact CB-CG2 3.96Å; D114-T118 WeakPolarHBondContact O-CG2 3.39Å; D114-T118 PolarHBondContact O-OG1 2.8Å; T118-E123 WeakPolarHBondContact CB-OE1 3.23Å; T118-E123 PolarHBondContact OG1-OE1 3.31Å; T118-Q416 HydrophobicContact CG2-CB 4.35Å; T118-I421 HydrophobicContact CG2-CG2 3.81Å; T118-N736 WeakPolarHBondContact O-CA 3.34Å; T118-N736 WeakPolarHBondContact O-CB 3.34Å; T118-N736 PolarHBondContact O-ND2 2.73Å; T118-N736 PolarHBondContact OG1-ND2 2.72Å; T118-V761 WeakPolarHBondContact O-CG1 3.48Å | ||
| 119 | D | 97.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 4.4 Ų | 4.4 | 1% | 0.005 | 2% | 0.022 | C | C | . | . | trans | -90 | 139.1 | 171.8 | -165.6 | -84.3 | 0 | 0 | 0 | 111 | E121 D122 E123 R371 V761 R762 | D119-E121 PolarHBondContact O-N 3.29Å; D119-E121 VanDerWaalsContact O-N 3.09Å; D119-E121 PolarHBondContact OD1-N 3.5Å; D119-E121 VanDerWaalsContact OD1-N 3.14Å; D119-D122 PolarHBondContact O-N 2.83Å; D119-E123 PolarHBondContact O-N 3.1Å; D119-R371 IonicContact OD2-CZ 3.96Å; D119-R371 IonicContact OD2-NE 2.67Å; D119-R371 IonicContact OD2-NH1 3.11Å; D119-R371 PolarHBondContact OD2-NH1 3.11Å; D119-R371 IonicContact OD2-NH2 3.68Å; D119-R371 PolarHBondContact OD2-NH2 3.4Å; D119-V761 HydrophobicContact CB-CG1 4.21Å; D119-R762 IonicContact OD1-CZ 3.51Å; D119-R762 IonicContact OD1-NE 3.64Å; D119-R762 IonicContact OD1-NH2 2.9Å; D119-R762 PolarHBondContact OD1-NH2 3.11Å; D119-R762 IonicContact OD2-CZ 3.63Å; D119-R762 IonicContact OD2-NE 3.68Å; D119-R762 PolarHBondContact OD2-NE 3.17Å; D119-R762 IonicContact OD2-NH2 3.19Å; D119-R762 PolarHBondContact OD2-NH2 2.91Å | ||
| 120 | L | 97.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -44.6 | -42.1 | 177 | -177.3 | 68.3 | 0 | 0 | 0 | 114 | D122 I124 L160 N736 Y738 M923 I1002 | L120-D122 VanDerWaalsContact C-N 3.33Å; L120-I124 HydrophobicContact CD1-CD1 4.27Å; L120-I124 HydrophobicContact CG-CD1 4.08Å; L120-I124 WeakPolarHBondContact O-CD1 3.34Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.24Å; L120-I124 PolarHBondContact O-N 2.95Å; L120-I124 VanDerWaalsContact O-N 3.14Å; L120-L160 HydrophobicContact CD1-CD1 3.8Å; L120-L160 HydrophobicContact CD1-CD2 3.69Å; L120-L160 HydrophobicContact CD1-CG 4.16Å; L120-N736 WeakPolarHBondContact CB-O 3.43Å; L120-N736 PolarHBondContact N-O 3.37Å; L120-Y738 HydrophobicContact CD1-CD2 4.29Å; L120-Y738 HydrophobicContact CD1-CG 4.39Å; L120-Y738 HydrophobicContact CD2-CD2 3.7Å; L120-Y738 HydrophobicContact CD2-CG 4.35Å; L120-M923 HydrophobicContact CD2-CE 4.06Å; L120-M923 HydrophobicContact CD2-SD 3.59Å; L120-M923 VanDerWaalsContact CD2-SD 3.59Å; L120-I1002 HydrophobicContact CD2-CD1 4.31Å |
| 121 | E | 97.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 4.4 Ų | 4.4 | 8% | 0.075 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | -178.4 | -73.4 | 175.7 | -150.7 | 0 | 0 | 111.8 | D119 I124 L125 R762 H846 H881 L883 | D119-E121 PolarHBondContact O-N 3.29Å; D119-E121 VanDerWaalsContact O-N 3.09Å; D119-E121 PolarHBondContact OD1-N 3.5Å; D119-E121 VanDerWaalsContact OD1-N 3.14Å; E121-I124 PolarHBondContact O-N 3.29Å; E121-L125 WeakPolarHBondContact O-CB 3.39Å; E121-L125 PolarHBondContact O-N 2.94Å; E121-R762 IonicContact OE1-NH2 3.19Å; E121-R762 PolarHBondContact OE1-NH2 3.16Å; E121-R762 VanDerWaalsContact OE1-NH2 3.09Å; E121-H846 IonicContact OE1-NE2 3.74Å; E121-H846 IonicContact OE2-CD2 2.77Å; E121-H846 IonicContact OE2-CE1 2.73Å; E121-H846 PolarHBondContact OE2-CE1 2.77Å; E121-H846 IonicContact OE2-NE2 3.69Å; E121-H846 PolarHBondContact OE2-NE2 3.43Å; E121-H881 IonicContact OE1-CD2 3.81Å; E121-H881 IonicContact OE1-NE2 3.69Å; E121-H881 PolarHBondContact OE1-NE2 2.73Å; E121-H881 VanDerWaalsContact OE1-NE2 3.08Å; E121-L883 HydrophobicContact CG-CD1 3.37Å; E121-L883 HydrophobicContact CG-CG 4.1Å |
| 122 | D | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 4.3 Ų | 4.3 | 3% | 0.027 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -78.5 | -33.3 | -177.8 | -59.7 | -26.3 | 0 | 0 | 0 | 111.2 | D119 L120 I124 L125 Q126 S374 V412 Q416 | D119-D122 PolarHBondContact O-N 2.83Å; L120-D122 VanDerWaalsContact C-N 3.33Å; D122-I124 VanDerWaalsContact C-N 3.34Å; D122-L125 PolarHBondContact O-N 3.19Å; D122-Q126 PolarHBondContact O-N 2.98Å; D122-S374 WeakPolarHBondContact OD1-CB 3.37Å; D122-S374 PolarHBondContact OD1-OG 3.21Å; D122-V412 HydrophobicContact CB-CG1 4.27Å; D122-V412 WeakPolarHBondContact OD1-CG1 3.4Å; D122-Q416 VanDerWaalsContact CB-CD 3.42Å; D122-Q416 HydrophobicContact CB-CG 3.92Å |
| 123 | E | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.005 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 170 | -68.8 | -179.3 | -175.4 | 0 | 0 | 111.8 | T118 D119 Q126 L127 L160 N736 | T118-E123 WeakPolarHBondContact CB-OE1 3.23Å; T118-E123 PolarHBondContact OG1-OE1 3.31Å; D119-E123 PolarHBondContact O-N 3.1Å; E123-Q126 WeakPolarHBondContact O-CG 3.38Å; E123-Q126 PolarHBondContact O-NE2 2.85Å; E123-Q126 VanDerWaalsContact O-NE2 3.15Å; E123-L127 WeakPolarHBondContact O-CB 3.3Å; E123-L127 PolarHBondContact O-N 3.38Å; E123-L160 HydrophobicContact CB-CD1 4.03Å; E123-L160 WeakPolarHBondContact OE2-CD1 3Å; E123-N736 PolarHBondContact OE1-ND2 2.85Å |
| 124 | I | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.01 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -67.3 | -40.7 | 176.3 | -67.5 | 166.7 | 0 | 0 | 0 | 110.4 | L120 E121 D122 L127 T128 L160 L883 R921 L960 I1002 | L120-I124 HydrophobicContact CD1-CD1 4.27Å; L120-I124 HydrophobicContact CG-CD1 4.08Å; L120-I124 WeakPolarHBondContact O-CD1 3.34Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.24Å; L120-I124 PolarHBondContact O-N 2.95Å; L120-I124 VanDerWaalsContact O-N 3.14Å; E121-I124 PolarHBondContact O-N 3.29Å; D122-I124 VanDerWaalsContact C-N 3.34Å; I124-L127 PolarHBondContact O-N 2.89Å; I124-T128 VanDerWaalsContact O-CB 3.29Å; I124-T128 WeakPolarHBondContact O-CB 3.49Å; I124-T128 PolarHBondContact O-N 3.28Å; I124-T128 PolarHBondContact O-OG1 2.8Å; I124-L160 HydrophobicContact CD1-CD2 4.25Å; I124-L160 HydrophobicContact CG1-CD1 4.25Å; I124-L160 HydrophobicContact CG1-CD2 4.22Å; I124-L883 HydrophobicContact CD1-CD2 3.62Å; I124-R921 VanDerWaalsContact CG2-CZ 3.41Å; I124-L960 HydrophobicContact CD1-CD1 4Å; I124-L960 HydrophobicContact CG1-CD1 4.14Å; I124-L960 HydrophobicContact CG1-CD2 4.15Å; I124-L960 HydrophobicContact CG1-CG 4.34Å; I124-L960 HydrophobicContact CG2-CD1 4.29Å; I124-L960 HydrophobicContact CG2-CG 4.3Å; I124-I1002 HydrophobicContact CD1-CD1 4.31Å |
| 125 | L | 98.7 | Very high | 97.7 | Very high | 21 Ų | 21 | 5.7 Ų | 5.7 | 11% | 0.11 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -61.3 | -54.3 | 179.8 | 176.4 | 64.2 | 0 | 0 | 0 | 111.4 | E121 D122 L127 T128 E129 L377 R409 V412 | E121-L125 WeakPolarHBondContact O-CB 3.39Å; E121-L125 PolarHBondContact O-N 2.94Å; D122-L125 PolarHBondContact O-N 3.19Å; L125-L127 PolarHBondContact O-N 3.15Å; L125-T128 WeakPolarHBondContact O-CB 3.44Å; L125-T128 PolarHBondContact O-N 2.89Å; L125-E129 HydrophobicContact CD1-CG 4.16Å; L125-E129 PolarHBondContact O-N 3.33Å; L125-L377 HydrophobicContact CD2-CD2 3.48Å; L125-L377 VanDerWaalsContact CD2-CD2 3.48Å; L125-R409 HydrophobicContact CD1-CB 4.33Å; L125-R409 HydrophobicContact CD1-CG 4.08Å; L125-V412 HydrophobicContact CD2-CB 3.94Å; L125-V412 HydrophobicContact CD2-CG1 3.68Å |
| 126 | Q | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.8 | -35.5 | -178 | 72.1 | 71.5 | 28.5 | 0 | 0 | 111.8 | G109 Q110 V111 H113 D122 E123 G130 A413 Q416 | G109-Q126 VanDerWaalsContact CA-OE1 3.27Å; Q110-Q126 HydrophobicContact CB-CB 4.48Å; Q110-Q126 PolarHBondContact N-O 3.22Å; V111-Q126 HydrophobicContact CG2-CB 4.46Å; V111-Q126 HydrophobicContact CG2-CG 4.29Å; V111-Q126 PolarHBondContact O-OE1 3.35Å; V111-Q126 VanDerWaalsContact O-OE1 3.13Å; H113-Q126 HydrophobicContact CB-CG 4.45Å; H113-Q126 PolarHBondContact ND1-NE2 2.9Å; D122-Q126 PolarHBondContact O-N 2.98Å; E123-Q126 WeakPolarHBondContact O-CG 3.38Å; E123-Q126 PolarHBondContact O-NE2 2.85Å; E123-Q126 VanDerWaalsContact O-NE2 3.15Å; Q126-G130 PolarHBondContact O-N 3.46Å; Q126-A413 HydrophobicContact CB-CB 3.54Å; Q126-Q416 HydrophobicContact CG-CB 4.39Å; Q126-Q416 HydrophobicContact CG-CG 4.49Å |
| 127 | L | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 9.9 Ų | 9.9 | 2% | 0.016 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -70.1 | -39 | 176.6 | -165.6 | 66.5 | 0 | 0 | 0 | 111 | I107 E123 I124 L125 H131 F161 A164 T961 | I107-L127 HydrophobicContact CG2-CD1 4.31Å; E123-L127 WeakPolarHBondContact O-CB 3.3Å; E123-L127 PolarHBondContact O-N 3.38Å; I124-L127 PolarHBondContact O-N 2.89Å; L125-L127 PolarHBondContact O-N 3.15Å; L127-H131 WeakPolarHBondContact CD1-NE2 3.45Å; L127-H131 VanDerWaalsContact O-CB 3.23Å; L127-H131 WeakPolarHBondContact O-CB 3.34Å; L127-H131 PolarHBondContact O-CD2 3.38Å; L127-H131 VanDerWaalsContact O-CG 3.27Å; L127-H131 PolarHBondContact O-N 2.8Å; L127-F161 HydrophobicContact CD1-CE1 4.27Å; L127-F161 HydrophobicContact CD2-CD1 4.24Å; L127-F161 HydrophobicContact CD2-CE1 4.25Å; L127-A164 HydrophobicContact CD2-CB 3.97Å; L127-T961 HydrophobicContact CB-CG2 4.22Å; L127-T961 HydrophobicContact CD2-CG2 3.83Å; L127-T961 HydrophobicContact CG-CG2 3.74Å |
| 128 | T | 98.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 3% | 0.031 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.1 | -43.3 | 178.2 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | I124 L125 G132 L919 R921 | I124-T128 VanDerWaalsContact O-CB 3.29Å; I124-T128 WeakPolarHBondContact O-CB 3.49Å; I124-T128 PolarHBondContact O-N 3.28Å; I124-T128 PolarHBondContact O-OG1 2.8Å; L125-T128 WeakPolarHBondContact O-CB 3.44Å; L125-T128 PolarHBondContact O-N 2.89Å; T128-G132 PolarHBondContact O-N 3.04Å; T128-L919 HydrophobicContact CG2-CD2 4.43Å; T128-R921 PolarHBondContact OG1-NH2 3.34Å |
| 129 | E | 97.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 10.6 Ų | 10.6 | 10% | 0.103 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.8 | -47 | 178.9 | -71.7 | -60.4 | 121.8 | 0 | 0 | 111.4 | L125 G132 F133 R409 W410 | L125-E129 HydrophobicContact CD1-CG 4.16Å; L125-E129 PolarHBondContact O-N 3.33Å; E129-G132 PolarHBondContact O-N 2.9Å; E129-F133 PolarHBondContact O-N 3.26Å; E129-R409 HydrophobicContact CG-CB 4.28Å; E129-R409 WeakPolarHBondContact OE1-CD 3.08Å; E129-R409 IonicContact OE1-NH1 3.66Å; E129-W410 PolarHBondContact OE2-NE1 3.26Å |
| 130 | G | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G108 Q126 G132 F133 L134 | G108-G130 CarbonylContact O-C 3.53Å; G108-G130 WeakPolarHBondContact O-CA 3.11Å; Q126-G130 PolarHBondContact O-N 3.46Å; G130-G132 VanDerWaalsContact C-N 3.34Å; G130-G132 PolarHBondContact O-N 3.09Å; G130-F133 PolarHBondContact O-N 3.33Å; G130-L134 WeakPolarHBondContact O-CG 3.47Å; G130-L134 PolarHBondContact O-N 3.02Å |
| 131 | H | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.009 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 176.4 | -78.1 | -164 | 0 | 0 | 0 | 112.7 | I107 G108 L127 L134 Y135 F166 T961 T963 | I107-H131 PolarHBondContact O-NE2 2.85Å; G108-H131 PolarHBondContact O-CD2 3.48Å; G108-H131 PolarHBondContact O-N 2.99Å; L127-H131 WeakPolarHBondContact CD1-NE2 3.45Å; L127-H131 VanDerWaalsContact O-CB 3.23Å; L127-H131 WeakPolarHBondContact O-CB 3.34Å; L127-H131 PolarHBondContact O-CD2 3.38Å; L127-H131 VanDerWaalsContact O-CG 3.27Å; L127-H131 PolarHBondContact O-N 2.8Å; H131-L134 PolarHBondContact O-N 2.94Å; H131-Y135 WeakPolarHBondContact O-CB 3.45Å; H131-Y135 PolarHBondContact O-N 2.87Å; H131-F166 AromaticContact CE1-CE1 3.78Å; H131-T961 HydrophobicContact CB-CG2 4.26Å; H131-T961 WeakPolarHBondContact ND1-CB 3.46Å; H131-T961 VanDerWaalsContact ND1-CG2 3.27Å; H131-T961 WeakPolarHBondContact ND1-CG2 3.45Å; H131-T961 PolarHBondContact ND1-OG1 3.49Å; H131-T963 HydrophobicContact CB-CG2 4.05Å |
| 132 | G | 95.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T128 E129 G130 Y135 Q136 | T128-G132 PolarHBondContact O-N 3.04Å; E129-G132 PolarHBondContact O-N 2.9Å; G130-G132 VanDerWaalsContact C-N 3.34Å; G130-G132 PolarHBondContact O-N 3.09Å; G132-Y135 PolarHBondContact O-N 3.16Å; G132-Q136 VanDerWaalsContact O-CB 3.29Å; G132-Q136 WeakPolarHBondContact O-CB 3.32Å; G132-Q136 PolarHBondContact O-N 2.8Å |
| 133 | F | 95.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 15.5 Ų | 15.5 | 14% | 0.136 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 174.6 | 166.9 | -103.3 | 0 | 0 | 0 | 112.2 | F78 R79 W82 E129 G130 Y135 Q136 T137 F138 | F78-F133 AromaticContact CD1-CE1 3.83Å; F78-F133 HydrophobicContact CD1-CE1 3.83Å; F78-F133 HydrophobicContact CD1-CZ 4.11Å; F78-F133 HydrophobicContact CE1-CE1 4.33Å; F78-F133 HydrophobicContact CE1-CZ 4.39Å; R79-F133 HydrophobicContact CB-CD1 4.48Å; R79-F133 HydrophobicContact CB-CE1 4.14Å; R79-F133 HydrophobicContact CB-CE2 4.18Å; R79-F133 HydrophobicContact CB-CZ 3.98Å; R79-F133 HydrophobicContact CG-CD2 4.08Å; R79-F133 HydrophobicContact CG-CE2 3.85Å; R79-F133 HydrophobicContact CG-CZ 4.16Å; W82-F133 HydrophobicContact CB-CZ 4.43Å; W82-F133 HydrophobicContact CG-CZ 4.36Å; E129-F133 PolarHBondContact O-N 3.26Å; G130-F133 PolarHBondContact O-N 3.33Å; F133-Y135 PolarHBondContact O-N 3.41Å; F133-Q136 PolarHBondContact O-N 3.28Å; F133-T137 WeakPolarHBondContact CE2-OG1 3.25Å; F133-T137 WeakPolarHBondContact O-CB 3.33Å; F133-T137 PolarHBondContact O-N 2.98Å; F133-T137 PolarHBondContact O-OG1 3.47Å; F133-F138 HydrophobicContact CE1-CE2 4.28Å; F133-F138 HydrophobicContact CZ-CE2 4.34Å |
| 134 | L | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | -179.3 | -72.6 | -179.8 | 0 | 0 | 0 | 112.7 | Q75 F105 G130 H131 F138 G139 V140 P142 | Q75-L134 HydrophobicContact CG-CD1 4.05Å; Q75-L134 HydrophobicContact CG-CG 4.35Å; F105-L134 HydrophobicContact CB-CD1 3.83Å; F105-L134 HydrophobicContact CB-CD2 4.39Å; F105-L134 HydrophobicContact CD1-CD1 4.44Å; F105-L134 HydrophobicContact CD1-CD2 3.71Å; F105-L134 HydrophobicContact CD2-CD2 3.81Å; F105-L134 HydrophobicContact CE1-CD2 3.79Å; F105-L134 HydrophobicContact CE2-CD2 3.87Å; F105-L134 HydrophobicContact CG-CD1 4.08Å; F105-L134 HydrophobicContact CG-CD2 3.71Å; F105-L134 HydrophobicContact CZ-CD2 3.86Å; G130-L134 WeakPolarHBondContact O-CG 3.47Å; G130-L134 PolarHBondContact O-N 3.02Å; H131-L134 PolarHBondContact O-N 2.94Å; L134-F138 HydrophobicContact CD2-CD2 3.9Å; L134-F138 HydrophobicContact CD2-CE2 4.19Å; L134-F138 WeakPolarHBondContact O-CA 3.43Å; L134-F138 WeakPolarHBondContact O-CB 3.45Å; L134-F138 PolarHBondContact O-N 2.78Å; L134-G139 PolarHBondContact O-N 3.07Å; L134-V140 HydrophobicContact CB-CB 4.49Å; L134-V140 PolarHBondContact O-N 2.72Å; L134-P142 HydrophobicContact CD1-CG 3.8Å |
| 135 | Y | 94.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.2 | -49.7 | 177.7 | -172.5 | -96.7 | 0 | 0 | 0 | 111 | H131 G132 F133 T137 G139 R141 W890 Y892 T893 H896 H899 T963 | H131-Y135 WeakPolarHBondContact O-CB 3.45Å; H131-Y135 PolarHBondContact O-N 2.87Å; G132-Y135 PolarHBondContact O-N 3.16Å; F133-Y135 PolarHBondContact O-N 3.41Å; Y135-T137 VanDerWaalsContact C-N 3.31Å; Y135-T137 PolarHBondContact O-N 3.39Å; Y135-G139 WeakPolarHBondContact O-CA 3.35Å; Y135-G139 PolarHBondContact O-N 2.85Å; Y135-R141 HydrophobicContact CD2-CG 3.92Å; Y135-R141 HydrophobicContact CE2-CG 4.18Å; Y135-R141 PolarHBondContact OH-NH2 3.42Å; Y135-W890 HydrophobicContact CD1-CZ3 4.44Å; Y135-Y892 HydrophobicContact CD1-CD2 4.02Å; Y135-Y892 AromaticContact CE1-CD2 3.37Å; Y135-Y892 HydrophobicContact CE1-CD2 3.37Å; Y135-Y892 AromaticContact CE1-CE2 3.83Å; Y135-Y892 HydrophobicContact CE1-CE2 3.83Å; Y135-Y892 HydrophobicContact CE1-CG 4.35Å; Y135-Y892 AromaticContact CZ-CD2 3.84Å; Y135-Y892 AromaticContact CZ-CE2 3.78Å; Y135-T893 PolarHBondContact OH-O 3.05Å; Y135-H896 AromaticContact CE2-CE1 3.63Å; Y135-H896 AromaticContact CE2-ND1 3.4Å; Y135-H896 WeakPolarHBondContact CE2-ND1 3.18Å; Y135-H896 AromaticContact CZ-ND1 3.72Å; Y135-H896 PolarHBondContact OH-ND1 3.42Å; Y135-H899 AromaticContact CE1-CD2 3.75Å; Y135-H899 AromaticContact CE1-NE2 3.89Å; Y135-H899 AromaticContact CZ-CD2 3.82Å; Y135-H899 PolarHBondContact O-NE2 3.35Å; Y135-T963 HydrophobicContact CD2-CG2 4.4Å; Y135-T963 HydrophobicContact CG-CG2 4.18Å |
| 136 | Q | 91.8 | Very high | 96.3 | Very high | 73 Ų | 73 | 14.6 Ų | 14.6 | 34% | 0.341 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 179.5 | 178.8 | 172.4 | -10.4 | 0 | 0 | 111.5 | G132 F133 W890 N891 | G132-Q136 VanDerWaalsContact O-CB 3.29Å; G132-Q136 WeakPolarHBondContact O-CB 3.32Å; G132-Q136 PolarHBondContact O-N 2.8Å; F133-Q136 PolarHBondContact O-N 3.28Å; Q136-W890 VanDerWaalsContact OE1-CA 3.27Å; Q136-N891 HydrophobicContact CG-CB 4.43Å |
| 137 | T | 92.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 14.8 Ų | 14.8 | 11% | 0.11 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -82.9 | -41 | -172.5 | -51.4 | 0 | 0 | 0 | 0 | 112.4 | W82 R95 F133 Y135 | W82-T137 HydrophobicContact CH2-CG2 4.46Å; W82-T137 HydrophobicContact CZ2-CG2 3.71Å; R95-T137 PolarHBondContact NH1-O 3.45Å; R95-T137 PolarHBondContact NH2-O 3.24Å; F133-T137 WeakPolarHBondContact CE2-OG1 3.25Å; F133-T137 WeakPolarHBondContact O-CB 3.33Å; F133-T137 PolarHBondContact O-N 2.98Å; F133-T137 PolarHBondContact O-OG1 3.47Å; Y135-T137 VanDerWaalsContact C-N 3.31Å; Y135-T137 PolarHBondContact O-N 3.39Å |
| 138 | F | 93.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 14.6 Ų | 14.6 | 7% | 0.066 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -124.3 | -8.3 | -170.2 | -54 | -68.7 | 0 | 0 | 0 | 114.5 | F78 W82 I94 R95 V98 F105 F133 L134 V140 | F78-F138 AromaticContact CE1-CE2 3.63Å; F78-F138 HydrophobicContact CE1-CE2 3.63Å; F78-F138 AromaticContact CE1-CZ 3.61Å; F78-F138 HydrophobicContact CE1-CZ 3.61Å; F78-F138 HydrophobicContact CZ-CE2 4.27Å; F78-F138 AromaticContact CZ-CZ 4Å; F78-F138 HydrophobicContact CZ-CZ 4Å; W82-F138 HydrophobicContact CD2-CZ 4.13Å; W82-F138 HydrophobicContact CE3-CE1 4.32Å; W82-F138 AromaticContact CE3-CZ 3.82Å; W82-F138 HydrophobicContact CE3-CZ 3.82Å; W82-F138 AromaticContact CH2-CE1 3.59Å; W82-F138 HydrophobicContact CH2-CE1 3.59Å; W82-F138 AromaticContact CH2-CZ 3.86Å; W82-F138 HydrophobicContact CH2-CZ 3.86Å; W82-F138 HydrophobicContact CZ2-CE1 4.15Å; W82-F138 HydrophobicContact CZ2-CZ 4.18Å; W82-F138 AromaticContact CZ3-CE1 3.68Å; W82-F138 HydrophobicContact CZ3-CE1 3.68Å; W82-F138 AromaticContact CZ3-CZ 3.66Å; W82-F138 HydrophobicContact CZ3-CZ 3.66Å; I94-F138 HydrophobicContact CG2-CD1 4.26Å; I94-F138 HydrophobicContact CG2-CE1 3.5Å; I94-F138 VanDerWaalsContact CG2-CE1 3.5Å; I94-F138 HydrophobicContact CG2-CZ 3.9Å; R95-F138 HydrophobicContact CG-CD1 4.22Å; R95-F138 HydrophobicContact CG-CE1 4.26Å; V98-F138 HydrophobicContact CG1-CB 4.44Å; F105-F138 AromaticContact CE2-CD2 3.8Å; F105-F138 HydrophobicContact CE2-CD2 3.8Å; F105-F138 HydrophobicContact CE2-CE2 4.13Å; F105-F138 HydrophobicContact CE2-CG 4.19Å; F105-F138 AromaticContact CZ-CD2 3.98Å; F105-F138 HydrophobicContact CZ-CD2 3.98Å; F105-F138 AromaticContact CZ-CE2 3.83Å; F105-F138 HydrophobicContact CZ-CE2 3.83Å; F105-F138 HydrophobicContact CZ-CZ 4.39Å; F133-F138 HydrophobicContact CE1-CE2 4.28Å; F133-F138 HydrophobicContact CZ-CE2 4.34Å; L134-F138 HydrophobicContact CD2-CD2 3.9Å; L134-F138 HydrophobicContact CD2-CE2 4.19Å; L134-F138 WeakPolarHBondContact O-CA 3.43Å; L134-F138 WeakPolarHBondContact O-CB 3.45Å; L134-F138 PolarHBondContact O-N 2.78Å; F138-V140 HydrophobicContact CB-CB 4.29Å; F138-V140 HydrophobicContact CB-CG2 3.68Å; F138-V140 PolarHBondContact O-N 2.87Å |
| 139 | G | 93.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 14.9 Ų | 14.9 | 5% | 0.052 | 7% | 0.074 | C | C | . | . | trans | 67.2 | 17.2 | -170 | 0 | 0 | 0 | 0 | 0 | 112.6 | L134 Y135 H896 | L134-G139 PolarHBondContact O-N 3.07Å; Y135-G139 WeakPolarHBondContact O-CA 3.35Å; Y135-G139 PolarHBondContact O-N 2.85Å; G139-H896 PolarHBondContact O-CE1 2.86Å | ||
| 140 | V | 95.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 14 Ų | 14 | 16% | 0.164 | 7% | 0.07 | C | C | . | . | trans | -82.3 | 139.7 | -177.5 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | V98 F105 L134 F138 P142 | V98-V140 HydrophobicContact CG1-CG2 3.37Å; F105-V140 HydrophobicContact CB-CG1 4.38Å; F105-V140 HydrophobicContact CD2-CB 4.43Å; F105-V140 HydrophobicContact CD2-CG1 4.16Å; F105-V140 HydrophobicContact CD2-CG2 4.19Å; L134-V140 HydrophobicContact CB-CB 4.49Å; L134-V140 PolarHBondContact O-N 2.72Å; F138-V140 HydrophobicContact CB-CB 4.29Å; F138-V140 HydrophobicContact CB-CG2 3.68Å; F138-V140 PolarHBondContact O-N 2.87Å; V140-P142 HydrophobicContact CG1-CG 4.45Å | ||
| 141 | R | 95.6 | Very high | 96.2 | Very high | 24 Ų | 24 | 14 Ų | 14 | 9% | 0.091 | 7% | 0.069 | C | C | . | . | trans | -121.8 | 103.9 | 167.7 | -60.1 | -176 | -178.7 | 143.5 | -0.9 | 107.4 | Y135 Q143 H896 T963 W964 | Y135-R141 HydrophobicContact CD2-CG 3.92Å; Y135-R141 HydrophobicContact CE2-CG 4.18Å; Y135-R141 PolarHBondContact OH-NH2 3.42Å; R141-Q143 WeakPolarHBondContact O-CG 3.38Å; R141-H896 PolarHBondContact NH2-ND1 2.72Å; R141-T963 PolarHBondContact NE-O 2.94Å; R141-T963 PolarHBondContact NH2-O 3.49Å; R141-W964 HydrophobicContact CB-CH2 4.39Å; R141-W964 HydrophobicContact CB-CZ2 3.5Å; R141-W964 VanDerWaalsContact CB-CZ2 3.5Å; R141-W964 HydrophobicContact CG-CZ2 4.18Å | ||
| 142 | P | 97.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.026 | 7% | 0.069 | C | C | . | . | trans | -55.9 | 141.3 | 179.5 | -26.2 | 35.7 | 0 | 0 | 0 | 111.7 | L134 V140 F166 | L134-P142 HydrophobicContact CD1-CG 3.8Å; V140-P142 HydrophobicContact CG1-CG 4.45Å; P142-F166 HydrophobicContact CB-CE1 4.21Å; P142-F166 HydrophobicContact CB-CZ 4.14Å; P142-F166 WeakPolarHBondContact O-CE1 3.28Å | ||
| 143 | Q | 97 | Very high | 96.3 | Very high | 69 Ų | 69 | 14 Ų | 14 | 32% | 0.322 | 7% | 0.07 | S | C | . | . | trans | -126.4 | -4.2 | -175.1 | -61.9 | -173.5 | 43.9 | 0 | 0 | 113.8 | R141 F166 N167 W964 | R141-Q143 WeakPolarHBondContact O-CG 3.38Å; Q143-F166 CarbonylContact O-C 3.4Å; Q143-F166 VanDerWaalsContact O-CA 3.27Å; Q143-F166 WeakPolarHBondContact O-CA 3.41Å; Q143-F166 WeakPolarHBondContact O-CB 3.43Å; Q143-N167 PolarHBondContact O-N 3.09Å; Q143-N167 PolarHBondContact OE1-ND2 3.44Å; Q143-W964 HydrophobicContact CG-CZ2 4.34Å | ||
| 144 | F | 98.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 12.6 Ų | 12.6 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | B | Isolated β-bridge | trans | -140 | 141.2 | -176.3 | -55.4 | -80.3 | 0 | 0 | 0 | 109.7 | E104 I107 F166 N167 A168 L323 S324 F327 W972 | E104-F144 WeakPolarHBondContact OE1-CD2 3.25Å; I107-F144 PolarHBondContact N-O 3.11Å; F144-F166 VanDerWaalsContact C-CD2 3.49Å; F144-F166 VanDerWaalsContact C-CE2 3.47Å; F144-F166 WeakPolarHBondContact O-CE2 3.05Å; F144-N167 HydrophobicContact CD1-CB 4.44Å; F144-N167 HydrophobicContact CE1-CB 3.81Å; F144-N167 HydrophobicContact CZ-CB 4.25Å; F144-A168 HydrophobicContact CD1-CB 4.07Å; F144-A168 HydrophobicContact CE1-CB 4.4Å; F144-L323 HydrophobicContact CB-CD2 3.79Å; F144-L323 HydrophobicContact CB-CG 4.12Å; F144-S324 VanDerWaalsContact CE2-CA 3.48Å; F144-F327 HydrophobicContact CD1-CB 4.14Å; F144-F327 AromaticContact CD1-CD2 3.45Å; F144-F327 HydrophobicContact CD1-CD2 3.45Å; F144-F327 VanDerWaalsContact CD1-CD2 3.45Å; F144-F327 HydrophobicContact CD1-CE2 4.15Å; F144-F327 HydrophobicContact CD1-CG 4.12Å; F144-F327 HydrophobicContact CE1-CB 3.73Å; F144-F327 AromaticContact CE1-CD2 3.96Å; F144-F327 HydrophobicContact CE1-CD2 3.96Å; F144-F327 HydrophobicContact CE1-CG 4.2Å; F144-F327 HydrophobicContact CG-CD2 4.2Å; F144-W972 AromaticContact CE1-CH2 3.82Å; F144-W972 HydrophobicContact CE1-CH2 3.82Å; F144-W972 AromaticContact CE1-CZ3 3.85Å; F144-W972 HydrophobicContact CE1-CZ3 3.85Å; F144-W972 AromaticContact CZ-CH2 3.57Å; F144-W972 HydrophobicContact CZ-CH2 3.57Å; F144-W972 AromaticContact CZ-CZ2 3.98Å; F144-W972 HydrophobicContact CZ-CZ2 3.98Å; F144-W972 HydrophobicContact CZ-CZ3 4.09Å |
| 145 | S | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -100.1 | 165.4 | 176.7 | 87 | 0 | 0 | 0 | 0 | 112.2 | A168 H169 L170 L323 | S145-A168 PolarHBondContact N-O 3.38Å; S145-H169 VanDerWaalsContact OG-CA 3.25Å; S145-H169 WeakPolarHBondContact OG-CA 3.4Å; S145-H169 PolarHBondContact OG-ND1 3.08Å; S145-L170 WeakPolarHBondContact O-CB 3.28Å; S145-L170 PolarHBondContact OG-N 3.38Å; S145-L323 VanDerWaalsContact O-CD2 3.27Å; S145-L323 WeakPolarHBondContact O-CD2 3.37Å | ||
| 146 | W | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -146.7 | 66 | 178 | -175.9 | -94.6 | 0 | 0 | 0 | 111.3 | I71 I106 I107 M112 V148 L170 M209 L281 P283 L323 | I71-W146 HydrophobicContact CD1-CD2 4.04Å; I71-W146 HydrophobicContact CD1-CE3 4.02Å; I71-W146 HydrophobicContact CD1-CH2 4.19Å; I71-W146 HydrophobicContact CD1-CZ2 4.22Å; I71-W146 HydrophobicContact CD1-CZ3 4.08Å; I106-W146 HydrophobicContact CB-CB 4.48Å; I106-W146 HydrophobicContact CD1-CB 3.26Å; I106-W146 HydrophobicContact CD1-CD2 3.85Å; I106-W146 HydrophobicContact CD1-CE3 4.23Å; I106-W146 HydrophobicContact CD1-CG 3.43Å; I106-W146 VanDerWaalsContact CD1-CG 3.43Å; I106-W146 HydrophobicContact CG1-CB 3.88Å; I106-W146 HydrophobicContact CG1-CG 4.47Å; I107-W146 HydrophobicContact CD1-CB 4.19Å; I107-W146 WeakPolarHBondContact CD1-O 3.38Å; I107-W146 HydrophobicContact CG1-CB 4.1Å; I107-W146 VanDerWaalsContact CG1-N 3.3Å; M112-W146 WeakPolarHBondContact CE-O 3.25Å; W146-V148 VanDerWaalsContact C-N 3.31Å; W146-V148 HydrophobicContact CD2-CG1 3.8Å; W146-V148 VanDerWaalsContact CE2-CG1 3.48Å; W146-V148 HydrophobicContact CG-CG1 3.96Å; W146-V148 HydrophobicContact CZ2-CG1 3.99Å; W146-V148 PolarHBondContact O-N 2.98Å; W146-V148 VanDerWaalsContact O-N 3.08Å; W146-L170 HydrophobicContact CD2-CD2 4.28Å; W146-L170 HydrophobicContact CE3-CD1 3.91Å; W146-L170 HydrophobicContact CE3-CD2 3.99Å; W146-L170 HydrophobicContact CE3-CG 4.48Å; W146-L170 HydrophobicContact CZ3-CD1 3.84Å; W146-L170 HydrophobicContact CZ3-CD2 4.38Å; W146-M209 HydrophobicContact CH2-CE 4.34Å; W146-L281 HydrophobicContact CH2-CD2 4.34Å; W146-L281 HydrophobicContact CZ3-CD1 4.26Å; W146-L281 HydrophobicContact CZ3-CD2 4.38Å; W146-P283 HydrophobicContact CH2-CB 4.14Å; W146-P283 HydrophobicContact CZ2-CB 4.47Å; W146-L323 HydrophobicContact CE3-CD1 4.22Å; W146-L323 HydrophobicContact CE3-CD2 3.94Å; W146-L323 HydrophobicContact CZ3-CD1 4.14Å | ||
| 147 | H | 97.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 1% | 0.014 | 5% | 0.048 | C | C | . | . | B | Isolated β-bridge | trans | -88.7 | 69.6 | -176.2 | -90.8 | -123.4 | 0 | 0 | 0 | 110.9 | H113 E115 P150 F161 L170 I171 S172 | H113-H147 AromaticContact CD2-CE1 3.96Å; H113-H147 AromaticContact CE1-CE1 3.24Å; H113-H147 PolarHBondContact CE1-CE1 3.19Å; H113-H147 AromaticContact CE1-NE2 3.59Å; H113-H147 AromaticContact CG-CE1 3.94Å; H113-H147 AromaticContact ND1-CE1 3.5Å; H113-H147 PolarHBondContact ND1-CE1 2.89Å; H113-H147 AromaticContact ND1-NE2 3.8Å; H113-H147 AromaticContact NE2-CE1 3.53Å; E115-H147 WeakPolarHBondContact OE1-CB 3.39Å; E115-H147 IonicContact OE1-CE1 3.08Å; E115-H147 IonicContact OE1-CG 3.17Å; E115-H147 IonicContact OE1-ND1 3.86Å; E115-H147 PolarHBondContact OE1-ND1 2.96Å; H147-P150 HydrophobicContact CB-CG 4.3Å; H147-F161 AromaticContact CD2-CE2 3.89Å; H147-F161 AromaticContact CD2-CZ 3.74Å; H147-F161 AromaticContact CE1-CZ 3.95Å; H147-F161 AromaticContact NE2-CE2 3.98Å; H147-F161 AromaticContact NE2-CZ 3.4Å; H147-F161 WeakPolarHBondContact NE2-CZ 3.39Å; H147-L170 WeakPolarHBondContact CB-O 3.49Å; H147-L170 PolarHBondContact N-O 2.94Å; H147-I171 HydrophobicContact CB-CG2 4.38Å; H147-I171 VanDerWaalsContact O-CA 3.28Å; H147-I171 WeakPolarHBondContact O-CA 3.27Å; H147-S172 PolarHBondContact O-N 2.77Å |
| 148 | V | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -87.9 | -22.9 | -171.4 | -61.8 | 0 | 0 | 0 | 0 | 114.1 | M112 W146 L170 S172 M209 Y214 | M112-V148 HydrophobicContact CE-CG2 4.06Å; M112-V148 HydrophobicContact SD-CG2 4.32Å; W146-V148 VanDerWaalsContact C-N 3.31Å; W146-V148 HydrophobicContact CD2-CG1 3.8Å; W146-V148 VanDerWaalsContact CE2-CG1 3.48Å; W146-V148 HydrophobicContact CG-CG1 3.96Å; W146-V148 HydrophobicContact CZ2-CG1 3.99Å; W146-V148 PolarHBondContact O-N 2.98Å; W146-V148 VanDerWaalsContact O-N 3.08Å; V148-L170 HydrophobicContact CG1-CD2 3.42Å; V148-L170 VanDerWaalsContact CG1-CD2 3.42Å; V148-S172 VanDerWaalsContact O-CB 3.29Å; V148-S172 WeakPolarHBondContact O-CB 3.16Å; V148-M209 HydrophobicContact CB-SD 4.33Å; V148-M209 HydrophobicContact CG1-SD 3.58Å; V148-M209 VanDerWaalsContact CG1-SD 3.58Å; V148-Y214 HydrophobicContact CB-CD1 3.61Å; V148-Y214 HydrophobicContact CB-CE1 4.47Å; V148-Y214 HydrophobicContact CB-CG 3.84Å; V148-Y214 HydrophobicContact CG2-CD1 3.71Å; V148-Y214 HydrophobicContact CG2-CD2 4.22Å; V148-Y214 HydrophobicContact CG2-CE1 4.33Å; V148-Y214 HydrophobicContact CG2-CG 3.68Å | ||
| 149 | D | 98.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 7.7 Ų | 7.7 | 5% | 0.053 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -115.7 | -7.1 | -174.2 | -138.2 | 45.7 | 0 | 0 | 0 | 119.2 | H34 M112 F151 R173 Y214 H418 | H34-D149 VanDerWaalsContact NE2-CB 3.28Å; H34-D149 WeakPolarHBondContact NE2-CB 3.27Å; H34-D149 IonicContact NE2-OD2 3.5Å; M112-D149 HydrophobicContact SD-CB 4.19Å; D149-F151 WeakPolarHBondContact O-CD1 3.29Å; D149-F151 WeakPolarHBondContact O-CE1 3.44Å; D149-R173 IonicContact OD1-CZ 3.99Å; D149-R173 IonicContact OD1-NE 2.72Å; D149-R173 PolarHBondContact OD1-NE 2.96Å; D149-R173 IonicContact OD1-NH2 3.07Å; D149-R173 PolarHBondContact OD1-NH2 2.92Å; D149-R173 IonicContact OD2-NH2 3.95Å; D149-Y214 WeakPolarHBondContact OD1-CE1 2.98Å; D149-Y214 PolarHBondContact OD1-OH 2.73Å; D149-Y214 VanDerWaalsContact OD1-OH 3.08Å; D149-H418 IonicContact OD2-CD2 3.37Å; D149-H418 IonicContact OD2-NE2 3.89Å |
| 150 | P | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 7.7 Ų | 7.7 | 2% | 0.019 | 4% | 0.039 | C | C | . | . | S | Bend | trans | -58.5 | 142.9 | 167.4 | -25.6 | 37.1 | 0 | 0 | 0 | 112.3 | M112 H113 E115 H147 G152 R173 | M112-P150 HydrophobicContact CG-CG 4.24Å; M112-P150 HydrophobicContact SD-CG 4.42Å; H113-P150 VanDerWaalsContact O-CG 3.27Å; H113-P150 WeakPolarHBondContact O-CG 3.24Å; E115-P150 HydrophobicContact CB-CB 4.3Å; E115-P150 HydrophobicContact CG-CB 3.96Å; E115-P150 HydrophobicContact CG-CG 4.27Å; H147-P150 HydrophobicContact CB-CG 4.3Å; P150-G152 VanDerWaalsContact C-N 3.27Å; P150-G152 PolarHBondContact O-N 3.17Å; P150-R173 VanDerWaalsContact O-CB 3.31Å; P150-R173 WeakPolarHBondContact O-CB 3.36Å; P150-R173 WeakPolarHBondContact O-CD 3.36Å |
| 151 | F | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 6.4 Ų | 6.4 | 1% | 0.013 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -86.3 | 63.8 | -169.8 | -47.8 | -38.9 | 0 | 0 | 0 | 112.5 | D149 Y348 W356 F359 H418 T422 T424 Y640 | D149-F151 WeakPolarHBondContact O-CD1 3.29Å; D149-F151 WeakPolarHBondContact O-CE1 3.44Å; F151-Y348 HydrophobicContact CB-CD1 4.03Å; F151-Y348 VanDerWaalsContact O-CB 3.23Å; F151-Y348 WeakPolarHBondContact O-CB 3.37Å; F151-W356 HydrophobicContact CB-CE3 3.87Å; F151-W356 AromaticContact CD1-CE3 3.67Å; F151-W356 HydrophobicContact CD1-CE3 3.67Å; F151-W356 AromaticContact CD1-CZ3 3.43Å; F151-W356 HydrophobicContact CD1-CZ3 3.43Å; F151-W356 VanDerWaalsContact CD1-CZ3 3.43Å; F151-W356 AromaticContact CD2-CE3 3.97Å; F151-W356 HydrophobicContact CD2-CE3 3.97Å; F151-W356 HydrophobicContact CD2-CZ3 4.17Å; F151-W356 HydrophobicContact CE1-CE3 4.26Å; F151-W356 AromaticContact CE1-CZ3 3.6Å; F151-W356 HydrophobicContact CE1-CZ3 3.6Å; F151-W356 HydrophobicContact CE2-CE3 4.49Å; F151-W356 HydrophobicContact CE2-CZ3 4.3Å; F151-W356 AromaticContact CG-CE3 3.53Å; F151-W356 HydrophobicContact CG-CE3 3.53Å; F151-W356 AromaticContact CG-CZ3 3.76Å; F151-W356 HydrophobicContact CG-CZ3 3.76Å; F151-W356 HydrophobicContact CZ-CZ3 4.05Å; F151-F359 HydrophobicContact CB-CE1 3.65Å; F151-F359 HydrophobicContact CB-CZ 3.79Å; F151-F359 HydrophobicContact CD2-CD1 4.18Å; F151-F359 AromaticContact CD2-CE1 4Å; F151-F359 HydrophobicContact CD2-CE1 4Å; F151-F359 HydrophobicContact CD2-CE2 4.34Å; F151-F359 HydrophobicContact CD2-CG 4.41Å; F151-F359 HydrophobicContact CD2-CZ 4.07Å; F151-F359 HydrophobicContact CG-CE1 4.33Å; F151-F359 HydrophobicContact CG-CZ 4.47Å; F151-H418 WeakPolarHBondContact CE2-O 3.13Å; F151-H418 WeakPolarHBondContact CZ-O 3.33Å; F151-T422 HydrophobicContact CD2-CG2 4.32Å; F151-T422 HydrophobicContact CE2-CG2 4.23Å; F151-T424 HydrophobicContact CE2-CG2 4.12Å; F151-Y640 HydrophobicContact CD2-CD1 4.28Å; F151-Y640 HydrophobicContact CE1-CE1 4.41Å; F151-Y640 AromaticContact CE2-CD1 3.82Å; F151-Y640 HydrophobicContact CE2-CD1 3.82Å; F151-Y640 AromaticContact CE2-CE1 3.74Å; F151-Y640 HydrophobicContact CE2-CE1 3.74Å; F151-Y640 HydrophobicContact CZ-CD1 4.09Å; F151-Y640 AromaticContact CZ-CE1 3.64Å; F151-Y640 HydrophobicContact CZ-CE1 3.64Å |
| 152 | G | 97.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 5.3 Ų | 5.3 | 2% | 0.021 | 3% | 0.027 | C | C | . | . | S | Bend | trans | 117.1 | 167.8 | -166 | 0 | 0 | 0 | 0 | 0 | 110.2 | P150 R173 | P150-G152 VanDerWaalsContact C-N 3.27Å; P150-G152 PolarHBondContact O-N 3.17Å; G152-R173 VanDerWaalsContact CA-O 3.3Å; G152-R173 WeakPolarHBondContact CA-O 3.33Å; G152-R173 PolarHBondContact N-O 3.06Å |
| 153 | A | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 2% | 0.017 | 3% | 0.032 | C | C | . | . | trans | -129.5 | 132.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E115 I171 W192 D344 F345 | E115-A153 WeakPolarHBondContact OE2-CA 3.21Å; A153-I171 HydrophobicContact CB-CB 4.35Å; A153-I171 HydrophobicContact CB-CD1 3.89Å; A153-I171 HydrophobicContact CB-CG2 4.01Å; A153-W192 HydrophobicContact CB-CH2 4.27Å; A153-D344 WeakPolarHBondContact O-CB 3.12Å; A153-F345 HydrophobicContact CB-CB 4.12Å; A153-F345 HydrophobicContact CB-CD2 3.99Å; A153-F345 HydrophobicContact CB-CG 4.46Å; A153-F345 PolarHBondContact O-N 2.97Å | ||
| 154 | S | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | trans | -82.4 | 151.4 | -179.4 | 161.7 | 0 | 0 | 0 | 0 | 111.7 | E115 A156 P158 W192 D735 N736 | E115-S154 WeakPolarHBondContact O-CB 3.28Å; E115-S154 PolarHBondContact OE2-N 3.39Å; S154-A156 VanDerWaalsContact C-N 3.35Å; S154-A156 WeakPolarHBondContact OG-CB 3.24Å; S154-A156 PolarHBondContact OG-N 2.86Å; S154-P158 WeakPolarHBondContact O-CD 3.41Å; S154-W192 WeakPolarHBondContact O-CH2 3.44Å; S154-W192 WeakPolarHBondContact O-CZ2 3.38Å; S154-D735 WeakPolarHBondContact CB-OD1 3.44Å; S154-D735 VanDerWaalsContact OG-CG 3.29Å; S154-D735 PolarHBondContact OG-OD1 3.01Å; S154-D735 PolarHBondContact OG-OD2 2.89Å; S154-N736 WeakPolarHBondContact CB-OD1 3.15Å; S154-N736 PolarHBondContact OG-OD1 2.94Å | ||
| 155 | A | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | S | Bend | trans | -82.2 | -13.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P158 W192 G194 S342 D344 D735 | A155-P158 WeakPolarHBondContact O-CG 3.1Å; A155-W192 HydrophobicContact CB-CZ2 4.14Å; A155-G194 CarbonylContact O-C 3.58Å; A155-G194 WeakPolarHBondContact O-CA 3.31Å; A155-S342 WeakPolarHBondContact CB-O 3.47Å; A155-D344 HydrophobicContact CB-CB 4.18Å; A155-D735 VanDerWaalsContact CA-OD2 3.3Å; A155-D735 WeakPolarHBondContact CA-OD2 3.26Å; A155-D735 VanDerWaalsContact CB-OD2 3.31Å; A155-D735 WeakPolarHBondContact CB-OD2 3.11Å; A155-D735 PolarHBondContact N-OD2 2.88Å |
| 156 | A | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | S | Bend | trans | -76.5 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S154 V159 L160 D735 N736 Y738 | S154-A156 VanDerWaalsContact C-N 3.35Å; S154-A156 WeakPolarHBondContact OG-CB 3.24Å; S154-A156 PolarHBondContact OG-N 2.86Å; A156-V159 WeakPolarHBondContact O-CA 3.45Å; A156-V159 VanDerWaalsContact O-CB 3.28Å; A156-V159 WeakPolarHBondContact O-CB 3.41Å; A156-V159 PolarHBondContact O-N 3.45Å; A156-L160 PolarHBondContact O-N 2.83Å; A156-L160 VanDerWaalsContact O-N 3.14Å; A156-D735 PolarHBondContact N-OD2 2.7Å; A156-N736 HydrophobicContact CB-CB 4.43Å; A156-Y738 HydrophobicContact CB-CD1 3.84Å; A156-Y738 HydrophobicContact CB-CG 4.22Å |
| 157 | T | 97.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 2.8 Ų | 2.8 | 1% | 0.006 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -49.7 | -48.4 | -179.7 | -55.6 | 0 | 0 | 0 | 0 | 114.8 | E115 V159 L160 F161 | E115-T157 HydrophobicContact CG-CG2 4.38Å; E115-T157 PolarHBondContact OE2-OG1 2.69Å; T157-V159 VanDerWaalsContact C-N 3.26Å; T157-V159 PolarHBondContact O-N 3.09Å; T157-L160 WeakPolarHBondContact O-CB 3.44Å; T157-L160 PolarHBondContact O-N 3.19Å; T157-L160 VanDerWaalsContact O-N 3.13Å; T157-F161 HydrophobicContact CG2-CD2 3.9Å; T157-F161 HydrophobicContact CG2-CE2 3.35Å; T157-F161 HydrophobicContact CG2-CZ 3.74Å; T157-F161 PolarHBondContact O-N 3.23Å |
| 158 | P | 96.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.006 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -62.4 | -30.5 | 176.7 | 24.9 | -37.3 | 0 | 0 | 0 | 113.5 | S154 A155 S162 W192 I204 | S154-P158 WeakPolarHBondContact O-CD 3.41Å; A155-P158 WeakPolarHBondContact O-CG 3.1Å; P158-S162 WeakPolarHBondContact O-CB 3.16Å; P158-S162 PolarHBondContact O-N 2.85Å; P158-W192 HydrophobicContact CB-CD2 4.21Å; P158-W192 HydrophobicContact CB-CE3 3.79Å; P158-W192 HydrophobicContact CB-CZ3 4.21Å; P158-W192 HydrophobicContact CG-CD2 3.78Å; P158-W192 HydrophobicContact CG-CE3 3.59Å; P158-W192 HydrophobicContact CG-CG 4.45Å; P158-W192 HydrophobicContact CG-CH2 4.05Å; P158-W192 HydrophobicContact CG-CZ2 4.23Å; P158-W192 HydrophobicContact CG-CZ3 3.73Å; P158-I204 HydrophobicContact CB-CG2 3.5Å; P158-I204 VanDerWaalsContact CB-CG2 3.5Å |
| 159 | V | 97.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.006 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 175 | -180 | 0 | 0 | 0 | 0 | 110.1 | A156 T157 S162 L163 L198 Q202 Y738 | A156-V159 WeakPolarHBondContact O-CA 3.45Å; A156-V159 VanDerWaalsContact O-CB 3.28Å; A156-V159 WeakPolarHBondContact O-CB 3.41Å; A156-V159 PolarHBondContact O-N 3.45Å; T157-V159 VanDerWaalsContact C-N 3.26Å; T157-V159 PolarHBondContact O-N 3.09Å; V159-S162 WeakPolarHBondContact O-CB 3.26Å; V159-S162 PolarHBondContact O-N 2.95Å; V159-L163 HydrophobicContact CG1-CD1 4.12Å; V159-L163 WeakPolarHBondContact O-CG 3.27Å; V159-L163 PolarHBondContact O-N 2.93Å; V159-L198 HydrophobicContact CG1-CD1 3.92Å; V159-Q202 HydrophobicContact CG1-CB 4.18Å; V159-Q202 HydrophobicContact CG1-CG 4.47Å; V159-Y738 HydrophobicContact CG1-CE1 4.37Å |
| 160 | L | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 2.1 Ų | 2.1 | 3% | 0.026 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.7 | -59.4 | -174.8 | 0 | 0 | 0 | 112.1 | L120 E123 I124 A156 T157 S162 L163 A164 L960 I1002 | L120-L160 HydrophobicContact CD1-CD1 3.8Å; L120-L160 HydrophobicContact CD1-CD2 3.69Å; L120-L160 HydrophobicContact CD1-CG 4.16Å; E123-L160 HydrophobicContact CB-CD1 4.03Å; E123-L160 WeakPolarHBondContact OE2-CD1 3Å; I124-L160 HydrophobicContact CD1-CD2 4.25Å; I124-L160 HydrophobicContact CG1-CD1 4.25Å; I124-L160 HydrophobicContact CG1-CD2 4.22Å; A156-L160 PolarHBondContact O-N 2.83Å; A156-L160 VanDerWaalsContact O-N 3.14Å; T157-L160 WeakPolarHBondContact O-CB 3.44Å; T157-L160 PolarHBondContact O-N 3.19Å; T157-L160 VanDerWaalsContact O-N 3.13Å; L160-S162 VanDerWaalsContact C-N 3.34Å; L160-S162 PolarHBondContact O-N 2.62Å; L160-L163 CarbonylContact O-C 3.6Å; L160-L163 PolarHBondContact O-N 3.41Å; L160-A164 WeakPolarHBondContact O-CB 3.4Å; L160-A164 PolarHBondContact O-N 2.7Å; L160-L960 HydrophobicContact CB-CD2 3.76Å; L160-L960 HydrophobicContact CD2-CD2 3.88Å; L160-L960 HydrophobicContact CG-CD2 4.38Å; L160-L960 VanDerWaalsContact O-CD2 3.29Å; L160-L960 WeakPolarHBondContact O-CD2 3.33Å; L160-I1002 HydrophobicContact CD2-CD1 4.21Å |
| 161 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 2.1 Ų | 2.1 | 0% | 0.004 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 175.8 | -68.5 | -28.5 | 0 | 0 | 0 | 112.6 | I107 H113 L127 H147 T157 L163 A164 G165 F166 H169 I204 | I107-F161 HydrophobicContact CG2-CZ 4.46Å; H113-F161 AromaticContact CE1-CZ 3.94Å; L127-F161 HydrophobicContact CD1-CE1 4.27Å; L127-F161 HydrophobicContact CD2-CD1 4.24Å; L127-F161 HydrophobicContact CD2-CE1 4.25Å; H147-F161 AromaticContact CD2-CE2 3.89Å; H147-F161 AromaticContact CD2-CZ 3.74Å; H147-F161 AromaticContact CE1-CZ 3.95Å; H147-F161 AromaticContact NE2-CE2 3.98Å; H147-F161 AromaticContact NE2-CZ 3.4Å; H147-F161 WeakPolarHBondContact NE2-CZ 3.39Å; T157-F161 HydrophobicContact CG2-CD2 3.9Å; T157-F161 HydrophobicContact CG2-CE2 3.35Å; T157-F161 HydrophobicContact CG2-CZ 3.74Å; T157-F161 PolarHBondContact O-N 3.23Å; F161-L163 VanDerWaalsContact C-N 3.35Å; F161-L163 PolarHBondContact O-N 3.16Å; F161-A164 PolarHBondContact O-N 3.05Å; F161-G165 PolarHBondContact O-N 3.36Å; F161-G165 VanDerWaalsContact O-N 3.12Å; F161-F166 HydrophobicContact CB-CB 4Å; F161-F166 HydrophobicContact CB-CD2 3.8Å; F161-F166 HydrophobicContact CB-CE2 4.4Å; F161-F166 HydrophobicContact CB-CG 3.88Å; F161-F166 HydrophobicContact CD1-CD2 4.08Å; F161-F166 AromaticContact CD1-CE2 3.8Å; F161-F166 HydrophobicContact CD1-CE2 3.8Å; F161-F166 HydrophobicContact CD1-CZ 4.08Å; F161-F166 HydrophobicContact CD2-CD2 4.46Å; F161-F166 HydrophobicContact CE1-CE2 4.22Å; F161-F166 HydrophobicContact CE1-CZ 4.48Å; F161-F166 AromaticContact CG-CD2 3.87Å; F161-F166 HydrophobicContact CG-CD2 3.87Å; F161-F166 HydrophobicContact CG-CE2 4.03Å; F161-F166 HydrophobicContact CG-CG 4.39Å; F161-F166 VanDerWaalsContact O-CB 3.31Å; F161-F166 WeakPolarHBondContact O-CB 3.1Å; F161-F166 PolarHBondContact O-N 2.83Å; F161-H169 AromaticContact CD2-CE1 3.77Å; F161-H169 AromaticContact CD2-ND1 3.4Å; F161-H169 WeakPolarHBondContact CD2-ND1 3.28Å; F161-H169 AromaticContact CE2-CE1 3.59Å; F161-H169 AromaticContact CE2-ND1 3.54Å; F161-I204 HydrophobicContact CB-CD1 4.08Å |
| 162 | S | 97.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 2 Ų | 2 | 1% | 0.007 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -56.5 | -48.2 | 171.2 | 175 | 0 | 0 | 0 | 0 | 111.7 | P158 V159 L160 A164 G165 Q202 R971 | P158-S162 WeakPolarHBondContact O-CB 3.16Å; P158-S162 PolarHBondContact O-N 2.85Å; V159-S162 WeakPolarHBondContact O-CB 3.26Å; V159-S162 PolarHBondContact O-N 2.95Å; L160-S162 VanDerWaalsContact C-N 3.34Å; L160-S162 PolarHBondContact O-N 2.62Å; S162-A164 VanDerWaalsContact C-N 3.32Å; S162-A164 PolarHBondContact O-N 2.92Å; S162-G165 PolarHBondContact O-N 3.39Å; S162-G165 VanDerWaalsContact O-N 3.17Å; S162-Q202 WeakPolarHBondContact OG-CA 3.19Å; S162-Q202 PolarHBondContact OG-OE1 3.36Å; S162-R971 VanDerWaalsContact O-CD 3.3Å; S162-R971 WeakPolarHBondContact O-CD 3.46Å; S162-R971 PolarHBondContact OG-NH1 3.04Å; S162-R971 PolarHBondContact OG-NH2 3.44Å |
| 163 | L | 97.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 4 Ų | 4 | 12% | 0.12 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -67.6 | -28.4 | 177.9 | -70.8 | 167.4 | 0 | 0 | 0 | 113.4 | V159 L160 F161 G165 Q202 S959 L960 I1002 | V159-L163 HydrophobicContact CG1-CD1 4.12Å; V159-L163 WeakPolarHBondContact O-CG 3.27Å; V159-L163 PolarHBondContact O-N 2.93Å; L160-L163 CarbonylContact O-C 3.6Å; L160-L163 PolarHBondContact O-N 3.41Å; F161-L163 VanDerWaalsContact C-N 3.35Å; F161-L163 PolarHBondContact O-N 3.16Å; L163-G165 VanDerWaalsContact C-N 3.27Å; L163-Q202 VanDerWaalsContact CD2-CD 3.49Å; L163-Q202 HydrophobicContact CD2-CG 4.33Å; L163-S959 WeakPolarHBondContact O-CB 3.28Å; L163-L960 HydrophobicContact CB-CB 3.87Å; L163-L960 HydrophobicContact CB-CD2 4.22Å; L163-L960 HydrophobicContact CB-CG 4.45Å; L163-L960 PolarHBondContact O-N 2.87Å; L163-I1002 HydrophobicContact CD1-CB 4.2Å; L163-I1002 HydrophobicContact CD1-CD1 4.46Å |
| 164 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -75.1 | -17.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L127 L160 F161 S162 F166 L960 T961 | L127-A164 HydrophobicContact CD2-CB 3.97Å; L160-A164 WeakPolarHBondContact O-CB 3.4Å; L160-A164 PolarHBondContact O-N 2.7Å; F161-A164 PolarHBondContact O-N 3.05Å; S162-A164 VanDerWaalsContact C-N 3.32Å; S162-A164 PolarHBondContact O-N 2.92Å; A164-F166 HydrophobicContact CB-CD1 4.12Å; A164-F166 HydrophobicContact CB-CE1 4.1Å; A164-L960 HydrophobicContact CB-CB 4.26Å; A164-T961 HydrophobicContact CB-CG2 4.39Å |
| 165 | G | 96.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.01 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110 | 18.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | F161 S162 L163 | F161-G165 PolarHBondContact O-N 3.36Å; F161-G165 VanDerWaalsContact O-N 3.12Å; S162-G165 PolarHBondContact O-N 3.39Å; S162-G165 VanDerWaalsContact O-N 3.17Å; L163-G165 VanDerWaalsContact C-N 3.27Å |
| 166 | F | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | trans | -79.4 | 141 | -174.5 | -73 | 31.7 | 0 | 0 | 0 | 111.8 | I107 H131 P142 Q143 F144 F161 A164 I204 R971 | I107-F166 WeakPolarHBondContact O-CZ 3.41Å; H131-F166 AromaticContact CE1-CE1 3.78Å; P142-F166 HydrophobicContact CB-CE1 4.21Å; P142-F166 HydrophobicContact CB-CZ 4.14Å; P142-F166 WeakPolarHBondContact O-CE1 3.28Å; Q143-F166 CarbonylContact O-C 3.4Å; Q143-F166 VanDerWaalsContact O-CA 3.27Å; Q143-F166 WeakPolarHBondContact O-CA 3.41Å; Q143-F166 WeakPolarHBondContact O-CB 3.43Å; F144-F166 VanDerWaalsContact C-CD2 3.49Å; F144-F166 VanDerWaalsContact C-CE2 3.47Å; F144-F166 WeakPolarHBondContact O-CE2 3.05Å; F161-F166 HydrophobicContact CB-CB 4Å; F161-F166 HydrophobicContact CB-CD2 3.8Å; F161-F166 HydrophobicContact CB-CE2 4.4Å; F161-F166 HydrophobicContact CB-CG 3.88Å; F161-F166 HydrophobicContact CD1-CD2 4.08Å; F161-F166 AromaticContact CD1-CE2 3.8Å; F161-F166 HydrophobicContact CD1-CE2 3.8Å; F161-F166 HydrophobicContact CD1-CZ 4.08Å; F161-F166 HydrophobicContact CD2-CD2 4.46Å; F161-F166 HydrophobicContact CE1-CE2 4.22Å; F161-F166 HydrophobicContact CE1-CZ 4.48Å; F161-F166 AromaticContact CG-CD2 3.87Å; F161-F166 HydrophobicContact CG-CD2 3.87Å; F161-F166 HydrophobicContact CG-CE2 4.03Å; F161-F166 HydrophobicContact CG-CG 4.39Å; F161-F166 VanDerWaalsContact O-CB 3.31Å; F161-F166 WeakPolarHBondContact O-CB 3.1Å; F161-F166 PolarHBondContact O-N 2.83Å; A164-F166 HydrophobicContact CB-CD1 4.12Å; A164-F166 HydrophobicContact CB-CE1 4.1Å; F166-I204 HydrophobicContact CB-CD1 3.77Å; F166-R971 WeakPolarHBondContact O-CD 3.19Å; F166-R971 PolarHBondContact O-NH1 2.64Å | ||
| 167 | N | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -86.7 | -32.4 | 178.6 | -67.7 | -48.2 | 0 | 0 | 0 | 112.8 | Q143 F144 R971 W972 W974 | Q143-N167 PolarHBondContact O-N 3.09Å; Q143-N167 PolarHBondContact OE1-ND2 3.44Å; F144-N167 HydrophobicContact CD1-CB 4.44Å; F144-N167 HydrophobicContact CE1-CB 3.81Å; F144-N167 HydrophobicContact CZ-CB 4.25Å; N167-R971 WeakPolarHBondContact OD1-CA 3.46Å; N167-W972 HydrophobicContact CB-CB 4.2Å; N167-W972 HydrophobicContact CB-CD2 3.72Å; N167-W972 HydrophobicContact CB-CE3 3.84Å; N167-W972 HydrophobicContact CB-CG 3.91Å; N167-W972 HydrophobicContact CB-CZ3 4.41Å; N167-W972 PolarHBondContact OD1-N 2.87Å; N167-W974 PolarHBondContact O-NE1 2.88Å |
| 168 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | F144 S145 F205 F327 W974 | F144-A168 HydrophobicContact CD1-CB 4.07Å; F144-A168 HydrophobicContact CE1-CB 4.4Å; S145-A168 PolarHBondContact N-O 3.38Å; A168-F205 CarbonylContact C-O 3.59Å; A168-F205 WeakPolarHBondContact CA-O 3.05Å; A168-F205 HydrophobicContact CB-CB 4.44Å; A168-F205 HydrophobicContact CB-CD1 4.16Å; A168-F327 HydrophobicContact CB-CB 4.41Å; A168-F327 HydrophobicContact CB-CD1 3.61Å; A168-F327 HydrophobicContact CB-CD2 3.85Å; A168-F327 HydrophobicContact CB-CE1 3.65Å; A168-F327 HydrophobicContact CB-CE2 3.87Å; A168-F327 HydrophobicContact CB-CG 3.72Å; A168-F327 HydrophobicContact CB-CZ 3.78Å; A168-W974 HydrophobicContact CB-CZ2 4.38Å |
| 169 | H | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.4 | -178.4 | 179.7 | 51.9 | 0 | 0 | 0 | 109.5 | S145 F161 I171 W192 I204 F205 T206 H207 | S145-H169 VanDerWaalsContact OG-CA 3.25Å; S145-H169 WeakPolarHBondContact OG-CA 3.4Å; S145-H169 PolarHBondContact OG-ND1 3.08Å; F161-H169 AromaticContact CD2-CE1 3.77Å; F161-H169 AromaticContact CD2-ND1 3.4Å; F161-H169 WeakPolarHBondContact CD2-ND1 3.28Å; F161-H169 AromaticContact CE2-CE1 3.59Å; F161-H169 AromaticContact CE2-ND1 3.54Å; H169-I171 WeakPolarHBondContact NE2-CG2 3.47Å; H169-W192 AromaticContact CD2-CE3 4Å; H169-W192 AromaticContact CD2-CZ3 3.91Å; H169-W192 AromaticContact NE2-CZ3 3.88Å; H169-I204 HydrophobicContact CB-CD1 3.95Å; H169-I204 HydrophobicContact CB-CG1 4.14Å; H169-I204 HydrophobicContact CB-CG2 4.27Å; H169-F205 PolarHBondContact N-O 3.4Å; H169-T206 CarbonylContact O-C 3.51Å; H169-T206 VanDerWaalsContact O-CA 3.28Å; H169-T206 WeakPolarHBondContact O-CA 3.42Å; H169-H207 PolarHBondContact O-N 3.01Å |
| 170 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.5 | 175.6 | -175.7 | 150.8 | 0 | 0 | 0 | 109.4 | S145 W146 H147 V148 H207 M209 L281 L323 F327 | S145-L170 WeakPolarHBondContact O-CB 3.28Å; S145-L170 PolarHBondContact OG-N 3.38Å; W146-L170 HydrophobicContact CD2-CD2 4.28Å; W146-L170 HydrophobicContact CE3-CD1 3.91Å; W146-L170 HydrophobicContact CE3-CD2 3.99Å; W146-L170 HydrophobicContact CE3-CG 4.48Å; W146-L170 HydrophobicContact CZ3-CD1 3.84Å; W146-L170 HydrophobicContact CZ3-CD2 4.38Å; H147-L170 WeakPolarHBondContact CB-O 3.49Å; H147-L170 PolarHBondContact N-O 2.94Å; V148-L170 HydrophobicContact CG1-CD2 3.42Å; V148-L170 VanDerWaalsContact CG1-CD2 3.42Å; L170-H207 CarbonylContact C-O 3.52Å; L170-H207 VanDerWaalsContact CA-O 3.28Å; L170-H207 WeakPolarHBondContact CA-O 3.35Å; L170-H207 HydrophobicContact CG-CB 4.49Å; L170-M209 HydrophobicContact CD1-CG 4.5Å; L170-M209 HydrophobicContact CD2-CG 3.76Å; L170-M209 HydrophobicContact CD2-SD 3.9Å; L170-M209 HydrophobicContact CG-CG 4.25Å; L170-L281 HydrophobicContact CD1-CD1 3.7Å; L170-L323 HydrophobicContact CD1-CD1 4.28Å; L170-F327 HydrophobicContact CB-CZ 4.28Å |
| 171 | I | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 161.6 | 175.6 | 62.5 | 175.2 | 0 | 0 | 0 | 110.6 | H147 A153 H169 I174 W192 T206 H207 T208 M209 F345 | H147-I171 HydrophobicContact CB-CG2 4.38Å; H147-I171 VanDerWaalsContact O-CA 3.28Å; H147-I171 WeakPolarHBondContact O-CA 3.27Å; A153-I171 HydrophobicContact CB-CB 4.35Å; A153-I171 HydrophobicContact CB-CD1 3.89Å; A153-I171 HydrophobicContact CB-CG2 4.01Å; H169-I171 WeakPolarHBondContact NE2-CG2 3.47Å; I171-I174 HydrophobicContact CD1-CG2 4.01Å; I171-W192 HydrophobicContact CD1-CZ3 4.48Å; I171-T206 HydrophobicContact CD1-CG2 4.22Å; I171-T206 HydrophobicContact CG1-CG2 4.09Å; I171-H207 PolarHBondContact N-O 3.31Å; I171-T208 HydrophobicContact CD1-CG2 4.47Å; I171-T208 HydrophobicContact CG1-CG2 4.17Å; I171-T208 CarbonylContact O-C 3.59Å; I171-T208 WeakPolarHBondContact O-CA 3.12Å; I171-M209 WeakPolarHBondContact O-CG 3.44Å; I171-M209 PolarHBondContact O-N 2.73Å; I171-F345 HydrophobicContact CD1-CD2 3.78Å; I171-F345 HydrophobicContact CD1-CE2 3.65Å; I171-F345 HydrophobicContact CD1-CG 4.44Å; I171-F345 HydrophobicContact CD1-CZ 4.21Å |
| 172 | S | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -126.5 | -55.7 | 172.2 | -172.8 | 0 | 0 | 0 | 0 | 114.4 | H147 V148 I174 K179 S213 | H147-S172 PolarHBondContact O-N 2.77Å; V148-S172 VanDerWaalsContact O-CB 3.29Å; V148-S172 WeakPolarHBondContact O-CB 3.16Å; S172-I174 PolarHBondContact O-N 3.05Å; S172-K179 VanDerWaalsContact O-CE 3.25Å; S172-K179 WeakPolarHBondContact O-CE 3.29Å; S172-K179 PolarHBondContact O-NZ 2.88Å; S172-S213 PolarHBondContact OG-OG 3.29Å | ||
| 173 | R | 98 | Very high | 97.7 | Very high | 44 Ų | 44 | 20.1 Ų | 20.1 | 17% | 0.166 | 11% | 0.105 | C | C | . | . | trans | -80.9 | 105 | -167.6 | -63.4 | 179.7 | 178.7 | -88.9 | 6 | 111.2 | D149 P150 G152 Y348 | D149-R173 IonicContact OD1-CZ 3.99Å; D149-R173 IonicContact OD1-NE 2.72Å; D149-R173 PolarHBondContact OD1-NE 2.96Å; D149-R173 IonicContact OD1-NH2 3.07Å; D149-R173 PolarHBondContact OD1-NH2 2.92Å; D149-R173 IonicContact OD2-NH2 3.95Å; P150-R173 VanDerWaalsContact O-CB 3.31Å; P150-R173 WeakPolarHBondContact O-CB 3.36Å; P150-R173 WeakPolarHBondContact O-CD 3.36Å; G152-R173 VanDerWaalsContact CA-O 3.3Å; G152-R173 WeakPolarHBondContact CA-O 3.33Å; G152-R173 PolarHBondContact N-O 3.06Å; R173-Y348 HydrophobicContact CB-CD1 4.38Å; R173-Y348 HydrophobicContact CB-CD2 4.11Å; R173-Y348 HydrophobicContact CB-CE1 4.09Å; R173-Y348 HydrophobicContact CB-CE2 3.85Å; R173-Y348 HydrophobicContact CB-CG 4.38Å; R173-Y348 HydrophobicContact CG-CE1 4.36Å; R173-Y348 PolarHBondContact NH1-OH 2.89Å | ||
| 174 | I | 98 | Very high | 97.7 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | trans | -133 | 162.1 | 173.6 | 68.5 | 163.2 | 0 | 0 | 0 | 109 | I171 S172 Y176 L178 K179 M182 T208 F345 Y348 | I171-I174 HydrophobicContact CD1-CG2 4.01Å; S172-I174 PolarHBondContact O-N 3.05Å; I174-Y176 PolarHBondContact O-N 3.31Å; I174-L178 HydrophobicContact CD1-CD2 4.33Å; I174-L178 HydrophobicContact CD1-CG 4.2Å; I174-K179 HydrophobicContact CD1-CB 4.02Å; I174-K179 HydrophobicContact CG1-CB 3.9Å; I174-K179 HydrophobicContact CG1-CG 4.4Å; I174-M182 HydrophobicContact CD1-SD 3.68Å; I174-T208 HydrophobicContact CD1-CG2 3.81Å; I174-T208 HydrophobicContact CG1-CG2 4.14Å; I174-T208 HydrophobicContact CG2-CG2 4.28Å; I174-F345 HydrophobicContact CB-CB 4.12Å; I174-F345 HydrophobicContact CB-CD1 3.77Å; I174-F345 HydrophobicContact CB-CG 4.21Å; I174-F345 HydrophobicContact CD1-CD1 4.06Å; I174-F345 HydrophobicContact CD1-CE1 4.01Å; I174-F345 HydrophobicContact CG2-CB 3.64Å; I174-F345 HydrophobicContact CG2-CD1 3.45Å; I174-F345 VanDerWaalsContact CG2-CD1 3.45Å; I174-F345 HydrophobicContact CG2-CD2 4.28Å; I174-F345 HydrophobicContact CG2-CE1 4.11Å; I174-F345 HydrophobicContact CG2-CG 3.54Å; I174-Y348 WeakPolarHBondContact O-CD2 3.39Å; I174-Y348 WeakPolarHBondContact O-CE2 3.25Å | ||
| 175 | D | 97.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | trans | -48.4 | 133.5 | 178.7 | 177.8 | -94.4 | 0 | 0 | 0 | 112.9 | D177 L178 K179 R755 | D175-D177 PolarHBondContact O-N 3.12Å; D175-D177 WeakPolarHBondContact OD1-CB 3.3Å; D175-D177 PolarHBondContact OD1-N 3.13Å; D175-D177 VanDerWaalsContact OD1-N 3.16Å; D175-L178 HydrophobicContact CB-CB 4.16Å; D175-L178 WeakPolarHBondContact O-CB 3.31Å; D175-L178 PolarHBondContact O-N 3.03Å; D175-L178 PolarHBondContact OD1-N 3.37Å; D175-K179 PolarHBondContact O-N 2.92Å; D175-R755 IonicContact OD1-NH2 3.36Å; D175-R755 PolarHBondContact OD1-NH2 2.94Å; D175-R755 VanDerWaalsContact OD1-NH2 3.07Å; D175-R755 IonicContact OD2-CZ 3.22Å; D175-R755 IonicContact OD2-NE 2.8Å; D175-R755 PolarHBondContact OD2-NE 3.15Å; D175-R755 IonicContact OD2-NH2 2.89Å; D175-R755 PolarHBondContact OD2-NH2 2.77Å | ||
| 176 | Y | 96.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 35.4 Ų | 35.4 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | -172.6 | 74.8 | -80.4 | 0 | 0 | 0 | 113.8 | I174 L178 K179 D180 S349 T350 P352 R755 | I174-Y176 PolarHBondContact O-N 3.31Å; Y176-L178 VanDerWaalsContact C-N 3.32Å; Y176-K179 PolarHBondContact O-N 2.92Å; Y176-D180 WeakPolarHBondContact O-CB 3.3Å; Y176-D180 PolarHBondContact O-N 3.23Å; Y176-S349 PolarHBondContact N-O 2.8Å; Y176-T350 WeakPolarHBondContact CB-O 3.21Å; Y176-P352 HydrophobicContact CE2-CG 3.77Å; Y176-P352 WeakPolarHBondContact OH-CA 3.23Å; Y176-R755 PolarHBondContact OH-NH1 3.22Å |
| 177 | D | 95.1 | Very high | 97.7 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 177.8 | -69 | -46.9 | 0 | 0 | 0 | 109.6 | D175 G181 R755 | D175-D177 PolarHBondContact O-N 3.12Å; D175-D177 WeakPolarHBondContact OD1-CB 3.3Å; D175-D177 PolarHBondContact OD1-N 3.13Å; D175-D177 VanDerWaalsContact OD1-N 3.16Å; D177-G181 PolarHBondContact O-N 2.81Å; D177-R755 IonicContact OD2-CZ 2.77Å; D177-R755 IonicContact OD2-NH1 3.92Å; D177-R755 PolarHBondContact OD2-NH1 2.57Å; D177-R755 IonicContact OD2-NH2 3.75Å; D177-R755 PolarHBondContact OD2-NH2 2.87Å |
| 178 | L | 96.4 | Very high | 97.7 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 34% | 0.34 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.9 | 179.8 | 60.3 | 0 | 0 | 0 | 111.6 | I174 D175 Y176 G181 M182 F345 | I174-L178 HydrophobicContact CD1-CD2 4.33Å; I174-L178 HydrophobicContact CD1-CG 4.2Å; D175-L178 HydrophobicContact CB-CB 4.16Å; D175-L178 WeakPolarHBondContact O-CB 3.31Å; D175-L178 PolarHBondContact O-N 3.03Å; D175-L178 PolarHBondContact OD1-N 3.37Å; Y176-L178 VanDerWaalsContact C-N 3.32Å; L178-G181 PolarHBondContact O-N 3.07Å; L178-M182 HydrophobicContact CD1-CG 4.11Å; L178-M182 HydrophobicContact CD1-SD 3.96Å; L178-M182 HydrophobicContact CD2-SD 4.4Å; L178-M182 HydrophobicContact CG-CG 4.41Å; L178-M182 HydrophobicContact CG-SD 3.82Å; L178-M182 WeakPolarHBondContact O-CB 3.1Å; L178-M182 VanDerWaalsContact O-CG 3.29Å; L178-M182 WeakPolarHBondContact O-CG 3.18Å; L178-M182 PolarHBondContact O-N 3.17Å; L178-F345 HydrophobicContact CD2-CD1 3.63Å; L178-F345 HydrophobicContact CD2-CE1 3.83Å |
| 179 | K | 97.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 10% | 0.1 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 178.3 | -172 | 172.5 | -75.1 | -146.3 | 0 | 111.4 | S172 I174 D175 Y176 G181 M182 Q183 M209 D210 | S172-K179 VanDerWaalsContact O-CE 3.25Å; S172-K179 WeakPolarHBondContact O-CE 3.29Å; S172-K179 PolarHBondContact O-NZ 2.88Å; I174-K179 HydrophobicContact CD1-CB 4.02Å; I174-K179 HydrophobicContact CG1-CB 3.9Å; I174-K179 HydrophobicContact CG1-CG 4.4Å; D175-K179 PolarHBondContact O-N 2.92Å; Y176-K179 PolarHBondContact O-N 2.92Å; K179-G181 VanDerWaalsContact C-N 3.34Å; K179-G181 PolarHBondContact O-N 2.9Å; K179-M182 PolarHBondContact O-N 3.33Å; K179-Q183 HydrophobicContact CG-CG 4.42Å; K179-Q183 WeakPolarHBondContact O-CB 3.41Å; K179-Q183 VanDerWaalsContact O-CG 3.31Å; K179-Q183 WeakPolarHBondContact O-CG 3.42Å; K179-Q183 PolarHBondContact O-N 2.81Å; K179-M209 PolarHBondContact NZ-O 3.07Å; K179-D210 PolarHBondContact NZ-O 3.05Å; K179-D210 VanDerWaalsContact NZ-O 3.11Å |
| 180 | D | 97.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 36% | 0.358 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 176.6 | 176.7 | 57.3 | 0 | 0 | 0 | 111.5 | Y176 M182 Q183 K184 | Y176-D180 WeakPolarHBondContact O-CB 3.3Å; Y176-D180 PolarHBondContact O-N 3.23Å; D180-M182 PolarHBondContact O-N 3.12Å; D180-Q183 PolarHBondContact O-N 2.8Å; D180-K184 VanDerWaalsContact CG-NZ 3.34Å; D180-K184 WeakPolarHBondContact O-CG 3.22Å; D180-K184 PolarHBondContact O-N 2.76Å; D180-K184 WeakPolarHBondContact OD1-CE 3.16Å; D180-K184 IonicContact OD1-NZ 2.65Å; D180-K184 PolarHBondContact OD1-NZ 3.38Å; D180-K184 WeakPolarHBondContact OD2-CE 3.27Å; D180-K184 IonicContact OD2-NZ 3.3Å; D180-K184 PolarHBondContact OD2-NZ 2.93Å |
| 181 | G | 97.9 | Very high | 97.7 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 27% | 0.268 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | D177 L178 K179 N185 | D177-G181 PolarHBondContact O-N 2.81Å; L178-G181 PolarHBondContact O-N 3.07Å; K179-G181 VanDerWaalsContact C-N 3.34Å; K179-G181 PolarHBondContact O-N 2.9Å; G181-N185 WeakPolarHBondContact O-CB 3.34Å; G181-N185 PolarHBondContact O-N 2.89Å; G181-N185 PolarHBondContact O-ND2 3.06Å |
| 182 | M | 98.2 | Very high | 97.6 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.5 | -39.6 | 178.9 | -72.4 | 174.4 | 73.6 | 0 | 0 | 112.1 | I174 L178 K179 D180 N185 K186 K187 L188 F190 F345 | I174-M182 HydrophobicContact CD1-SD 3.68Å; L178-M182 HydrophobicContact CD1-CG 4.11Å; L178-M182 HydrophobicContact CD1-SD 3.96Å; L178-M182 HydrophobicContact CD2-SD 4.4Å; L178-M182 HydrophobicContact CG-CG 4.41Å; L178-M182 HydrophobicContact CG-SD 3.82Å; L178-M182 WeakPolarHBondContact O-CB 3.1Å; L178-M182 VanDerWaalsContact O-CG 3.29Å; L178-M182 WeakPolarHBondContact O-CG 3.18Å; L178-M182 PolarHBondContact O-N 3.17Å; K179-M182 PolarHBondContact O-N 3.33Å; D180-M182 PolarHBondContact O-N 3.12Å; M182-N185 CarbonylContact O-C 3.53Å; M182-N185 PolarHBondContact O-N 2.76Å; M182-K186 PolarHBondContact O-N 2.66Å; M182-K187 HydrophobicContact CB-CB 4.27Å; M182-K187 WeakPolarHBondContact CE-O 3.47Å; M182-K187 HydrophobicContact CG-CB 4.26Å; M182-K187 PolarHBondContact O-N 3.46Å; M182-L188 HydrophobicContact CB-CD2 3.85Å; M182-L188 HydrophobicContact CB-CG 4.33Å; M182-L188 HydrophobicContact CE-CD2 4.44Å; M182-F190 HydrophobicContact CE-CD1 4.14Å; M182-F190 HydrophobicContact CE-CE1 3.75Å; M182-F345 HydrophobicContact CE-CE1 4.39Å; M182-F345 HydrophobicContact SD-CE1 4.11Å |
| 183 | Q | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -52.2 | 175.8 | -77.1 | 179.3 | 155.2 | 0 | 0 | 111.9 | K179 D180 N185 K186 L188 W274 | K179-Q183 HydrophobicContact CG-CG 4.42Å; K179-Q183 WeakPolarHBondContact O-CB 3.41Å; K179-Q183 VanDerWaalsContact O-CG 3.31Å; K179-Q183 WeakPolarHBondContact O-CG 3.42Å; K179-Q183 PolarHBondContact O-N 2.81Å; D180-Q183 PolarHBondContact O-N 2.8Å; Q183-N185 PolarHBondContact O-N 2.85Å; Q183-K186 PolarHBondContact O-N 3.17Å; Q183-K186 VanDerWaalsContact O-N 3.12Å; Q183-L188 HydrophobicContact CG-CD1 3.74Å; Q183-L188 HydrophobicContact CG-CD2 4.4Å; Q183-L188 HydrophobicContact CG-CG 4.28Å; Q183-W274 HydrophobicContact CB-CB 4.26Å; Q183-W274 HydrophobicContact CB-CD2 4.28Å; Q183-W274 HydrophobicContact CB-CG 3.83Å; Q183-W274 HydrophobicContact CG-CB 4.29Å; Q183-W274 HydrophobicContact CG-CD2 4.13Å; Q183-W274 HydrophobicContact CG-CG 4.01Å |
| 184 | K | 97.3 | Very high | 97.5 | Very high | 145 Ų | 145 | 40.6 Ų | 40.6 | 63% | 0.63 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -57.1 | -34.4 | 179.4 | -74.9 | 170.8 | 176.5 | 165.4 | 0 | 112.5 | D180 | D180-K184 VanDerWaalsContact CG-NZ 3.34Å; D180-K184 WeakPolarHBondContact O-CG 3.22Å; D180-K184 PolarHBondContact O-N 2.76Å; D180-K184 WeakPolarHBondContact OD1-CE 3.16Å; D180-K184 IonicContact OD1-NZ 2.65Å; D180-K184 PolarHBondContact OD1-NZ 3.38Å; D180-K184 WeakPolarHBondContact OD2-CE 3.27Å; D180-K184 IonicContact OD2-NZ 3.3Å; D180-K184 PolarHBondContact OD2-NZ 2.93Å |
| 185 | N | 97.9 | Very high | 97.4 | Very high | 107 Ų | 107 | 40.6 Ų | 40.6 | 57% | 0.572 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 5.7 | -177.1 | -64.7 | -64.5 | 0 | 0 | 0 | 114 | G181 M182 Q183 K187 | G181-N185 WeakPolarHBondContact O-CB 3.34Å; G181-N185 PolarHBondContact O-N 2.89Å; G181-N185 PolarHBondContact O-ND2 3.06Å; M182-N185 CarbonylContact O-C 3.53Å; M182-N185 PolarHBondContact O-N 2.76Å; Q183-N185 PolarHBondContact O-N 2.85Å; N185-K187 VanDerWaalsContact C-N 3.29Å; N185-K187 HydrophobicContact CB-CD 4.17Å; N185-K187 HydrophobicContact CB-CG 4.03Å; N185-K187 PolarHBondContact O-N 3.44Å |
| 186 | K | 97.6 | Very high | 97.2 | Very high | 94 Ų | 94 | 41.8 Ų | 41.8 | 41% | 0.409 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 40 | -176.6 | -50.6 | -173.4 | 175.9 | -142.7 | 0 | 114.3 | M182 Q183 A273 W274 F275 R276 | M182-K186 PolarHBondContact O-N 2.66Å; Q183-K186 PolarHBondContact O-N 3.17Å; Q183-K186 VanDerWaalsContact O-N 3.12Å; K186-A273 WeakPolarHBondContact CE-O 3.28Å; K186-A273 PolarHBondContact NZ-O 2.74Å; K186-W274 WeakPolarHBondContact CA-O 3.46Å; K186-F275 PolarHBondContact NZ-O 2.93Å; K186-R276 HydrophobicContact CB-CG 3.9Å; K186-R276 WeakPolarHBondContact O-CD 2.99Å; K186-R276 WeakPolarHBondContact O-CG 3.32Å |
| 187 | K | 97.5 | Very high | 97.2 | Very high | 105 Ų | 105 | 40 Ų | 40 | 46% | 0.457 | 20% | 0.202 | S | C | . | . | trans | -103 | 11.2 | -176.8 | -68.9 | -170.7 | 171.5 | -174.9 | 0 | 114.4 | M182 N185 Q189 | M182-K187 HydrophobicContact CB-CB 4.27Å; M182-K187 WeakPolarHBondContact CE-O 3.47Å; M182-K187 HydrophobicContact CG-CB 4.26Å; M182-K187 PolarHBondContact O-N 3.46Å; N185-K187 VanDerWaalsContact C-N 3.29Å; N185-K187 HydrophobicContact CB-CD 4.17Å; N185-K187 HydrophobicContact CB-CG 4.03Å; N185-K187 PolarHBondContact O-N 3.44Å; K187-Q189 PolarHBondContact O-N 3.02Å; K187-Q189 VanDerWaalsContact O-N 3.16Å | ||
| 188 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -67.1 | -7.5 | 176.1 | -69.8 | 177.9 | 0 | 0 | 0 | 114.2 | M182 Q183 T208 D210 W274 F275 | M182-L188 HydrophobicContact CB-CD2 3.85Å; M182-L188 HydrophobicContact CB-CG 4.33Å; M182-L188 HydrophobicContact CE-CD2 4.44Å; Q183-L188 HydrophobicContact CG-CD1 3.74Å; Q183-L188 HydrophobicContact CG-CD2 4.4Å; Q183-L188 HydrophobicContact CG-CG 4.28Å; L188-T208 WeakPolarHBondContact CB-O 3.4Å; L188-T208 HydrophobicContact CD2-CG2 3.81Å; L188-T208 PolarHBondContact O-N 3.49Å; L188-D210 HydrophobicContact CD1-CB 4.19Å; L188-W274 HydrophobicContact CD1-CB 4.28Å; L188-F275 HydrophobicContact CB-CD1 4.24Å; L188-F275 HydrophobicContact CB-CE1 3.72Å; L188-F275 HydrophobicContact CD1-CE1 3.8Å; L188-F275 HydrophobicContact CD1-CZ 3.8Å; L188-F275 HydrophobicContact CG-CE1 4.46Å |
| 189 | Q | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.7 | -179.4 | -71.6 | 173 | -54.1 | 0 | 0 | 109.9 | K187 F205 T206 F275 Y326 W337 | K187-Q189 PolarHBondContact O-N 3.02Å; K187-Q189 VanDerWaalsContact O-N 3.16Å; Q189-F205 HydrophobicContact CB-CE2 4.15Å; Q189-F205 HydrophobicContact CB-CZ 3.78Å; Q189-F205 HydrophobicContact CG-CZ 4Å; Q189-T206 WeakPolarHBondContact CA-O 3.49Å; Q189-F275 HydrophobicContact CG-CD1 3.96Å; Q189-F275 HydrophobicContact CG-CE1 4.33Å; Q189-Y326 PolarHBondContact NE2-OH 3.49Å; Q189-W337 HydrophobicContact CB-CE3 3.82Å; Q189-W337 HydrophobicContact CB-CH2 4.05Å; Q189-W337 HydrophobicContact CB-CZ3 3.34Å; Q189-W337 HydrophobicContact CG-CZ3 4.24Å |
| 190 | F | 98.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 166.5 | -173.9 | 54.5 | -89 | 0 | 0 | 0 | 111.5 | M182 W192 F205 T206 D338 R340 F345 | M182-F190 HydrophobicContact CE-CD1 4.14Å; M182-F190 HydrophobicContact CE-CE1 3.75Å; F190-W192 HydrophobicContact CD2-CB 4.05Å; F190-W192 HydrophobicContact CD2-CG 4.47Å; F190-W192 HydrophobicContact CE2-CB 3.78Å; F190-W192 HydrophobicContact CE2-CD2 4.05Å; F190-W192 HydrophobicContact CE2-CE3 4.27Å; F190-W192 AromaticContact CE2-CG 3.84Å; F190-W192 HydrophobicContact CE2-CG 3.84Å; F190-F205 WeakPolarHBondContact O-CD2 3.24Å; F190-T206 HydrophobicContact CE1-CG2 4.4Å; F190-T206 HydrophobicContact CE2-CG2 4.09Å; F190-T206 HydrophobicContact CZ-CG2 3.74Å; F190-T206 PolarHBondContact N-O 2.94Å; F190-T206 VanDerWaalsContact N-O 3.15Å; F190-T206 PolarHBondContact O-N 3.01Å; F190-D338 CarbonylContact C-O 3.56Å; F190-D338 WeakPolarHBondContact CA-O 3.39Å; F190-D338 WeakPolarHBondContact CB-O 3.39Å; F190-R340 HydrophobicContact CD2-CB 3.4Å; F190-R340 HydrophobicContact CD2-CG 4.37Å; F190-R340 HydrophobicContact CE2-CB 3.7Å; F190-R340 VanDerWaalsContact CE2-CD 3.47Å; F190-R340 HydrophobicContact CE2-CG 4.21Å; F190-R340 HydrophobicContact CG-CB 4.17Å; F190-F345 HydrophobicContact CE1-CZ 4.15Å; F190-F345 HydrophobicContact CE2-CZ 4.49Å; F190-F345 AromaticContact CZ-CE2 3.92Å; F190-F345 HydrophobicContact CZ-CE2 3.92Å; F190-F345 AromaticContact CZ-CZ 3.62Å; F190-F345 HydrophobicContact CZ-CZ 3.62Å |
| 191 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.9 | 167.5 | 174.4 | 0 | 0 | 0 | 0 | 108.3 | E203 F205 W337 D338 V339 R340 W974 T976 | V191-E203 HydrophobicContact CG1-CB 3.75Å; V191-E203 HydrophobicContact CG1-CG 3.78Å; V191-F205 HydrophobicContact CG2-CD2 4.37Å; V191-W337 HydrophobicContact CG2-CB 4.01Å; V191-D338 PolarHBondContact N-O 2.99Å; V191-V339 CarbonylContact O-C 3.54Å; V191-V339 WeakPolarHBondContact O-CA 3.25Å; V191-R340 PolarHBondContact O-N 3.23Å; V191-W974 HydrophobicContact CG2-CB 3.55Å; V191-W974 HydrophobicContact CG2-CG 4.33Å; V191-T976 HydrophobicContact CB-CG2 3.87Å; V191-T976 HydrophobicContact CG1-CG2 4.12Å; V191-T976 HydrophobicContact CG2-CG2 3.79Å |
| 192 | W | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123.8 | -176.2 | -159.2 | -2 | 0 | 0 | 0 | 111.3 | A153 S154 A155 P158 H169 I171 F190 E203 I204 T206 G341 E343 F345 | A153-W192 HydrophobicContact CB-CH2 4.27Å; S154-W192 WeakPolarHBondContact O-CH2 3.44Å; S154-W192 WeakPolarHBondContact O-CZ2 3.38Å; A155-W192 HydrophobicContact CB-CZ2 4.14Å; P158-W192 HydrophobicContact CB-CD2 4.21Å; P158-W192 HydrophobicContact CB-CE3 3.79Å; P158-W192 HydrophobicContact CB-CZ3 4.21Å; P158-W192 HydrophobicContact CG-CD2 3.78Å; P158-W192 HydrophobicContact CG-CE3 3.59Å; P158-W192 HydrophobicContact CG-CG 4.45Å; P158-W192 HydrophobicContact CG-CH2 4.05Å; P158-W192 HydrophobicContact CG-CZ2 4.23Å; P158-W192 HydrophobicContact CG-CZ3 3.73Å; H169-W192 AromaticContact CD2-CE3 4Å; H169-W192 AromaticContact CD2-CZ3 3.91Å; H169-W192 AromaticContact NE2-CZ3 3.88Å; I171-W192 HydrophobicContact CD1-CZ3 4.48Å; F190-W192 HydrophobicContact CD2-CB 4.05Å; F190-W192 HydrophobicContact CD2-CG 4.47Å; F190-W192 HydrophobicContact CE2-CB 3.78Å; F190-W192 HydrophobicContact CE2-CD2 4.05Å; F190-W192 HydrophobicContact CE2-CE3 4.27Å; F190-W192 AromaticContact CE2-CG 3.84Å; F190-W192 HydrophobicContact CE2-CG 3.84Å; W192-E203 VanDerWaalsContact O-CA 3.31Å; W192-E203 WeakPolarHBondContact O-CA 3.47Å; W192-I204 PolarHBondContact N-O 3.47Å; W192-I204 PolarHBondContact O-N 2.78Å; W192-T206 HydrophobicContact CE3-CG2 4.04Å; W192-T206 HydrophobicContact CZ3-CG2 4.45Å; W192-G341 PolarHBondContact NE1-O 3.17Å; W192-G341 VanDerWaalsContact NE1-O 3.12Å; W192-E343 WeakPolarHBondContact CZ2-O 3.07Å; W192-E343 PolarHBondContact NE1-O 2.89Å; W192-F345 AromaticContact CH2-CD2 3.74Å; W192-F345 HydrophobicContact CH2-CD2 3.74Å; W192-F345 AromaticContact CH2-CE2 3.8Å; W192-F345 HydrophobicContact CH2-CE2 3.8Å; W192-F345 HydrophobicContact CZ2-CD2 4.01Å; W192-F345 AromaticContact CZ2-CE2 3.93Å; W192-F345 HydrophobicContact CZ2-CE2 3.93Å; W192-F345 HydrophobicContact CZ3-CD2 4.42Å; W192-F345 HydrophobicContact CZ3-CE2 4.16Å |
| 193 | R | 97.2 | Very high | 96 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 15% | 0.151 | 21% | 0.212 | C | C | . | . | trans | -104.6 | 71.4 | 171.4 | -66.2 | 179.3 | -179.5 | 154.8 | 4.3 | 109.4 | S195 E203 V339 R340 G341 S342 D978 | R193-S195 PolarHBondContact O-N 3.44Å; R193-S195 VanDerWaalsContact O-N 3.13Å; R193-E203 HydrophobicContact CG-CB 3.92Å; R193-E203 IonicContact CZ-OE2 3.89Å; R193-E203 IonicContact NE-OE2 3.56Å; R193-E203 PolarHBondContact NE-OE2 3.35Å; R193-E203 IonicContact NH2-OE2 3.1Å; R193-E203 PolarHBondContact NH2-OE2 2.76Å; R193-E203 VanDerWaalsContact NH2-OE2 3.17Å; R193-V339 HydrophobicContact CG-CG1 3.99Å; R193-R340 PolarHBondContact N-O 3.07Å; R193-G341 CarbonylContact O-C 3.6Å; R193-G341 VanDerWaalsContact O-C 3.23Å; R193-S342 WeakPolarHBondContact O-CA 3.09Å; R193-S342 PolarHBondContact O-N 2.94Å; R193-D978 IonicContact CZ-OD2 3.43Å; R193-D978 IonicContact NH1-OD2 3.69Å; R193-D978 PolarHBondContact NH1-OD2 2.87Å; R193-D978 VanDerWaalsContact NH1-OD2 3.1Å; R193-D978 IonicContact NH2-OD2 3.52Å | ||
| 194 | G | 95.3 | Very high | 96 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | -57.3 | -28.2 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | A155 S342 Q739 | A155-G194 CarbonylContact O-C 3.58Å; A155-G194 WeakPolarHBondContact O-CA 3.31Å; G194-S342 WeakPolarHBondContact O-CA 3.26Å; G194-S342 WeakPolarHBondContact O-CB 3.38Å; G194-Q739 PolarHBondContact O-NE2 3.13Å; G194-Q739 PolarHBondContact O-OE1 3.39Å | ||
| 195 | S | 96.3 | Very high | 96 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | trans | -105.4 | 126.7 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 112.8 | R193 S197 L198 K199 | R193-S195 PolarHBondContact O-N 3.44Å; R193-S195 VanDerWaalsContact O-N 3.13Å; S195-S197 PolarHBondContact O-N 3.3Å; S195-S197 PolarHBondContact OG-N 3.28Å; S195-L198 PolarHBondContact O-N 3.41Å; S195-L198 PolarHBondContact OG-N 3.07Å; S195-K199 PolarHBondContact O-N 3.22Å | ||
| 196 | P | 93.9 | Very high | 96.1 | Very high | 46 Ų | 46 | 33 Ų | 33 | 30% | 0.299 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.8 | 175 | 28.8 | -32.8 | 0 | 0 | 0 | 112 | K199 | P196-K199 WeakPolarHBondContact O-CE 3.37Å; P196-K199 VanDerWaalsContact O-CG 3.22Å; P196-K199 WeakPolarHBondContact O-CG 3.41Å |
| 197 | S | 95.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 8% | 0.077 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -42.1 | 178.7 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | S195 E927 E928 | S195-S197 PolarHBondContact O-N 3.3Å; S195-S197 PolarHBondContact OG-N 3.28Å; S197-E927 WeakPolarHBondContact OG-CA 3.26Å; S197-E928 PolarHBondContact OG-N 3Å |
| 198 | L | 94.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -26 | -174.8 | -55.2 | 178.7 | 0 | 0 | 0 | 113.2 | V159 S195 A200 R201 Q202 Y738 P999 E1001 | V159-L198 HydrophobicContact CG1-CD1 3.92Å; S195-L198 PolarHBondContact O-N 3.41Å; S195-L198 PolarHBondContact OG-N 3.07Å; L198-A200 PolarHBondContact O-N 3.46Å; L198-R201 VanDerWaalsContact O-CB 3.26Å; L198-R201 WeakPolarHBondContact O-CB 3.24Å; L198-R201 WeakPolarHBondContact O-CG 3.49Å; L198-R201 PolarHBondContact O-N 3.49Å; L198-Q202 HydrophobicContact CB-CB 4.17Å; L198-Q202 HydrophobicContact CB-CG 4.08Å; L198-Q202 HydrophobicContact CD1-CB 4.25Å; L198-Q202 HydrophobicContact CD1-CG 3.7Å; L198-Q202 HydrophobicContact CG-CG 4.44Å; L198-Y738 WeakPolarHBondContact CD1-OH 3.32Å; L198-P999 WeakPolarHBondContact CD2-O 3.34Å; L198-E1001 HydrophobicContact CD2-CB 4.17Å |
| 199 | K | 92.5 | Very high | 96.2 | Very high | 106 Ų | 106 | 23.8 Ų | 23.8 | 46% | 0.461 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | 50.8 | -131.5 | 174.4 | -55 | 171.6 | -170.5 | 159.4 | 0 | 110.7 | S195 P196 R201 Q202 E928 | S195-K199 PolarHBondContact O-N 3.22Å; P196-K199 WeakPolarHBondContact O-CE 3.37Å; P196-K199 VanDerWaalsContact O-CG 3.22Å; P196-K199 WeakPolarHBondContact O-CG 3.41Å; K199-R201 PolarHBondContact O-N 2.72Å; K199-R201 VanDerWaalsContact O-N 3.14Å; K199-Q202 PolarHBondContact O-N 3.02Å; K199-E928 WeakPolarHBondContact CE-OE2 3.43Å; K199-E928 IonicContact NZ-OE1 2.94Å; K199-E928 IonicContact NZ-OE2 3.47Å; K199-E928 PolarHBondContact NZ-OE2 3.47Å |
| 200 | A | 92.4 | Very high | 96.1 | Very high | 45 Ų | 45 | 23.8 Ų | 23.8 | 37% | 0.372 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | -65.2 | -12.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L198 Q202 E203 | L198-A200 PolarHBondContact O-N 3.46Å; A200-Q202 VanDerWaalsContact C-N 3.29Å; A200-Q202 PolarHBondContact O-N 2.9Å; A200-E203 WeakPolarHBondContact CA-OE2 3.25Å; A200-E203 WeakPolarHBondContact CB-OE2 3.25Å |
| 201 | R | 90.4 | Very high | 95.9 | Very high | 166 Ų | 166 | 28.2 Ų | 28.2 | 63% | 0.626 | 14% | 0.135 | S | C | * | . | G | 310 helix | trans | -68.3 | -30.5 | -179.8 | -58.5 | -177.2 | -163.5 | 167.4 | 7.8 | 112.4 | L198 K199 | L198-R201 VanDerWaalsContact O-CB 3.26Å; L198-R201 WeakPolarHBondContact O-CB 3.24Å; L198-R201 WeakPolarHBondContact O-CG 3.49Å; L198-R201 PolarHBondContact O-N 3.49Å; K199-R201 PolarHBondContact O-N 2.72Å; K199-R201 VanDerWaalsContact O-N 3.14Å |
| 202 | Q | 92.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 32.2 Ų | 32.2 | 17% | 0.168 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -125.5 | 36.4 | 179.8 | -62.8 | -60.2 | -20.3 | 0 | 0 | 111.5 | V159 S162 L163 L198 K199 A200 | V159-Q202 HydrophobicContact CG1-CB 4.18Å; V159-Q202 HydrophobicContact CG1-CG 4.47Å; S162-Q202 WeakPolarHBondContact OG-CA 3.19Å; S162-Q202 PolarHBondContact OG-OE1 3.36Å; L163-Q202 VanDerWaalsContact CD2-CD 3.49Å; L163-Q202 HydrophobicContact CD2-CG 4.33Å; L198-Q202 HydrophobicContact CB-CB 4.17Å; L198-Q202 HydrophobicContact CB-CG 4.08Å; L198-Q202 HydrophobicContact CD1-CB 4.25Å; L198-Q202 HydrophobicContact CD1-CG 3.7Å; L198-Q202 HydrophobicContact CG-CG 4.44Å; K199-Q202 PolarHBondContact O-N 3.02Å; A200-Q202 VanDerWaalsContact C-N 3.29Å; A200-Q202 PolarHBondContact O-N 2.9Å |
| 203 | E | 95.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | trans | -76.3 | 152.3 | 175.2 | 72.6 | -173.3 | -166 | 0 | 0 | 111.7 | V191 W192 R193 A200 R971 | V191-E203 HydrophobicContact CG1-CB 3.75Å; V191-E203 HydrophobicContact CG1-CG 3.78Å; W192-E203 VanDerWaalsContact O-CA 3.31Å; W192-E203 WeakPolarHBondContact O-CA 3.47Å; R193-E203 HydrophobicContact CG-CB 3.92Å; R193-E203 IonicContact CZ-OE2 3.89Å; R193-E203 IonicContact NE-OE2 3.56Å; R193-E203 PolarHBondContact NE-OE2 3.35Å; R193-E203 IonicContact NH2-OE2 3.1Å; R193-E203 PolarHBondContact NH2-OE2 2.76Å; R193-E203 VanDerWaalsContact NH2-OE2 3.17Å; A200-E203 WeakPolarHBondContact CA-OE2 3.25Å; A200-E203 WeakPolarHBondContact CB-OE2 3.25Å; E203-R971 PolarHBondContact O-NH1 2.91Å; E203-R971 PolarHBondContact O-NH2 3.46Å | ||
| 204 | I | 97.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142.9 | 177 | -168.5 | 161.8 | 0 | 0 | 0 | 109.5 | P158 F161 F166 H169 W192 | P158-I204 HydrophobicContact CB-CG2 3.5Å; P158-I204 VanDerWaalsContact CB-CG2 3.5Å; F161-I204 HydrophobicContact CB-CD1 4.08Å; F166-I204 HydrophobicContact CB-CD1 3.77Å; H169-I204 HydrophobicContact CB-CD1 3.95Å; H169-I204 HydrophobicContact CB-CG1 4.14Å; H169-I204 HydrophobicContact CB-CG2 4.27Å; W192-I204 PolarHBondContact N-O 3.47Å; W192-I204 PolarHBondContact O-N 2.78Å |
| 205 | F | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 136.9 | 171.9 | 178.7 | -98.4 | 0 | 0 | 0 | 110 | A168 H169 Q189 F190 V191 F327 V330 W337 W974 | A168-F205 CarbonylContact C-O 3.59Å; A168-F205 WeakPolarHBondContact CA-O 3.05Å; A168-F205 HydrophobicContact CB-CB 4.44Å; A168-F205 HydrophobicContact CB-CD1 4.16Å; H169-F205 PolarHBondContact N-O 3.4Å; Q189-F205 HydrophobicContact CB-CE2 4.15Å; Q189-F205 HydrophobicContact CB-CZ 3.78Å; Q189-F205 HydrophobicContact CG-CZ 4Å; F190-F205 WeakPolarHBondContact O-CD2 3.24Å; V191-F205 HydrophobicContact CG2-CD2 4.37Å; F205-F327 HydrophobicContact CD1-CD1 4.12Å; F205-F327 AromaticContact CD1-CE1 3.9Å; F205-F327 HydrophobicContact CD1-CE1 3.9Å; F205-F327 HydrophobicContact CE1-CD1 4.08Å; F205-F327 AromaticContact CE1-CE1 3.83Å; F205-F327 HydrophobicContact CE1-CE1 3.83Å; F205-V330 HydrophobicContact CE1-CG1 4.13Å; F205-V330 HydrophobicContact CZ-CG1 3.92Å; F205-W337 HydrophobicContact CD2-CD2 4.31Å; F205-W337 HydrophobicContact CD2-CG 4.2Å; F205-W337 AromaticContact CE2-CD2 3.48Å; F205-W337 HydrophobicContact CE2-CD2 3.48Å; F205-W337 VanDerWaalsContact CE2-CD2 3.48Å; F205-W337 AromaticContact CE2-CE2 3.54Å; F205-W337 AromaticContact CE2-CE3 3.83Å; F205-W337 HydrophobicContact CE2-CE3 3.83Å; F205-W337 AromaticContact CE2-CG 3.82Å; F205-W337 HydrophobicContact CE2-CG 3.82Å; F205-W337 HydrophobicContact CE2-CH2 4.28Å; F205-W337 AromaticContact CE2-CZ2 3.97Å; F205-W337 HydrophobicContact CE2-CZ2 3.97Å; F205-W337 HydrophobicContact CE2-CZ3 4.23Å; F205-W337 AromaticContact CE2-NE1 3.89Å; F205-W337 HydrophobicContact CZ-CD2 4.31Å; F205-W337 HydrophobicContact CZ-CE3 4.41Å; F205-W337 HydrophobicContact CZ-CH2 4.17Å; F205-W337 HydrophobicContact CZ-CZ2 4.05Å; F205-W337 HydrophobicContact CZ-CZ3 4.36Å; F205-W974 HydrophobicContact CB-CD2 3.51Å; F205-W974 HydrophobicContact CB-CE3 4.21Å; F205-W974 HydrophobicContact CB-CG 3.72Å; F205-W974 HydrophobicContact CB-CH2 4.36Å; F205-W974 HydrophobicContact CB-CZ2 3.69Å; F205-W974 VanDerWaalsContact CB-NE1 3.25Å; F205-W974 AromaticContact CD1-CH2 3.84Å; F205-W974 HydrophobicContact CD1-CH2 3.84Å; F205-W974 AromaticContact CD1-CZ2 3.82Å; F205-W974 HydrophobicContact CD1-CZ2 3.82Å; F205-W974 HydrophobicContact CD1-CZ3 4.25Å; F205-W974 AromaticContact CD2-CD2 3.89Å; F205-W974 HydrophobicContact CD2-CD2 3.89Å; F205-W974 AromaticContact CD2-CE3 3.75Å; F205-W974 HydrophobicContact CD2-CE3 3.75Å; F205-W974 HydrophobicContact CD2-CG 4.41Å; F205-W974 HydrophobicContact CD2-CH2 4.38Å; F205-W974 HydrophobicContact CD2-CZ3 4.01Å; F205-W974 HydrophobicContact CE1-CH2 4.17Å; F205-W974 HydrophobicContact CE1-CZ3 4.42Å; F205-W974 HydrophobicContact CE2-CE3 4.25Å; F205-W974 HydrophobicContact CE2-CZ3 4.2Å; F205-W974 AromaticContact CG-CD2 3.77Å; F205-W974 HydrophobicContact CG-CD2 3.77Å; F205-W974 AromaticContact CG-CE2 3.68Å; F205-W974 AromaticContact CG-CE3 3.95Å; F205-W974 HydrophobicContact CG-CE3 3.95Å; F205-W974 HydrophobicContact CG-CG 4.37Å; F205-W974 AromaticContact CG-CH2 3.93Å; F205-W974 HydrophobicContact CG-CH2 3.93Å; F205-W974 AromaticContact CG-CZ2 3.76Å; F205-W974 HydrophobicContact CG-CZ2 3.76Å; F205-W974 HydrophobicContact CG-CZ3 4.03Å; F205-W974 HydrophobicContact CZ-CZ3 4.38Å |
| 206 | T | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.9 | -177.5 | -56 | 0 | 0 | 0 | 0 | 110.5 | H169 I171 Q189 F190 W192 | H169-T206 CarbonylContact O-C 3.51Å; H169-T206 VanDerWaalsContact O-CA 3.28Å; H169-T206 WeakPolarHBondContact O-CA 3.42Å; I171-T206 HydrophobicContact CD1-CG2 4.22Å; I171-T206 HydrophobicContact CG1-CG2 4.09Å; Q189-T206 WeakPolarHBondContact CA-O 3.49Å; F190-T206 HydrophobicContact CE1-CG2 4.4Å; F190-T206 HydrophobicContact CE2-CG2 4.09Å; F190-T206 HydrophobicContact CZ-CG2 3.74Å; F190-T206 PolarHBondContact N-O 2.94Å; F190-T206 VanDerWaalsContact N-O 3.15Å; F190-T206 PolarHBondContact O-N 3.01Å; W192-T206 HydrophobicContact CE3-CG2 4.04Å; W192-T206 HydrophobicContact CZ3-CG2 4.45Å |
| 207 | H | 98.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.9 | 168.2 | 178.9 | 116 | 0 | 0 | 0 | 108.8 | H169 L170 I171 F275 Y326 F327 | H169-H207 PolarHBondContact O-N 3.01Å; L170-H207 CarbonylContact C-O 3.52Å; L170-H207 VanDerWaalsContact CA-O 3.28Å; L170-H207 WeakPolarHBondContact CA-O 3.35Å; L170-H207 HydrophobicContact CG-CB 4.49Å; I171-H207 PolarHBondContact N-O 3.31Å; H207-F275 AromaticContact CE1-CE1 3.29Å; H207-F275 WeakPolarHBondContact CE1-CE1 3.17Å; H207-F275 AromaticContact CE1-CZ 3.54Å; H207-F275 AromaticContact ND1-CE1 3.99Å; H207-F275 AromaticContact NE2-CE1 3.65Å; H207-F275 AromaticContact NE2-CZ 3.62Å; H207-Y326 PolarHBondContact CE1-OH 2.62Å; H207-Y326 VanDerWaalsContact CE1-OH 3.28Å; H207-Y326 AromaticContact ND1-CE1 3.89Å; H207-Y326 AromaticContact ND1-CZ 3.81Å; H207-Y326 PolarHBondContact ND1-OH 3.18Å; H207-F327 HydrophobicContact CB-CE1 3.97Å; H207-F327 HydrophobicContact CB-CZ 4.11Å |
| 208 | T | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123 | 167.5 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | I171 I174 L188 | I171-T208 HydrophobicContact CD1-CG2 4.47Å; I171-T208 HydrophobicContact CG1-CG2 4.17Å; I171-T208 CarbonylContact O-C 3.59Å; I171-T208 WeakPolarHBondContact O-CA 3.12Å; I174-T208 HydrophobicContact CD1-CG2 3.81Å; I174-T208 HydrophobicContact CG1-CG2 4.14Å; I174-T208 HydrophobicContact CG2-CG2 4.28Å; L188-T208 WeakPolarHBondContact CB-O 3.4Å; L188-T208 HydrophobicContact CD2-CG2 3.81Å; L188-T208 PolarHBondContact O-N 3.49Å |
| 209 | M | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 147.6 | 175.8 | -57.1 | -167 | 86.8 | 0 | 0 | 110.9 | W146 V148 L170 I171 K179 S213 L281 P283 | W146-M209 HydrophobicContact CH2-CE 4.34Å; V148-M209 HydrophobicContact CB-SD 4.33Å; V148-M209 HydrophobicContact CG1-SD 3.58Å; V148-M209 VanDerWaalsContact CG1-SD 3.58Å; L170-M209 HydrophobicContact CD1-CG 4.5Å; L170-M209 HydrophobicContact CD2-CG 3.76Å; L170-M209 HydrophobicContact CD2-SD 3.9Å; L170-M209 HydrophobicContact CG-CG 4.25Å; I171-M209 WeakPolarHBondContact O-CG 3.44Å; I171-M209 PolarHBondContact O-N 2.73Å; K179-M209 PolarHBondContact NZ-O 3.07Å; M209-S213 WeakPolarHBondContact CE-O 3.44Å; M209-L281 HydrophobicContact CE-CD2 4.07Å; M209-P283 HydrophobicContact CE-CB 4.01Å; M209-P283 HydrophobicContact CE-CG 3.7Å |
| 210 | D | 96.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | trans | -67.3 | -176.7 | 176.6 | 67.5 | 77.9 | 0 | 0 | 0 | 112.9 | K179 L188 Y212 S213 R271 W274 F275 | K179-D210 PolarHBondContact NZ-O 3.05Å; K179-D210 VanDerWaalsContact NZ-O 3.11Å; L188-D210 HydrophobicContact CD1-CB 4.19Å; D210-Y212 PolarHBondContact O-N 3.08Å; D210-Y212 VanDerWaalsContact OD1-CB 3.3Å; D210-Y212 WeakPolarHBondContact OD1-CB 3.44Å; D210-Y212 WeakPolarHBondContact OD1-CD2 3.27Å; D210-Y212 PolarHBondContact OD1-N 3.02Å; D210-S213 PolarHBondContact O-N 3.17Å; D210-R271 IonicContact OD1-CZ 2.78Å; D210-R271 IonicContact OD1-NH1 3.19Å; D210-R271 PolarHBondContact OD1-NH1 3.28Å; D210-R271 WeakPolarHBondContact OD2-CD 3.03Å; D210-R271 IonicContact OD2-CZ 2.77Å; D210-R271 IonicContact OD2-NE 2.75Å; D210-R271 IonicContact OD2-NH1 3.25Å; D210-R271 PolarHBondContact OD2-NH1 3.21Å; D210-W274 HydrophobicContact CB-CE3 3.5Å; D210-W274 HydrophobicContact CB-CZ3 3.75Å; D210-F275 HydrophobicContact CB-CE2 4.39Å; D210-F275 HydrophobicContact CB-CZ 4.34Å | ||
| 211 | Q | 94.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 40.1 Ų | 40.1 | 47% | 0.467 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23 | -175.8 | 64.8 | -180 | 15.3 | 0 | 0 | 114.2 | S213 W274 | Q211-S213 PolarHBondContact O-N 3.4Å; Q211-W274 HydrophobicContact CG-CH2 3.7Å; Q211-W274 HydrophobicContact CG-CZ3 3.96Å; Q211-W274 VanDerWaalsContact NE2-CH2 3.26Å |
| 212 | Y | 94 | Very high | 94.6 | Very high | 85 Ų | 85 | 35.5 Ų | 35.5 | 33% | 0.333 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.4 | 176.4 | -61.9 | -67.2 | 0 | 0 | 0 | 113 | D210 Q270 R271 W274 | D210-Y212 PolarHBondContact O-N 3.08Å; D210-Y212 VanDerWaalsContact OD1-CB 3.3Å; D210-Y212 WeakPolarHBondContact OD1-CB 3.44Å; D210-Y212 WeakPolarHBondContact OD1-CD2 3.27Å; D210-Y212 PolarHBondContact OD1-N 3.02Å; Y212-Q270 HydrophobicContact CE2-CG 4.48Å; Y212-Q270 PolarHBondContact OH-NE2 3.18Å; Y212-Q270 PolarHBondContact OH-OE1 3.37Å; Y212-R271 HydrophobicContact CD2-CG 3.93Å; Y212-R271 HydrophobicContact CE2-CG 4.44Å; Y212-W274 HydrophobicContact CD2-CH2 4.26Å; Y212-W274 AromaticContact CD2-CZ3 4Å; Y212-W274 HydrophobicContact CD2-CZ3 4Å; Y212-W274 AromaticContact CE2-CH2 3.68Å; Y212-W274 HydrophobicContact CE2-CH2 3.68Å; Y212-W274 AromaticContact CE2-CZ3 3.85Å; Y212-W274 HydrophobicContact CE2-CZ3 3.85Å |
| 213 | S | 94.9 | Very high | 94.6 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -150.6 | 176.9 | -160.5 | 0 | 0 | 0 | 0 | 112 | S172 M209 D210 Q211 R271 | S172-S213 PolarHBondContact OG-OG 3.29Å; M209-S213 WeakPolarHBondContact CE-O 3.44Å; D210-S213 PolarHBondContact O-N 3.17Å; Q211-S213 PolarHBondContact O-N 3.4Å; S213-R271 PolarHBondContact O-NH1 3.39Å |
| 214 | Y | 95.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 42 Ų | 42 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.2 | -173.2 | 61.4 | -90.2 | 0 | 0 | 0 | 115.2 | H32 H34 V148 D149 P283 D287 | H32-Y214 PolarHBondContact CE1-O 2.99Å; H32-Y214 PolarHBondContact NE2-O 2.62Å; H34-Y214 HydrophobicContact CB-CE2 4.26Å; V148-Y214 HydrophobicContact CB-CD1 3.61Å; V148-Y214 HydrophobicContact CB-CE1 4.47Å; V148-Y214 HydrophobicContact CB-CG 3.84Å; V148-Y214 HydrophobicContact CG2-CD1 3.71Å; V148-Y214 HydrophobicContact CG2-CD2 4.22Å; V148-Y214 HydrophobicContact CG2-CE1 4.33Å; V148-Y214 HydrophobicContact CG2-CG 3.68Å; D149-Y214 WeakPolarHBondContact OD1-CE1 2.98Å; D149-Y214 PolarHBondContact OD1-OH 2.73Å; D149-Y214 VanDerWaalsContact OD1-OH 3.08Å; Y214-P283 WeakPolarHBondContact O-CB 3.14Å; Y214-D287 WeakPolarHBondContact CE2-OD1 3.39Å; Y214-D287 PolarHBondContact OH-OD1 3.5Å |
| 215 | C | 95.2 | Very high | 94 | Very high | 24 Ų | 24 | 48 Ų | 48 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -93.1 | 150.8 | -179.7 | -64.2 | 0 | 0 | 0 | 0 | 112.9 | R271 G285 C286 | C215-R271 PolarHBondContact O-NH2 3.06Å; C215-G285 CarbonylContact C-O 3.54Å; C215-G285 VanDerWaalsContact CA-O 3.24Å; C215-G285 WeakPolarHBondContact CA-O 3.43Å; C215-C286 HydrophobicContact CB-CB 3.7Å; C215-C286 WeakPolarHBondContact CB-SG 3.4Å; C215-C286 VanDerWaalsContact SG-CA 3.51Å; C215-C286 WeakPolarHBondContact SG-CB 3.47Å; C215-C286 CovalentContact SG-SG 2.05Å; C215-C286 PolarHBondContact SG-SG 3.44Å |
| 216 | T | 94.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | trans | -66.7 | 159.7 | 162.9 | 54.2 | 0 | 0 | 0 | 0 | 110.7 | S218 F228 Y229 W282 P283 W284 G285 | T216-S218 PolarHBondContact O-N 3.36Å; T216-F228 HydrophobicContact CG2-CB 4.3Å; T216-Y229 PolarHBondContact O-OH 3.22Å; T216-Y229 WeakPolarHBondContact OG1-CE1 3.44Å; T216-W282 HydrophobicContact CG2-CH2 3.47Å; T216-W282 VanDerWaalsContact CG2-CH2 3.47Å; T216-W282 HydrophobicContact CG2-CZ2 4.44Å; T216-W282 HydrophobicContact CG2-CZ3 3.5Å; T216-P283 VanDerWaalsContact CG2-O 3.29Å; T216-P283 WeakPolarHBondContact CG2-O 3.17Å; T216-W284 VanDerWaalsContact CG2-CA 3.49Å; T216-W284 HydrophobicContact CG2-CB 4.25Å; T216-W284 HydrophobicContact CG2-CD2 4.45Å; T216-W284 HydrophobicContact CG2-CG 3.95Å; T216-G285 PolarHBondContact N-O 2.9Å | ||
| 217 | P | 92.3 | Very high | 92.9 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 17% | 0.169 | 25% | 0.246 | C | C | . | . | trans | -56.3 | 112.9 | 172.1 | -24.6 | 34.2 | 0 | 0 | 0 | 111.2 | H219 F228 N267 W282 | P217-H219 VanDerWaalsContact C-N 3.34Å; P217-F228 HydrophobicContact CB-CD2 4.15Å; P217-F228 HydrophobicContact CB-CE2 3.99Å; P217-F228 HydrophobicContact CG-CD2 4.28Å; P217-F228 HydrophobicContact CG-CE2 3.97Å; P217-F228 WeakPolarHBondContact O-CD2 3.49Å; P217-N267 HydrophobicContact CG-CB 4.38Å; P217-W282 VanDerWaalsContact CD-CZ2 3.49Å; P217-W282 HydrophobicContact CG-CZ2 4.21Å | ||
| 218 | S | 86 | Confident | 92.7 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -76.7 | -24.2 | 178.2 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | T216 S226 G227 | T216-S218 PolarHBondContact O-N 3.36Å; S218-S226 CarbonylContact O-C 3.21Å; S218-S226 WeakPolarHBondContact O-CA 3.41Å; S218-G227 PolarHBondContact O-N 2.9Å |
| 219 | H | 88.8 | Confident | 92.5 | Very high | 163 Ų | 163 | 49 Ų | 49 | 76% | 0.755 | 25% | 0.249 | S | C | * | . | trans | -112.6 | 139.9 | 177.1 | -63.4 | -70.6 | 0 | 0 | 0 | 110.6 | P217 | P217-H219 VanDerWaalsContact C-N 3.34Š| ||
| 220 | I | 91.6 | Very high | 92.3 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -133.3 | 147.7 | 179.3 | 53.4 | 170 | 0 | 0 | 0 | 110.6 | F222 G227 F228 Y260 T263 | I220-F222 VanDerWaalsContact C-N 3.26Å; I220-F222 HydrophobicContact CB-CD1 4.38Å; I220-F222 HydrophobicContact CB-CE1 4.06Å; I220-F222 HydrophobicContact CD1-CD1 4.46Å; I220-F222 HydrophobicContact CD1-CD2 4.27Å; I220-F222 HydrophobicContact CD1-CE1 3.91Å; I220-F222 HydrophobicContact CD1-CE2 3.71Å; I220-F222 HydrophobicContact CD1-CZ 3.51Å; I220-F222 HydrophobicContact CG1-CE1 4.43Å; I220-F222 HydrophobicContact CG1-CZ 4.48Å; I220-F222 PolarHBondContact O-N 3.47Å; I220-G227 VanDerWaalsContact CG2-CA 3.48Å; I220-F228 HydrophobicContact CG2-CE2 4.2Å; I220-Y260 HydrophobicContact CD1-CE1 3.72Å; I220-T263 HydrophobicContact CB-CG2 4.46Å; I220-T263 HydrophobicContact CG2-CG2 3.93Å |
| 221 | P | 91.7 | Very high | 92.2 | Very high | 111 Ų | 111 | 49 Ų | 49 | 72% | 0.721 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21.6 | -169.8 | -21.3 | 32.6 | 0 | 0 | 0 | 115.2 | ||
| 222 | F | 93.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 30% | 0.303 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 8.8 | -169.4 | 62.2 | -90 | 0 | 0 | 0 | 113.7 | I220 A259 Y260 T263 | I220-F222 VanDerWaalsContact C-N 3.26Å; I220-F222 HydrophobicContact CB-CD1 4.38Å; I220-F222 HydrophobicContact CB-CE1 4.06Å; I220-F222 HydrophobicContact CD1-CD1 4.46Å; I220-F222 HydrophobicContact CD1-CD2 4.27Å; I220-F222 HydrophobicContact CD1-CE1 3.91Å; I220-F222 HydrophobicContact CD1-CE2 3.71Å; I220-F222 HydrophobicContact CD1-CZ 3.51Å; I220-F222 HydrophobicContact CG1-CE1 4.43Å; I220-F222 HydrophobicContact CG1-CZ 4.48Å; I220-F222 PolarHBondContact O-N 3.47Å; F222-A259 HydrophobicContact CB-CB 4.45Å; F222-A259 HydrophobicContact CD1-CB 3.55Å; F222-A259 HydrophobicContact CD2-CB 3.98Å; F222-A259 HydrophobicContact CE1-CB 3.63Å; F222-A259 WeakPolarHBondContact CE1-O 3.14Å; F222-A259 HydrophobicContact CE2-CB 4.04Å; F222-A259 HydrophobicContact CG-CB 3.73Å; F222-A259 HydrophobicContact CZ-CB 3.85Å; F222-Y260 HydrophobicContact CE1-CD1 4.41Å; F222-Y260 HydrophobicContact CE2-CD2 4.12Å; F222-Y260 HydrophobicContact CE2-CE1 4.29Å; F222-Y260 AromaticContact CE2-CE2 3.92Å; F222-Y260 HydrophobicContact CE2-CE2 3.92Å; F222-Y260 HydrophobicContact CE2-CG 4.41Å; F222-Y260 AromaticContact CE2-CZ 3.98Å; F222-Y260 AromaticContact CZ-CD1 3.6Å; F222-Y260 HydrophobicContact CZ-CD1 3.6Å; F222-Y260 AromaticContact CZ-CD2 3.79Å; F222-Y260 HydrophobicContact CZ-CD2 3.79Å; F222-Y260 AromaticContact CZ-CE1 3.69Å; F222-Y260 HydrophobicContact CZ-CE1 3.69Å; F222-Y260 AromaticContact CZ-CE2 3.92Å; F222-Y260 HydrophobicContact CZ-CE2 3.92Å; F222-Y260 AromaticContact CZ-CG 3.63Å; F222-Y260 HydrophobicContact CZ-CG 3.63Å; F222-Y260 AromaticContact CZ-CZ 3.85Å; F222-T263 WeakPolarHBondContact CE1-OG1 3.48Å |
| 223 | S | 92 | Very high | 92 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -152.5 | 142.4 | -179.9 | 180 | 0 | 0 | 0 | 0 | 111.8 | R225 | S223-R225 VanDerWaalsContact C-N 3.27Å; S223-R225 WeakPolarHBondContact OG-CB 2.97Å; S223-R225 PolarHBondContact OG-N 3.27Å |
| 224 | N | 89.6 | Confident | 91.9 | Very high | 178 Ų | 178 | 42.8 Ų | 42.8 | 95% | 0.952 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -84.5 | -0.5 | 170.5 | -68.8 | -16.4 | 0 | 0 | 0 | 113.1 | ||
| 225 | R | 90.4 | Very high | 91.7 | Very high | 130 Ų | 130 | 45.5 Ų | 45.5 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -89 | 169.5 | 172.3 | -54.7 | -163 | 180 | -167.2 | -3.5 | 110.2 | S223 M248 | S223-R225 VanDerWaalsContact C-N 3.27Å; S223-R225 WeakPolarHBondContact OG-CB 2.97Å; S223-R225 PolarHBondContact OG-N 3.27Å; R225-M248 WeakPolarHBondContact CD-O 3.43Å; R225-M248 PolarHBondContact NH1-O 3.18Å |
| 226 | S | 85.5 | Confident | 91.6 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | trans | -51.8 | 148.9 | 170.5 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | S218 N247 S249 | S218-S226 CarbonylContact O-C 3.21Å; S218-S226 WeakPolarHBondContact O-CA 3.41Å; S226-N247 WeakPolarHBondContact CB-O 3.22Å; S226-N247 PolarHBondContact N-OD1 2.99Å; S226-N247 PolarHBondContact OG-O 3.24Å; S226-S249 VanDerWaalsContact C-OG 3.3Å; S226-S249 WeakPolarHBondContact O-CA 3.3Å; S226-S249 VanDerWaalsContact O-CB 3.25Å; S226-S249 WeakPolarHBondContact O-CB 3.45Å; S226-S249 PolarHBondContact O-OG 3.29Å; S226-S249 PolarHBondContact OG-N 3.31Å; S226-S249 PolarHBondContact OG-OG 3.31Å | ||
| 227 | G | 88.8 | Confident | 91.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -67.7 | -83.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S218 I220 S249 Y260 | S218-G227 PolarHBondContact O-N 2.9Å; I220-G227 VanDerWaalsContact CG2-CA 3.48Å; G227-S249 VanDerWaalsContact C-OG 3.25Å; G227-S249 WeakPolarHBondContact O-CB 3.44Å; G227-S249 PolarHBondContact O-OG 3.48Å; G227-Y260 WeakPolarHBondContact O-CE1 3.4Å |
| 228 | F | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -107.8 | 34.8 | -172.7 | -60.2 | -87.7 | 0 | 0 | 0 | 113.2 | T216 P217 I220 W230 Y260 M264 W282 W284 Q296 L303 | T216-F228 HydrophobicContact CG2-CB 4.3Å; P217-F228 HydrophobicContact CB-CD2 4.15Å; P217-F228 HydrophobicContact CB-CE2 3.99Å; P217-F228 HydrophobicContact CG-CD2 4.28Å; P217-F228 HydrophobicContact CG-CE2 3.97Å; P217-F228 WeakPolarHBondContact O-CD2 3.49Å; I220-F228 HydrophobicContact CG2-CE2 4.2Å; F228-W230 AromaticContact CD1-CH2 3.77Å; F228-W230 HydrophobicContact CD1-CH2 3.77Å; F228-W230 HydrophobicContact CD1-CZ2 4.35Å; F228-W230 HydrophobicContact CD1-CZ3 4.46Å; F228-Y260 HydrophobicContact CD1-CD1 4.25Å; F228-Y260 AromaticContact CE1-CD1 3.83Å; F228-Y260 HydrophobicContact CE1-CD1 3.83Å; F228-Y260 HydrophobicContact CZ-CD1 4.27Å; F228-M264 HydrophobicContact CE1-CB 4.32Å; F228-M264 HydrophobicContact CZ-CB 3.98Å; F228-W282 HydrophobicContact CD2-CH2 4.42Å; F228-W282 HydrophobicContact CG-CH2 4.49Å; F228-W284 HydrophobicContact CB-CZ2 4.03Å; F228-W284 AromaticContact CD1-CH2 3.78Å; F228-W284 HydrophobicContact CD1-CH2 3.78Å; F228-W284 AromaticContact CD1-CZ2 3.48Å; F228-W284 HydrophobicContact CD1-CZ2 3.48Å; F228-W284 VanDerWaalsContact CD1-CZ2 3.48Å; F228-W284 HydrophobicContact CE1-CH2 4.15Å; F228-W284 HydrophobicContact CE1-CZ2 4.3Å; F228-W284 HydrophobicContact CG-CZ2 4.1Å; F228-Q296 PolarHBondContact O-NE2 2.95Å; F228-L303 HydrophobicContact CD1-CD2 4.42Å; F228-L303 HydrophobicContact CE1-CD2 3.99Å |
| 229 | Y | 94.1 | Very high | 91.6 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | trans | -115.6 | 69 | -178.8 | -54.2 | -41.1 | 0 | 0 | 0 | 110.8 | T216 N231 G232 S249 C286 Q289 | T216-Y229 PolarHBondContact O-OH 3.22Å; T216-Y229 WeakPolarHBondContact OG1-CE1 3.44Å; Y229-N231 VanDerWaalsContact C-N 3.27Å; Y229-N231 PolarHBondContact O-N 2.05Å; Y229-G232 PolarHBondContact O-N 3.3Å; Y229-S249 WeakPolarHBondContact CA-OG 3.44Å; Y229-S249 PolarHBondContact N-OG 3.26Å; Y229-S249 PolarHBondContact O-N 3.35Å; Y229-S249 VanDerWaalsContact O-N 3.13Å; Y229-S249 PolarHBondContact O-OG 3.41Å; Y229-C286 HydrophobicContact CE1-CB 3.85Å; Y229-C286 VanDerWaalsContact OH-CB 3.26Å; Y229-C286 WeakPolarHBondContact OH-CB 3.39Å; Y229-C286 PolarHBondContact OH-SG 3.45Å; Y229-C286 VanDerWaalsContact OH-SG 3.41Å; Y229-Q289 HydrophobicContact CD1-CG 3.86Å; Y229-Q289 HydrophobicContact CE1-CG 3.84Å | ||
| 230 | W | 95.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -20.5 | -178.5 | -64 | -78.9 | 0 | 0 | 0 | 113.7 | F228 G232 M248 S249 L250 V252 Y260 W284 V295 Q296 N299 M300 L303 | F228-W230 AromaticContact CD1-CH2 3.77Å; F228-W230 HydrophobicContact CD1-CH2 3.77Å; F228-W230 HydrophobicContact CD1-CZ2 4.35Å; F228-W230 HydrophobicContact CD1-CZ3 4.46Å; W230-G232 VanDerWaalsContact C-N 3.28Å; W230-M248 WeakPolarHBondContact O-CE 3.4Å; W230-S249 VanDerWaalsContact CD1-CB 3.47Å; W230-L250 PolarHBondContact NE1-O 2.89Å; W230-V252 HydrophobicContact CH2-CG2 4.11Å; W230-V252 HydrophobicContact CZ2-CG2 3.45Å; W230-V252 VanDerWaalsContact CZ2-CG2 3.45Å; W230-Y260 HydrophobicContact CZ2-CD1 4.19Å; W230-Y260 AromaticContact CZ2-CE1 3.95Å; W230-Y260 HydrophobicContact CZ2-CE1 3.95Å; W230-Y260 HydrophobicContact CZ2-CE2 4.37Å; W230-W284 HydrophobicContact CH2-CH2 4.27Å; W230-W284 AromaticContact CH2-CZ2 3.67Å; W230-W284 HydrophobicContact CH2-CZ2 3.67Å; W230-W284 HydrophobicContact CZ3-CH2 4.39Å; W230-W284 AromaticContact CZ3-CZ2 3.46Å; W230-W284 HydrophobicContact CZ3-CZ2 3.46Å; W230-W284 VanDerWaalsContact CZ3-CZ2 3.46Å; W230-V295 HydrophobicContact CB-CG1 3.79Å; W230-V295 VanDerWaalsContact O-CG1 3.27Å; W230-V295 WeakPolarHBondContact O-CG1 3.17Å; W230-Q296 VanDerWaalsContact CE3-OE1 3.22Å; W230-N299 HydrophobicContact CD2-CB 3.34Å; W230-N299 HydrophobicContact CE3-CB 3.5Å; W230-N299 HydrophobicContact CG-CB 3.78Å; W230-N299 HydrophobicContact CH2-CB 4.07Å; W230-N299 HydrophobicContact CZ2-CB 3.94Å; W230-N299 HydrophobicContact CZ3-CB 3.85Å; W230-M300 HydrophobicContact CE3-CG 4.49Å; W230-M300 HydrophobicContact CZ3-CG 3.83Å; W230-L303 HydrophobicContact CH2-CD2 4.01Å |
| 231 | N | 92.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.4 | 169.5 | 62.1 | -55 | 0 | 0 | 0 | 113.2 | Y229 Y245 Q289 F290 F291 N292 Q296 | Y229-N231 VanDerWaalsContact C-N 3.27Å; Y229-N231 PolarHBondContact O-N 2.05Å; N231-Y245 WeakPolarHBondContact O-CB 3.31Å; N231-Q289 PolarHBondContact OD1-OE1 3.08Å; N231-F290 PolarHBondContact ND2-N 2.84Å; N231-F291 HydrophobicContact CB-CE1 4.5Å; N231-F291 HydrophobicContact CB-CE2 4.1Å; N231-F291 HydrophobicContact CB-CZ 4.09Å; N231-F291 WeakPolarHBondContact ND2-CD1 3.47Å; N231-F291 WeakPolarHBondContact ND2-CE1 3.15Å; N231-F291 WeakPolarHBondContact ND2-CZ 3.32Å; N231-F291 WeakPolarHBondContact O-CE2 3.35Å; N231-F291 WeakPolarHBondContact O-CZ 3.38Å; N231-N292 HydrophobicContact CB-CB 3.89Å; N231-Q296 HydrophobicContact CB-CG 4.13Å; N231-Q296 VanDerWaalsContact OD1-CG 3.25Å; N231-Q296 WeakPolarHBondContact OD1-CG 3.23Å; N231-Q296 PolarHBondContact OD1-NE2 3.12Å |
| 232 | G | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | 75 | -156.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y229 W230 P246 | Y229-G232 PolarHBondContact O-N 3.3Å; W230-G232 VanDerWaalsContact C-N 3.28Å; G232-P246 WeakPolarHBondContact CA-O 3.34Å | ||
| 233 | V | 92 | Very high | 91 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | trans | -106.3 | 126.9 | -179 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | Y245 P246 N247 | V233-Y245 VanDerWaalsContact O-CD1 3.27Å; V233-Y245 WeakPolarHBondContact O-CD1 3.42Å; V233-P246 HydrophobicContact CB-CG 4.37Å; V233-P246 PolarHBondContact N-O 3.13Å; V233-P246 VanDerWaalsContact N-O 3.1Å; V233-N247 HydrophobicContact CG2-CB 4.3Å | ||
| 234 | A | 92.5 | Very high | 90.9 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | trans | -57.3 | 137.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y50 F236 K288 F291 | Y50-A234 HydrophobicContact CG-CB 4.3Å; A234-F236 HydrophobicContact CB-CE2 4.41Å; A234-K288 HydrophobicContact CB-CB 4.29Å; A234-F291 HydrophobicContact CB-CD1 4.04Å; A234-F291 HydrophobicContact CB-CE1 3.82Å; A234-F291 HydrophobicContact CB-CZ 4.48Å | ||
| 235 | L | 92.3 | Very high | 91 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | trans | -104.6 | 147.1 | 179.3 | -70.7 | -177.8 | 0 | 0 | 0 | 111 | P240 Y245 P246 | L235-P240 HydrophobicContact CD1-CB 4.41Å; L235-P240 HydrophobicContact CD1-CG 4.38Å; L235-Y245 HydrophobicContact CG-CD1 4.37Å; L235-P246 HydrophobicContact CD1-CG 4.46Å; L235-P246 HydrophobicContact CD2-CG 3.83Å; L235-P246 HydrophobicContact CG-CG 4.21Å | ||
| 236 | F | 92 | Very high | 91.1 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 18% | 0.18 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -126.2 | 147.2 | 178.3 | -68.9 | -99.8 | 0 | 0 | 0 | 109.7 | Y41 E45 A49 Y50 A234 K288 | Y41-F236 HydrophobicContact CD1-CB 4.07Å; Y41-F236 AromaticContact CD1-CD1 3.49Å; Y41-F236 HydrophobicContact CD1-CD1 3.49Å; Y41-F236 VanDerWaalsContact CD1-CD1 3.49Å; Y41-F236 AromaticContact CD1-CE1 3.99Å; Y41-F236 HydrophobicContact CD1-CE1 3.99Å; Y41-F236 AromaticContact CD1-CG 3.79Å; Y41-F236 HydrophobicContact CD1-CG 3.79Å; Y41-F236 AromaticContact CD2-CD1 3.93Å; Y41-F236 HydrophobicContact CD2-CD1 3.93Å; Y41-F236 HydrophobicContact CD2-CD2 4.04Å; Y41-F236 AromaticContact CD2-CE1 3.72Å; Y41-F236 HydrophobicContact CD2-CE1 3.72Å; Y41-F236 AromaticContact CD2-CE2 3.87Å; Y41-F236 HydrophobicContact CD2-CE2 3.87Å; Y41-F236 HydrophobicContact CD2-CG 4.08Å; Y41-F236 AromaticContact CD2-CZ 3.69Å; Y41-F236 HydrophobicContact CD2-CZ 3.69Å; Y41-F236 HydrophobicContact CE1-CB 3.51Å; Y41-F236 AromaticContact CE1-CD1 3.81Å; Y41-F236 HydrophobicContact CE1-CD1 3.81Å; Y41-F236 HydrophobicContact CE1-CD2 4.18Å; Y41-F236 AromaticContact CE1-CG 3.58Å; Y41-F236 HydrophobicContact CE1-CG 3.58Å; Y41-F236 HydrophobicContact CE2-CB 4.49Å; Y41-F236 HydrophobicContact CE2-CD1 4.2Å; Y41-F236 AromaticContact CE2-CD2 3.63Å; Y41-F236 HydrophobicContact CE2-CD2 3.63Å; Y41-F236 HydrophobicContact CE2-CE1 4.3Å; Y41-F236 AromaticContact CE2-CE2 3.77Å; Y41-F236 HydrophobicContact CE2-CE2 3.77Å; Y41-F236 AromaticContact CE2-CG 3.86Å; Y41-F236 HydrophobicContact CE2-CG 3.86Å; Y41-F236 HydrophobicContact CE2-CZ 4.1Å; Y41-F236 AromaticContact CG-CD1 3.57Å; Y41-F236 HydrophobicContact CG-CD1 3.57Å; Y41-F236 HydrophobicContact CG-CD2 4.47Å; Y41-F236 AromaticContact CG-CE1 3.55Å; Y41-F236 HydrophobicContact CG-CE1 3.55Å; Y41-F236 HydrophobicContact CG-CE2 4.48Å; Y41-F236 HydrophobicContact CG-CG 4.05Å; Y41-F236 HydrophobicContact CG-CZ 4.04Å; Y41-F236 AromaticContact CZ-CD2 3.71Å; Y41-F236 AromaticContact CZ-CG 3.61Å; E45-F236 HydrophobicContact CB-CD1 4.41Å; A49-F236 HydrophobicContact CB-CD1 3.53Å; A49-F236 HydrophobicContact CB-CD2 4.44Å; A49-F236 HydrophobicContact CB-CE1 3.41Å; A49-F236 VanDerWaalsContact CB-CE1 3.41Å; A49-F236 HydrophobicContact CB-CE2 4.33Å; A49-F236 HydrophobicContact CB-CG 4.07Å; A49-F236 HydrophobicContact CB-CZ 3.84Å; Y50-F236 HydrophobicContact CD1-CE1 4.42Å; Y50-F236 HydrophobicContact CD1-CE2 4.45Å; Y50-F236 AromaticContact CD1-CZ 3.71Å; Y50-F236 HydrophobicContact CD1-CZ 3.71Å; Y50-F236 AromaticContact CE1-CZ 3.82Å; Y50-F236 HydrophobicContact CE1-CZ 3.82Å; A234-F236 HydrophobicContact CB-CE2 4.41Å; F236-K288 HydrophobicContact CE2-CD 4.11Å; F236-K288 HydrophobicContact CZ-CD 4.25Å |
| 237 | P | 90.5 | Very high | 91.4 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | S | Bend | cis | -74.4 | -29.4 | -2.2 | 30.3 | -34 | 0 | 0 | 0 | 112.6 | H48 | H48-P237 PolarHBondContact CD2-O 2.66Š|
| 238 | D | 92.4 | Very high | 91.6 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -108.3 | 141.6 | -172.2 | -62.1 | -61.8 | 0 | 0 | 0 | 113 | H48 | H48-D238 IonicContact CD2-OD1 3.96Å; H48-D238 IonicContact CE1-OD1 2.79Å; H48-D238 IonicContact NE2-OD1 3.86Å; H48-D238 PolarHBondContact NE2-OD1 3.37Å |
| 239 | P | 90.8 | Very high | 91.6 | Very high | 38 Ų | 38 | 54 Ų | 54 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | trans | -52.9 | 146.7 | 160.5 | -29.8 | 39 | 0 | 0 | 0 | 112.9 | Y245 | P239-Y245 WeakPolarHBondContact CB-OH 3.31Š| ||
| 240 | P | 90.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | trans | -66 | 135.3 | 174.6 | 29.8 | -33.4 | 0 | 0 | 0 | 110.9 | L235 D242 G243 V244 Y245 | L235-P240 HydrophobicContact CD1-CB 4.41Å; L235-P240 HydrophobicContact CD1-CG 4.38Å; P240-D242 VanDerWaalsContact C-N 3.27Å; P240-D242 PolarHBondContact O-N 3.4Å; P240-G243 PolarHBondContact O-N 3.11Å; P240-V244 WeakPolarHBondContact CG-O 3.19Å; P240-Y245 HydrophobicContact CG-CD1 3.89Å; P240-Y245 HydrophobicContact CG-CD2 3.87Å; P240-Y245 HydrophobicContact CG-CE1 3.86Å; P240-Y245 HydrophobicContact CG-CE2 3.78Å; P240-Y245 HydrophobicContact CG-CG 3.95Å | ||
| 241 | K | 88.9 | Confident | 91.6 | Very high | 224 Ų | 224 | 58.7 Ų | 58.7 | 97% | 0.974 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.8 | -175 | -66.5 | -176 | 179.3 | 179.7 | 0 | 113.9 | G243 | K241-G243 VanDerWaalsContact C-N 3.31Š|
| 242 | D | 88.9 | Confident | 91.8 | Very high | 120 Ų | 120 | 59.6 Ų | 59.6 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.7 | 177.3 | 62.3 | -0.3 | 0 | 0 | 0 | 112.8 | P240 V244 | P240-D242 VanDerWaalsContact C-N 3.27Å; P240-D242 PolarHBondContact O-N 3.4Å; D242-V244 HydrophobicContact CB-CG2 4.43Å; D242-V244 PolarHBondContact O-N 3.11Å; D242-V244 PolarHBondContact OD1-N 2.92Å |
| 243 | G | 84.5 | Confident | 92 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 71.4 | 11.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P240 K241 Y245 | P240-G243 PolarHBondContact O-N 3.11Å; K241-G243 VanDerWaalsContact C-N 3.31Å; G243-Y245 WeakPolarHBondContact O-CD2 3.41Å |
| 244 | V | 88.3 | Confident | 92.2 | Very high | 88 Ų | 88 | 68.2 Ų | 68.2 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | trans | -97.6 | 110.7 | 180 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | P240 D242 M248 | P240-V244 WeakPolarHBondContact CG-O 3.19Å; D242-V244 HydrophobicContact CB-CG2 4.43Å; D242-V244 PolarHBondContact O-N 3.11Å; D242-V244 PolarHBondContact OD1-N 2.92Å; V244-M248 HydrophobicContact CG1-SD 4.38Å | ||
| 245 | Y | 93 | Very high | 92.3 | Very high | 23 Ų | 23 | 75 Ų | 75 | 9% | 0.09 | 40% | 0.402 | C | S | . | . | trans | -93.4 | 152.7 | -179.1 | -72 | -96.3 | 0 | 0 | 0 | 111.6 | N231 V233 L235 P239 P240 G243 M248 F291 | N231-Y245 WeakPolarHBondContact O-CB 3.31Å; V233-Y245 VanDerWaalsContact O-CD1 3.27Å; V233-Y245 WeakPolarHBondContact O-CD1 3.42Å; L235-Y245 HydrophobicContact CG-CD1 4.37Å; P239-Y245 WeakPolarHBondContact CB-OH 3.31Å; P240-Y245 HydrophobicContact CG-CD1 3.89Å; P240-Y245 HydrophobicContact CG-CD2 3.87Å; P240-Y245 HydrophobicContact CG-CE1 3.86Å; P240-Y245 HydrophobicContact CG-CE2 3.78Å; P240-Y245 HydrophobicContact CG-CG 3.95Å; G243-Y245 WeakPolarHBondContact O-CD2 3.41Å; Y245-M248 VanDerWaalsContact O-CG 3.26Å; Y245-M248 WeakPolarHBondContact O-CG 3.39Å; Y245-F291 AromaticContact CD1-CE2 3.89Å; Y245-F291 HydrophobicContact CD1-CE2 3.89Å; Y245-F291 AromaticContact CD1-CZ 3.74Å; Y245-F291 HydrophobicContact CD1-CZ 3.74Å; Y245-F291 AromaticContact CD2-CE2 3.72Å; Y245-F291 HydrophobicContact CD2-CE2 3.72Å; Y245-F291 HydrophobicContact CD2-CZ 4.17Å; Y245-F291 HydrophobicContact CE1-CD2 4.42Å; Y245-F291 AromaticContact CE1-CE2 3.61Å; Y245-F291 HydrophobicContact CE1-CE2 3.61Å; Y245-F291 AromaticContact CE1-CZ 3.82Å; Y245-F291 HydrophobicContact CE1-CZ 3.82Å; Y245-F291 HydrophobicContact CE2-CD2 4.28Å; Y245-F291 AromaticContact CE2-CE2 3.48Å; Y245-F291 HydrophobicContact CE2-CE2 3.48Å; Y245-F291 VanDerWaalsContact CE2-CE2 3.48Å; Y245-F291 HydrophobicContact CE2-CZ 4.28Å; Y245-F291 AromaticContact CG-CE2 3.89Å; Y245-F291 HydrophobicContact CG-CE2 3.89Å; Y245-F291 AromaticContact CG-CZ 3.87Å; Y245-F291 HydrophobicContact CG-CZ 3.87Å; Y245-F291 AromaticContact CZ-CD2 3.99Å; Y245-F291 AromaticContact CZ-CE2 3.37Å | ||
| 246 | P | 92.3 | Very high | 92.6 | Very high | 59 Ų | 59 | 73 Ų | 73 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 153.8 | 175.8 | 28.9 | -35.7 | 0 | 0 | 0 | 111.3 | G232 V233 L235 M248 | G232-P246 WeakPolarHBondContact CA-O 3.34Å; V233-P246 HydrophobicContact CB-CG 4.37Å; V233-P246 PolarHBondContact N-O 3.13Å; V233-P246 VanDerWaalsContact N-O 3.1Å; L235-P246 HydrophobicContact CD1-CG 4.46Å; L235-P246 HydrophobicContact CD2-CG 3.83Å; L235-P246 HydrophobicContact CG-CG 4.21Å; P246-M248 VanDerWaalsContact C-N 3.26Å; P246-M248 PolarHBondContact O-N 3.25Å |
| 247 | N | 91 | Very high | 92.8 | Very high | 84 Ų | 84 | 71.8 Ų | 71.8 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37 | 174.1 | -162.4 | 25.1 | 0 | 0 | 0 | 114.1 | S226 V233 | S226-N247 WeakPolarHBondContact CB-O 3.22Å; S226-N247 PolarHBondContact N-OD1 2.99Å; S226-N247 PolarHBondContact OG-O 3.24Å; V233-N247 HydrophobicContact CG2-CB 4.3Å |
| 248 | M | 93.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 71.2 Ų | 71.2 | 21% | 0.212 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -70 | 132.2 | 171 | -69.1 | 170.3 | 81.9 | 0 | 0 | 111.1 | R225 W230 V244 Y245 P246 V295 | R225-M248 WeakPolarHBondContact CD-O 3.43Å; R225-M248 PolarHBondContact NH1-O 3.18Å; W230-M248 WeakPolarHBondContact O-CE 3.4Å; V244-M248 HydrophobicContact CG1-SD 4.38Å; Y245-M248 VanDerWaalsContact O-CG 3.26Å; Y245-M248 WeakPolarHBondContact O-CG 3.39Å; P246-M248 VanDerWaalsContact C-N 3.26Å; P246-M248 PolarHBondContact O-N 3.25Å; M248-V295 HydrophobicContact CE-CG1 4.4Å |
| 249 | S | 94.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 153.9 | 174.7 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | S226 G227 Y229 W230 | S226-S249 VanDerWaalsContact C-OG 3.3Å; S226-S249 WeakPolarHBondContact O-CA 3.3Å; S226-S249 VanDerWaalsContact O-CB 3.25Å; S226-S249 WeakPolarHBondContact O-CB 3.45Å; S226-S249 PolarHBondContact O-OG 3.29Å; S226-S249 PolarHBondContact OG-N 3.31Å; S226-S249 PolarHBondContact OG-OG 3.31Å; G227-S249 VanDerWaalsContact C-OG 3.25Å; G227-S249 WeakPolarHBondContact O-CB 3.44Å; G227-S249 PolarHBondContact O-OG 3.48Å; Y229-S249 WeakPolarHBondContact CA-OG 3.44Å; Y229-S249 PolarHBondContact N-OG 3.26Å; Y229-S249 PolarHBondContact O-N 3.35Å; Y229-S249 VanDerWaalsContact O-N 3.13Å; Y229-S249 PolarHBondContact O-OG 3.41Å; W230-S249 VanDerWaalsContact CD1-CB 3.47Å |
| 250 | L | 94.4 | Very high | 93.8 | Very high | 52 Ų | 52 | 66 Ų | 66 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.8 | 172.3 | -65.7 | 177.4 | 0 | 0 | 0 | 109.4 | W230 Y260 | W230-L250 PolarHBondContact NE1-O 2.89Å; L250-Y260 PolarHBondContact N-OH 3.37Å; L250-Y260 WeakPolarHBondContact O-CE2 3.25Å; L250-Y260 PolarHBondContact O-OH 2.7Å |
| 251 | P | 95.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 64.7 Ų | 64.7 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 152.3 | -179.5 | 26.8 | -34.5 | 0 | 0 | 0 | 111.5 | T253 T256 N299 | P251-T253 HydrophobicContact CB-CG2 4.34Å; P251-T253 HydrophobicContact CG-CG2 4.15Å; P251-T253 PolarHBondContact O-N 3.08Å; P251-T256 PolarHBondContact O-OG1 3.17Å; P251-N299 WeakPolarHBondContact CA-OD1 3.49Å |
| 252 | V | 97.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 58 Ų | 58 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | trans | -75.8 | 106.9 | 172.1 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | W230 T256 V257 Y260 N299 P302 L303 | W230-V252 HydrophobicContact CH2-CG2 4.11Å; W230-V252 HydrophobicContact CZ2-CG2 3.45Å; W230-V252 VanDerWaalsContact CZ2-CG2 3.45Å; V252-T256 WeakPolarHBondContact CA-OG1 3.42Å; V252-V257 HydrophobicContact CG1-CB 3.84Å; V252-V257 HydrophobicContact CG1-CG2 3.79Å; V252-Y260 HydrophobicContact CG2-CD2 3.93Å; V252-Y260 HydrophobicContact CG2-CE2 4.19Å; V252-Y260 HydrophobicContact CG2-CG 4.48Å; V252-N299 HydrophobicContact CB-CB 4.25Å; V252-N299 HydrophobicContact CG2-CB 3.85Å; V252-N299 WeakPolarHBondContact CG2-O 3.37Å; V252-N299 PolarHBondContact N-OD1 2.59Å; V252-P302 HydrophobicContact CB-CG 4.47Å; V252-P302 HydrophobicContact CG1-CB 4.43Å; V252-P302 HydrophobicContact CG1-CG 4.07Å; V252-L303 HydrophobicContact CG1-CB 4.25Å; V252-L303 HydrophobicContact CG2-CB 4.37Å | ||
| 253 | T | 97.2 | Very high | 94.9 | Very high | 54 Ų | 54 | 53 Ų | 53 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | trans | -123.6 | 179.4 | 177.7 | 71.2 | 0 | 0 | 0 | 0 | 109.5 | P251 E255 T256 V257 | P251-T253 HydrophobicContact CB-CG2 4.34Å; P251-T253 HydrophobicContact CG-CG2 4.15Å; P251-T253 PolarHBondContact O-N 3.08Å; T253-E255 WeakPolarHBondContact CB-OE2 3.5Å; T253-E255 PolarHBondContact O-N 3.22Å; T253-E255 PolarHBondContact OG1-N 2.74Å; T253-E255 PolarHBondContact OG1-OE2 2.9Å; T253-T256 PolarHBondContact N-OG1 2.78Å; T253-T256 PolarHBondContact O-N 2.83Å; T253-T256 PolarHBondContact OG1-OG1 3Å; T253-V257 WeakPolarHBondContact O-CB 3.45Å; T253-V257 WeakPolarHBondContact O-CG1 2.95Å; T253-V257 PolarHBondContact O-N 3.02Å | ||
| 254 | K | 95.6 | Very high | 95.6 | Very high | 193 Ų | 193 | 51.2 Ų | 51.2 | 84% | 0.839 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.2 | 176.1 | -68 | -177.8 | 179 | 179.7 | 0 | 112.3 | ||
| 255 | E | 95.9 | Very high | 96 | Very high | 153 Ų | 153 | 47.1 Ų | 47.1 | 72% | 0.715 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -31.2 | -178 | -56.5 | 70.7 | -148.7 | 0 | 0 | 112.5 | T253 | T253-E255 WeakPolarHBondContact CB-OE2 3.5Å; T253-E255 PolarHBondContact O-N 3.22Å; T253-E255 PolarHBondContact OG1-N 2.74Å; T253-E255 PolarHBondContact OG1-OE2 2.9Å |
| 256 | T | 96.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -21.7 | -174.2 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | P251 V252 T253 H258 A259 Y260 | P251-T256 PolarHBondContact O-OG1 3.17Å; V252-T256 WeakPolarHBondContact CA-OG1 3.42Å; T253-T256 PolarHBondContact N-OG1 2.78Å; T253-T256 PolarHBondContact O-N 2.83Å; T253-T256 PolarHBondContact OG1-OG1 3Å; T256-H258 VanDerWaalsContact C-N 3.33Å; T256-H258 PolarHBondContact O-N 3.3Å; T256-A259 PolarHBondContact O-N 3.1Å; T256-Y260 WeakPolarHBondContact O-CD2 3.1Å; T256-Y260 PolarHBondContact O-N 2.96Å |
| 257 | V | 98.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | -172.7 | 65.9 | 0 | 0 | 0 | 0 | 113 | V252 T253 Y260 A261 L303 Y306 | V252-V257 HydrophobicContact CG1-CB 3.84Å; V252-V257 HydrophobicContact CG1-CG2 3.79Å; T253-V257 WeakPolarHBondContact O-CB 3.45Å; T253-V257 WeakPolarHBondContact O-CG1 2.95Å; T253-V257 PolarHBondContact O-N 3.02Å; V257-Y260 PolarHBondContact O-N 3.04Å; V257-A261 VanDerWaalsContact O-CB 3.24Å; V257-A261 WeakPolarHBondContact O-CB 3.33Å; V257-A261 PolarHBondContact O-N 3.14Å; V257-L303 HydrophobicContact CG2-CD1 4.36Å; V257-Y306 HydrophobicContact CG1-CD2 4.04Å; V257-Y306 HydrophobicContact CG1-CE2 4.06Å; V257-Y306 HydrophobicContact CG1-CG 4.31Å; V257-Y306 HydrophobicContact CG2-CD1 3.87Å; V257-Y306 HydrophobicContact CG2-CD2 4.06Å; V257-Y306 HydrophobicContact CG2-CG 3.57Å |
| 258 | H | 97.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 44.4 Ų | 44.4 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.7 | -44 | 179.5 | -177.1 | 82.7 | 0 | 0 | 0 | 111.6 | T256 Y260 A261 Q262 Y306 E313 F314 | T256-H258 VanDerWaalsContact C-N 3.33Å; T256-H258 PolarHBondContact O-N 3.3Å; H258-Y260 PolarHBondContact O-N 3.26Å; H258-A261 PolarHBondContact O-N 3.46Å; H258-Q262 WeakPolarHBondContact O-CB 3.49Å; H258-Q262 PolarHBondContact O-N 3.44Å; H258-Y306 HydrophobicContact CB-CE1 4.25Å; H258-Y306 PolarHBondContact ND1-OH 2.92Å; H258-E313 IonicContact CE1-OE1 3.79Å; H258-E313 PolarHBondContact CE1-OE1 3.41Å; H258-E313 VanDerWaalsContact CE1-OE1 3.3Å; H258-F314 AromaticContact ND1-CZ 3.99Å |
| 259 | A | 97.1 | Very high | 97 | Very high | 24 Ų | 24 | 47 Ų | 47 | 20% | 0.198 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F222 T256 T263 | F222-A259 HydrophobicContact CB-CB 4.45Å; F222-A259 HydrophobicContact CD1-CB 3.55Å; F222-A259 HydrophobicContact CD2-CB 3.98Å; F222-A259 HydrophobicContact CE1-CB 3.63Å; F222-A259 WeakPolarHBondContact CE1-O 3.14Å; F222-A259 HydrophobicContact CE2-CB 4.04Å; F222-A259 HydrophobicContact CG-CB 3.73Å; F222-A259 HydrophobicContact CZ-CB 3.85Å; T256-A259 PolarHBondContact O-N 3.1Å; A259-T263 WeakPolarHBondContact O-CB 3.3Å; A259-T263 PolarHBondContact O-N 3.46Å; A259-T263 PolarHBondContact O-OG1 3.13Å |
| 260 | Y | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 170.9 | -84 | -65.4 | 0 | 0 | 0 | 112 | I220 F222 G227 F228 W230 L250 V252 T256 V257 H258 T263 M264 | I220-Y260 HydrophobicContact CD1-CE1 3.72Å; F222-Y260 HydrophobicContact CE1-CD1 4.41Å; F222-Y260 HydrophobicContact CE2-CD2 4.12Å; F222-Y260 HydrophobicContact CE2-CE1 4.29Å; F222-Y260 AromaticContact CE2-CE2 3.92Å; F222-Y260 HydrophobicContact CE2-CE2 3.92Å; F222-Y260 HydrophobicContact CE2-CG 4.41Å; F222-Y260 AromaticContact CE2-CZ 3.98Å; F222-Y260 AromaticContact CZ-CD1 3.6Å; F222-Y260 HydrophobicContact CZ-CD1 3.6Å; F222-Y260 AromaticContact CZ-CD2 3.79Å; F222-Y260 HydrophobicContact CZ-CD2 3.79Å; F222-Y260 AromaticContact CZ-CE1 3.69Å; F222-Y260 HydrophobicContact CZ-CE1 3.69Å; F222-Y260 AromaticContact CZ-CE2 3.92Å; F222-Y260 HydrophobicContact CZ-CE2 3.92Å; F222-Y260 AromaticContact CZ-CG 3.63Å; F222-Y260 HydrophobicContact CZ-CG 3.63Å; F222-Y260 AromaticContact CZ-CZ 3.85Å; G227-Y260 WeakPolarHBondContact O-CE1 3.4Å; F228-Y260 HydrophobicContact CD1-CD1 4.25Å; F228-Y260 AromaticContact CE1-CD1 3.83Å; F228-Y260 HydrophobicContact CE1-CD1 3.83Å; F228-Y260 HydrophobicContact CZ-CD1 4.27Å; W230-Y260 HydrophobicContact CZ2-CD1 4.19Å; W230-Y260 AromaticContact CZ2-CE1 3.95Å; W230-Y260 HydrophobicContact CZ2-CE1 3.95Å; W230-Y260 HydrophobicContact CZ2-CE2 4.37Å; L250-Y260 PolarHBondContact N-OH 3.37Å; L250-Y260 WeakPolarHBondContact O-CE2 3.25Å; L250-Y260 PolarHBondContact O-OH 2.7Å; V252-Y260 HydrophobicContact CG2-CD2 3.93Å; V252-Y260 HydrophobicContact CG2-CE2 4.19Å; V252-Y260 HydrophobicContact CG2-CG 4.48Å; T256-Y260 WeakPolarHBondContact O-CD2 3.1Å; T256-Y260 PolarHBondContact O-N 2.96Å; V257-Y260 PolarHBondContact O-N 3.04Å; H258-Y260 PolarHBondContact O-N 3.26Å; Y260-T263 PolarHBondContact O-N 3.32Å; Y260-M264 WeakPolarHBondContact O-CB 3.3Å; Y260-M264 PolarHBondContact O-N 3.28Å |
| 261 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V257 H258 M264 A265 L303 Y306 I307 F314 | V257-A261 VanDerWaalsContact O-CB 3.24Å; V257-A261 WeakPolarHBondContact O-CB 3.33Å; V257-A261 PolarHBondContact O-N 3.14Å; H258-A261 PolarHBondContact O-N 3.46Å; A261-M264 PolarHBondContact O-N 3.14Å; A261-A265 WeakPolarHBondContact O-CB 3.34Å; A261-A265 PolarHBondContact O-N 2.99Å; A261-L303 HydrophobicContact CB-CD1 3.86Å; A261-Y306 HydrophobicContact CB-CD1 3.66Å; A261-Y306 HydrophobicContact CB-CE1 3.91Å; A261-I307 HydrophobicContact CB-CD1 4.33Å; A261-I307 HydrophobicContact CB-CG1 3.63Å; A261-F314 HydrophobicContact CB-CE1 4.12Å; A261-F314 HydrophobicContact CB-CE2 3.8Å; A261-F314 HydrophobicContact CB-CZ 3.55Å |
| 262 | Q | 97.6 | Very high | 97.3 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.2 | -49.4 | 174.3 | -177.2 | 177.7 | -1.1 | 0 | 0 | 111.1 | H258 M264 A265 E266 F314 | H258-Q262 WeakPolarHBondContact O-CB 3.49Å; H258-Q262 PolarHBondContact O-N 3.44Å; Q262-M264 PolarHBondContact O-N 3.38Å; Q262-A265 PolarHBondContact O-N 2.95Å; Q262-E266 HydrophobicContact CG-CG 4.4Å; Q262-E266 VanDerWaalsContact CG-OE1 3.26Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.43Å; Q262-E266 PolarHBondContact NE2-OE1 2.88Å; Q262-E266 WeakPolarHBondContact O-CB 3.21Å; Q262-E266 VanDerWaalsContact O-CG 3.32Å; Q262-E266 WeakPolarHBondContact O-CG 3.49Å; Q262-E266 PolarHBondContact O-N 2.98Å; Q262-F314 HydrophobicContact CB-CE1 4.19Å |
| 263 | T | 96.9 | Very high | 97.3 | Very high | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | -179.3 | -56.8 | 0 | 0 | 0 | 0 | 112 | I220 F222 A259 Y260 N267 | I220-T263 HydrophobicContact CB-CG2 4.46Å; I220-T263 HydrophobicContact CG2-CG2 3.93Å; F222-T263 WeakPolarHBondContact CE1-OG1 3.48Å; A259-T263 WeakPolarHBondContact O-CB 3.3Å; A259-T263 PolarHBondContact O-N 3.46Å; A259-T263 PolarHBondContact O-OG1 3.13Å; Y260-T263 PolarHBondContact O-N 3.32Å; T263-N267 PolarHBondContact O-N 2.99Å; T263-N267 VanDerWaalsContact O-N 3.11Å |
| 264 | M | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 176.5 | -173 | 179.9 | 179.6 | 0 | 0 | 111.2 | V29 F228 Y260 A261 Q262 E266 N267 I268 W282 W284 I307 V318 | V29-M264 HydrophobicContact CG2-CE 3.65Å; F228-M264 HydrophobicContact CE1-CB 4.32Å; F228-M264 HydrophobicContact CZ-CB 3.98Å; Y260-M264 WeakPolarHBondContact O-CB 3.3Å; Y260-M264 PolarHBondContact O-N 3.28Å; A261-M264 PolarHBondContact O-N 3.14Å; Q262-M264 PolarHBondContact O-N 3.38Å; M264-E266 PolarHBondContact O-N 2.94Å; M264-N267 PolarHBondContact O-N 2.75Å; M264-I268 HydrophobicContact CE-CD1 4.05Å; M264-I268 HydrophobicContact CG-CD1 3.84Å; M264-I268 HydrophobicContact CG-CG1 4.44Å; M264-I268 WeakPolarHBondContact O-CB 3.07Å; M264-I268 VanDerWaalsContact O-CG1 3.24Å; M264-I268 WeakPolarHBondContact O-CG1 3.4Å; M264-I268 PolarHBondContact O-N 3.12Å; M264-W282 HydrophobicContact CE-CD2 4.02Å; M264-W282 HydrophobicContact CE-CE3 3.88Å; M264-W282 HydrophobicContact CE-CH2 4.35Å; M264-W282 HydrophobicContact CE-CZ2 4.49Å; M264-W282 HydrophobicContact CE-CZ3 4.08Å; M264-W282 HydrophobicContact CG-CZ2 4.14Å; M264-W284 HydrophobicContact CE-CE3 3.96Å; M264-W284 HydrophobicContact CE-CH2 4.46Å; M264-W284 HydrophobicContact CE-CZ3 3.48Å; M264-W284 VanDerWaalsContact CE-CZ3 3.48Å; M264-W284 HydrophobicContact SD-CH2 4.04Å; M264-W284 HydrophobicContact SD-CZ3 3.59Å; M264-W284 VanDerWaalsContact SD-CZ3 3.59Å; M264-I307 HydrophobicContact CB-CD1 4.31Å; M264-I307 HydrophobicContact CG-CD1 4.34Å; M264-I307 HydrophobicContact SD-CD1 3.58Å; M264-I307 VanDerWaalsContact SD-CD1 3.58Å; M264-V318 HydrophobicContact CE-CG1 4.01Å |
| 265 | A | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A261 Q262 I268 K269 F314 V316 | A261-A265 WeakPolarHBondContact O-CB 3.34Å; A261-A265 PolarHBondContact O-N 2.99Å; Q262-A265 PolarHBondContact O-N 2.95Å; A265-I268 PolarHBondContact O-N 3.47Å; A265-K269 WeakPolarHBondContact O-CB 3.15Å; A265-K269 WeakPolarHBondContact O-CG 3.37Å; A265-K269 PolarHBondContact O-N 2.81Å; A265-F314 HydrophobicContact CB-CB 3.9Å; A265-F314 HydrophobicContact CB-CD1 3.8Å; A265-F314 HydrophobicContact CB-CG 4.12Å; A265-V316 HydrophobicContact CB-CG2 4.06Å |
| 266 | E | 96.9 | Very high | 97.4 | Very high | 97 Ų | 97 | 34.4 Ų | 34.4 | 45% | 0.453 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 174.3 | -74.3 | 172.5 | -176.3 | 0 | 0 | 111.3 | Q262 M264 I268 K269 Q270 | Q262-E266 HydrophobicContact CG-CG 4.4Å; Q262-E266 VanDerWaalsContact CG-OE1 3.26Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.43Å; Q262-E266 PolarHBondContact NE2-OE1 2.88Å; Q262-E266 WeakPolarHBondContact O-CB 3.21Å; Q262-E266 VanDerWaalsContact O-CG 3.32Å; Q262-E266 WeakPolarHBondContact O-CG 3.49Å; Q262-E266 PolarHBondContact O-N 2.98Å; M264-E266 PolarHBondContact O-N 2.94Å; E266-I268 PolarHBondContact O-N 2.86Å; E266-K269 PolarHBondContact O-N 3.26Å; E266-Q270 WeakPolarHBondContact O-CB 3.33Å; E266-Q270 PolarHBondContact O-N 3.45Å |
| 267 | N | 97.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.4 | -174.2 | -107.7 | 0 | 0 | 0 | 112.2 | P217 T263 M264 Q270 R271 W282 | P217-N267 HydrophobicContact CG-CB 4.38Å; T263-N267 PolarHBondContact O-N 2.99Å; T263-N267 VanDerWaalsContact O-N 3.11Å; M264-N267 PolarHBondContact O-N 2.75Å; N267-Q270 PolarHBondContact O-N 2.83Å; N267-R271 WeakPolarHBondContact O-CG 3.43Å; N267-R271 PolarHBondContact O-N 3.18Å; N267-R271 PolarHBondContact OD1-NE 2.84Å; N267-W282 PolarHBondContact OD1-NE1 2.93Å |
| 268 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -51.9 | 174.2 | -74.8 | 164.4 | 0 | 0 | 0 | 110.6 | I25 T27 M264 A265 E266 Q270 R271 A272 L280 W282 V316 V318 | I25-I268 HydrophobicContact CB-CG2 4.41Å; I25-I268 HydrophobicContact CD1-CG2 4.48Å; I25-I268 HydrophobicContact CG2-CG2 3.92Å; T27-I268 HydrophobicContact CG2-CD1 3.82Å; T27-I268 HydrophobicContact CG2-CG1 3.94Å; T27-I268 VanDerWaalsContact OG1-CG2 3.26Å; T27-I268 WeakPolarHBondContact OG1-CG2 3.27Å; M264-I268 HydrophobicContact CE-CD1 4.05Å; M264-I268 HydrophobicContact CG-CD1 3.84Å; M264-I268 HydrophobicContact CG-CG1 4.44Å; M264-I268 WeakPolarHBondContact O-CB 3.07Å; M264-I268 VanDerWaalsContact O-CG1 3.24Å; M264-I268 WeakPolarHBondContact O-CG1 3.4Å; M264-I268 PolarHBondContact O-N 3.12Å; A265-I268 PolarHBondContact O-N 3.47Å; E266-I268 PolarHBondContact O-N 2.86Å; I268-Q270 VanDerWaalsContact C-N 3.28Å; I268-Q270 PolarHBondContact O-N 3.31Å; I268-R271 PolarHBondContact O-N 2.81Å; I268-A272 VanDerWaalsContact O-CB 3.24Å; I268-A272 WeakPolarHBondContact O-CB 3.41Å; I268-A272 PolarHBondContact O-N 2.95Å; I268-L280 HydrophobicContact CB-CD2 4.02Å; I268-L280 HydrophobicContact CG1-CD2 4.14Å; I268-L280 HydrophobicContact CG2-CD2 3.71Å; I268-L280 WeakPolarHBondContact O-CD2 3.34Å; I268-W282 HydrophobicContact CG1-CG 4.33Å; I268-V316 HydrophobicContact CB-CG1 4.31Å; I268-V316 HydrophobicContact CD1-CG2 4.27Å; I268-V316 HydrophobicContact CG2-CB 4.13Å; I268-V316 HydrophobicContact CG2-CG1 3.57Å; I268-V318 HydrophobicContact CD1-CG1 3.89Å |
| 269 | K | 97.6 | Very high | 97 | Very high | 96 Ų | 96 | 35.8 Ų | 35.8 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.8 | -41.8 | 179.7 | -77.6 | 171.4 | 173.3 | 168 | 0 | 111.7 | I25 A265 E266 A273 F314 V316 | I25-K269 HydrophobicContact CD1-CG 3.97Å; A265-K269 WeakPolarHBondContact O-CB 3.15Å; A265-K269 WeakPolarHBondContact O-CG 3.37Å; A265-K269 PolarHBondContact O-N 2.81Å; E266-K269 PolarHBondContact O-N 3.26Å; K269-A273 PolarHBondContact O-N 2.68Å; K269-F314 WeakPolarHBondContact CE-O 3.44Å; K269-F314 PolarHBondContact NZ-O 3.39Å; K269-V316 HydrophobicContact CG-CG1 4.23Å |
| 270 | Q | 96.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 34.7 Ų | 34.7 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.8 | -49.4 | 177.9 | -171.9 | -179.9 | 9.7 | 0 | 0 | 111.9 | Y212 E266 N267 I268 A273 W274 | Y212-Q270 HydrophobicContact CE2-CG 4.48Å; Y212-Q270 PolarHBondContact OH-NE2 3.18Å; Y212-Q270 PolarHBondContact OH-OE1 3.37Å; E266-Q270 WeakPolarHBondContact O-CB 3.33Å; E266-Q270 PolarHBondContact O-N 3.45Å; N267-Q270 PolarHBondContact O-N 2.83Å; I268-Q270 VanDerWaalsContact C-N 3.28Å; I268-Q270 PolarHBondContact O-N 3.31Å; Q270-A273 WeakPolarHBondContact O-CB 3.31Å; Q270-A273 PolarHBondContact O-N 2.76Å; Q270-W274 HydrophobicContact CG-CH2 3.91Å; Q270-W274 HydrophobicContact CG-CZ2 4.13Å |
| 271 | R | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.8 | -70.1 | -178.5 | -176.8 | -115 | 14.8 | 111.5 | D210 Y212 S213 C215 N267 I268 A273 W274 F275 L280 | D210-R271 IonicContact OD1-CZ 2.78Å; D210-R271 IonicContact OD1-NH1 3.19Å; D210-R271 PolarHBondContact OD1-NH1 3.28Å; D210-R271 WeakPolarHBondContact OD2-CD 3.03Å; D210-R271 IonicContact OD2-CZ 2.77Å; D210-R271 IonicContact OD2-NE 2.75Å; D210-R271 IonicContact OD2-NH1 3.25Å; D210-R271 PolarHBondContact OD2-NH1 3.21Å; Y212-R271 HydrophobicContact CD2-CG 3.93Å; Y212-R271 HydrophobicContact CE2-CG 4.44Å; S213-R271 PolarHBondContact O-NH1 3.39Å; C215-R271 PolarHBondContact O-NH2 3.06Å; N267-R271 WeakPolarHBondContact O-CG 3.43Å; N267-R271 PolarHBondContact O-N 3.18Å; N267-R271 PolarHBondContact OD1-NE 2.84Å; I268-R271 PolarHBondContact O-N 2.81Å; R271-A273 PolarHBondContact O-N 2.82Å; R271-W274 HydrophobicContact CG-CZ3 4.29Å; R271-W274 PolarHBondContact O-N 3.29Å; R271-F275 WeakPolarHBondContact O-CD2 3.39Å; R271-L280 HydrophobicContact CB-CD1 3.81Å; R271-L280 HydrophobicContact CB-CD2 3.96Å |
| 272 | A | 97.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -31.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I25 I268 W274 F275 L280 | I25-A272 HydrophobicContact CD1-CB 3.7Å; I25-A272 HydrophobicContact CG1-CB 4.26Å; I25-A272 HydrophobicContact CG2-CB 3.99Å; I268-A272 VanDerWaalsContact O-CB 3.24Å; I268-A272 WeakPolarHBondContact O-CB 3.41Å; I268-A272 PolarHBondContact O-N 2.95Å; A272-W274 PolarHBondContact O-N 2.87Å; A272-W274 VanDerWaalsContact O-N 3.16Å; A272-F275 PolarHBondContact O-N 2.73Å; A272-F275 VanDerWaalsContact O-N 3.12Å; A272-L280 HydrophobicContact CB-CD2 4.43Å |
| 273 | A | 96.9 | Very high | 97.1 | Very high | 54 Ų | 54 | 30.9 Ų | 30.9 | 45% | 0.446 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K186 K269 Q270 R271 | K186-A273 WeakPolarHBondContact CE-O 3.28Å; K186-A273 PolarHBondContact NZ-O 2.74Å; K269-A273 PolarHBondContact O-N 2.68Å; Q270-A273 WeakPolarHBondContact O-CB 3.31Å; Q270-A273 PolarHBondContact O-N 2.76Å; R271-A273 PolarHBondContact O-N 2.82Å |
| 274 | W | 97.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 30.1 Ų | 30.1 | 14% | 0.144 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.4 | 179.6 | -57.4 | -43.7 | 0 | 0 | 0 | 114.6 | Q183 K186 L188 D210 Q211 Y212 Q270 R271 A272 | Q183-W274 HydrophobicContact CB-CB 4.26Å; Q183-W274 HydrophobicContact CB-CD2 4.28Å; Q183-W274 HydrophobicContact CB-CG 3.83Å; Q183-W274 HydrophobicContact CG-CB 4.29Å; Q183-W274 HydrophobicContact CG-CD2 4.13Å; Q183-W274 HydrophobicContact CG-CG 4.01Å; K186-W274 WeakPolarHBondContact CA-O 3.46Å; L188-W274 HydrophobicContact CD1-CB 4.28Å; D210-W274 HydrophobicContact CB-CE3 3.5Å; D210-W274 HydrophobicContact CB-CZ3 3.75Å; Q211-W274 HydrophobicContact CG-CH2 3.7Å; Q211-W274 HydrophobicContact CG-CZ3 3.96Å; Q211-W274 VanDerWaalsContact NE2-CH2 3.26Å; Y212-W274 HydrophobicContact CD2-CH2 4.26Å; Y212-W274 AromaticContact CD2-CZ3 4Å; Y212-W274 HydrophobicContact CD2-CZ3 4Å; Y212-W274 AromaticContact CE2-CH2 3.68Å; Y212-W274 HydrophobicContact CE2-CH2 3.68Å; Y212-W274 AromaticContact CE2-CZ3 3.85Å; Y212-W274 HydrophobicContact CE2-CZ3 3.85Å; Q270-W274 HydrophobicContact CG-CH2 3.91Å; Q270-W274 HydrophobicContact CG-CZ2 4.13Å; R271-W274 HydrophobicContact CG-CZ3 4.29Å; R271-W274 PolarHBondContact O-N 3.29Å; A272-W274 PolarHBondContact O-N 2.87Å; A272-W274 VanDerWaalsContact O-N 3.16Å |
| 275 | F | 97.6 | Very high | 97 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 2% | 0.022 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -110.6 | 162.6 | 179.8 | -63.5 | -75.3 | 0 | 0 | 0 | 111.8 | K186 L188 Q189 H207 D210 R271 A272 L280 | K186-F275 PolarHBondContact NZ-O 2.93Å; L188-F275 HydrophobicContact CB-CD1 4.24Å; L188-F275 HydrophobicContact CB-CE1 3.72Å; L188-F275 HydrophobicContact CD1-CE1 3.8Å; L188-F275 HydrophobicContact CD1-CZ 3.8Å; L188-F275 HydrophobicContact CG-CE1 4.46Å; Q189-F275 HydrophobicContact CG-CD1 3.96Å; Q189-F275 HydrophobicContact CG-CE1 4.33Å; H207-F275 AromaticContact CE1-CE1 3.29Å; H207-F275 WeakPolarHBondContact CE1-CE1 3.17Å; H207-F275 AromaticContact CE1-CZ 3.54Å; H207-F275 AromaticContact ND1-CE1 3.99Å; H207-F275 AromaticContact NE2-CE1 3.65Å; H207-F275 AromaticContact NE2-CZ 3.62Å; D210-F275 HydrophobicContact CB-CE2 4.39Å; D210-F275 HydrophobicContact CB-CZ 4.34Å; R271-F275 WeakPolarHBondContact O-CD2 3.39Å; A272-F275 PolarHBondContact O-N 2.73Å; A272-F275 VanDerWaalsContact O-N 3.12Å; F275-L280 HydrophobicContact CD2-CD1 3.74Å; F275-L280 HydrophobicContact CE2-CD1 3.9Å |
| 276 | R | 95.7 | Very high | 96.9 | Very high | 93 Ų | 93 | 30.9 Ų | 30.9 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -90.1 | -20.8 | -174.5 | -67.8 | -179.6 | 58.7 | -164.4 | -5.2 | 113.6 | K186 L335 T336 W337 | K186-R276 HydrophobicContact CB-CG 3.9Å; K186-R276 WeakPolarHBondContact O-CD 2.99Å; K186-R276 WeakPolarHBondContact O-CG 3.32Å; R276-L335 HydrophobicContact CB-CD1 4.26Å; R276-T336 PolarHBondContact NH1-O 2.79Å; R276-T336 PolarHBondContact NH2-O 2.89Å; R276-W337 HydrophobicContact CB-CH2 4.46Å; R276-W337 HydrophobicContact CB-CZ3 4.19Å; R276-W337 HydrophobicContact CG-CZ3 4.49Å |
| 277 | T | 94.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 7% | 0.067 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -104.7 | 161.3 | -178.9 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | H279 L335 W337 | T277-H279 PolarHBondContact O-N 2.63Å; T277-H279 PolarHBondContact OG1-N 3.39Å; T277-H279 PolarHBondContact OG1-O 2.84Å; T277-H279 VanDerWaalsContact OG1-O 3.14Å; T277-L335 HydrophobicContact CG2-CD1 3.6Å; T277-W337 HydrophobicContact CG2-CH2 4.07Å; T277-W337 HydrophobicContact CG2-CZ2 4.41Å |
| 278 | N | 93.6 | Very high | 96.7 | Very high | 83 Ų | 83 | 29.2 Ų | 29.2 | 44% | 0.444 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -80.6 | 8.2 | 167.7 | -70.1 | -10.3 | 0 | 0 | 0 | 112.7 | Q26 | Q26-N278 PolarHBondContact N-O 2.76Š|
| 279 | H | 97.3 | Very high | 96.5 | Very high | 42 Ų | 42 | 29.6 Ų | 29.6 | 19% | 0.194 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.5 | 176.3 | -56.7 | -57.7 | 0 | 0 | 0 | 108.8 | Q26 F28 T277 V330 | Q26-H279 WeakPolarHBondContact O-CA 3.4Å; Q26-H279 PolarHBondContact OE1-CE1 2.66Å; Q26-H279 PolarHBondContact OE1-ND1 2.8Å; F28-H279 HydrophobicContact CD2-CB 4.39Å; F28-H279 HydrophobicContact CE2-CB 3.84Å; F28-H279 AromaticContact CE2-ND1 3.8Å; T277-H279 PolarHBondContact O-N 2.63Å; T277-H279 PolarHBondContact OG1-N 3.39Å; T277-H279 PolarHBondContact OG1-O 2.84Å; T277-H279 VanDerWaalsContact OG1-O 3.14Å; H279-V330 HydrophobicContact CB-CG2 4.49Å |
| 280 | L | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.8 | 179.6 | -179.6 | 69 | 0 | 0 | 0 | 110.6 | I25 Q26 T27 F28 I268 R271 A272 F275 | I25-L280 HydrophobicContact CG2-CB 4.09Å; Q26-L280 PolarHBondContact O-N 3.3Å; T27-L280 WeakPolarHBondContact CA-O 3.46Å; T27-L280 HydrophobicContact CG2-CD2 4.38Å; F28-L280 PolarHBondContact N-O 3.36Å; I268-L280 HydrophobicContact CB-CD2 4.02Å; I268-L280 HydrophobicContact CG1-CD2 4.14Å; I268-L280 HydrophobicContact CG2-CD2 3.71Å; I268-L280 WeakPolarHBondContact O-CD2 3.34Å; R271-L280 HydrophobicContact CB-CD1 3.81Å; R271-L280 HydrophobicContact CB-CD2 3.96Å; A272-L280 HydrophobicContact CB-CD2 4.43Å; F275-L280 HydrophobicContact CD2-CD1 3.74Å; F275-L280 HydrophobicContact CE2-CD1 3.9Å |
| 281 | L | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.3 | 162.8 | -176.6 | 157.2 | 0 | 0 | 0 | 108 | I30 W146 L170 M209 P283 L323 Y326 | I30-L281 HydrophobicContact CG1-CD1 4.44Å; I30-L281 HydrophobicContact CG1-CD2 4.34Å; I30-L281 HydrophobicContact CG1-CG 3.9Å; W146-L281 HydrophobicContact CH2-CD2 4.34Å; W146-L281 HydrophobicContact CZ3-CD1 4.26Å; W146-L281 HydrophobicContact CZ3-CD2 4.38Å; L170-L281 HydrophobicContact CD1-CD1 3.7Å; M209-L281 HydrophobicContact CE-CD2 4.07Å; L281-P283 HydrophobicContact CD2-CB 4.39Å; L281-L323 HydrophobicContact CD1-CD1 3.6Å; L281-Y326 HydrophobicContact CB-CD1 4.08Å; L281-Y326 HydrophobicContact CB-CD2 3.81Å; L281-Y326 HydrophobicContact CB-CE1 3.91Å; L281-Y326 HydrophobicContact CB-CE2 3.64Å; L281-Y326 HydrophobicContact CB-CG 4.02Å; L281-Y326 HydrophobicContact CD1-CD1 3.6Å; L281-Y326 HydrophobicContact CD1-CE1 3.77Å; L281-Y326 HydrophobicContact CD1-CG 4.09Å; L281-Y326 HydrophobicContact CG-CD1 4.36Å; L281-Y326 HydrophobicContact CG-CE1 4.48Å; L281-Y326 HydrophobicContact CG-CG 4.43Å |
| 282 | W | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 107.6 | 175.2 | -162.8 | 91.2 | 0 | 0 | 0 | 109.6 | T27 F28 V29 I30 T216 P217 F228 M264 N267 I268 W284 | T27-W282 HydrophobicContact CG2-CB 3.46Å; T27-W282 VanDerWaalsContact CG2-CB 3.46Å; T27-W282 HydrophobicContact CG2-CG 4.23Å; F28-W282 PolarHBondContact O-N 2.69Å; V29-W282 WeakPolarHBondContact CA-O 3.16Å; I30-W282 PolarHBondContact N-O 2.91Å; T216-W282 HydrophobicContact CG2-CH2 3.47Å; T216-W282 VanDerWaalsContact CG2-CH2 3.47Å; T216-W282 HydrophobicContact CG2-CZ2 4.44Å; T216-W282 HydrophobicContact CG2-CZ3 3.5Å; P217-W282 VanDerWaalsContact CD-CZ2 3.49Å; P217-W282 HydrophobicContact CG-CZ2 4.21Å; F228-W282 HydrophobicContact CD2-CH2 4.42Å; F228-W282 HydrophobicContact CG-CH2 4.49Å; M264-W282 HydrophobicContact CE-CD2 4.02Å; M264-W282 HydrophobicContact CE-CE3 3.88Å; M264-W282 HydrophobicContact CE-CH2 4.35Å; M264-W282 HydrophobicContact CE-CZ2 4.49Å; M264-W282 HydrophobicContact CE-CZ3 4.08Å; M264-W282 HydrophobicContact CG-CZ2 4.14Å; N267-W282 PolarHBondContact OD1-NE1 2.93Å; I268-W282 HydrophobicContact CG1-CG 4.33Å; W282-W284 HydrophobicContact CE3-CB 4.17Å; W282-W284 HydrophobicContact CE3-CD2 4.31Å; W282-W284 AromaticContact CE3-CE3 3.83Å; W282-W284 HydrophobicContact CE3-CE3 3.83Å; W282-W284 HydrophobicContact CH2-CD2 4.22Å; W282-W284 HydrophobicContact CH2-CE3 4.04Å; W282-W284 HydrophobicContact CH2-CZ3 4.31Å; W282-W284 HydrophobicContact CZ3-CB 3.84Å; W282-W284 AromaticContact CZ3-CD2 3.43Å; W282-W284 HydrophobicContact CZ3-CD2 3.43Å; W282-W284 VanDerWaalsContact CZ3-CD2 3.43Å; W282-W284 AromaticContact CZ3-CE3 3.21Å; W282-W284 HydrophobicContact CZ3-CE3 3.21Å; W282-W284 AromaticContact CZ3-CG 3.76Å; W282-W284 HydrophobicContact CZ3-CG 3.76Å; W282-W284 AromaticContact CZ3-CZ3 3.86Å; W282-W284 HydrophobicContact CZ3-CZ3 3.86Å; W282-W284 PolarHBondContact O-N 2.8Å |
| 283 | P | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.8 | -175.1 | 32.9 | -35.9 | 0 | 0 | 0 | 109.8 | W146 M209 Y214 T216 L281 | W146-P283 HydrophobicContact CH2-CB 4.14Å; W146-P283 HydrophobicContact CZ2-CB 4.47Å; M209-P283 HydrophobicContact CE-CB 4.01Å; M209-P283 HydrophobicContact CE-CG 3.7Å; Y214-P283 WeakPolarHBondContact O-CB 3.14Å; T216-P283 VanDerWaalsContact CG2-O 3.29Å; T216-P283 WeakPolarHBondContact CG2-O 3.17Å; L281-P283 HydrophobicContact CD2-CB 4.39Å |
| 284 | W | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 84.5 | 174 | -156.1 | -50.3 | 0 | 0 | 0 | 110.7 | V29 I30 P31 H32 T216 F228 W230 M264 W282 F290 M300 L303 | V29-W284 HydrophobicContact CG1-CB 3.83Å; V29-W284 HydrophobicContact CG1-CD2 4.17Å; V29-W284 HydrophobicContact CG1-CE3 3.48Å; V29-W284 VanDerWaalsContact CG1-CE3 3.48Å; V29-W284 HydrophobicContact CG1-CG 4.35Å; V29-W284 HydrophobicContact CG1-CZ3 4.39Å; V29-W284 HydrophobicContact CG2-CE3 4.39Å; I30-W284 PolarHBondContact O-N 3.43Å; P31-W284 VanDerWaalsContact CA-O 3.27Å; P31-W284 WeakPolarHBondContact CA-O 3.28Å; H32-W284 PolarHBondContact N-O 2.84Å; T216-W284 VanDerWaalsContact CG2-CA 3.49Å; T216-W284 HydrophobicContact CG2-CB 4.25Å; T216-W284 HydrophobicContact CG2-CD2 4.45Å; T216-W284 HydrophobicContact CG2-CG 3.95Å; F228-W284 HydrophobicContact CB-CZ2 4.03Å; F228-W284 AromaticContact CD1-CH2 3.78Å; F228-W284 HydrophobicContact CD1-CH2 3.78Å; F228-W284 AromaticContact CD1-CZ2 3.48Å; F228-W284 HydrophobicContact CD1-CZ2 3.48Å; F228-W284 VanDerWaalsContact CD1-CZ2 3.48Å; F228-W284 HydrophobicContact CE1-CH2 4.15Å; F228-W284 HydrophobicContact CE1-CZ2 4.3Å; F228-W284 HydrophobicContact CG-CZ2 4.1Å; W230-W284 HydrophobicContact CH2-CH2 4.27Å; W230-W284 AromaticContact CH2-CZ2 3.67Å; W230-W284 HydrophobicContact CH2-CZ2 3.67Å; W230-W284 HydrophobicContact CZ3-CH2 4.39Å; W230-W284 AromaticContact CZ3-CZ2 3.46Å; W230-W284 HydrophobicContact CZ3-CZ2 3.46Å; W230-W284 VanDerWaalsContact CZ3-CZ2 3.46Å; M264-W284 HydrophobicContact CE-CE3 3.96Å; M264-W284 HydrophobicContact CE-CH2 4.46Å; M264-W284 HydrophobicContact CE-CZ3 3.48Å; M264-W284 VanDerWaalsContact CE-CZ3 3.48Å; M264-W284 HydrophobicContact SD-CH2 4.04Å; M264-W284 HydrophobicContact SD-CZ3 3.59Å; M264-W284 VanDerWaalsContact SD-CZ3 3.59Å; W282-W284 HydrophobicContact CE3-CB 4.17Å; W282-W284 HydrophobicContact CE3-CD2 4.31Å; W282-W284 AromaticContact CE3-CE3 3.83Å; W282-W284 HydrophobicContact CE3-CE3 3.83Å; W282-W284 HydrophobicContact CH2-CD2 4.22Å; W282-W284 HydrophobicContact CH2-CE3 4.04Å; W282-W284 HydrophobicContact CH2-CZ3 4.31Å; W282-W284 HydrophobicContact CZ3-CB 3.84Å; W282-W284 AromaticContact CZ3-CD2 3.43Å; W282-W284 HydrophobicContact CZ3-CD2 3.43Å; W282-W284 VanDerWaalsContact CZ3-CD2 3.43Å; W282-W284 AromaticContact CZ3-CE3 3.21Å; W282-W284 HydrophobicContact CZ3-CE3 3.21Å; W282-W284 AromaticContact CZ3-CG 3.76Å; W282-W284 HydrophobicContact CZ3-CG 3.76Å; W282-W284 AromaticContact CZ3-CZ3 3.86Å; W282-W284 HydrophobicContact CZ3-CZ3 3.86Å; W282-W284 PolarHBondContact O-N 2.8Å; W284-F290 AromaticContact CD1-CE2 3.96Å; W284-F290 AromaticContact CD1-CZ 3.89Å; W284-F290 WeakPolarHBondContact O-CE2 3.3Å; W284-M300 HydrophobicContact CB-CE 4.29Å; W284-M300 HydrophobicContact CD2-CE 3.54Å; W284-M300 HydrophobicContact CD2-CG 4.32Å; W284-M300 HydrophobicContact CD2-SD 4.44Å; W284-M300 HydrophobicContact CE3-CE 4.03Å; W284-M300 HydrophobicContact CG-CE 3.63Å; W284-M300 HydrophobicContact CH2-CG 4.21Å; W284-M300 HydrophobicContact CZ2-CG 3.71Å; W284-L303 HydrophobicContact CH2-CD2 3.78Å |
| 285 | G | 95.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | trans | 176.5 | -174.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | H32 C215 T216 | H32-G285 WeakPolarHBondContact CE1-CA 3.49Å; H32-G285 PolarHBondContact CE1-N 2.71Å; H32-G285 VanDerWaalsContact O-CA 3.31Å; H32-G285 WeakPolarHBondContact O-CA 3.29Å; C215-G285 CarbonylContact C-O 3.54Å; C215-G285 VanDerWaalsContact CA-O 3.24Å; C215-G285 WeakPolarHBondContact CA-O 3.43Å; T216-G285 PolarHBondContact N-O 2.9Å | ||
| 286 | C | 95.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 22.1 Ų | 22.1 | 12% | 0.122 | 11% | 0.114 | C | C | . | . | trans | -175 | -168.8 | 167.2 | -159.9 | 0 | 0 | 0 | 0 | 106 | H34 C215 Y229 K288 Q289 | H34-C286 PolarHBondContact N-O 3.47Å; C215-C286 HydrophobicContact CB-CB 3.7Å; C215-C286 WeakPolarHBondContact CB-SG 3.4Å; C215-C286 VanDerWaalsContact SG-CA 3.51Å; C215-C286 WeakPolarHBondContact SG-CB 3.47Å; C215-C286 CovalentContact SG-SG 2.05Å; C215-C286 PolarHBondContact SG-SG 3.44Å; Y229-C286 HydrophobicContact CE1-CB 3.85Å; Y229-C286 VanDerWaalsContact OH-CB 3.26Å; Y229-C286 WeakPolarHBondContact OH-CB 3.39Å; Y229-C286 PolarHBondContact OH-SG 3.45Å; Y229-C286 VanDerWaalsContact OH-SG 3.41Å; C286-K288 PolarHBondContact O-N 3.23Å; C286-Q289 HydrophobicContact CB-CG 3.87Å; C286-Q289 PolarHBondContact O-N 2.99Å | ||
| 287 | D | 95 | Very high | 96.2 | Very high | 44 Ų | 44 | 17.7 Ų | 17.7 | 24% | 0.235 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -53.8 | 128.5 | 173.8 | -53.9 | 1.3 | 0 | 0 | 0 | 111 | H34 Y214 Q289 | H34-D287 IonicContact CD2-OD1 3.95Å; Y214-D287 WeakPolarHBondContact CE2-OD1 3.39Å; Y214-D287 PolarHBondContact OH-OD1 3.5Å; D287-Q289 PolarHBondContact O-N 2.91Å; D287-Q289 VanDerWaalsContact O-N 3.13Å; D287-Q289 PolarHBondContact O-NE2 3.43Å |
| 288 | K | 93.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 25 Ų | 25 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 34.8 | 170.8 | -44.2 | 176.8 | -174.9 | 161.2 | 0 | 112.9 | H34 Y50 A234 F236 C286 F291 | H34-K288 PolarHBondContact O-N 3.34Å; Y50-K288 HydrophobicContact CD1-CB 4.49Å; Y50-K288 HydrophobicContact CD1-CD 4.35Å; Y50-K288 HydrophobicContact CD1-CG 4.39Å; Y50-K288 HydrophobicContact CD2-CB 3.92Å; Y50-K288 HydrophobicContact CD2-CG 4.34Å; Y50-K288 HydrophobicContact CE1-CB 4.41Å; Y50-K288 HydrophobicContact CE1-CD 3.93Å; Y50-K288 HydrophobicContact CE1-CG 3.88Å; Y50-K288 HydrophobicContact CE2-CB 3.82Å; Y50-K288 HydrophobicContact CE2-CG 3.82Å; Y50-K288 HydrophobicContact CG-CB 4.27Å; A234-K288 HydrophobicContact CB-CB 4.29Å; F236-K288 HydrophobicContact CE2-CD 4.11Å; F236-K288 HydrophobicContact CZ-CD 4.25Å; C286-K288 PolarHBondContact O-N 3.23Å; K288-F291 WeakPolarHBondContact O-CD1 3.34Å; K288-F291 WeakPolarHBondContact O-CE1 3.37Å |
| 289 | Q | 94.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | trans | -89.7 | 171.6 | 174.3 | -64.5 | -53.7 | -55.5 | 0 | 0 | 111.6 | S33 V54 Y229 N231 C286 D287 F291 | S33-Q289 VanDerWaalsContact CB-O 3.23Å; S33-Q289 WeakPolarHBondContact CB-O 3.46Å; S33-Q289 PolarHBondContact OG-N 3.2Å; S33-Q289 PolarHBondContact OG-O 2.72Å; V54-Q289 WeakPolarHBondContact CG2-O 3.45Å; Y229-Q289 HydrophobicContact CD1-CG 3.86Å; Y229-Q289 HydrophobicContact CE1-CG 3.84Å; N231-Q289 PolarHBondContact OD1-OE1 3.08Å; C286-Q289 HydrophobicContact CB-CG 3.87Å; C286-Q289 PolarHBondContact O-N 2.99Å; D287-Q289 PolarHBondContact O-N 2.91Å; D287-Q289 VanDerWaalsContact O-N 3.13Å; D287-Q289 PolarHBondContact O-NE2 3.43Å; Q289-F291 PolarHBondContact O-N 2.94Å; Q289-F291 VanDerWaalsContact O-N 3.08Å | ||
| 290 | F | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | 63.6 | 8.9 | 177.6 | -74 | -99.9 | 0 | 0 | 0 | 116.9 | P31 H32 V54 S57 V58 F70 N231 W284 N292 S293 Q296 F297 M300 | P31-F290 HydrophobicContact CB-CE1 4.04Å; P31-F290 HydrophobicContact CB-CZ 3.84Å; H32-F290 VanDerWaalsContact O-CD2 3.26Å; H32-F290 WeakPolarHBondContact O-CD2 3.27Å; V54-F290 HydrophobicContact CG1-CB 4.42Å; S57-F290 PolarHBondContact OG-O 3.07Å; V58-F290 HydrophobicContact CG2-CB 4.49Å; F70-F290 HydrophobicContact CD2-CD1 4.22Å; F70-F290 HydrophobicContact CD2-CE1 4.48Å; F70-F290 HydrophobicContact CE2-CB 3.93Å; F70-F290 AromaticContact CE2-CD1 3.73Å; F70-F290 HydrophobicContact CE2-CD1 3.73Å; F70-F290 HydrophobicContact CE2-CD2 4.13Å; F70-F290 HydrophobicContact CE2-CE1 4.27Å; F70-F290 AromaticContact CE2-CG 3.66Å; F70-F290 HydrophobicContact CE2-CG 3.66Å; F70-F290 HydrophobicContact CZ-CB 4.26Å; F70-F290 HydrophobicContact CZ-CG 4.42Å; N231-F290 PolarHBondContact ND2-N 2.84Å; W284-F290 AromaticContact CD1-CE2 3.96Å; W284-F290 AromaticContact CD1-CZ 3.89Å; W284-F290 WeakPolarHBondContact O-CE2 3.3Å; F290-N292 PolarHBondContact O-N 3.33Å; F290-N292 VanDerWaalsContact O-N 3.14Å; F290-S293 PolarHBondContact O-N 3.42Å; F290-S293 PolarHBondContact O-OG 3.23Å; F290-Q296 HydrophobicContact CD1-CB 4.17Å; F290-Q296 HydrophobicContact CD1-CG 4.34Å; F290-Q296 HydrophobicContact CE1-CB 3.99Å; F290-Q296 HydrophobicContact CE1-CG 4.44Å; F290-Q296 HydrophobicContact CG-CG 4.43Å; F290-Q296 HydrophobicContact CZ-CB 4.41Å; F290-F297 HydrophobicContact CD1-CE2 4.3Å; F290-F297 HydrophobicContact CD1-CZ 4.44Å; F290-F297 HydrophobicContact CE1-CE1 4.25Å; F290-F297 HydrophobicContact CE1-CE2 4.13Å; F290-F297 AromaticContact CE1-CZ 3.92Å; F290-F297 HydrophobicContact CE1-CZ 3.92Å; F290-M300 HydrophobicContact CE1-CE 4.4Å; F290-M300 HydrophobicContact CE1-SD 3.95Å; F290-M300 HydrophobicContact CZ-CE 3.95Å; F290-M300 HydrophobicContact CZ-SD 3.78Å | ||
| 291 | F | 94.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 21 Ų | 21 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.9 | 173.4 | 63.6 | -103.2 | 0 | 0 | 0 | 113 | N53 V54 S57 N231 A234 Y245 K288 Q289 | N53-F291 CarbonylContact C-O 3.56Å; N53-F291 HydrophobicContact CB-CB 4.23Å; N53-F291 WeakPolarHBondContact CB-O 3.45Å; V54-F291 HydrophobicContact CG2-CB 3.93Å; S57-F291 PolarHBondContact OG-O 3.02Å; N231-F291 HydrophobicContact CB-CE1 4.5Å; N231-F291 HydrophobicContact CB-CE2 4.1Å; N231-F291 HydrophobicContact CB-CZ 4.09Å; N231-F291 WeakPolarHBondContact ND2-CD1 3.47Å; N231-F291 WeakPolarHBondContact ND2-CE1 3.15Å; N231-F291 WeakPolarHBondContact ND2-CZ 3.32Å; N231-F291 WeakPolarHBondContact O-CE2 3.35Å; N231-F291 WeakPolarHBondContact O-CZ 3.38Å; A234-F291 HydrophobicContact CB-CD1 4.04Å; A234-F291 HydrophobicContact CB-CE1 3.82Å; A234-F291 HydrophobicContact CB-CZ 4.48Å; Y245-F291 AromaticContact CD1-CE2 3.89Å; Y245-F291 HydrophobicContact CD1-CE2 3.89Å; Y245-F291 AromaticContact CD1-CZ 3.74Å; Y245-F291 HydrophobicContact CD1-CZ 3.74Å; Y245-F291 AromaticContact CD2-CE2 3.72Å; Y245-F291 HydrophobicContact CD2-CE2 3.72Å; Y245-F291 HydrophobicContact CD2-CZ 4.17Å; Y245-F291 HydrophobicContact CE1-CD2 4.42Å; Y245-F291 AromaticContact CE1-CE2 3.61Å; Y245-F291 HydrophobicContact CE1-CE2 3.61Å; Y245-F291 AromaticContact CE1-CZ 3.82Å; Y245-F291 HydrophobicContact CE1-CZ 3.82Å; Y245-F291 HydrophobicContact CE2-CD2 4.28Å; Y245-F291 AromaticContact CE2-CE2 3.48Å; Y245-F291 HydrophobicContact CE2-CE2 3.48Å; Y245-F291 VanDerWaalsContact CE2-CE2 3.48Å; Y245-F291 HydrophobicContact CE2-CZ 4.28Å; Y245-F291 AromaticContact CG-CE2 3.89Å; Y245-F291 HydrophobicContact CG-CE2 3.89Å; Y245-F291 AromaticContact CG-CZ 3.87Å; Y245-F291 HydrophobicContact CG-CZ 3.87Å; Y245-F291 AromaticContact CZ-CD2 3.99Å; Y245-F291 AromaticContact CZ-CE2 3.37Å; K288-F291 WeakPolarHBondContact O-CD1 3.34Å; K288-F291 WeakPolarHBondContact O-CE1 3.37Å; Q289-F291 PolarHBondContact O-N 2.94Å; Q289-F291 VanDerWaalsContact O-N 3.08Å |
| 292 | N | 95.5 | Very high | 96.5 | Very high | 50 Ų | 50 | 23.5 Ų | 23.5 | 27% | 0.267 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 80.2 | 162.9 | -171.7 | -21.3 | 0 | 0 | 0 | 109.2 | N231 F290 S294 V295 Q296 | N231-N292 HydrophobicContact CB-CB 3.89Å; F290-N292 PolarHBondContact O-N 3.33Å; F290-N292 VanDerWaalsContact O-N 3.14Å; N292-S294 PolarHBondContact O-N 3.02Å; N292-S294 PolarHBondContact OD1-N 3.19Å; N292-V295 PolarHBondContact O-N 2.86Å; N292-V295 PolarHBondContact OD1-N 2.73Å; N292-Q296 PolarHBondContact O-N 2.73Å |
| 293 | S | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -26.7 | -178.6 | -70.5 | 0 | 0 | 0 | 0 | 113.1 | S57 V58 F290 V295 Q296 F297 | S57-S293 WeakPolarHBondContact OG-CB 3.49Å; S57-S293 PolarHBondContact OG-N 2.95Å; S57-S293 VanDerWaalsContact OG-N 3.08Å; S57-S293 PolarHBondContact OG-OG 3.15Å; V58-S293 WeakPolarHBondContact CG2-OG 3.23Å; F290-S293 PolarHBondContact O-N 3.42Å; F290-S293 PolarHBondContact O-OG 3.23Å; S293-V295 PolarHBondContact O-N 3.5Å; S293-Q296 PolarHBondContact O-N 3.19Å; S293-F297 WeakPolarHBondContact O-CB 3.23Å; S293-F297 VanDerWaalsContact O-CD2 3.24Å; S293-F297 WeakPolarHBondContact O-CD2 3.34Å; S293-F297 PolarHBondContact O-N 3.29Å |
| 294 | S | 96.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 23.9 Ų | 23.9 | 34% | 0.336 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 179.1 | -160.1 | 0 | 0 | 0 | 0 | 111.4 | E61 N292 R298 | E61-S294 VanDerWaalsContact CD-CA 3.46Å; E61-S294 VanDerWaalsContact OE1-CB 3.24Å; E61-S294 WeakPolarHBondContact OE1-CB 3.06Å; E61-S294 PolarHBondContact OE1-OG 2.82Å; N292-S294 PolarHBondContact O-N 3.02Å; N292-S294 PolarHBondContact OD1-N 3.19Å; S294-R298 WeakPolarHBondContact O-CB 3.48Å; S294-R298 PolarHBondContact O-N 2.91Å |
| 295 | V | 95.5 | Very high | 96.6 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.6 | -38.6 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | W230 M248 N292 S293 N299 | W230-V295 HydrophobicContact CB-CG1 3.79Å; W230-V295 VanDerWaalsContact O-CG1 3.27Å; W230-V295 WeakPolarHBondContact O-CG1 3.17Å; M248-V295 HydrophobicContact CE-CG1 4.4Å; N292-V295 PolarHBondContact O-N 2.86Å; N292-V295 PolarHBondContact OD1-N 2.73Å; S293-V295 PolarHBondContact O-N 3.5Å; V295-N299 PolarHBondContact O-ND2 3.46Å |
| 296 | Q | 96.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -59.4 | 176 | -72.3 | -69.6 | 60.5 | 0 | 0 | 111.1 | F228 W230 N231 F290 N292 S293 R298 N299 M300 | F228-Q296 PolarHBondContact O-NE2 2.95Å; W230-Q296 VanDerWaalsContact CE3-OE1 3.22Å; N231-Q296 HydrophobicContact CB-CG 4.13Å; N231-Q296 VanDerWaalsContact OD1-CG 3.25Å; N231-Q296 WeakPolarHBondContact OD1-CG 3.23Å; N231-Q296 PolarHBondContact OD1-NE2 3.12Å; F290-Q296 HydrophobicContact CD1-CB 4.17Å; F290-Q296 HydrophobicContact CD1-CG 4.34Å; F290-Q296 HydrophobicContact CE1-CB 3.99Å; F290-Q296 HydrophobicContact CE1-CG 4.44Å; F290-Q296 HydrophobicContact CG-CG 4.43Å; F290-Q296 HydrophobicContact CZ-CB 4.41Å; N292-Q296 PolarHBondContact O-N 2.73Å; S293-Q296 PolarHBondContact O-N 3.19Å; Q296-R298 VanDerWaalsContact C-N 3.32Å; Q296-R298 PolarHBondContact O-N 2.87Å; Q296-N299 PolarHBondContact O-N 3.19Å; Q296-M300 HydrophobicContact CB-SD 4.1Å; Q296-M300 VanDerWaalsContact O-CG 3.24Å; Q296-M300 WeakPolarHBondContact O-CG 3.34Å; Q296-M300 PolarHBondContact O-N 3.24Å |
| 297 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -34.7 | -175.6 | -74.4 | -62.9 | 0 | 0 | 0 | 113.4 | P31 E61 L62 R68 F290 S293 N299 M300 D301 Y320 | P31-F297 HydrophobicContact CG-CE1 4.41Å; E61-F297 HydrophobicContact CB-CD2 3.67Å; E61-F297 HydrophobicContact CB-CE2 4.11Å; E61-F297 HydrophobicContact CG-CD2 4.25Å; L62-F297 HydrophobicContact CD1-CE2 3.69Å; L62-F297 HydrophobicContact CD1-CZ 3.72Å; R68-F297 HydrophobicContact CB-CD1 4.4Å; R68-F297 HydrophobicContact CB-CE1 4.01Å; R68-F297 HydrophobicContact CB-CZ 4.27Å; R68-F297 HydrophobicContact CG-CD1 3.78Å; R68-F297 HydrophobicContact CG-CE1 3.89Å; R68-F297 HydrophobicContact CG-CG 4.29Å; R68-F297 HydrophobicContact CG-CZ 4.49Å; F290-F297 HydrophobicContact CD1-CE2 4.3Å; F290-F297 HydrophobicContact CD1-CZ 4.44Å; F290-F297 HydrophobicContact CE1-CE1 4.25Å; F290-F297 HydrophobicContact CE1-CE2 4.13Å; F290-F297 AromaticContact CE1-CZ 3.92Å; F290-F297 HydrophobicContact CE1-CZ 3.92Å; S293-F297 WeakPolarHBondContact O-CB 3.23Å; S293-F297 VanDerWaalsContact O-CD2 3.24Å; S293-F297 WeakPolarHBondContact O-CD2 3.34Å; S293-F297 PolarHBondContact O-N 3.29Å; F297-N299 PolarHBondContact O-N 2.9Å; F297-N299 VanDerWaalsContact O-N 3.16Å; F297-M300 HydrophobicContact CD1-CE 4.33Å; F297-M300 HydrophobicContact CD1-SD 3.91Å; F297-M300 HydrophobicContact CE1-CE 4.27Å; F297-M300 HydrophobicContact CE1-SD 4.29Å; F297-M300 PolarHBondContact O-N 3.06Å; F297-D301 WeakPolarHBondContact O-CB 3.48Å; F297-D301 PolarHBondContact O-N 3.12Å; F297-Y320 HydrophobicContact CD1-CE1 4.03Å; F297-Y320 AromaticContact CD1-CZ 3.93Å; F297-Y320 WeakPolarHBondContact CD1-OH 3.35Å; F297-Y320 HydrophobicContact CE1-CD1 4.49Å; F297-Y320 AromaticContact CE1-CE1 3.74Å; F297-Y320 HydrophobicContact CE1-CE1 3.74Å |
| 298 | R | 97.2 | Very high | 97.1 | Very high | 163 Ų | 163 | 30 Ų | 30 | 62% | 0.615 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -58.3 | -28.5 | 175.4 | -174.4 | 179.7 | 71.5 | -177.6 | 0.5 | 113.1 | S294 Q296 P302 | S294-R298 WeakPolarHBondContact O-CB 3.48Å; S294-R298 PolarHBondContact O-N 2.91Å; Q296-R298 VanDerWaalsContact C-N 3.32Å; Q296-R298 PolarHBondContact O-N 2.87Å; R298-P302 WeakPolarHBondContact O-CD 3.46Å; R298-P302 VanDerWaalsContact O-CG 3.32Å; R298-P302 WeakPolarHBondContact O-CG 3.26Å |
| 299 | N | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -93 | -35.6 | 176.4 | -72.3 | -77 | 0 | 0 | 0 | 112.3 | W230 P251 V252 V295 Q296 F297 P302 L303 | W230-N299 HydrophobicContact CD2-CB 3.34Å; W230-N299 HydrophobicContact CE3-CB 3.5Å; W230-N299 HydrophobicContact CG-CB 3.78Å; W230-N299 HydrophobicContact CH2-CB 4.07Å; W230-N299 HydrophobicContact CZ2-CB 3.94Å; W230-N299 HydrophobicContact CZ3-CB 3.85Å; P251-N299 WeakPolarHBondContact CA-OD1 3.49Å; V252-N299 HydrophobicContact CB-CB 4.25Å; V252-N299 HydrophobicContact CG2-CB 3.85Å; V252-N299 WeakPolarHBondContact CG2-O 3.37Å; V252-N299 PolarHBondContact N-OD1 2.59Å; V295-N299 PolarHBondContact O-ND2 3.46Å; Q296-N299 PolarHBondContact O-N 3.19Å; F297-N299 PolarHBondContact O-N 2.9Å; F297-N299 VanDerWaalsContact O-N 3.16Å; N299-P302 WeakPolarHBondContact O-CD 3.17Å; N299-P302 WeakPolarHBondContact O-CG 3.36Å; N299-L303 WeakPolarHBondContact O-CB 3.42Å; N299-L303 PolarHBondContact O-N 3.21Å |
| 300 | M | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 178 | -64.6 | 163.8 | 74.6 | 0 | 0 | 112.3 | P31 W230 W284 F290 Q296 F297 L303 M304 Y320 | P31-M300 HydrophobicContact CG-CE 4.09Å; W230-M300 HydrophobicContact CE3-CG 4.49Å; W230-M300 HydrophobicContact CZ3-CG 3.83Å; W284-M300 HydrophobicContact CB-CE 4.29Å; W284-M300 HydrophobicContact CD2-CE 3.54Å; W284-M300 HydrophobicContact CD2-CG 4.32Å; W284-M300 HydrophobicContact CD2-SD 4.44Å; W284-M300 HydrophobicContact CE3-CE 4.03Å; W284-M300 HydrophobicContact CG-CE 3.63Å; W284-M300 HydrophobicContact CH2-CG 4.21Å; W284-M300 HydrophobicContact CZ2-CG 3.71Å; F290-M300 HydrophobicContact CE1-CE 4.4Å; F290-M300 HydrophobicContact CE1-SD 3.95Å; F290-M300 HydrophobicContact CZ-CE 3.95Å; F290-M300 HydrophobicContact CZ-SD 3.78Å; Q296-M300 HydrophobicContact CB-SD 4.1Å; Q296-M300 VanDerWaalsContact O-CG 3.24Å; Q296-M300 WeakPolarHBondContact O-CG 3.34Å; Q296-M300 PolarHBondContact O-N 3.24Å; F297-M300 HydrophobicContact CD1-CE 4.33Å; F297-M300 HydrophobicContact CD1-SD 3.91Å; F297-M300 HydrophobicContact CE1-CE 4.27Å; F297-M300 HydrophobicContact CE1-SD 4.29Å; F297-M300 PolarHBondContact O-N 3.06Å; M300-L303 PolarHBondContact O-N 2.85Å; M300-M304 WeakPolarHBondContact O-CB 3.41Å; M300-M304 WeakPolarHBondContact O-CG 3.49Å; M300-M304 PolarHBondContact O-N 2.9Å; M300-Y320 WeakPolarHBondContact CB-OH 3.42Å; M300-Y320 HydrophobicContact CE-CE1 3.54Å |
| 301 | D | 98.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 19% | 0.193 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -52.9 | -175.6 | -64.9 | -16.4 | 0 | 0 | 0 | 113.6 | R68 F297 L303 T305 Y320 | R68-D301 IonicContact CZ-OD2 3.8Å; R68-D301 VanDerWaalsContact CZ-OD2 3.29Å; R68-D301 IonicContact NE-OD1 3.63Å; R68-D301 IonicContact NE-OD2 2.77Å; R68-D301 PolarHBondContact NE-OD2 2.8Å; R68-D301 VanDerWaalsContact NE-OD2 3.09Å; R68-D301 IonicContact NH2-OD2 3.13Å; R68-D301 PolarHBondContact NH2-OD2 2.85Å; F297-D301 WeakPolarHBondContact O-CB 3.48Å; F297-D301 PolarHBondContact O-N 3.12Å; D301-L303 VanDerWaalsContact C-N 3.33Å; D301-L303 PolarHBondContact O-N 3.39Å; D301-T305 WeakPolarHBondContact O-CB 3.43Å; D301-T305 PolarHBondContact O-N 3.36Å; D301-T305 PolarHBondContact O-OG1 2.65Å; D301-Y320 WeakPolarHBondContact OD1-CE2 3.35Å; D301-Y320 PolarHBondContact OD1-OH 3.21Å |
| 302 | P | 98.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.7 | -33.6 | 177.6 | 25.3 | -34.3 | 0 | 0 | 0 | 112.7 | V252 R298 N299 Y306 | V252-P302 HydrophobicContact CB-CG 4.47Å; V252-P302 HydrophobicContact CG1-CB 4.43Å; V252-P302 HydrophobicContact CG1-CG 4.07Å; R298-P302 WeakPolarHBondContact O-CD 3.46Å; R298-P302 VanDerWaalsContact O-CG 3.32Å; R298-P302 WeakPolarHBondContact O-CG 3.26Å; N299-P302 WeakPolarHBondContact O-CD 3.17Å; N299-P302 WeakPolarHBondContact O-CG 3.36Å; P302-Y306 VanDerWaalsContact O-CB 3.29Å; P302-Y306 WeakPolarHBondContact O-CB 3.4Å; P302-Y306 PolarHBondContact O-N 3.08Å |
| 303 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 177.3 | 172.5 | 57.3 | 0 | 0 | 0 | 111.7 | F228 W230 V252 V257 A261 W284 N299 M300 D301 T305 Y306 I307 | F228-L303 HydrophobicContact CD1-CD2 4.42Å; F228-L303 HydrophobicContact CE1-CD2 3.99Å; W230-L303 HydrophobicContact CH2-CD2 4.01Å; V252-L303 HydrophobicContact CG1-CB 4.25Å; V252-L303 HydrophobicContact CG2-CB 4.37Å; V257-L303 HydrophobicContact CG2-CD1 4.36Å; A261-L303 HydrophobicContact CB-CD1 3.86Å; W284-L303 HydrophobicContact CH2-CD2 3.78Å; N299-L303 WeakPolarHBondContact O-CB 3.42Å; N299-L303 PolarHBondContact O-N 3.21Å; M300-L303 PolarHBondContact O-N 2.85Å; D301-L303 VanDerWaalsContact C-N 3.33Å; D301-L303 PolarHBondContact O-N 3.39Å; L303-T305 VanDerWaalsContact C-N 3.31Å; L303-T305 PolarHBondContact O-N 2.94Å; L303-Y306 PolarHBondContact O-N 3.27Å; L303-I307 HydrophobicContact CD1-CD1 4.01Å; L303-I307 HydrophobicContact CD1-CG1 4.3Å; L303-I307 HydrophobicContact CG-CD1 4.2Å; L303-I307 WeakPolarHBondContact O-CG1 3.26Å; L303-I307 PolarHBondContact O-N 3.42Å |
| 304 | M | 98.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 4% | 0.044 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 177.5 | -69.5 | 179.4 | 67.5 | 0 | 0 | 111.6 | V29 M300 I307 N308 V318 Q319 Y320 | V29-M304 HydrophobicContact CB-CE 4.07Å; V29-M304 HydrophobicContact CG1-CE 4.44Å; V29-M304 HydrophobicContact CG1-SD 4.4Å; V29-M304 HydrophobicContact CG2-CE 3.97Å; M300-M304 WeakPolarHBondContact O-CB 3.41Å; M300-M304 WeakPolarHBondContact O-CG 3.49Å; M300-M304 PolarHBondContact O-N 2.9Å; M304-I307 PolarHBondContact O-N 3.42Å; M304-N308 PolarHBondContact O-N 3.47Å; M304-N308 PolarHBondContact O-ND2 3.02Å; M304-V318 HydrophobicContact CB-CG2 3.83Å; M304-V318 HydrophobicContact CE-CB 4.28Å; M304-V318 HydrophobicContact CE-CG2 4.23Å; M304-V318 HydrophobicContact CG-CG2 4Å; M304-Q319 VanDerWaalsContact CE-C 3.47Å; M304-Y320 HydrophobicContact CE-CD1 4.19Å; M304-Y320 HydrophobicContact CE-CD2 3.96Å; M304-Y320 HydrophobicContact CE-CE1 4.36Å; M304-Y320 HydrophobicContact CE-CE2 4.14Å; M304-Y320 HydrophobicContact CE-CG 3.98Å; M304-Y320 HydrophobicContact SD-CD1 4.08Å; M304-Y320 HydrophobicContact SD-CD2 4.11Å; M304-Y320 HydrophobicContact SD-CE1 3.65Å; M304-Y320 HydrophobicContact SD-CE2 3.68Å; M304-Y320 HydrophobicContact SD-CG 4.29Å |
| 305 | T | 98.3 | Very high | 97.3 | Very high | 72 Ų | 72 | 50.9 Ų | 50.9 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | D301 L303 N308 Q309 | D301-T305 WeakPolarHBondContact O-CB 3.43Å; D301-T305 PolarHBondContact O-N 3.36Å; D301-T305 PolarHBondContact O-OG1 2.65Å; L303-T305 VanDerWaalsContact C-N 3.31Å; L303-T305 PolarHBondContact O-N 2.94Å; T305-N308 PolarHBondContact O-N 2.88Å; T305-Q309 HydrophobicContact CG2-CG 4.42Å; T305-Q309 WeakPolarHBondContact O-CB 3.24Å; T305-Q309 WeakPolarHBondContact O-CG 3.49Å; T305-Q309 PolarHBondContact O-N 3.31Å |
| 306 | Y | 98.6 | Very high | 97.4 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 179.3 | -176.9 | -91.5 | 0 | 0 | 0 | 112.2 | V257 H258 A261 P302 L303 N308 Q309 N310 F314 | V257-Y306 HydrophobicContact CG1-CD2 4.04Å; V257-Y306 HydrophobicContact CG1-CE2 4.06Å; V257-Y306 HydrophobicContact CG1-CG 4.31Å; V257-Y306 HydrophobicContact CG2-CD1 3.87Å; V257-Y306 HydrophobicContact CG2-CD2 4.06Å; V257-Y306 HydrophobicContact CG2-CG 3.57Å; H258-Y306 HydrophobicContact CB-CE1 4.25Å; H258-Y306 PolarHBondContact ND1-OH 2.92Å; A261-Y306 HydrophobicContact CB-CD1 3.66Å; A261-Y306 HydrophobicContact CB-CE1 3.91Å; P302-Y306 VanDerWaalsContact O-CB 3.29Å; P302-Y306 WeakPolarHBondContact O-CB 3.4Å; P302-Y306 PolarHBondContact O-N 3.08Å; L303-Y306 PolarHBondContact O-N 3.27Å; Y306-N308 PolarHBondContact O-N 2.81Å; Y306-Q309 PolarHBondContact O-N 3.25Å; Y306-N310 PolarHBondContact O-N 2.95Å; Y306-N310 VanDerWaalsContact O-N 3.09Å; Y306-N310 PolarHBondContact O-ND2 3.2Å; Y306-F314 HydrophobicContact CD1-CE2 4.05Å; Y306-F314 HydrophobicContact CD1-CZ 4.49Å; Y306-F314 AromaticContact CE1-CE2 3.73Å; Y306-F314 HydrophobicContact CE1-CE2 3.73Å; Y306-F314 AromaticContact CE1-CZ 3.87Å; Y306-F314 HydrophobicContact CE1-CZ 3.87Å |
| 307 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.4 | -69.3 | 166 | 0 | 0 | 0 | 110.5 | A261 M264 L303 M304 N310 S311 V316 V318 | A261-I307 HydrophobicContact CB-CD1 4.33Å; A261-I307 HydrophobicContact CB-CG1 3.63Å; M264-I307 HydrophobicContact CB-CD1 4.31Å; M264-I307 HydrophobicContact CG-CD1 4.34Å; M264-I307 HydrophobicContact SD-CD1 3.58Å; M264-I307 VanDerWaalsContact SD-CD1 3.58Å; L303-I307 HydrophobicContact CD1-CD1 4.01Å; L303-I307 HydrophobicContact CD1-CG1 4.3Å; L303-I307 HydrophobicContact CG-CD1 4.2Å; L303-I307 WeakPolarHBondContact O-CG1 3.26Å; L303-I307 PolarHBondContact O-N 3.42Å; M304-I307 PolarHBondContact O-N 3.42Å; I307-N310 CarbonylContact O-C 3.54Å; I307-N310 PolarHBondContact O-N 3.4Å; I307-S311 WeakPolarHBondContact O-CA 3.46Å; I307-S311 PolarHBondContact O-N 3.22Å; I307-V316 HydrophobicContact CG2-CG2 3.72Å; I307-V318 HydrophobicContact CB-CG2 3.99Å; I307-V318 HydrophobicContact CD1-CG1 4.43Å; I307-V318 HydrophobicContact CD1-CG2 4.38Å; I307-V318 HydrophobicContact CG2-CG1 4.01Å; I307-V318 HydrophobicContact CG2-CG2 3.9Å |
| 308 | N | 98.1 | Very high | 97.5 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | -178.2 | -74.9 | -27 | 0 | 0 | 0 | 113.1 | M304 T305 Y306 N310 S311 T317 V318 | M304-N308 PolarHBondContact O-N 3.47Å; M304-N308 PolarHBondContact O-ND2 3.02Å; T305-N308 PolarHBondContact O-N 2.88Å; Y306-N308 PolarHBondContact O-N 2.81Å; N308-N310 PolarHBondContact O-N 3.44Å; N308-S311 VanDerWaalsContact O-CB 3.3Å; N308-S311 WeakPolarHBondContact O-CB 3.29Å; N308-S311 PolarHBondContact O-N 2.97Å; N308-S311 PolarHBondContact O-OG 3.33Å; N308-T317 WeakPolarHBondContact OD1-CA 3.27Å; N308-V318 PolarHBondContact ND2-O 2.88Å; N308-V318 PolarHBondContact OD1-N 3.26Å; N308-V318 PolarHBondContact OD1-O 3.24Å |
| 309 | Q | 97.9 | Very high | 97.5 | Very high | 146 Ų | 146 | 47.8 Ų | 47.8 | 68% | 0.682 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.7 | -31.3 | 174.7 | -74.1 | 174.6 | -8.2 | 0 | 0 | 112.4 | T305 Y306 | T305-Q309 HydrophobicContact CG2-CG 4.42Å; T305-Q309 WeakPolarHBondContact O-CB 3.24Å; T305-Q309 WeakPolarHBondContact O-CG 3.49Å; T305-Q309 PolarHBondContact O-N 3.31Å; Y306-Q309 PolarHBondContact O-N 3.25Å |
| 310 | N | 97.5 | Very high | 97.6 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 27.5 | 178.3 | -58.1 | -73.9 | 0 | 0 | 0 | 111.9 | Y306 I307 N308 K312 E313 F314 | Y306-N310 PolarHBondContact O-N 2.95Å; Y306-N310 VanDerWaalsContact O-N 3.09Å; Y306-N310 PolarHBondContact O-ND2 3.2Å; I307-N310 CarbonylContact O-C 3.54Å; I307-N310 PolarHBondContact O-N 3.4Å; N308-N310 PolarHBondContact O-N 3.44Å; N310-K312 PolarHBondContact O-N 3.12Å; N310-K312 VanDerWaalsContact O-N 3.13Å; N310-E313 HydrophobicContact CB-CB 4.45Å; N310-E313 WeakPolarHBondContact O-CB 3.31Å; N310-E313 PolarHBondContact O-N 2.9Å; N310-F314 HydrophobicContact CB-CD2 3.75Å; N310-F314 HydrophobicContact CB-CE2 3.64Å; N310-F314 WeakPolarHBondContact O-CD2 3.47Å; N310-F314 PolarHBondContact O-N 3.3Å |
| 311 | S | 96.1 | Very high | 97.6 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -27.8 | -173.6 | 48.4 | 0 | 0 | 0 | 0 | 113.8 | I307 N308 G315 V316 | I307-S311 WeakPolarHBondContact O-CA 3.46Å; I307-S311 PolarHBondContact O-N 3.22Å; N308-S311 VanDerWaalsContact O-CB 3.3Å; N308-S311 WeakPolarHBondContact O-CB 3.29Å; N308-S311 PolarHBondContact O-N 2.97Å; N308-S311 PolarHBondContact O-OG 3.33Å; S311-G315 VanDerWaalsContact O-CA 3.27Å; S311-G315 WeakPolarHBondContact O-CA 3.41Å; S311-G315 PolarHBondContact O-N 2.76Å; S311-V316 WeakPolarHBondContact CA-O 3.02Å; S311-V316 VanDerWaalsContact CB-O 3.27Å; S311-V316 WeakPolarHBondContact CB-O 3.49Å; S311-V316 PolarHBondContact O-N 3.41Å |
| 312 | K | 94.1 | Very high | 97.6 | Very high | 209 Ų | 209 | 47 Ų | 47 | 91% | 0.909 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68.2 | -36.9 | 173.8 | -67.1 | -174.7 | 179.4 | -177.8 | 0 | 112.7 | N310 | N310-K312 PolarHBondContact O-N 3.12Å; N310-K312 VanDerWaalsContact O-N 3.13Å |
| 313 | E | 95.2 | Very high | 97.6 | Very high | 113 Ų | 113 | 44.3 Ų | 44.3 | 53% | 0.528 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.7 | -49.5 | 176.4 | -180 | -173.2 | 167.4 | 0 | 0 | 110.2 | H258 N310 G315 | H258-E313 IonicContact CE1-OE1 3.79Å; H258-E313 PolarHBondContact CE1-OE1 3.41Å; H258-E313 VanDerWaalsContact CE1-OE1 3.3Å; N310-E313 HydrophobicContact CB-CB 4.45Å; N310-E313 WeakPolarHBondContact O-CB 3.31Å; N310-E313 PolarHBondContact O-N 2.9Å; E313-G315 VanDerWaalsContact C-N 3.34Å; E313-G315 PolarHBondContact O-N 3.14Å |
| 314 | F | 96.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.2 | -18.8 | -177.3 | -66.7 | -59.7 | 0 | 0 | 0 | 113.5 | H258 A261 Q262 A265 K269 Y306 N310 V316 | H258-F314 AromaticContact ND1-CZ 3.99Å; A261-F314 HydrophobicContact CB-CE1 4.12Å; A261-F314 HydrophobicContact CB-CE2 3.8Å; A261-F314 HydrophobicContact CB-CZ 3.55Å; Q262-F314 HydrophobicContact CB-CE1 4.19Å; A265-F314 HydrophobicContact CB-CB 3.9Å; A265-F314 HydrophobicContact CB-CD1 3.8Å; A265-F314 HydrophobicContact CB-CG 4.12Å; K269-F314 WeakPolarHBondContact CE-O 3.44Å; K269-F314 PolarHBondContact NZ-O 3.39Å; Y306-F314 HydrophobicContact CD1-CE2 4.05Å; Y306-F314 HydrophobicContact CD1-CZ 4.49Å; Y306-F314 AromaticContact CE1-CE2 3.73Å; Y306-F314 HydrophobicContact CE1-CE2 3.73Å; Y306-F314 AromaticContact CE1-CZ 3.87Å; Y306-F314 HydrophobicContact CE1-CZ 3.87Å; N310-F314 HydrophobicContact CB-CD2 3.75Å; N310-F314 HydrophobicContact CB-CE2 3.64Å; N310-F314 WeakPolarHBondContact O-CD2 3.47Å; N310-F314 PolarHBondContact O-N 3.3Å; F314-V316 HydrophobicContact CB-CG2 4.04Å; F314-V316 PolarHBondContact O-N 2.89Å |
| 315 | G | 96.1 | Very high | 97.5 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 27% | 0.268 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 16.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P24 I25 S311 E313 | P24-G315 WeakPolarHBondContact CA-O 3.42Å; I25-G315 PolarHBondContact N-O 3.38Å; I25-G315 VanDerWaalsContact N-O 3.14Å; S311-G315 VanDerWaalsContact O-CA 3.27Å; S311-G315 WeakPolarHBondContact O-CA 3.41Å; S311-G315 PolarHBondContact O-N 2.76Å; E313-G315 VanDerWaalsContact C-N 3.34Å; E313-G315 PolarHBondContact O-N 3.14Å |
| 316 | V | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152 | -175.8 | -50.2 | 0 | 0 | 0 | 0 | 110.3 | I25 A265 I268 K269 I307 S311 F314 | I25-V316 HydrophobicContact CB-CG1 4.19Å; I25-V316 HydrophobicContact CD1-CG1 4.29Å; I25-V316 WeakPolarHBondContact O-CA 3.38Å; A265-V316 HydrophobicContact CB-CG2 4.06Å; I268-V316 HydrophobicContact CB-CG1 4.31Å; I268-V316 HydrophobicContact CD1-CG2 4.27Å; I268-V316 HydrophobicContact CG2-CB 4.13Å; I268-V316 HydrophobicContact CG2-CG1 3.57Å; K269-V316 HydrophobicContact CG-CG1 4.23Å; I307-V316 HydrophobicContact CG2-CG2 3.72Å; S311-V316 WeakPolarHBondContact CA-O 3.02Å; S311-V316 VanDerWaalsContact CB-O 3.27Å; S311-V316 WeakPolarHBondContact CB-O 3.49Å; S311-V316 PolarHBondContact O-N 3.41Å; F314-V316 HydrophobicContact CB-CG2 4.04Å; F314-V316 PolarHBondContact O-N 2.89Å |
| 317 | T | 98.1 | Very high | 97.5 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 147.2 | 164.3 | 57.2 | 0 | 0 | 0 | 0 | 109 | P24 I25 T27 N308 | P24-T317 HydrophobicContact CB-CG2 4.26Å; P24-T317 HydrophobicContact CG-CG2 3.97Å; I25-T317 PolarHBondContact O-N 2.96Å; T27-T317 WeakPolarHBondContact CA-O 3.42Å; T27-T317 VanDerWaalsContact CB-O 3.22Å; T27-T317 WeakPolarHBondContact CB-O 3.31Å; T27-T317 PolarHBondContact N-O 3Å; T27-T317 PolarHBondContact OG1-O 2.98Å; N308-T317 WeakPolarHBondContact OD1-CA 3.27Å |
| 318 | V | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.8 | -178.5 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | T27 V29 M264 I268 M304 I307 N308 | T27-V318 HydrophobicContact CG2-CG1 4.39Å; T27-V318 WeakPolarHBondContact O-CA 3.26Å; V29-V318 HydrophobicContact CG2-CB 4.19Å; M264-V318 HydrophobicContact CE-CG1 4.01Å; I268-V318 HydrophobicContact CD1-CG1 3.89Å; M304-V318 HydrophobicContact CB-CG2 3.83Å; M304-V318 HydrophobicContact CE-CB 4.28Å; M304-V318 HydrophobicContact CE-CG2 4.23Å; M304-V318 HydrophobicContact CG-CG2 4Å; I307-V318 HydrophobicContact CB-CG2 3.99Å; I307-V318 HydrophobicContact CD1-CG1 4.43Å; I307-V318 HydrophobicContact CD1-CG2 4.38Å; I307-V318 HydrophobicContact CG2-CG1 4.01Å; I307-V318 HydrophobicContact CG2-CG2 3.9Å; N308-V318 PolarHBondContact ND2-O 2.88Å; N308-V318 PolarHBondContact OD1-N 3.26Å; N308-V318 PolarHBondContact OD1-O 3.24Å |
| 319 | Q | 98 | Very high | 97.5 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 146.4 | 172.4 | 64.3 | -176.4 | -0.8 | 0 | 0 | 110.4 | Q26 T27 V29 M304 A321 | Q26-Q319 VanDerWaalsContact NE2-NE2 3.15Å; T27-Q319 PolarHBondContact O-N 3.3Å; V29-Q319 WeakPolarHBondContact CB-O 3.08Å; V29-Q319 PolarHBondContact N-O 2.87Å; M304-Q319 VanDerWaalsContact CE-C 3.47Å; Q319-A321 PolarHBondContact O-N 3.46Å |
| 320 | Y | 98.7 | Very high | 97.5 | Very high | 25 Ų | 25 | 37.4 Ų | 37.4 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 134.1 | 167 | -74.8 | -67.3 | 0 | 0 | 0 | 108.5 | V29 P31 E67 R68 F297 M300 D301 M304 | V29-Y320 HydrophobicContact CG1-CD1 4.43Å; P31-Y320 HydrophobicContact CG-CD1 3.74Å; P31-Y320 HydrophobicContact CG-CE1 3.98Å; E67-Y320 HydrophobicContact CB-CD2 4.43Å; E67-Y320 VanDerWaalsContact O-CB 3.25Å; E67-Y320 WeakPolarHBondContact O-CB 3.34Å; R68-Y320 HydrophobicContact CG-CE2 4.19Å; F297-Y320 HydrophobicContact CD1-CE1 4.03Å; F297-Y320 AromaticContact CD1-CZ 3.93Å; F297-Y320 WeakPolarHBondContact CD1-OH 3.35Å; F297-Y320 HydrophobicContact CE1-CD1 4.49Å; F297-Y320 AromaticContact CE1-CE1 3.74Å; F297-Y320 HydrophobicContact CE1-CE1 3.74Å; M300-Y320 WeakPolarHBondContact CB-OH 3.42Å; M300-Y320 HydrophobicContact CE-CE1 3.54Å; D301-Y320 WeakPolarHBondContact OD1-CE2 3.35Å; D301-Y320 PolarHBondContact OD1-OH 3.21Å; M304-Y320 HydrophobicContact CE-CD1 4.19Å; M304-Y320 HydrophobicContact CE-CD2 3.96Å; M304-Y320 HydrophobicContact CE-CE1 4.36Å; M304-Y320 HydrophobicContact CE-CE2 4.14Å; M304-Y320 HydrophobicContact CE-CG 3.98Å; M304-Y320 HydrophobicContact SD-CD1 4.08Å; M304-Y320 HydrophobicContact SD-CD2 4.11Å; M304-Y320 HydrophobicContact SD-CE1 3.65Å; M304-Y320 HydrophobicContact SD-CE2 3.68Å; M304-Y320 HydrophobicContact SD-CG 4.29Å |
| 321 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -147.7 | 157.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F28 V29 I30 Q319 E325 | F28-A321 HydrophobicContact CB-CB 3.86Å; F28-A321 HydrophobicContact CD1-CB 3.62Å; F28-A321 HydrophobicContact CG-CB 4.22Å; V29-A321 PolarHBondContact O-N 3.07Å; I30-A321 HydrophobicContact CD1-CB 3.83Å; I30-A321 WeakPolarHBondContact CD1-O 3.49Å; Q319-A321 PolarHBondContact O-N 3.46Å; A321-E325 WeakPolarHBondContact CA-OE2 3.31Å; A321-E325 HydrophobicContact CB-CB 4.18Å | ||
| 322 | T | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -93 | 175.6 | 163 | 63.8 | 0 | 0 | 0 | 0 | 109.9 | I30 R69 G101 E104 S324 E325 Y326 | I30-T322 WeakPolarHBondContact CD1-O 3.46Å; R69-T322 HydrophobicContact CB-CG2 4.05Å; R69-T322 HydrophobicContact CG-CG2 4.2Å; G101-T322 WeakPolarHBondContact O-CG2 3.39Å; E104-T322 HydrophobicContact CB-CG2 3.93Å; E104-T322 WeakPolarHBondContact OE2-CB 3.28Å; E104-T322 PolarHBondContact OE2-OG1 3.06Å; T322-S324 VanDerWaalsContact C-N 3.34Å; T322-S324 PolarHBondContact OG1-OG 3Å; T322-E325 PolarHBondContact N-OE2 2.61Å; T322-E325 PolarHBondContact O-N 3.29Å; T322-E325 PolarHBondContact OG1-OE2 3.3Å; T322-Y326 PolarHBondContact O-N 3.3Å | ||
| 323 | L | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.5 | -33.5 | -177.1 | -168.7 | 57.6 | 0 | 0 | 0 | 111.1 | E104 I106 F144 S145 W146 L170 L281 E325 Y326 F327 | E104-L323 PolarHBondContact OE2-N 2.8Å; I106-L323 HydrophobicContact CG2-CB 4.13Å; I106-L323 HydrophobicContact CG2-CD2 4.15Å; F144-L323 HydrophobicContact CB-CD2 3.79Å; F144-L323 HydrophobicContact CB-CG 4.12Å; S145-L323 VanDerWaalsContact O-CD2 3.27Å; S145-L323 WeakPolarHBondContact O-CD2 3.37Å; W146-L323 HydrophobicContact CE3-CD1 4.22Å; W146-L323 HydrophobicContact CE3-CD2 3.94Å; W146-L323 HydrophobicContact CZ3-CD1 4.14Å; L170-L323 HydrophobicContact CD1-CD1 4.28Å; L281-L323 HydrophobicContact CD1-CD1 3.6Å; L323-E325 PolarHBondContact O-N 3.27Å; L323-Y326 HydrophobicContact CD1-CD1 4.37Å; L323-Y326 PolarHBondContact O-N 3.24Å; L323-F327 HydrophobicContact CD1-CD2 3.86Å; L323-F327 HydrophobicContact CD1-CE2 3.52Å; L323-F327 HydrophobicContact CD1-CZ 4.36Å; L323-F327 HydrophobicContact CD2-CD2 4.47Å; L323-F327 HydrophobicContact CD2-CE2 3.94Å; L323-F327 HydrophobicContact CG-CD2 3.68Å; L323-F327 HydrophobicContact CG-CE2 3.53Å; L323-F327 WeakPolarHBondContact O-CD2 3.27Å; L323-F327 PolarHBondContact O-N 3.49Å |
| 324 | S | 97.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 33.7 Ų | 33.7 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57 | -46.4 | 173 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | E104 F144 T322 Y326 F327 Q328 | E104-S324 VanDerWaalsContact OE1-CB 3.28Å; E104-S324 WeakPolarHBondContact OE1-CB 3.3Å; E104-S324 PolarHBondContact OE2-N 3.32Å; F144-S324 VanDerWaalsContact CE2-CA 3.48Å; T322-S324 VanDerWaalsContact C-N 3.34Å; T322-S324 PolarHBondContact OG1-OG 3Å; S324-Y326 VanDerWaalsContact C-N 3.35Å; S324-Y326 PolarHBondContact O-N 2.66Å; S324-F327 PolarHBondContact O-N 3.13Å; S324-Q328 WeakPolarHBondContact O-CB 3.49Å; S324-Q328 PolarHBondContact O-N 2.79Å |
| 325 | E | 98.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 27% | 0.271 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.9 | -39 | -178.7 | -71.8 | 167.1 | 120.1 | 0 | 0 | 111.7 | F28 R69 A321 T322 L323 S329 | F28-E325 HydrophobicContact CD1-CB 4.5Å; R69-E325 IonicContact NE-OE1 2.91Å; R69-E325 IonicContact NE-OE2 2.63Å; A321-E325 WeakPolarHBondContact CA-OE2 3.31Å; A321-E325 HydrophobicContact CB-CB 4.18Å; T322-E325 PolarHBondContact N-OE2 2.61Å; T322-E325 PolarHBondContact O-N 3.29Å; T322-E325 PolarHBondContact OG1-OE2 3.3Å; L323-E325 PolarHBondContact O-N 3.27Å; E325-S329 PolarHBondContact O-N 2.82Å; E325-S329 PolarHBondContact O-OG 2.97Å |
| 326 | Y | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -55.6 | 173.5 | 167.2 | -105.9 | 0 | 0 | 0 | 111.6 | F28 Q189 H207 L281 T322 L323 S324 Q328 S329 V330 | F28-Y326 HydrophobicContact CB-CD2 4.24Å; F28-Y326 AromaticContact CD2-CD2 3.94Å; F28-Y326 HydrophobicContact CD2-CD2 3.94Å; F28-Y326 HydrophobicContact CG-CD2 4.11Å; Q189-Y326 PolarHBondContact NE2-OH 3.49Å; H207-Y326 PolarHBondContact CE1-OH 2.62Å; H207-Y326 VanDerWaalsContact CE1-OH 3.28Å; H207-Y326 AromaticContact ND1-CE1 3.89Å; H207-Y326 AromaticContact ND1-CZ 3.81Å; H207-Y326 PolarHBondContact ND1-OH 3.18Å; L281-Y326 HydrophobicContact CB-CD1 4.08Å; L281-Y326 HydrophobicContact CB-CD2 3.81Å; L281-Y326 HydrophobicContact CB-CE1 3.91Å; L281-Y326 HydrophobicContact CB-CE2 3.64Å; L281-Y326 HydrophobicContact CB-CG 4.02Å; L281-Y326 HydrophobicContact CD1-CD1 3.6Å; L281-Y326 HydrophobicContact CD1-CE1 3.77Å; L281-Y326 HydrophobicContact CD1-CG 4.09Å; L281-Y326 HydrophobicContact CG-CD1 4.36Å; L281-Y326 HydrophobicContact CG-CE1 4.48Å; L281-Y326 HydrophobicContact CG-CG 4.43Å; T322-Y326 PolarHBondContact O-N 3.3Å; L323-Y326 HydrophobicContact CD1-CD1 4.37Å; L323-Y326 PolarHBondContact O-N 3.24Å; S324-Y326 VanDerWaalsContact C-N 3.35Å; S324-Y326 PolarHBondContact O-N 2.66Å; Y326-Q328 VanDerWaalsContact C-N 3.27Å; Y326-Q328 PolarHBondContact O-N 3.36Å; Y326-S329 WeakPolarHBondContact O-CB 3.29Å; Y326-S329 PolarHBondContact O-N 3.13Å; Y326-S329 VanDerWaalsContact O-N 3.09Å; Y326-V330 HydrophobicContact CD1-CG2 4.5Å; Y326-V330 HydrophobicContact CD2-CG2 4.16Å; Y326-V330 HydrophobicContact CE1-CG2 4.01Å; Y326-V330 HydrophobicContact CE2-CG2 3.59Å; Y326-V330 WeakPolarHBondContact O-CG2 3.48Å; Y326-V330 PolarHBondContact O-N 3.35Å |
| 327 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.8 | -32.1 | -176.4 | -79.7 | -59.9 | 0 | 0 | 0 | 112.3 | F144 A168 L170 F205 H207 L323 S324 S329 V330 H331 W972 | F144-F327 HydrophobicContact CD1-CB 4.14Å; F144-F327 AromaticContact CD1-CD2 3.45Å; F144-F327 HydrophobicContact CD1-CD2 3.45Å; F144-F327 VanDerWaalsContact CD1-CD2 3.45Å; F144-F327 HydrophobicContact CD1-CE2 4.15Å; F144-F327 HydrophobicContact CD1-CG 4.12Å; F144-F327 HydrophobicContact CE1-CB 3.73Å; F144-F327 AromaticContact CE1-CD2 3.96Å; F144-F327 HydrophobicContact CE1-CD2 3.96Å; F144-F327 HydrophobicContact CE1-CG 4.2Å; F144-F327 HydrophobicContact CG-CD2 4.2Å; A168-F327 HydrophobicContact CB-CB 4.41Å; A168-F327 HydrophobicContact CB-CD1 3.61Å; A168-F327 HydrophobicContact CB-CD2 3.85Å; A168-F327 HydrophobicContact CB-CE1 3.65Å; A168-F327 HydrophobicContact CB-CE2 3.87Å; A168-F327 HydrophobicContact CB-CG 3.72Å; A168-F327 HydrophobicContact CB-CZ 3.78Å; L170-F327 HydrophobicContact CB-CZ 4.28Å; F205-F327 HydrophobicContact CD1-CD1 4.12Å; F205-F327 AromaticContact CD1-CE1 3.9Å; F205-F327 HydrophobicContact CD1-CE1 3.9Å; F205-F327 HydrophobicContact CE1-CD1 4.08Å; F205-F327 AromaticContact CE1-CE1 3.83Å; F205-F327 HydrophobicContact CE1-CE1 3.83Å; H207-F327 HydrophobicContact CB-CE1 3.97Å; H207-F327 HydrophobicContact CB-CZ 4.11Å; L323-F327 HydrophobicContact CD1-CD2 3.86Å; L323-F327 HydrophobicContact CD1-CE2 3.52Å; L323-F327 HydrophobicContact CD1-CZ 4.36Å; L323-F327 HydrophobicContact CD2-CD2 4.47Å; L323-F327 HydrophobicContact CD2-CE2 3.94Å; L323-F327 HydrophobicContact CG-CD2 3.68Å; L323-F327 HydrophobicContact CG-CE2 3.53Å; L323-F327 WeakPolarHBondContact O-CD2 3.27Å; L323-F327 PolarHBondContact O-N 3.49Å; S324-F327 PolarHBondContact O-N 3.13Å; F327-S329 VanDerWaalsContact C-N 3.31Å; F327-S329 PolarHBondContact O-N 3.37Å; F327-V330 PolarHBondContact O-N 3.28Å; F327-H331 VanDerWaalsContact O-CB 3.3Å; F327-H331 WeakPolarHBondContact O-CB 3.37Å; F327-H331 PolarHBondContact O-N 2.96Å; F327-W972 HydrophobicContact CB-CH2 4.37Å; F327-W972 HydrophobicContact CB-CZ3 3.85Å |
| 328 | Q | 98.1 | Very high | 97 | Very high | 90 Ų | 90 | 39.7 Ų | 39.7 | 42% | 0.421 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.2 | -176.8 | 175.6 | 11.6 | 0 | 0 | 111 | S324 Y326 H331 Q332 W972 | S324-Q328 WeakPolarHBondContact O-CB 3.49Å; S324-Q328 PolarHBondContact O-N 2.79Å; Y326-Q328 VanDerWaalsContact C-N 3.27Å; Y326-Q328 PolarHBondContact O-N 3.36Å; Q328-H331 PolarHBondContact O-N 2.98Å; Q328-Q332 WeakPolarHBondContact O-CB 3.49Å; Q328-Q332 VanDerWaalsContact O-CG 3.23Å; Q328-Q332 WeakPolarHBondContact O-CG 3.37Å; Q328-Q332 PolarHBondContact O-N 3.2Å; Q328-W972 HydrophobicContact CB-CH2 3.84Å; Q328-W972 HydrophobicContact CB-CZ2 4.47Å |
| 329 | S | 97.8 | Very high | 97 | Very high | 18 Ų | 18 | 42 Ų | 42 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | F28 E325 Y326 F327 Q332 S333 | F28-S329 WeakPolarHBondContact CE1-OG 3.2Å; F28-S329 WeakPolarHBondContact CZ-OG 3.38Å; E325-S329 PolarHBondContact O-N 2.82Å; E325-S329 PolarHBondContact O-OG 2.97Å; Y326-S329 WeakPolarHBondContact O-CB 3.29Å; Y326-S329 PolarHBondContact O-N 3.13Å; Y326-S329 VanDerWaalsContact O-N 3.09Å; F327-S329 VanDerWaalsContact C-N 3.31Å; F327-S329 PolarHBondContact O-N 3.37Å; S329-Q332 PolarHBondContact O-N 3.14Å; S329-S333 PolarHBondContact O-N 3.43Å; S329-S333 VanDerWaalsContact O-N 3.1Å |
| 330 | V | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 173 | 179 | 0 | 0 | 0 | 0 | 111.4 | F205 H279 Y326 F327 S333 W337 W974 | F205-V330 HydrophobicContact CE1-CG1 4.13Å; F205-V330 HydrophobicContact CZ-CG1 3.92Å; H279-V330 HydrophobicContact CB-CG2 4.49Å; Y326-V330 HydrophobicContact CD1-CG2 4.5Å; Y326-V330 HydrophobicContact CD2-CG2 4.16Å; Y326-V330 HydrophobicContact CE1-CG2 4.01Å; Y326-V330 HydrophobicContact CE2-CG2 3.59Å; Y326-V330 WeakPolarHBondContact O-CG2 3.48Å; Y326-V330 PolarHBondContact O-N 3.35Å; F327-V330 PolarHBondContact O-N 3.28Å; V330-S333 WeakPolarHBondContact O-CB 3.45Å; V330-S333 PolarHBondContact O-N 3.17Å; V330-S333 PolarHBondContact O-OG 3.47Å; V330-W337 HydrophobicContact CG1-CH2 4.07Å; V330-W337 HydrophobicContact CG1-CZ2 3.61Å; V330-W974 HydrophobicContact CB-CH2 4.45Å; V330-W974 HydrophobicContact CG1-CH2 4.16Å; V330-W974 HydrophobicContact CG1-CZ3 4.03Å |
| 331 | H | 97 | Very high | 96.7 | Very high | 58 Ų | 58 | 40.7 Ų | 40.7 | 27% | 0.269 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.1 | -174.4 | -101 | 0 | 0 | 0 | 111.9 | F327 Q328 S333 N334 W972 R973 W974 | F327-H331 VanDerWaalsContact O-CB 3.3Å; F327-H331 WeakPolarHBondContact O-CB 3.37Å; F327-H331 PolarHBondContact O-N 2.96Å; Q328-H331 PolarHBondContact O-N 2.98Å; H331-S333 VanDerWaalsContact C-N 3.27Å; H331-S333 PolarHBondContact O-N 3.46Å; H331-N334 PolarHBondContact O-N 3.22Å; H331-W972 HydrophobicContact CB-CE3 3.88Å; H331-W972 HydrophobicContact CB-CZ3 3.99Å; H331-W972 AromaticContact CG-CE3 3.89Å; H331-R973 PolarHBondContact NE2-O 2.94Å; H331-W974 HydrophobicContact CB-CH2 3.62Å; H331-W974 HydrophobicContact CB-CZ2 4.14Å; H331-W974 HydrophobicContact CB-CZ3 3.94Å; H331-W974 AromaticContact CD2-CD2 3.87Å; H331-W974 AromaticContact CD2-CE2 3.87Å; H331-W974 AromaticContact CD2-CE3 3.88Å; H331-W974 AromaticContact CD2-CH2 3.99Å; H331-W974 AromaticContact CD2-CZ2 3.96Å; H331-W974 AromaticContact CD2-CZ3 3.94Å |
| 332 | Q | 96.6 | Very high | 96.5 | Very high | 127 Ų | 127 | 42.4 Ų | 42.4 | 59% | 0.593 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.2 | -23.8 | 178.3 | -73.7 | 172.6 | -2.6 | 0 | 0 | 113.7 | Q328 S329 N334 | Q328-Q332 WeakPolarHBondContact O-CB 3.49Å; Q328-Q332 VanDerWaalsContact O-CG 3.23Å; Q328-Q332 WeakPolarHBondContact O-CG 3.37Å; Q328-Q332 PolarHBondContact O-N 3.2Å; S329-Q332 PolarHBondContact O-N 3.14Å; Q332-N334 PolarHBondContact O-N 2.9Å; Q332-N334 VanDerWaalsContact O-N 3.1Å |
| 333 | S | 93.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.5 | 170.8 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | S329 V330 H331 L335 | S329-S333 PolarHBondContact O-N 3.43Å; S329-S333 VanDerWaalsContact O-N 3.1Å; V330-S333 WeakPolarHBondContact O-CB 3.45Å; V330-S333 PolarHBondContact O-N 3.17Å; V330-S333 PolarHBondContact O-OG 3.47Å; H331-S333 VanDerWaalsContact C-N 3.27Å; H331-S333 PolarHBondContact O-N 3.46Å; S333-L335 PolarHBondContact O-N 3.12Å |
| 334 | N | 90.2 | Very high | 96.4 | Very high | 96 Ų | 96 | 47.9 Ų | 47.9 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | trans | 56.7 | 28.2 | 169.9 | -157.2 | 19.9 | 0 | 0 | 0 | 113.9 | H331 Q332 K975 | H331-N334 PolarHBondContact O-N 3.22Å; Q332-N334 PolarHBondContact O-N 2.9Å; Q332-N334 VanDerWaalsContact O-N 3.1Å; N334-K975 PolarHBondContact ND2-NZ 2.85Å; N334-K975 VanDerWaalsContact OD1-CD 3.24Å; N334-K975 WeakPolarHBondContact OD1-CD 3.49Å; N334-K975 WeakPolarHBondContact OD1-CE 3.18Å; N334-K975 PolarHBondContact OD1-NZ 3.1Å | ||
| 335 | L | 95.2 | Very high | 96.4 | Very high | 50 Ų | 50 | 46.6 Ų | 46.6 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -69.7 | 153.2 | 176.1 | -66 | -177.5 | 0 | 0 | 0 | 111.4 | R276 T277 S333 W337 | R276-L335 HydrophobicContact CB-CD1 4.26Å; T277-L335 HydrophobicContact CG2-CD1 3.6Å; S333-L335 PolarHBondContact O-N 3.12Å; L335-W337 HydrophobicContact CB-CZ2 4.08Å; L335-W337 HydrophobicContact CD1-CH2 4.09Å; L335-W337 HydrophobicContact CD1-CZ2 4.18Å; L335-W337 PolarHBondContact O-NE1 2.78Å |
| 336 | T | 95.9 | Very high | 96.4 | Very high | 69 Ų | 69 | 44.6 Ų | 44.6 | 42% | 0.423 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.6 | 167 | -58.4 | 0 | 0 | 0 | 0 | 109.4 | R276 K975 | R276-T336 PolarHBondContact NH1-O 2.79Å; R276-T336 PolarHBondContact NH2-O 2.89Å; T336-K975 CarbonylContact C-O 3.6Å; T336-K975 WeakPolarHBondContact CA-O 3.37Å |
| 337 | W | 96.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 148.5 | -177.4 | -60.1 | 103.5 | 0 | 0 | 0 | 112 | Q189 V191 F205 R276 T277 V330 L335 W974 K975 | Q189-W337 HydrophobicContact CB-CE3 3.82Å; Q189-W337 HydrophobicContact CB-CH2 4.05Å; Q189-W337 HydrophobicContact CB-CZ3 3.34Å; Q189-W337 HydrophobicContact CG-CZ3 4.24Å; V191-W337 HydrophobicContact CG2-CB 4.01Å; F205-W337 HydrophobicContact CD2-CD2 4.31Å; F205-W337 HydrophobicContact CD2-CG 4.2Å; F205-W337 AromaticContact CE2-CD2 3.48Å; F205-W337 HydrophobicContact CE2-CD2 3.48Å; F205-W337 VanDerWaalsContact CE2-CD2 3.48Å; F205-W337 AromaticContact CE2-CE2 3.54Å; F205-W337 AromaticContact CE2-CE3 3.83Å; F205-W337 HydrophobicContact CE2-CE3 3.83Å; F205-W337 AromaticContact CE2-CG 3.82Å; F205-W337 HydrophobicContact CE2-CG 3.82Å; F205-W337 HydrophobicContact CE2-CH2 4.28Å; F205-W337 AromaticContact CE2-CZ2 3.97Å; F205-W337 HydrophobicContact CE2-CZ2 3.97Å; F205-W337 HydrophobicContact CE2-CZ3 4.23Å; F205-W337 AromaticContact CE2-NE1 3.89Å; F205-W337 HydrophobicContact CZ-CD2 4.31Å; F205-W337 HydrophobicContact CZ-CE3 4.41Å; F205-W337 HydrophobicContact CZ-CH2 4.17Å; F205-W337 HydrophobicContact CZ-CZ2 4.05Å; F205-W337 HydrophobicContact CZ-CZ3 4.36Å; R276-W337 HydrophobicContact CB-CH2 4.46Å; R276-W337 HydrophobicContact CB-CZ3 4.19Å; R276-W337 HydrophobicContact CG-CZ3 4.49Å; T277-W337 HydrophobicContact CG2-CH2 4.07Å; T277-W337 HydrophobicContact CG2-CZ2 4.41Å; V330-W337 HydrophobicContact CG1-CH2 4.07Å; V330-W337 HydrophobicContact CG1-CZ2 3.61Å; L335-W337 HydrophobicContact CB-CZ2 4.08Å; L335-W337 HydrophobicContact CD1-CH2 4.09Å; L335-W337 HydrophobicContact CD1-CZ2 4.18Å; L335-W337 PolarHBondContact O-NE1 2.78Å; W337-W974 AromaticContact CD1-CE3 3.81Å; W337-W974 AromaticContact NE1-CE3 3.49Å; W337-W974 AromaticContact NE1-CZ3 3.76Å; W337-K975 PolarHBondContact N-O 2.83Å |
| 338 | D | 96.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 150.2 | 171 | -69.4 | -17.1 | 0 | 0 | 0 | 109.5 | F190 V191 | F190-D338 CarbonylContact C-O 3.56Å; F190-D338 WeakPolarHBondContact CA-O 3.39Å; F190-D338 WeakPolarHBondContact CB-O 3.39Å; V191-D338 PolarHBondContact N-O 2.99Å |
| 339 | V | 97.2 | Very high | 96.3 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 33% | 0.333 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | V191 R193 T976 | V191-V339 CarbonylContact O-C 3.54Å; V191-V339 WeakPolarHBondContact O-CA 3.25Å; R193-V339 HydrophobicContact CG-CG1 3.99Å; V339-T976 HydrophobicContact CG2-CG2 3.57Å |
| 340 | R | 96.6 | Very high | 96.1 | Very high | 47 Ų | 47 | 43 Ų | 43 | 18% | 0.177 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 135.2 | 162.3 | -175 | 179.7 | -177.6 | 81.5 | -3 | 108.7 | F190 V191 R193 E343 D344 F345 | F190-R340 HydrophobicContact CD2-CB 3.4Å; F190-R340 HydrophobicContact CD2-CG 4.37Å; F190-R340 HydrophobicContact CE2-CB 3.7Å; F190-R340 VanDerWaalsContact CE2-CD 3.47Å; F190-R340 HydrophobicContact CE2-CG 4.21Å; F190-R340 HydrophobicContact CG-CB 4.17Å; V191-R340 PolarHBondContact O-N 3.23Å; R193-R340 PolarHBondContact N-O 3.07Å; R340-E343 PolarHBondContact NE-O 2.88Å; R340-E343 PolarHBondContact NH2-O 2.57Å; R340-D344 PolarHBondContact NH2-O 3.44Å; R340-F345 VanDerWaalsContact CZ-CZ 3.45Å |
| 341 | G | 94.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | trans | -74.4 | -153.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W192 R193 E343 | W192-G341 PolarHBondContact NE1-O 3.17Å; W192-G341 VanDerWaalsContact NE1-O 3.12Å; R193-G341 CarbonylContact O-C 3.6Å; R193-G341 VanDerWaalsContact O-C 3.23Å; G341-E343 WeakPolarHBondContact CA-OE2 3.31Å; G341-E343 PolarHBondContact N-OE2 3Å; G341-E343 PolarHBondContact O-N 3.03Å | ||
| 342 | S | 94.4 | Very high | 95.8 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -81.3 | 14.4 | -178.9 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | A155 R193 G194 M741 | A155-S342 WeakPolarHBondContact CB-O 3.47Å; R193-S342 WeakPolarHBondContact O-CA 3.09Å; R193-S342 PolarHBondContact O-N 2.94Å; G194-S342 WeakPolarHBondContact O-CA 3.26Å; G194-S342 WeakPolarHBondContact O-CB 3.38Å; S342-M741 VanDerWaalsContact O-CE 3.23Å; S342-M741 WeakPolarHBondContact O-CE 3.37Å |
| 343 | E | 95.4 | Very high | 95.6 | Very high | 103 Ų | 103 | 46.9 Ų | 46.9 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | trans | -73.8 | 133.3 | 176.9 | -52.9 | 89.4 | 167.1 | 0 | 0 | 111.2 | W192 R340 G341 | W192-E343 WeakPolarHBondContact CZ2-O 3.07Å; W192-E343 PolarHBondContact NE1-O 2.89Å; R340-E343 PolarHBondContact NE-O 2.88Å; R340-E343 PolarHBondContact NH2-O 2.57Å; G341-E343 WeakPolarHBondContact CA-OE2 3.31Å; G341-E343 PolarHBondContact N-OE2 3Å; G341-E343 PolarHBondContact O-N 3.03Å | ||
| 344 | D | 97.7 | Very high | 95.6 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | trans | -84 | -176.6 | 171.8 | 67 | -7.9 | 0 | 0 | 0 | 111.5 | A153 A155 R340 M741 R743 | A153-D344 WeakPolarHBondContact O-CB 3.12Å; A155-D344 HydrophobicContact CB-CB 4.18Å; R340-D344 PolarHBondContact NH2-O 3.44Å; D344-M741 HydrophobicContact CB-CE 4.01Å; D344-R743 IonicContact OD1-CZ 3.29Å; D344-R743 IonicContact OD1-NH1 3.51Å; D344-R743 PolarHBondContact OD1-NH1 3.27Å; D344-R743 IonicContact OD1-NH2 3.67Å; D344-R743 IonicContact OD2-CZ 2.7Å; D344-R743 IonicContact OD2-NH1 3.68Å; D344-R743 PolarHBondContact OD2-NH1 2.89Å; D344-R743 IonicContact OD2-NH2 3.09Å; D344-R743 PolarHBondContact OD2-NH2 2.83Å | ||
| 345 | F | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -114.6 | 36.3 | 177 | -66.8 | -86.4 | 0 | 0 | 0 | 112 | A153 I171 I174 L178 M182 F190 W192 R340 | A153-F345 HydrophobicContact CB-CB 4.12Å; A153-F345 HydrophobicContact CB-CD2 3.99Å; A153-F345 HydrophobicContact CB-CG 4.46Å; A153-F345 PolarHBondContact O-N 2.97Å; I171-F345 HydrophobicContact CD1-CD2 3.78Å; I171-F345 HydrophobicContact CD1-CE2 3.65Å; I171-F345 HydrophobicContact CD1-CG 4.44Å; I171-F345 HydrophobicContact CD1-CZ 4.21Å; I174-F345 HydrophobicContact CB-CB 4.12Å; I174-F345 HydrophobicContact CB-CD1 3.77Å; I174-F345 HydrophobicContact CB-CG 4.21Å; I174-F345 HydrophobicContact CD1-CD1 4.06Å; I174-F345 HydrophobicContact CD1-CE1 4.01Å; I174-F345 HydrophobicContact CG2-CB 3.64Å; I174-F345 HydrophobicContact CG2-CD1 3.45Å; I174-F345 VanDerWaalsContact CG2-CD1 3.45Å; I174-F345 HydrophobicContact CG2-CD2 4.28Å; I174-F345 HydrophobicContact CG2-CE1 4.11Å; I174-F345 HydrophobicContact CG2-CG 3.54Å; L178-F345 HydrophobicContact CD2-CD1 3.63Å; L178-F345 HydrophobicContact CD2-CE1 3.83Å; M182-F345 HydrophobicContact CE-CE1 4.39Å; M182-F345 HydrophobicContact SD-CE1 4.11Å; F190-F345 HydrophobicContact CE1-CZ 4.15Å; F190-F345 HydrophobicContact CE2-CZ 4.49Å; F190-F345 AromaticContact CZ-CE2 3.92Å; F190-F345 HydrophobicContact CZ-CE2 3.92Å; F190-F345 AromaticContact CZ-CZ 3.62Å; F190-F345 HydrophobicContact CZ-CZ 3.62Å; W192-F345 AromaticContact CH2-CD2 3.74Å; W192-F345 HydrophobicContact CH2-CD2 3.74Å; W192-F345 AromaticContact CH2-CE2 3.8Å; W192-F345 HydrophobicContact CH2-CE2 3.8Å; W192-F345 HydrophobicContact CZ2-CD2 4.01Å; W192-F345 AromaticContact CZ2-CE2 3.93Å; W192-F345 HydrophobicContact CZ2-CE2 3.93Å; W192-F345 HydrophobicContact CZ3-CD2 4.42Å; W192-F345 HydrophobicContact CZ3-CE2 4.16Å; R340-F345 VanDerWaalsContact CZ-CZ 3.45Å | ||
| 346 | L | 97.8 | Very high | 96 | Very high | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | trans | -109.5 | 148.3 | 179 | -64.4 | 167.6 | 0 | 0 | 0 | 112 | A116 F758 P759 | A116-L346 HydrophobicContact CB-CD1 4.43Å; A116-L346 HydrophobicContact CB-CD2 4.15Å; L346-F758 WeakPolarHBondContact O-CE1 3.28Å; L346-P759 HydrophobicContact CD1-CG 3.9Å | ||
| 347 | P | 97.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | S | Bend | cis | -74.1 | 155.4 | -9.3 | 32.8 | -35.3 | 0 | 0 | 0 | 112 | T357 R755 F758 | P347-T357 HydrophobicContact CB-CG2 3.35Å; P347-T357 HydrophobicContact CG-CG2 4.22Å; P347-R755 WeakPolarHBondContact CG-O 3.26Å; P347-F758 VanDerWaalsContact CD-CE1 3.4Å |
| 348 | Y | 97.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | trans | -80.4 | 138.5 | 171.1 | 169.3 | -127.6 | 0 | 0 | 0 | 111 | F151 R173 I174 T350 W356 | F151-Y348 HydrophobicContact CB-CD1 4.03Å; F151-Y348 VanDerWaalsContact O-CB 3.23Å; F151-Y348 WeakPolarHBondContact O-CB 3.37Å; R173-Y348 HydrophobicContact CB-CD1 4.38Å; R173-Y348 HydrophobicContact CB-CD2 4.11Å; R173-Y348 HydrophobicContact CB-CE1 4.09Å; R173-Y348 HydrophobicContact CB-CE2 3.85Å; R173-Y348 HydrophobicContact CB-CG 4.38Å; R173-Y348 HydrophobicContact CG-CE1 4.36Å; R173-Y348 PolarHBondContact NH1-OH 2.89Å; I174-Y348 WeakPolarHBondContact O-CD2 3.39Å; I174-Y348 WeakPolarHBondContact O-CE2 3.25Å; Y348-T350 VanDerWaalsContact OH-CB 3.27Å; Y348-T350 WeakPolarHBondContact OH-CB 3.47Å; Y348-T350 PolarHBondContact OH-OG1 3.03Å; Y348-W356 HydrophobicContact CD1-CB 3.86Å; Y348-W356 AromaticContact CD1-CD2 3.82Å; Y348-W356 HydrophobicContact CD1-CD2 3.82Å; Y348-W356 HydrophobicContact CD1-CE3 4.2Å; Y348-W356 AromaticContact CD1-CG 3.66Å; Y348-W356 HydrophobicContact CD1-CG 3.66Å; Y348-W356 AromaticContact CE1-CD2 3.67Å; Y348-W356 HydrophobicContact CE1-CD2 3.67Å; Y348-W356 AromaticContact CE1-CE2 3.8Å; Y348-W356 HydrophobicContact CE1-CE3 4.05Å; Y348-W356 AromaticContact CE1-CG 3.9Å; Y348-W356 HydrophobicContact CE1-CG 3.9Å; Y348-W356 HydrophobicContact CE1-CZ2 4.32Å; Y348-W356 PolarHBondContact O-N 2.97Å | ||
| 349 | S | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 122.7 | 169.7 | -169.5 | 0 | 0 | 0 | 0 | 108.9 | Y176 E351 Q354 | Y176-S349 PolarHBondContact N-O 2.8Å; S349-E351 PolarHBondContact OG-O 3.26Å; S349-Q354 WeakPolarHBondContact CA-O 3.4Å; S349-Q354 PolarHBondContact OG-O 2.82Å |
| 350 | T | 94.8 | Very high | 96.3 | Very high | 51 Ų | 51 | 33 Ų | 33 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -27 | -179.4 | -145.4 | 0 | 0 | 0 | 0 | 112.1 | Y176 Y348 Q354 | Y176-T350 WeakPolarHBondContact CB-O 3.21Å; Y348-T350 VanDerWaalsContact OH-CB 3.27Å; Y348-T350 WeakPolarHBondContact OH-CB 3.47Å; Y348-T350 PolarHBondContact OH-OG1 3.03Å; T350-Q354 HydrophobicContact CG2-CB 4.04Å; T350-Q354 PolarHBondContact N-O 3.17Å |
| 351 | E | 93.8 | Very high | 96.3 | Very high | 109 Ų | 109 | 30.8 Ų | 30.8 | 51% | 0.509 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 164.9 | -175.2 | -85.2 | -175.3 | -160.3 | 0 | 0 | 110.7 | S349 Y353 Q354 | S349-E351 PolarHBondContact OG-O 3.26Å; E351-Y353 PolarHBondContact O-N 2.97Å; E351-Q354 HydrophobicContact CB-CB 4.24Å; E351-Q354 HydrophobicContact CB-CG 4.25Å; E351-Q354 PolarHBondContact O-N 3.05Å |
| 352 | P | 93.7 | Very high | 96.5 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 26% | 0.26 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -28.1 | -172.1 | -28.8 | 33.4 | 0 | 0 | 0 | 117.7 | Y176 N750 N751 | Y176-P352 HydrophobicContact CE2-CG 3.77Å; Y176-P352 WeakPolarHBondContact OH-CA 3.23Å; P352-N750 HydrophobicContact CB-CB 3.88Å; P352-N750 VanDerWaalsContact O-CB 3.25Å; P352-N750 WeakPolarHBondContact O-CB 3.35Å; P352-N751 WeakPolarHBondContact O-CB 3.34Å |
| 353 | Y | 92.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 29.2 Ų | 29.2 | 47% | 0.467 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 10.4 | 179.7 | -57.5 | -73.8 | 0 | 0 | 0 | 114.1 | E351 P635 N750 N751 | E351-Y353 PolarHBondContact O-N 2.97Å; Y353-P635 VanDerWaalsContact CB-CG 3.43Å; Y353-P635 HydrophobicContact CD1-CG 3.91Å; Y353-P635 HydrophobicContact CD2-CG 4.38Å; Y353-P635 HydrophobicContact CG-CG 3.67Å; Y353-N750 HydrophobicContact CD1-CB 4.03Å; Y353-N750 HydrophobicContact CE1-CB 3.61Å; Y353-N750 WeakPolarHBondContact CE1-OD1 3.33Å; Y353-N750 VanDerWaalsContact CZ-CG 3.5Å; Y353-N750 VanDerWaalsContact CZ-OD1 3.27Å; Y353-N750 PolarHBondContact OH-OD1 3.2Å; Y353-N751 PolarHBondContact O-ND2 3.45Å |
| 354 | Q | 93.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 24.3 Ų | 24.3 | 33% | 0.327 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 74.3 | -177.4 | -62.3 | -171 | 0.8 | 0 | 0 | 109.1 | S349 T350 E351 W356 I641 | S349-Q354 WeakPolarHBondContact CA-O 3.4Å; S349-Q354 PolarHBondContact OG-O 2.82Å; T350-Q354 HydrophobicContact CG2-CB 4.04Å; T350-Q354 PolarHBondContact N-O 3.17Å; E351-Q354 HydrophobicContact CB-CB 4.24Å; E351-Q354 HydrophobicContact CB-CG 4.25Å; E351-Q354 PolarHBondContact O-N 3.05Å; Q354-W356 VanDerWaalsContact O-CD1 3.29Å; Q354-I641 HydrophobicContact CB-CD1 3.8Å; Q354-I641 HydrophobicContact CB-CG1 4.5Å; Q354-I641 HydrophobicContact CG-CD1 3.92Å |
| 355 | A | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | T357 I641 F642 A754 R755 | A355-T357 PolarHBondContact O-N 3.27Å; A355-I641 WeakPolarHBondContact O-CA 3.37Å; A355-F642 PolarHBondContact O-N 3.24Å; A355-A754 HydrophobicContact CB-CB 3.8Å; A355-R755 HydrophobicContact CB-CG 3.92Å |
| 356 | W | 97.9 | Very high | 96.6 | Very high | 33 Ų | 33 | 26 Ų | 26 | 13% | 0.125 | 13% | 0.126 | C | C | . | . | trans | -88.3 | 69 | -172.6 | -69 | 45.8 | 0 | 0 | 0 | 108.6 | F151 Y348 Q354 F359 Y640 I641 | F151-W356 HydrophobicContact CB-CE3 3.87Å; F151-W356 AromaticContact CD1-CE3 3.67Å; F151-W356 HydrophobicContact CD1-CE3 3.67Å; F151-W356 AromaticContact CD1-CZ3 3.43Å; F151-W356 HydrophobicContact CD1-CZ3 3.43Å; F151-W356 VanDerWaalsContact CD1-CZ3 3.43Å; F151-W356 AromaticContact CD2-CE3 3.97Å; F151-W356 HydrophobicContact CD2-CE3 3.97Å; F151-W356 HydrophobicContact CD2-CZ3 4.17Å; F151-W356 HydrophobicContact CE1-CE3 4.26Å; F151-W356 AromaticContact CE1-CZ3 3.6Å; F151-W356 HydrophobicContact CE1-CZ3 3.6Å; F151-W356 HydrophobicContact CE2-CE3 4.49Å; F151-W356 HydrophobicContact CE2-CZ3 4.3Å; F151-W356 AromaticContact CG-CE3 3.53Å; F151-W356 HydrophobicContact CG-CE3 3.53Å; F151-W356 AromaticContact CG-CZ3 3.76Å; F151-W356 HydrophobicContact CG-CZ3 3.76Å; F151-W356 HydrophobicContact CZ-CZ3 4.05Å; Y348-W356 HydrophobicContact CD1-CB 3.86Å; Y348-W356 AromaticContact CD1-CD2 3.82Å; Y348-W356 HydrophobicContact CD1-CD2 3.82Å; Y348-W356 HydrophobicContact CD1-CE3 4.2Å; Y348-W356 AromaticContact CD1-CG 3.66Å; Y348-W356 HydrophobicContact CD1-CG 3.66Å; Y348-W356 AromaticContact CE1-CD2 3.67Å; Y348-W356 HydrophobicContact CE1-CD2 3.67Å; Y348-W356 AromaticContact CE1-CE2 3.8Å; Y348-W356 HydrophobicContact CE1-CE3 4.05Å; Y348-W356 AromaticContact CE1-CG 3.9Å; Y348-W356 HydrophobicContact CE1-CG 3.9Å; Y348-W356 HydrophobicContact CE1-CZ2 4.32Å; Y348-W356 PolarHBondContact O-N 2.97Å; Q354-W356 VanDerWaalsContact O-CD1 3.29Å; W356-F359 HydrophobicContact CB-CD1 4.36Å; W356-F359 HydrophobicContact CB-CE1 4.25Å; W356-F359 WeakPolarHBondContact O-CD1 3.22Å; W356-F359 WeakPolarHBondContact O-CE1 3.36Å; W356-Y640 CarbonylContact C-O 3.57Å; W356-Y640 AromaticContact CE3-CD1 3.53Å; W356-Y640 HydrophobicContact CE3-CD1 3.53Å; W356-Y640 HydrophobicContact CE3-CE1 4.44Å; W356-Y640 HydrophobicContact CE3-CG 4.02Å; W356-Y640 AromaticContact CH2-CD1 3.97Å; W356-Y640 HydrophobicContact CH2-CD1 3.97Å; W356-Y640 HydrophobicContact CH2-CE1 4.33Å; W356-Y640 HydrophobicContact CH2-CG 4.34Å; W356-Y640 AromaticContact CZ3-CD1 3.2Å; W356-Y640 HydrophobicContact CZ3-CD1 3.2Å; W356-Y640 AromaticContact CZ3-CE1 3.72Å; W356-Y640 HydrophobicContact CZ3-CE1 3.72Å; W356-Y640 AromaticContact CZ3-CG 3.87Å; W356-Y640 HydrophobicContact CZ3-CG 3.87Å; W356-I641 HydrophobicContact CG-CG1 4.4Å | ||
| 357 | T | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -120.9 | -2.7 | -177.3 | 54.6 | 0 | 0 | 0 | 0 | 113 | P347 A355 Y360 Y640 A754 | P347-T357 HydrophobicContact CB-CG2 3.35Å; P347-T357 HydrophobicContact CG-CG2 4.22Å; A355-T357 PolarHBondContact O-N 3.27Å; T357-Y360 HydrophobicContact CG2-CD2 4.35Å; T357-Y360 HydrophobicContact CG2-CE2 3.57Å; T357-Y360 WeakPolarHBondContact O-CB 3.14Å; T357-Y360 VanDerWaalsContact O-CD2 3.31Å; T357-Y360 WeakPolarHBondContact O-CD2 3.26Å; T357-Y640 PolarHBondContact N-O 2.85Å; T357-A754 VanDerWaalsContact CG2-O 3.25Å; T357-A754 WeakPolarHBondContact CG2-O 3.16Å; T357-A754 PolarHBondContact OG1-O 3.43Å | ||
| 358 | G | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -73.1 | -37.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y360 A361 S362 Y640 R797 | G358-Y360 PolarHBondContact O-N 3.13Å; G358-Y360 VanDerWaalsContact O-N 3.09Å; G358-A361 PolarHBondContact O-N 2.76Å; G358-S362 PolarHBondContact O-N 3.5Å; G358-S362 PolarHBondContact O-OG 3.04Å; G358-Y640 WeakPolarHBondContact CA-O 3.29Å; G358-Y640 PolarHBondContact N-O 3.49Å; G358-R797 WeakPolarHBondContact O-CD 3.31Å; G358-R797 PolarHBondContact O-NH1 2.69Å |
| 359 | F | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.3 | 179.5 | 82.9 | -94.6 | 0 | 0 | 0 | 113.6 | A116 V117 F151 W356 A361 S362 K367 T422 T424 N639 Y640 | A116-F359 HydrophobicContact CB-CE2 3.81Å; A116-F359 HydrophobicContact CB-CZ 3.67Å; V117-F359 HydrophobicContact CG1-CD2 4.47Å; V117-F359 HydrophobicContact CG1-CE2 4.31Å; V117-F359 HydrophobicContact CG2-CD2 4.33Å; V117-F359 HydrophobicContact CG2-CE2 4.23Å; F151-F359 HydrophobicContact CB-CE1 3.65Å; F151-F359 HydrophobicContact CB-CZ 3.79Å; F151-F359 HydrophobicContact CD2-CD1 4.18Å; F151-F359 AromaticContact CD2-CE1 4Å; F151-F359 HydrophobicContact CD2-CE1 4Å; F151-F359 HydrophobicContact CD2-CE2 4.34Å; F151-F359 HydrophobicContact CD2-CG 4.41Å; F151-F359 HydrophobicContact CD2-CZ 4.07Å; F151-F359 HydrophobicContact CG-CE1 4.33Å; F151-F359 HydrophobicContact CG-CZ 4.47Å; W356-F359 HydrophobicContact CB-CD1 4.36Å; W356-F359 HydrophobicContact CB-CE1 4.25Å; W356-F359 WeakPolarHBondContact O-CD1 3.22Å; W356-F359 WeakPolarHBondContact O-CE1 3.36Å; F359-A361 PolarHBondContact O-N 2.67Å; F359-A361 VanDerWaalsContact O-N 3.09Å; F359-S362 PolarHBondContact O-N 3.3Å; F359-K367 WeakPolarHBondContact O-CE 3.21Å; F359-K367 PolarHBondContact O-NZ 3.2Å; F359-T422 HydrophobicContact CD2-CG2 3.61Å; F359-T422 HydrophobicContact CE2-CG2 3.67Å; F359-T424 HydrophobicContact CB-CG2 3.87Å; F359-N639 WeakPolarHBondContact CA-O 3.5Å; F359-N639 WeakPolarHBondContact CB-O 3.08Å; F359-N639 PolarHBondContact N-O 2.93Å; F359-Y640 PolarHBondContact N-O 3.45Å; F359-Y640 VanDerWaalsContact N-O 3.15Å |
| 360 | Y | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.4 | 171.7 | -57.4 | -20 | 0 | 0 | 0 | 112.5 | A116 V117 T357 G358 K367 P759 H781 G782 | A116-Y360 HydrophobicContact CB-CD1 4.27Å; A116-Y360 HydrophobicContact CB-CE1 3.7Å; V117-Y360 HydrophobicContact CG1-CD1 4Å; T357-Y360 HydrophobicContact CG2-CD2 4.35Å; T357-Y360 HydrophobicContact CG2-CE2 3.57Å; T357-Y360 WeakPolarHBondContact O-CB 3.14Å; T357-Y360 VanDerWaalsContact O-CD2 3.31Å; T357-Y360 WeakPolarHBondContact O-CD2 3.26Å; G358-Y360 PolarHBondContact O-N 3.13Å; G358-Y360 VanDerWaalsContact O-N 3.09Å; Y360-K367 WeakPolarHBondContact O-CE 3.46Å; Y360-P759 HydrophobicContact CD1-CB 4.3Å; Y360-P759 HydrophobicContact CE1-CB 4.41Å; Y360-P759 HydrophobicContact CG-CB 4.44Å; Y360-H781 CarbonylContact O-C 3.46Å; Y360-H781 VanDerWaalsContact O-C 3.31Å; Y360-H781 VanDerWaalsContact O-CA 3.23Å; Y360-H781 WeakPolarHBondContact O-CA 3.21Å; Y360-G782 VanDerWaalsContact CB-CA 3.45Å; Y360-G782 PolarHBondContact O-N 3.4Å |
| 361 | A | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -4.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G358 F359 M794 R797 | G358-A361 PolarHBondContact O-N 2.76Å; F359-A361 PolarHBondContact O-N 2.67Å; F359-A361 VanDerWaalsContact O-N 3.09Å; A361-M794 HydrophobicContact CB-CB 4.06Å; A361-M794 HydrophobicContact CB-CG 3.69Å; A361-M794 HydrophobicContact CB-SD 3.87Å; A361-R797 HydrophobicContact CB-CG 4.31Å |
| 362 | S | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 140.8 | 175.7 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | G358 F359 N364 K367 N639 R797 | G358-S362 PolarHBondContact O-N 3.5Å; G358-S362 PolarHBondContact O-OG 3.04Å; F359-S362 PolarHBondContact O-N 3.3Å; S362-N364 PolarHBondContact O-N 2.73Å; S362-K367 PolarHBondContact O-NZ 2.83Å; S362-N639 PolarHBondContact OG-O 2.97Å; S362-R797 PolarHBondContact OG-NH1 2.95Å; S362-R797 VanDerWaalsContact OG-NH1 3.17Å |
| 363 | R | 96.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 21 Ų | 21 | 12% | 0.121 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 54.4 | -178.7 | -56.7 | -167.3 | -174.6 | -84.9 | 0.7 | 114.2 | V365 L366 K367 E425 L813 | R363-V365 PolarHBondContact O-N 3.47Å; R363-V365 VanDerWaalsContact O-N 3.07Å; R363-L366 HydrophobicContact CB-CB 4.14Å; R363-L366 PolarHBondContact O-N 2.92Å; R363-K367 PolarHBondContact O-N 3.39Å; R363-E425 VanDerWaalsContact CD-CD 3.5Å; R363-E425 WeakPolarHBondContact CD-OE1 3.18Å; R363-E425 WeakPolarHBondContact CD-OE2 3.17Å; R363-E425 IonicContact CZ-OE1 3.85Å; R363-E425 IonicContact CZ-OE2 3.37Å; R363-E425 IonicContact NE-OE1 2.62Å; R363-E425 PolarHBondContact NE-OE1 3.49Å; R363-E425 IonicContact NE-OE2 2.72Å; R363-E425 PolarHBondContact NE-OE2 2.8Å; R363-E425 PolarHBondContact NH2-O 2.89Å; R363-L813 HydrophobicContact CG-CD1 3.93Å |
| 364 | N | 96.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -53.4 | -33.1 | -178.3 | -173.7 | -84.8 | 0 | 0 | 0 | 114 | S362 G368 R779 H781 L795 V819 | S362-N364 PolarHBondContact O-N 2.73Å; N364-G368 PolarHBondContact O-N 3.41Å; N364-R779 WeakPolarHBondContact ND2-CD 3.46Å; N364-R779 PolarHBondContact O-NH1 2.8Å; N364-R779 VanDerWaalsContact OD1-CD 3.28Å; N364-R779 WeakPolarHBondContact OD1-CD 3.41Å; N364-R779 PolarHBondContact OD1-NH1 2.8Å; N364-H781 PolarHBondContact ND2-CE1 3.21Å; N364-L795 PolarHBondContact ND2-O 3.37Å; N364-V819 HydrophobicContact CB-CB 4.38Å; N364-V819 HydrophobicContact CB-CG1 3.96Å |
| 365 | V | 97.4 | Very high | 97.9 | Very high | 47 Ų | 47 | 12.9 Ų | 12.9 | 29% | 0.285 | 6% | 0.058 | S | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | R363 G368 V369 M434 V819 | R363-V365 PolarHBondContact O-N 3.47Å; R363-V365 VanDerWaalsContact O-N 3.07Å; V365-G368 PolarHBondContact O-N 2.88Å; V365-V369 HydrophobicContact CG1-CG2 4.21Å; V365-V369 WeakPolarHBondContact O-CG2 3.44Å; V365-V369 PolarHBondContact O-N 2.75Å; V365-M434 HydrophobicContact CG1-CE 4.44Å; V365-V819 HydrophobicContact CG2-CG1 3.9Å |
| 366 | L | 98.2 | Very high | 98 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.037 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 179.2 | 176.5 | 61.3 | 0 | 0 | 0 | 110.8 | R363 G368 V369 A370 V415 A420 E425 Y433 M434 L437 | R363-L366 HydrophobicContact CB-CB 4.14Å; R363-L366 PolarHBondContact O-N 2.92Å; L366-G368 VanDerWaalsContact C-N 3.28Å; L366-G368 PolarHBondContact O-N 3.13Å; L366-V369 PolarHBondContact O-N 3.39Å; L366-A370 PolarHBondContact O-N 2.91Å; L366-V415 HydrophobicContact CD1-CG2 4.05Å; L366-V415 HydrophobicContact CD2-CG2 4.46Å; L366-V415 HydrophobicContact CG-CG2 4.35Å; L366-A420 WeakPolarHBondContact CD2-O 3.26Å; L366-E425 VanDerWaalsContact CD2-OE1 3.28Å; L366-E425 WeakPolarHBondContact CD2-OE1 3.23Å; L366-Y433 HydrophobicContact CD2-CD2 4.41Å; L366-M434 HydrophobicContact CB-SD 4.41Å; L366-M434 HydrophobicContact CD1-CG 4.08Å; L366-M434 HydrophobicContact CD1-SD 3.82Å; L366-L437 HydrophobicContact CD1-CD1 3.96Å |
| 367 | K | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -53.6 | -44.7 | 175.5 | -73 | 176.5 | 165.5 | 62.8 | 0 | 112.2 | F359 Y360 S362 R363 R371 I421 T422 R779 A780 | F359-K367 WeakPolarHBondContact O-CE 3.21Å; F359-K367 PolarHBondContact O-NZ 3.2Å; Y360-K367 WeakPolarHBondContact O-CE 3.46Å; S362-K367 PolarHBondContact O-NZ 2.83Å; R363-K367 PolarHBondContact O-N 3.39Å; K367-R371 WeakPolarHBondContact O-CG 3.31Å; K367-R371 PolarHBondContact O-N 2.99Å; K367-I421 HydrophobicContact CB-CD1 4.4Å; K367-I421 VanDerWaalsContact CE-O 3.28Å; K367-I421 WeakPolarHBondContact CE-O 3.44Å; K367-I421 HydrophobicContact CG-CD1 4.05Å; K367-I421 WeakPolarHBondContact CG-O 3.47Å; K367-I421 PolarHBondContact NZ-O 3.35Å; K367-T422 VanDerWaalsContact NZ-C 3.29Å; K367-T422 PolarHBondContact NZ-O 3.5Å; K367-R779 HydrophobicContact CB-CB 4.38Å; K367-A780 HydrophobicContact CD-CB 4.27Å |
| 368 | G | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.4 | -33.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N364 V365 L366 R372 | N364-G368 PolarHBondContact O-N 3.41Å; V365-G368 PolarHBondContact O-N 2.88Å; L366-G368 VanDerWaalsContact C-N 3.28Å; L366-G368 PolarHBondContact O-N 3.13Å; G368-R372 WeakPolarHBondContact O-CG 3.34Å; G368-R372 PolarHBondContact O-N 2.87Å; G368-R372 PolarHBondContact O-NH1 3.09Å; G368-R372 VanDerWaalsContact O-NH1 3.11Å |
| 369 | V | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -71.3 | -43.7 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | V365 L366 R371 R372 A373 M434 L437 M441 | V365-V369 HydrophobicContact CG1-CG2 4.21Å; V365-V369 WeakPolarHBondContact O-CG2 3.44Å; V365-V369 PolarHBondContact O-N 2.75Å; L366-V369 PolarHBondContact O-N 3.39Å; V369-R371 PolarHBondContact O-N 3.12Å; V369-R372 PolarHBondContact O-N 2.9Å; V369-A373 WeakPolarHBondContact O-CB 3.19Å; V369-A373 PolarHBondContact O-N 2.88Å; V369-M434 HydrophobicContact CB-CE 4.38Å; V369-M434 HydrophobicContact CB-SD 3.95Å; V369-M434 HydrophobicContact CG1-CE 4.29Å; V369-M434 HydrophobicContact CG1-SD 4.05Å; V369-M434 HydrophobicContact CG2-CE 3.67Å; V369-M434 HydrophobicContact CG2-SD 3.75Å; V369-L437 HydrophobicContact CG1-CB 4.07Å; V369-L437 HydrophobicContact CG1-CD1 4.11Å; V369-M441 HydrophobicContact CG1-CE 3.98Å |
| 370 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57 | -47.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L366 R372 A373 S374 V415 I421 L437 | L366-A370 PolarHBondContact O-N 2.91Å; A370-R372 PolarHBondContact O-N 3.09Å; A370-A373 WeakPolarHBondContact O-CB 3.49Å; A370-A373 PolarHBondContact O-N 2.82Å; A370-A373 VanDerWaalsContact O-N 3.17Å; A370-S374 PolarHBondContact O-N 3.24Å; A370-V415 HydrophobicContact CB-CG1 3.84Å; A370-V415 HydrophobicContact CB-CG2 4.43Å; A370-I421 HydrophobicContact CB-CD1 3.73Å; A370-L437 HydrophobicContact CB-CD1 4.33Å |
| 371 | R | 98.2 | Very high | 98.1 | Very high | 12 Ų | 12 | 16 Ų | 16 | 5% | 0.045 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 177.3 | -69.6 | -67.1 | -61.8 | -108.4 | -10.2 | 113.4 | D119 K367 V369 S375 V761 D778 R779 Q845 | D119-R371 IonicContact OD2-CZ 3.96Å; D119-R371 IonicContact OD2-NE 2.67Å; D119-R371 IonicContact OD2-NH1 3.11Å; D119-R371 PolarHBondContact OD2-NH1 3.11Å; D119-R371 IonicContact OD2-NH2 3.68Å; D119-R371 PolarHBondContact OD2-NH2 3.4Å; K367-R371 WeakPolarHBondContact O-CG 3.31Å; K367-R371 PolarHBondContact O-N 2.99Å; V369-R371 PolarHBondContact O-N 3.12Å; R371-S375 WeakPolarHBondContact O-CB 3.43Å; R371-S375 PolarHBondContact O-N 3.21Å; R371-V761 PolarHBondContact NH1-O 3.06Å; R371-D778 WeakPolarHBondContact CB-O 3.33Å; R371-R779 HydrophobicContact CG-CB 4.5Å; R371-Q845 VanDerWaalsContact NH2-CD 3.27Å; R371-Q845 PolarHBondContact O-NE2 2.74Å |
| 372 | R | 98.3 | Very high | 98.1 | Very high | 117 Ų | 117 | 16.1 Ų | 16.1 | 44% | 0.442 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 172.2 | -73.8 | -167 | -52.9 | -84.2 | 5.3 | 112.1 | G368 V369 A370 S375 R376 M441 | G368-R372 WeakPolarHBondContact O-CG 3.34Å; G368-R372 PolarHBondContact O-N 2.87Å; G368-R372 PolarHBondContact O-NH1 3.09Å; G368-R372 VanDerWaalsContact O-NH1 3.11Å; V369-R372 PolarHBondContact O-N 2.9Å; A370-R372 PolarHBondContact O-N 3.09Å; R372-S375 WeakPolarHBondContact O-CB 3.31Å; R372-S375 PolarHBondContact O-N 3.24Å; R372-R376 WeakPolarHBondContact O-CB 3.43Å; R372-R376 VanDerWaalsContact O-CG 3.3Å; R372-R376 WeakPolarHBondContact O-CG 3.38Å; R372-R376 PolarHBondContact O-N 3.02Å; R372-M441 HydrophobicContact CB-SD 4.46Å |
| 373 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V369 A370 S375 R376 L377 L408 V412 L437 M441 | V369-A373 WeakPolarHBondContact O-CB 3.19Å; V369-A373 PolarHBondContact O-N 2.88Å; A370-A373 WeakPolarHBondContact O-CB 3.49Å; A370-A373 PolarHBondContact O-N 2.82Å; A370-A373 VanDerWaalsContact O-N 3.17Å; A373-S375 PolarHBondContact O-N 2.96Å; A373-R376 PolarHBondContact O-N 2.9Å; A373-L377 WeakPolarHBondContact O-CB 3.44Å; A373-L377 PolarHBondContact O-N 3.11Å; A373-L408 HydrophobicContact CB-CD1 4.04Å; A373-V412 HydrophobicContact CB-CG2 3.85Å; A373-L437 HydrophobicContact CB-CD2 3.72Å; A373-M441 VanDerWaalsContact CA-SD 3.56Å; A373-M441 HydrophobicContact CB-CE 4.44Å; A373-M441 HydrophobicContact CB-CG 3.91Å; A373-M441 HydrophobicContact CB-SD 3.85Å |
| 374 | S | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 15 Ų | 15 | 4% | 0.035 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 172 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | D122 A370 R376 L377 H378 | D122-S374 WeakPolarHBondContact OD1-CB 3.37Å; D122-S374 PolarHBondContact OD1-OG 3.21Å; A370-S374 PolarHBondContact O-N 3.24Å; S374-R376 PolarHBondContact O-N 3.47Å; S374-L377 WeakPolarHBondContact O-CB 3.4Å; S374-L377 PolarHBondContact O-N 3.47Å; S374-H378 PolarHBondContact O-N 3.46Å |
| 375 | S | 98.1 | Very high | 98.1 | Very high | 12 Ų | 12 | 15.1 Ų | 15.1 | 8% | 0.084 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.4 | -173 | 0 | 0 | 0 | 0 | 113.4 | R371 R372 A373 H378 A379 Q845 | R371-S375 WeakPolarHBondContact O-CB 3.43Å; R371-S375 PolarHBondContact O-N 3.21Å; R372-S375 WeakPolarHBondContact O-CB 3.31Å; R372-S375 PolarHBondContact O-N 3.24Å; A373-S375 PolarHBondContact O-N 2.96Å; S375-H378 PolarHBondContact O-N 3.32Å; S375-A379 PolarHBondContact O-N 2.68Å; S375-A379 VanDerWaalsContact O-N 3.11Å; S375-Q845 WeakPolarHBondContact CB-O 3.25Å; S375-Q845 PolarHBondContact OG-O 3.46Å |
| 376 | R | 98.1 | Very high | 97.9 | Very high | 70 Ų | 70 | 13.4 Ų | 13.4 | 26% | 0.264 | 6% | 0.057 | S | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 176.3 | -71 | -61 | -169.4 | -124.3 | 6.3 | 111.9 | R372 A373 S374 A379 A380 M441 E445 | R372-R376 WeakPolarHBondContact O-CB 3.43Å; R372-R376 VanDerWaalsContact O-CG 3.3Å; R372-R376 WeakPolarHBondContact O-CG 3.38Å; R372-R376 PolarHBondContact O-N 3.02Å; A373-R376 PolarHBondContact O-N 2.9Å; S374-R376 PolarHBondContact O-N 3.47Å; R376-A379 PolarHBondContact O-N 3.32Å; R376-A380 WeakPolarHBondContact O-CB 3.09Å; R376-A380 PolarHBondContact O-N 3.42Å; R376-M441 HydrophobicContact CB-CG 4.4Å; R376-M441 HydrophobicContact CG-CG 4.48Å; R376-M441 HydrophobicContact CG-SD 4.31Å; R376-E445 IonicContact NE-OE1 3.16Å |
| 377 | L | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.3 | -50.2 | 174.6 | 178.8 | 59.9 | 0 | 0 | 0 | 110.5 | L125 A373 S374 A379 A380 E381 L405 L408 R409 V412 | L125-L377 HydrophobicContact CD2-CD2 3.48Å; L125-L377 VanDerWaalsContact CD2-CD2 3.48Å; A373-L377 WeakPolarHBondContact O-CB 3.44Å; A373-L377 PolarHBondContact O-N 3.11Å; S374-L377 WeakPolarHBondContact O-CB 3.4Å; S374-L377 PolarHBondContact O-N 3.47Å; L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.31Å; L377-A380 PolarHBondContact O-N 3.02Å; L377-A380 VanDerWaalsContact O-N 3.12Å; L377-E381 HydrophobicContact CD1-CG 3.89Å; L377-E381 HydrophobicContact CG-CG 4.28Å; L377-E381 WeakPolarHBondContact O-CB 3.48Å; L377-E381 WeakPolarHBondContact O-CG 3.39Å; L377-E381 PolarHBondContact O-N 3.41Å; L377-L405 HydrophobicContact CD1-CD2 4.2Å; L377-L408 HydrophobicContact CB-CD2 3.71Å; L377-L408 HydrophobicContact CB-CG 3.99Å; L377-L408 HydrophobicContact CD1-CB 4.27Å; L377-L408 HydrophobicContact CD1-CD2 4.16Å; L377-L408 HydrophobicContact CD1-CG 4.14Å; L377-L408 HydrophobicContact CG-CD2 4.5Å; L377-L408 HydrophobicContact CG-CG 4.47Å; L377-R409 HydrophobicContact CD1-CG 3.83Å; L377-R409 HydrophobicContact CD2-CB 4.46Å; L377-R409 HydrophobicContact CD2-CG 3.89Å; L377-R409 HydrophobicContact CG-CG 4.46Å; L377-V412 HydrophobicContact CD2-CB 4.4Å; L377-V412 HydrophobicContact CD2-CG2 4.25Å |
| 378 | H | 98.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -54.6 | -48.3 | 178 | -173.3 | 83.3 | 0 | 0 | 0 | 111.6 | S374 S375 A380 E381 T382 H846 L882 | S374-H378 PolarHBondContact O-N 3.46Å; S375-H378 PolarHBondContact O-N 3.32Å; H378-A380 PolarHBondContact O-N 3.39Å; H378-E381 PolarHBondContact O-N 3.29Å; H378-T382 VanDerWaalsContact O-CG2 3.28Å; H378-T382 WeakPolarHBondContact O-CG2 3.35Å; H378-T382 PolarHBondContact O-N 2.75Å; H378-T382 PolarHBondContact O-OG1 2.74Å; H378-H846 WeakPolarHBondContact CB-CE1 3.43Å; H378-H846 AromaticContact CD2-CD2 4Å; H378-H846 AromaticContact CD2-CE1 3.86Å; H378-H846 AromaticContact CD2-CG 3.81Å; H378-H846 AromaticContact CD2-ND1 3.75Å; H378-H846 AromaticContact CG-CE1 3.52Å; H378-H846 AromaticContact CG-ND1 3.8Å; H378-H846 AromaticContact CG-NE2 3.85Å; H378-L882 PolarHBondContact CE1-O 2.87Å |
| 379 | A | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 3% | 0.025 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S375 R376 L377 T382 L383 Y484 P486 F849 | S375-A379 PolarHBondContact O-N 2.68Å; S375-A379 VanDerWaalsContact O-N 3.11Å; R376-A379 PolarHBondContact O-N 3.32Å; L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.31Å; A379-T382 PolarHBondContact O-OG1 3.14Å; A379-L383 VanDerWaalsContact O-CB 3.32Å; A379-L383 WeakPolarHBondContact O-CB 3.32Å; A379-L383 PolarHBondContact O-N 2.69Å; A379-L383 VanDerWaalsContact O-N 3.15Å; A379-Y484 HydrophobicContact CB-CD1 4.34Å; A379-Y484 HydrophobicContact CB-CE1 4.27Å; A379-Y484 WeakPolarHBondContact O-CE1 3.44Å; A379-P486 HydrophobicContact CB-CB 3.87Å; A379-P486 HydrophobicContact CB-CG 4.34Å; A379-F849 HydrophobicContact CB-CB 4.43Å |
| 380 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.1 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R376 L377 H378 F384 L405 A444 L448 | R376-A380 WeakPolarHBondContact O-CB 3.09Å; R376-A380 PolarHBondContact O-N 3.42Å; L377-A380 PolarHBondContact O-N 3.02Å; L377-A380 VanDerWaalsContact O-N 3.12Å; H378-A380 PolarHBondContact O-N 3.39Å; A380-F384 WeakPolarHBondContact O-CB 3.13Å; A380-F384 PolarHBondContact O-N 2.86Å; A380-L405 HydrophobicContact CB-CD2 3.61Å; A380-A444 HydrophobicContact CB-CB 4.16Å; A380-L448 HydrophobicContact CB-CD1 4.35Å; A380-L448 HydrophobicContact CB-CD2 4.2Å; A380-L448 HydrophobicContact CB-CG 4.14Å |
| 381 | E | 98.3 | Very high | 96 | Very high | 15 Ų | 15 | 18.5 Ų | 18.5 | 7% | 0.07 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.9 | -46.9 | 178 | -71.8 | -163.6 | 132.2 | 0 | 0 | 112.5 | L377 H378 L383 F384 T385 L405 R409 L885 S886 | L377-E381 HydrophobicContact CD1-CG 3.89Å; L377-E381 HydrophobicContact CG-CG 4.28Å; L377-E381 WeakPolarHBondContact O-CB 3.48Å; L377-E381 WeakPolarHBondContact O-CG 3.39Å; L377-E381 PolarHBondContact O-N 3.41Å; H378-E381 PolarHBondContact O-N 3.29Å; E381-L383 VanDerWaalsContact C-N 3.35Å; E381-L383 PolarHBondContact O-N 3.36Å; E381-F384 PolarHBondContact O-N 3.4Å; E381-T385 VanDerWaalsContact O-CB 3.25Å; E381-T385 WeakPolarHBondContact O-CB 3.2Å; E381-T385 PolarHBondContact O-N 2.9Å; E381-T385 PolarHBondContact O-OG1 3.05Å; E381-L405 HydrophobicContact CG-CD2 4.09Å; E381-R409 IonicContact OE1-CZ 2.87Å; E381-R409 IonicContact OE1-NE 3.64Å; E381-R409 PolarHBondContact OE1-NE 2.94Å; E381-R409 IonicContact OE1-NH2 3.64Å; E381-R409 PolarHBondContact OE1-NH2 3.44Å; E381-L885 CarbonylContact C-O 3.58Å; E381-S886 VanDerWaalsContact OE1-CB 3.28Å; E381-S886 WeakPolarHBondContact OE1-CB 3.46Å; E381-S886 WeakPolarHBondContact OE2-CB 3.29Å |
| 382 | T | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | -179.1 | 58.9 | 0 | 0 | 0 | 0 | 111.2 | H378 A379 R386 Y484 L539 L885 | H378-T382 VanDerWaalsContact O-CG2 3.28Å; H378-T382 WeakPolarHBondContact O-CG2 3.35Å; H378-T382 PolarHBondContact O-N 2.75Å; H378-T382 PolarHBondContact O-OG1 2.74Å; A379-T382 PolarHBondContact O-OG1 3.14Å; T382-R386 VanDerWaalsContact O-CB 3.31Å; T382-R386 WeakPolarHBondContact O-CB 3.5Å; T382-R386 PolarHBondContact O-N 3.17Å; T382-R386 VanDerWaalsContact O-N 3.12Å; T382-Y484 WeakPolarHBondContact CB-OH 3.46Å; T382-Y484 PolarHBondContact OG1-OH 3.03Å; T382-L539 HydrophobicContact CG2-CD2 4.29Å; T382-L885 HydrophobicContact CG2-CB 4.05Å; T382-L885 HydrophobicContact CG2-CD2 4.45Å |
| 383 | L | 96.5 | Very high | 94.8 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.052 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.6 | -44.3 | 177.8 | -172.2 | 66.3 | 0 | 0 | 0 | 111.8 | A379 E381 R386 Y387 L448 L451 F452 Y484 | A379-L383 VanDerWaalsContact O-CB 3.32Å; A379-L383 WeakPolarHBondContact O-CB 3.32Å; A379-L383 PolarHBondContact O-N 2.69Å; A379-L383 VanDerWaalsContact O-N 3.15Å; E381-L383 VanDerWaalsContact C-N 3.35Å; E381-L383 PolarHBondContact O-N 3.36Å; L383-R386 PolarHBondContact O-N 3.39Å; L383-Y387 WeakPolarHBondContact O-CB 3.38Å; L383-Y387 PolarHBondContact O-N 3.38Å; L383-L448 HydrophobicContact CB-CD2 4.16Å; L383-L448 HydrophobicContact CD2-CD2 3.51Å; L383-L448 HydrophobicContact CG-CD2 4.46Å; L383-L451 HydrophobicContact CB-CD1 4.39Å; L383-L451 HydrophobicContact CD2-CB 4.04Å; L383-L451 HydrophobicContact CD2-CD1 4.02Å; L383-L451 HydrophobicContact CG-CB 4.44Å; L383-L451 HydrophobicContact CG-CD1 4.04Å; L383-F452 HydrophobicContact CD1-CE1 4.12Å; L383-F452 HydrophobicContact CD1-CZ 4.37Å; L383-F452 HydrophobicContact CD2-CD1 4.26Å; L383-F452 HydrophobicContact CD2-CD2 4.36Å; L383-F452 HydrophobicContact CD2-CE1 3.59Å; L383-F452 HydrophobicContact CD2-CE2 3.71Å; L383-F452 HydrophobicContact CD2-CZ 3.26Å; L383-F452 HydrophobicContact CG-CZ 4.46Å; L383-Y484 HydrophobicContact CB-CE1 3.95Å; L383-Y484 HydrophobicContact CD1-CD2 4.34Å; L383-Y484 HydrophobicContact CD1-CE2 4.02Å; L383-Y484 PolarHBondContact N-OH 3.44Å |
| 384 | F | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 178.5 | 176.4 | -117.4 | 0 | 0 | 0 | 111.8 | A380 E381 R386 Y387 R388 A401 L405 L447 L451 I887 | A380-F384 WeakPolarHBondContact O-CB 3.13Å; A380-F384 PolarHBondContact O-N 2.86Å; E381-F384 PolarHBondContact O-N 3.4Å; F384-R386 VanDerWaalsContact C-N 3.33Å; F384-R386 PolarHBondContact O-N 2.82Å; F384-Y387 PolarHBondContact O-N 2.64Å; F384-R388 HydrophobicContact CD2-CG 4.42Å; F384-R388 HydrophobicContact CE1-CG 4.37Å; F384-R388 HydrophobicContact CE2-CG 3.81Å; F384-R388 HydrophobicContact CZ-CG 3.79Å; F384-R388 PolarHBondContact O-N 3.29Å; F384-A401 HydrophobicContact CD2-CB 3.82Å; F384-A401 HydrophobicContact CE1-CB 4.44Å; F384-A401 HydrophobicContact CE2-CB 3.25Å; F384-A401 HydrophobicContact CZ-CB 3.61Å; F384-L405 HydrophobicContact CB-CD1 4.08Å; F384-L405 HydrophobicContact CD1-CD1 3.39Å; F384-L405 HydrophobicContact CE1-CD1 4.04Å; F384-L405 HydrophobicContact CG-CD1 3.91Å; F384-L447 HydrophobicContact CB-CD2 4.44Å; F384-L447 HydrophobicContact CD2-CD1 4.38Å; F384-L451 HydrophobicContact CB-CD1 4.04Å; F384-L451 HydrophobicContact CD2-CD2 4.09Å; F384-I887 HydrophobicContact CD1-CD1 4.1Å; F384-I887 HydrophobicContact CE1-CB 4.47Å; F384-I887 HydrophobicContact CE1-CD1 3.66Å; F384-I887 HydrophobicContact CZ-CD1 4.32Å |
| 385 | T | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 176.7 | -59 | 0 | 0 | 0 | 0 | 110.7 | E381 Y387 R388 I389 L885 S886 V918 | E381-T385 VanDerWaalsContact O-CB 3.25Å; E381-T385 WeakPolarHBondContact O-CB 3.2Å; E381-T385 PolarHBondContact O-N 2.9Å; E381-T385 PolarHBondContact O-OG1 3.05Å; T385-Y387 PolarHBondContact O-N 3.07Å; T385-R388 PolarHBondContact O-N 3.02Å; T385-I389 HydrophobicContact CG2-CD1 4.01Å; T385-I389 VanDerWaalsContact O-CG1 3.32Å; T385-I389 WeakPolarHBondContact O-CG1 3.47Å; T385-I389 PolarHBondContact O-N 3.45Å; T385-L885 HydrophobicContact CG2-CD1 4.08Å; T385-L885 HydrophobicContact CG2-CD2 4.47Å; T385-L885 HydrophobicContact CG2-CG 3.94Å; T385-L885 PolarHBondContact OG1-O 3.48Å; T385-S886 VanDerWaalsContact OG1-CA 3.28Å; T385-S886 WeakPolarHBondContact OG1-CA 3.43Å; T385-V918 HydrophobicContact CG2-CB 4.35Å; T385-V918 HydrophobicContact CG2-CG1 3.61Å; T385-V918 HydrophobicContact CG2-CG2 3.78Å |
| 386 | R | 93.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 5% | 0.045 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.9 | -179.5 | 172.8 | -173.2 | 110.4 | 25.6 | 112.4 | T382 L383 F384 R388 I389 S390 L539 P872 G948 L949 | T382-R386 VanDerWaalsContact O-CB 3.31Å; T382-R386 WeakPolarHBondContact O-CB 3.5Å; T382-R386 PolarHBondContact O-N 3.17Å; T382-R386 VanDerWaalsContact O-N 3.12Å; L383-R386 PolarHBondContact O-N 3.39Å; F384-R386 VanDerWaalsContact C-N 3.33Å; F384-R386 PolarHBondContact O-N 2.82Å; R386-R388 VanDerWaalsContact C-N 3.33Å; R386-I389 PolarHBondContact O-N 3.49Å; R386-S390 WeakPolarHBondContact O-CB 3.26Å; R386-S390 PolarHBondContact O-N 3.47Å; R386-S390 PolarHBondContact O-OG 3.31Å; R386-L539 PolarHBondContact NH1-O 3.4Å; R386-P872 PolarHBondContact NH1-O 2.79Å; R386-P872 PolarHBondContact NH2-O 2.94Å; R386-P872 VanDerWaalsContact NH2-O 3.12Å; R386-G948 PolarHBondContact NH2-O 2.91Å; R386-L949 HydrophobicContact CB-CD2 3.9Å; R386-L949 HydrophobicContact CG-CD2 3.74Å |
| 387 | Y | 92.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.9 | -46 | 176.5 | 172.8 | -87.1 | 0 | 0 | 0 | 110.4 | L383 F384 T385 I389 S390 F391 G394 P395 V396 L451 Q456 | L383-Y387 WeakPolarHBondContact O-CB 3.38Å; L383-Y387 PolarHBondContact O-N 3.38Å; F384-Y387 PolarHBondContact O-N 2.64Å; T385-Y387 PolarHBondContact O-N 3.07Å; Y387-I389 PolarHBondContact O-N 2.78Å; Y387-S390 PolarHBondContact O-N 2.78Å; Y387-S390 VanDerWaalsContact O-N 3.16Å; Y387-F391 AromaticContact CD2-CD2 3.94Å; Y387-F391 HydrophobicContact CD2-CD2 3.94Å; Y387-F391 HydrophobicContact CE2-CB 4.39Å; Y387-F391 HydrophobicContact CE2-CD2 4.14Å; Y387-F391 PolarHBondContact O-N 2.94Å; Y387-G394 VanDerWaalsContact OH-C 3.28Å; Y387-G394 WeakPolarHBondContact OH-CA 3.28Å; Y387-P395 WeakPolarHBondContact OH-CD 3.19Å; Y387-V396 HydrophobicContact CE1-CB 3.82Å; Y387-V396 HydrophobicContact CE1-CG2 4.17Å; Y387-V396 HydrophobicContact CE2-CG2 4.29Å; Y387-V396 PolarHBondContact OH-N 3.37Å; Y387-V396 VanDerWaalsContact OH-N 3.16Å; Y387-L451 HydrophobicContact CD1-CD2 3.51Å; Y387-L451 HydrophobicContact CD2-CD2 3.73Å; Y387-L451 HydrophobicContact CE1-CD2 4.04Å; Y387-L451 HydrophobicContact CE2-CD2 4.2Å; Y387-L451 HydrophobicContact CG-CD2 3.35Å; Y387-Q456 HydrophobicContact CE2-CG 4.48Å |
| 388 | R | 92.1 | Very high | 93 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 178.6 | -90.6 | -61.2 | -75.6 | 85.6 | -2.7 | 113 | F384 T385 R386 S390 P392 I887 Y915 D916 | F384-R388 HydrophobicContact CD2-CG 4.42Å; F384-R388 HydrophobicContact CE1-CG 4.37Å; F384-R388 HydrophobicContact CE2-CG 3.81Å; F384-R388 HydrophobicContact CZ-CG 3.79Å; F384-R388 PolarHBondContact O-N 3.29Å; T385-R388 PolarHBondContact O-N 3.02Å; R386-R388 VanDerWaalsContact C-N 3.33Å; R388-S390 VanDerWaalsContact C-N 3.28Å; R388-S390 PolarHBondContact O-N 3.02Å; R388-P392 VanDerWaalsContact NH1-CA 3.32Å; R388-P392 WeakPolarHBondContact O-CA 3.35Å; R388-I887 HydrophobicContact CB-CD1 3.85Å; R388-I887 HydrophobicContact CG-CD1 3.86Å; R388-Y915 VanDerWaalsContact NH2-CB 3.3Å; R388-D916 IonicContact CZ-OD1 2.81Å; R388-D916 IonicContact NH1-OD1 3.4Å; R388-D916 IonicContact NH2-OD1 2.73Å; R388-D916 PolarHBondContact NH2-OD1 2.85Å |
| 389 | I | 91.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 30.4 Ų | 30.4 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 175.4 | -64.4 | 160.9 | 0 | 0 | 0 | 110.9 | T385 R386 Y387 V918 L949 F1009 | T385-I389 HydrophobicContact CG2-CD1 4.01Å; T385-I389 VanDerWaalsContact O-CG1 3.32Å; T385-I389 WeakPolarHBondContact O-CG1 3.47Å; T385-I389 PolarHBondContact O-N 3.45Å; R386-I389 PolarHBondContact O-N 3.49Å; Y387-I389 PolarHBondContact O-N 2.78Å; I389-V918 HydrophobicContact CD1-CG2 4.28Å; I389-V918 HydrophobicContact CG1-CG2 4.47Å; I389-L949 HydrophobicContact CD1-CB 4.16Å; I389-L949 VanDerWaalsContact CG2-O 3.3Å; I389-L949 WeakPolarHBondContact CG2-O 3.14Å; I389-F1009 HydrophobicContact CD1-CD2 3.56Å; I389-F1009 HydrophobicContact CD1-CE1 4.38Å; I389-F1009 HydrophobicContact CD1-CE2 3.41Å; I389-F1009 VanDerWaalsContact CD1-CE2 3.41Å; I389-F1009 HydrophobicContact CD1-CG 4.14Å; I389-F1009 HydrophobicContact CD1-CZ 3.84Å; I389-F1009 HydrophobicContact CG1-CD2 3.79Å; I389-F1009 HydrophobicContact CG1-CE2 4.16Å; I389-F1009 HydrophobicContact CG1-CG 4.2Å; I389-F1009 HydrophobicContact CG2-CB 3.98Å; I389-F1009 HydrophobicContact CG2-CD1 4.22Å; I389-F1009 HydrophobicContact CG2-CD2 4.39Å; I389-F1009 HydrophobicContact CG2-CG 3.94Å |
| 390 | S | 88.2 | Confident | 92.7 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -81.9 | -33.7 | -174.4 | -56 | 0 | 0 | 0 | 0 | 113.3 | R386 Y387 R388 | R386-S390 WeakPolarHBondContact O-CB 3.26Å; R386-S390 PolarHBondContact O-N 3.47Å; R386-S390 PolarHBondContact O-OG 3.31Å; Y387-S390 PolarHBondContact O-N 2.78Å; Y387-S390 VanDerWaalsContact O-N 3.16Å; R388-S390 VanDerWaalsContact C-N 3.28Å; R388-S390 PolarHBondContact O-N 3.02Å |
| 391 | F | 88.1 | Confident | 92.6 | Very high | 56 Ų | 56 | 34.4 Ų | 34.4 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | trans | -137.1 | 71.8 | -174.4 | -51.3 | -76.1 | 0 | 0 | 0 | 110.6 | Y387 D393 G394 Q456 | Y387-F391 AromaticContact CD2-CD2 3.94Å; Y387-F391 HydrophobicContact CD2-CD2 3.94Å; Y387-F391 HydrophobicContact CE2-CB 4.39Å; Y387-F391 HydrophobicContact CE2-CD2 4.14Å; Y387-F391 PolarHBondContact O-N 2.94Å; F391-D393 PolarHBondContact O-N 2.97Å; F391-G394 PolarHBondContact O-N 2.95Å; F391-Q456 HydrophobicContact CD1-CB 4.09Å; F391-Q456 HydrophobicContact CD2-CG 4.4Å; F391-Q456 HydrophobicContact CE1-CB 3.77Å; F391-Q456 HydrophobicContact CE1-CG 4.5Å; F391-Q456 HydrophobicContact CE2-CB 4.29Å; F391-Q456 HydrophobicContact CE2-CG 4.14Å; F391-Q456 HydrophobicContact CG-CB 4.48Å; F391-Q456 HydrophobicContact CZ-CB 3.89Å; F391-Q456 HydrophobicContact CZ-CG 4.2Å | ||
| 392 | P | 86.1 | Confident | 92.5 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 26% | 0.26 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -38.5 | -177.4 | -25.3 | 34.3 | 0 | 0 | 0 | 114.2 | R388 | R388-P392 VanDerWaalsContact NH1-CA 3.32Å; R388-P392 WeakPolarHBondContact O-CA 3.35Å |
| 393 | D | 85.2 | Confident | 92.5 | Very high | 122 Ų | 122 | 39.7 Ų | 39.7 | 65% | 0.652 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 24.2 | 178.5 | -53 | -54.6 | 0 | 0 | 0 | 112.4 | F391 | F391-D393 PolarHBondContact O-N 2.97Š|
| 394 | G | 85.7 | Confident | 92.6 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | trans | -64.9 | 164.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y387 F391 V396 | Y387-G394 VanDerWaalsContact OH-C 3.28Å; Y387-G394 WeakPolarHBondContact OH-CA 3.28Å; F391-G394 PolarHBondContact O-N 2.95Å; G394-V396 VanDerWaalsContact C-N 3.29Å; G394-V396 PolarHBondContact O-N 2.86Å | ||
| 395 | P | 90.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 41.4 Ų | 41.4 | 43% | 0.429 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -66.4 | -21.3 | -172.9 | 29 | -40.8 | 0 | 0 | 0 | 115.5 | Y387 A397 L454 P455 | Y387-P395 WeakPolarHBondContact OH-CD 3.19Å; P395-A397 PolarHBondContact O-N 3Å; P395-L454 HydrophobicContact CB-CB 4.44Å; P395-L454 HydrophobicContact CB-CD1 4.5Å; P395-L454 HydrophobicContact CG-CB 3.8Å; P395-P455 WeakPolarHBondContact CG-O 3.4Å |
| 396 | V | 92.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -71.9 | 114.3 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 110 | Y387 G394 K398 W400 A401 L447 A450 L451 L454 | Y387-V396 HydrophobicContact CE1-CB 3.82Å; Y387-V396 HydrophobicContact CE1-CG2 4.17Å; Y387-V396 HydrophobicContact CE2-CG2 4.29Å; Y387-V396 PolarHBondContact OH-N 3.37Å; Y387-V396 VanDerWaalsContact OH-N 3.16Å; G394-V396 VanDerWaalsContact C-N 3.29Å; G394-V396 PolarHBondContact O-N 2.86Å; V396-K398 PolarHBondContact O-N 3.28Å; V396-W400 HydrophobicContact CG1-CE3 4.18Å; V396-W400 HydrophobicContact CG1-CZ3 4.14Å; V396-A401 HydrophobicContact CG1-CB 4.11Å; V396-L447 HydrophobicContact CG1-CD1 4.06Å; V396-A450 HydrophobicContact CG2-CB 4.16Å; V396-L451 HydrophobicContact CB-CD2 4.42Å; V396-L451 HydrophobicContact CG1-CD2 4.25Å; V396-L451 HydrophobicContact CG2-CD2 4.09Å; V396-L454 HydrophobicContact CG2-CD1 3.86Å |
| 397 | A | 93.8 | Very high | 92.9 | Very high | 60 Ų | 60 | 47 Ų | 47 | 50% | 0.496 | 25% | 0.251 | S | S | . | . | trans | -60.8 | 121.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P395 D399 W400 A401 | P395-A397 PolarHBondContact O-N 3Å; A397-D399 PolarHBondContact O-N 2.9Å; A397-W400 HydrophobicContact CB-CB 4.08Å; A397-W400 PolarHBondContact O-N 3.02Å; A397-A401 PolarHBondContact O-N 3.47Å | ||
| 398 | K | 93 | Very high | 93.2 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 32% | 0.322 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.8 | -42.2 | -174.3 | 66.9 | -173.5 | -172.2 | 172.4 | 0 | 113.5 | V396 A401 L402 E912 Y915 | V396-K398 PolarHBondContact O-N 3.28Å; K398-A401 PolarHBondContact O-N 2.99Å; K398-L402 WeakPolarHBondContact O-CB 3.41Å; K398-L402 PolarHBondContact O-N 2.85Å; K398-E912 IonicContact NZ-OE2 3.53Å; K398-Y915 HydrophobicContact CB-CD1 4Å; K398-Y915 HydrophobicContact CB-CE1 3.78Å; K398-Y915 HydrophobicContact CB-CE2 4.37Å; K398-Y915 HydrophobicContact CB-CG 4.41Å; K398-Y915 HydrophobicContact CD-CD2 3.62Å; K398-Y915 HydrophobicContact CD-CE1 4.49Å; K398-Y915 HydrophobicContact CD-CE2 3.57Å; K398-Y915 HydrophobicContact CD-CG 4.1Å; K398-Y915 HydrophobicContact CG-CD1 4.47Å; K398-Y915 HydrophobicContact CG-CD2 4.24Å; K398-Y915 HydrophobicContact CG-CE1 4.1Å; K398-Y915 HydrophobicContact CG-CE2 3.81Å |
| 399 | D | 93.9 | Very high | 93.5 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.2 | -41.1 | -177.6 | -57.5 | -52.1 | 0 | 0 | 0 | 111.3 | A397 L402 E403 Y915 | A397-D399 PolarHBondContact O-N 2.9Å; D399-L402 PolarHBondContact O-N 3.48Å; D399-E403 WeakPolarHBondContact O-CB 3.29Å; D399-E403 PolarHBondContact O-N 3.5Å; D399-Y915 WeakPolarHBondContact CA-OH 3.41Å; D399-Y915 PolarHBondContact OD1-OH 3.01Å |
| 400 | W | 96.3 | Very high | 93.9 | Very high | 87 Ų | 87 | 49 Ų | 49 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 174.5 | 173.5 | 83.6 | 0 | 0 | 0 | 111.5 | V396 A397 L402 E403 K404 E446 L447 A450 | V396-W400 HydrophobicContact CG1-CE3 4.18Å; V396-W400 HydrophobicContact CG1-CZ3 4.14Å; A397-W400 HydrophobicContact CB-CB 4.08Å; A397-W400 PolarHBondContact O-N 3.02Å; W400-L402 PolarHBondContact O-N 3.48Å; W400-E403 PolarHBondContact O-N 2.98Å; W400-K404 HydrophobicContact CD2-CG 4.39Å; W400-K404 HydrophobicContact CZ2-CG 4.16Å; W400-K404 WeakPolarHBondContact O-CG 3.46Å; W400-K404 PolarHBondContact O-N 3.34Å; W400-E446 HydrophobicContact CH2-CB 4.43Å; W400-E446 HydrophobicContact CZ2-CB 4.36Å; W400-L447 HydrophobicContact CE3-CD1 4.39Å; W400-L447 HydrophobicContact CH2-CB 4.38Å; W400-L447 HydrophobicContact CZ3-CB 4.34Å; W400-L447 HydrophobicContact CZ3-CD1 3.76Å; W400-A450 HydrophobicContact CH2-CB 4.05Å; W400-A450 HydrophobicContact CZ3-CB 3.99Å |
| 401 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | F384 V396 A397 K398 E403 K404 L405 L447 | F384-A401 HydrophobicContact CD2-CB 3.82Å; F384-A401 HydrophobicContact CE1-CB 4.44Å; F384-A401 HydrophobicContact CE2-CB 3.25Å; F384-A401 HydrophobicContact CZ-CB 3.61Å; V396-A401 HydrophobicContact CG1-CB 4.11Å; A397-A401 PolarHBondContact O-N 3.47Å; K398-A401 PolarHBondContact O-N 2.99Å; A401-E403 VanDerWaalsContact C-N 3.33Å; A401-E403 PolarHBondContact O-N 3.48Å; A401-K404 PolarHBondContact O-N 2.92Å; A401-L405 WeakPolarHBondContact O-CG 3.18Å; A401-L405 PolarHBondContact O-N 2.82Å; A401-L447 HydrophobicContact CB-CD1 3.46Å; A401-L447 VanDerWaalsContact CB-CD1 3.46Å; A401-L447 HydrophobicContact CB-CD2 4.15Å; A401-L447 HydrophobicContact CB-CG 4.46Å |
| 402 | L | 96.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -35 | 178.1 | -175.7 | 63.1 | 0 | 0 | 0 | 112.2 | K398 D399 W400 L405 R406 P913 Y915 | K398-L402 WeakPolarHBondContact O-CB 3.41Å; K398-L402 PolarHBondContact O-N 2.85Å; D399-L402 PolarHBondContact O-N 3.48Å; W400-L402 PolarHBondContact O-N 3.48Å; L402-L405 PolarHBondContact O-N 2.91Å; L402-R406 WeakPolarHBondContact O-CB 3.24Å; L402-R406 PolarHBondContact O-N 3.31Å; L402-P913 HydrophobicContact CD2-CB 3.92Å; L402-P913 HydrophobicContact CD2-CG 3.86Å; L402-Y915 HydrophobicContact CB-CE1 4.09Å; L402-Y915 HydrophobicContact CD2-CE1 3.83Å |
| 403 | E | 96.5 | Very high | 95.5 | Very high | 126 Ų | 126 | 43.8 Ų | 43.8 | 59% | 0.589 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.5 | -45.8 | 173.8 | -173.3 | -175.5 | 170.6 | 0 | 0 | 111.6 | D399 W400 A401 L405 R406 A407 | D399-E403 WeakPolarHBondContact O-CB 3.29Å; D399-E403 PolarHBondContact O-N 3.5Å; W400-E403 PolarHBondContact O-N 2.98Å; A401-E403 VanDerWaalsContact C-N 3.33Å; A401-E403 PolarHBondContact O-N 3.48Å; E403-L405 PolarHBondContact O-N 3.2Å; E403-R406 PolarHBondContact O-N 3.07Å; E403-A407 PolarHBondContact O-N 3.37Å |
| 404 | K | 98.2 | Very high | 96.1 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 20% | 0.2 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 175.7 | -65.8 | -58.6 | -167.5 | 166.5 | 0 | 112.1 | W400 A401 L408 E446 L447 | W400-K404 HydrophobicContact CD2-CG 4.39Å; W400-K404 HydrophobicContact CZ2-CG 4.16Å; W400-K404 WeakPolarHBondContact O-CG 3.46Å; W400-K404 PolarHBondContact O-N 3.34Å; A401-K404 PolarHBondContact O-N 2.92Å; K404-L408 PolarHBondContact O-N 3.13Å; K404-E446 VanDerWaalsContact CE-OE2 3.26Å; K404-E446 WeakPolarHBondContact CE-OE2 3.27Å; K404-E446 IonicContact NZ-OE2 3.52Å; K404-E446 PolarHBondContact NZ-OE2 2.89Å; K404-L447 HydrophobicContact CB-CB 4.46Å |
| 405 | L | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 175.7 | -71.2 | 173.7 | 0 | 0 | 0 | 111.4 | L377 A380 E381 F384 A401 L402 E403 A407 L408 R409 L447 | L377-L405 HydrophobicContact CD1-CD2 4.2Å; A380-L405 HydrophobicContact CB-CD2 3.61Å; E381-L405 HydrophobicContact CG-CD2 4.09Å; F384-L405 HydrophobicContact CB-CD1 4.08Å; F384-L405 HydrophobicContact CD1-CD1 3.39Å; F384-L405 HydrophobicContact CE1-CD1 4.04Å; F384-L405 HydrophobicContact CG-CD1 3.91Å; A401-L405 WeakPolarHBondContact O-CG 3.18Å; A401-L405 PolarHBondContact O-N 2.82Å; L402-L405 PolarHBondContact O-N 2.91Å; E403-L405 PolarHBondContact O-N 3.2Å; L405-A407 VanDerWaalsContact C-N 3.33Å; L405-A407 PolarHBondContact O-N 3.03Å; L405-L408 PolarHBondContact O-N 3.05Å; L405-L408 VanDerWaalsContact O-N 3.17Å; L405-R409 WeakPolarHBondContact O-CG 3.48Å; L405-R409 PolarHBondContact O-N 3.01Å; L405-L447 HydrophobicContact CD1-CD2 4.06Å; L405-L447 HydrophobicContact CD2-CD2 3.87Å; L405-L447 HydrophobicContact CG-CD2 3.63Å |
| 406 | R | 97.7 | Very high | 97.1 | Very high | 81 Ų | 81 | 34.5 Ų | 34.5 | 31% | 0.306 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 179.5 | -175 | -173.7 | -64.1 | 152.7 | 0 | 111.9 | L402 E403 L408 R409 W410 | L402-R406 WeakPolarHBondContact O-CB 3.24Å; L402-R406 PolarHBondContact O-N 3.31Å; E403-R406 PolarHBondContact O-N 3.07Å; R406-L408 VanDerWaalsContact C-N 3.31Å; R406-L408 PolarHBondContact O-N 2.8Å; R406-R409 PolarHBondContact O-N 2.86Å; R406-W410 VanDerWaalsContact CD-CZ2 3.41Å; R406-W410 HydrophobicContact CG-CD2 3.92Å; R406-W410 VanDerWaalsContact CG-CE2 3.5Å; R406-W410 HydrophobicContact CG-CE3 4.41Å; R406-W410 HydrophobicContact CG-CG 4.44Å; R406-W410 HydrophobicContact CG-CH2 4.22Å; R406-W410 HydrophobicContact CG-CZ2 3.7Å; R406-W410 PolarHBondContact O-N 3.19Å |
| 407 | A | 98.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 41% | 0.405 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E403 L405 A411 | E403-A407 PolarHBondContact O-N 3.37Å; L405-A407 VanDerWaalsContact C-N 3.33Å; L405-A407 PolarHBondContact O-N 3.03Å; A407-A411 PolarHBondContact O-N 3.05Å; A407-A411 VanDerWaalsContact O-N 3.16Å |
| 408 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.9 | -38.1 | 176.5 | -176.8 | 55.7 | 0 | 0 | 0 | 112.6 | A373 L377 K404 L405 R406 W410 A411 V412 M441 A444 | A373-L408 HydrophobicContact CB-CD1 4.04Å; L377-L408 HydrophobicContact CB-CD2 3.71Å; L377-L408 HydrophobicContact CB-CG 3.99Å; L377-L408 HydrophobicContact CD1-CB 4.27Å; L377-L408 HydrophobicContact CD1-CD2 4.16Å; L377-L408 HydrophobicContact CD1-CG 4.14Å; L377-L408 HydrophobicContact CG-CD2 4.5Å; L377-L408 HydrophobicContact CG-CG 4.47Å; K404-L408 PolarHBondContact O-N 3.13Å; L405-L408 PolarHBondContact O-N 3.05Å; L405-L408 VanDerWaalsContact O-N 3.17Å; R406-L408 VanDerWaalsContact C-N 3.31Å; R406-L408 PolarHBondContact O-N 2.8Å; L408-W410 VanDerWaalsContact C-N 3.32Å; L408-W410 PolarHBondContact O-N 3.1Å; L408-A411 PolarHBondContact O-N 3.09Å; L408-V412 HydrophobicContact CD1-CG2 3.97Å; L408-V412 HydrophobicContact CG-CG2 4.32Å; L408-V412 WeakPolarHBondContact O-CG2 3.27Å; L408-V412 PolarHBondContact O-N 2.92Å; L408-M441 HydrophobicContact CD1-CG 4.03Å; L408-A444 HydrophobicContact CD2-CB 3.54Å |
| 409 | R | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.2 | -47.6 | 173.6 | -71.9 | 178 | -174.7 | 164.1 | 1.2 | 111.3 | L125 E129 L377 E381 L405 R406 V412 A413 I887 P888 | L125-R409 HydrophobicContact CD1-CB 4.33Å; L125-R409 HydrophobicContact CD1-CG 4.08Å; E129-R409 HydrophobicContact CG-CB 4.28Å; E129-R409 WeakPolarHBondContact OE1-CD 3.08Å; E129-R409 IonicContact OE1-NH1 3.66Å; L377-R409 HydrophobicContact CD1-CG 3.83Å; L377-R409 HydrophobicContact CD2-CB 4.46Å; L377-R409 HydrophobicContact CD2-CG 3.89Å; L377-R409 HydrophobicContact CG-CG 4.46Å; E381-R409 IonicContact OE1-CZ 2.87Å; E381-R409 IonicContact OE1-NE 3.64Å; E381-R409 PolarHBondContact OE1-NE 2.94Å; E381-R409 IonicContact OE1-NH2 3.64Å; E381-R409 PolarHBondContact OE1-NH2 3.44Å; L405-R409 WeakPolarHBondContact O-CG 3.48Å; L405-R409 PolarHBondContact O-N 3.01Å; R406-R409 PolarHBondContact O-N 2.86Å; R409-V412 PolarHBondContact O-N 2.76Å; R409-A413 WeakPolarHBondContact O-CB 3.43Å; R409-A413 PolarHBondContact O-N 2.99Å; R409-I887 PolarHBondContact NH1-O 3.48Å; R409-I887 PolarHBondContact NH2-O 3.01Å; R409-P888 PolarHBondContact NH1-O 2.94Å |
| 410 | W | 98.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 23.6 Ų | 23.6 | 31% | 0.311 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.4 | -40.2 | -180 | -69.1 | -9.4 | 0 | 0 | 0 | 112.3 | Q110 E129 R406 L408 A413 E414 | Q110-W410 PolarHBondContact NE2-O 2.83Å; Q110-W410 VanDerWaalsContact NE2-O 3.09Å; E129-W410 PolarHBondContact OE2-NE1 3.26Å; R406-W410 VanDerWaalsContact CD-CZ2 3.41Å; R406-W410 HydrophobicContact CG-CD2 3.92Å; R406-W410 VanDerWaalsContact CG-CE2 3.5Å; R406-W410 HydrophobicContact CG-CE3 4.41Å; R406-W410 HydrophobicContact CG-CG 4.44Å; R406-W410 HydrophobicContact CG-CH2 4.22Å; R406-W410 HydrophobicContact CG-CZ2 3.7Å; R406-W410 PolarHBondContact O-N 3.19Å; L408-W410 VanDerWaalsContact C-N 3.32Å; L408-W410 PolarHBondContact O-N 3.1Å; W410-A413 PolarHBondContact O-N 3.08Å; W410-E414 WeakPolarHBondContact O-CB 3.36Å; W410-E414 PolarHBondContact O-N 2.91Å |
| 411 | A | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 5% | 0.05 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.6 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A407 L408 V415 H436 L437 | A407-A411 PolarHBondContact O-N 3.05Å; A407-A411 VanDerWaalsContact O-N 3.16Å; L408-A411 PolarHBondContact O-N 3.09Å; A411-V415 PolarHBondContact O-N 2.97Å; A411-H436 HydrophobicContact CB-CB 4.08Å; A411-L437 HydrophobicContact CB-CD2 4.07Å |
| 412 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 175.4 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | D122 L125 A373 L377 L408 R409 V415 Q416 L437 | D122-V412 HydrophobicContact CB-CG1 4.27Å; D122-V412 WeakPolarHBondContact OD1-CG1 3.4Å; L125-V412 HydrophobicContact CD2-CB 3.94Å; L125-V412 HydrophobicContact CD2-CG1 3.68Å; A373-V412 HydrophobicContact CB-CG2 3.85Å; L377-V412 HydrophobicContact CD2-CB 4.4Å; L377-V412 HydrophobicContact CD2-CG2 4.25Å; L408-V412 HydrophobicContact CD1-CG2 3.97Å; L408-V412 HydrophobicContact CG-CG2 4.32Å; L408-V412 WeakPolarHBondContact O-CG2 3.27Å; L408-V412 PolarHBondContact O-N 2.92Å; R409-V412 PolarHBondContact O-N 2.76Å; V412-V415 WeakPolarHBondContact O-CG1 3.36Å; V412-Q416 VanDerWaalsContact O-CG 3.29Å; V412-Q416 WeakPolarHBondContact O-CG 3.34Å; V412-Q416 PolarHBondContact O-NE2 2.79Å; V412-L437 HydrophobicContact CG2-CD2 4.34Å |
| 413 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.7 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q110 V111 Q126 R409 W410 Q416 | Q110-A413 HydrophobicContact CB-CB 4.23Å; Q110-A413 HydrophobicContact CG-CB 4.44Å; V111-A413 WeakPolarHBondContact CG2-O 3.38Å; Q126-A413 HydrophobicContact CB-CB 3.54Å; R409-A413 WeakPolarHBondContact O-CB 3.43Å; R409-A413 PolarHBondContact O-N 2.99Å; W410-A413 PolarHBondContact O-N 3.08Å; A413-Q416 PolarHBondContact O-N 3.26Å |
| 414 | E | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 4% | 0.042 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.9 | -48.4 | 177.7 | 178.7 | -170.1 | 73.1 | 0 | 0 | 111.4 | V37 I43 W410 Q416 H417 Y433 H436 | V37-E414 HydrophobicContact CG1-CG 4.26Å; I43-E414 HydrophobicContact CD1-CG 3.95Å; I43-E414 WeakPolarHBondContact CD1-OE2 3.46Å; W410-E414 WeakPolarHBondContact O-CB 3.36Å; W410-E414 PolarHBondContact O-N 2.91Å; E414-Q416 PolarHBondContact O-N 3.13Å; E414-H417 WeakPolarHBondContact O-CB 3.13Å; E414-H417 PolarHBondContact O-N 3.09Å; E414-H417 VanDerWaalsContact O-N 3.15Å; E414-Y433 HydrophobicContact CG-CD1 4.1Å; E414-Y433 HydrophobicContact CG-CE1 3.88Å; E414-Y433 WeakPolarHBondContact OE1-CD1 3.46Å; E414-H436 IonicContact OE1-CE1 3.41Å; E414-H436 IonicContact OE1-CG 3.19Å; E414-H436 IonicContact OE1-ND1 2.87Å; E414-H436 PolarHBondContact OE1-ND1 3.27Å; E414-H436 IonicContact OE2-CE1 3.63Å; E414-H436 IonicContact OE2-ND1 3.6Å; E414-H436 PolarHBondContact OE2-ND1 2.8Å; E414-H436 VanDerWaalsContact OE2-ND1 3.13Å |
| 415 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11 | -177.6 | 76.4 | 0 | 0 | 0 | 0 | 113 | L366 A370 A411 V412 H417 A420 I421 Y433 L437 | L366-V415 HydrophobicContact CD1-CG2 4.05Å; L366-V415 HydrophobicContact CD2-CG2 4.46Å; L366-V415 HydrophobicContact CG-CG2 4.35Å; A370-V415 HydrophobicContact CB-CG1 3.84Å; A370-V415 HydrophobicContact CB-CG2 4.43Å; A411-V415 PolarHBondContact O-N 2.97Å; V412-V415 WeakPolarHBondContact O-CG1 3.36Å; V415-H417 PolarHBondContact O-N 2.76Å; V415-A420 HydrophobicContact CG2-CB 4.07Å; V415-A420 WeakPolarHBondContact O-CB 2.98Å; V415-I421 WeakPolarHBondContact O-CB 3.01Å; V415-I421 PolarHBondContact O-N 2.83Å; V415-Y433 HydrophobicContact CG2-CG 4.41Å; V415-L437 HydrophobicContact CB-CD1 4.27Å; V415-L437 HydrophobicContact CG1-CD1 4.26Å; V415-L437 HydrophobicContact CG1-CD2 4.1Å; V415-L437 HydrophobicContact CG2-CD1 4.14Å |
| 416 | Q | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.009 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.1 | 175.3 | -52.2 | -47.3 | -52.9 | 0 | 0 | 113.3 | V111 H113 D114 T118 D122 Q126 V412 A413 E414 | V111-Q416 HydrophobicContact CG2-CB 4.15Å; H113-Q416 CarbonylContact C-O 3.33Å; H113-Q416 WeakPolarHBondContact CA-O 3.25Å; H113-Q416 HydrophobicContact CB-CB 4.04Å; H113-Q416 WeakPolarHBondContact CB-O 3.34Å; D114-Q416 PolarHBondContact N-O 3.25Å; T118-Q416 HydrophobicContact CG2-CB 4.35Å; D122-Q416 VanDerWaalsContact CB-CD 3.42Å; D122-Q416 HydrophobicContact CB-CG 3.92Å; Q126-Q416 HydrophobicContact CG-CB 4.39Å; Q126-Q416 HydrophobicContact CG-CG 4.49Å; V412-Q416 VanDerWaalsContact O-CG 3.29Å; V412-Q416 WeakPolarHBondContact O-CG 3.34Å; V412-Q416 PolarHBondContact O-NE2 2.79Å; A413-Q416 PolarHBondContact O-N 3.26Å; E414-Q416 PolarHBondContact O-N 3.13Å |
| 417 | H | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | B | Isolated β-bridge | trans | -53.3 | 148 | 177.1 | 173.7 | -96.8 | 0 | 0 | 0 | 111.4 | D36 V37 G38 V111 E414 V415 D419 A420 I421 | D36-H417 IonicContact OD1-NE2 2.7Å; V37-H417 HydrophobicContact CB-CB 4.34Å; V37-H417 PolarHBondContact N-NE2 3.08Å; G38-H417 PolarHBondContact O-CE1 3.47Å; G38-H417 PolarHBondContact O-ND1 2.71Å; V111-H417 HydrophobicContact CB-CB 4Å; V111-H417 HydrophobicContact CG1-CB 4.08Å; V111-H417 HydrophobicContact CG2-CB 4.31Å; E414-H417 WeakPolarHBondContact O-CB 3.13Å; E414-H417 PolarHBondContact O-N 3.09Å; E414-H417 VanDerWaalsContact O-N 3.15Å; V415-H417 PolarHBondContact O-N 2.76Å; H417-D419 PolarHBondContact CE1-N 2.93Å; H417-D419 VanDerWaalsContact CE1-N 3.31Å; H417-D419 IonicContact CE1-OD2 3.16Å; H417-D419 PolarHBondContact CE1-OD2 3.37Å; H417-D419 PolarHBondContact ND1-N 3.13Å; H417-D419 PolarHBondContact O-N 3.13Å; H417-D419 VanDerWaalsContact O-N 3.11Å; H417-A420 HydrophobicContact CB-CB 4.1Å; H417-A420 WeakPolarHBondContact O-CB 3.41Å; H417-A420 PolarHBondContact O-N 2.66Å; H417-I421 PolarHBondContact O-N 2.96Å |
| 418 | H | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -5.7 | -172.7 | 55.4 | -93.8 | 0 | 0 | 0 | 115.8 | H34 D36 M112 D114 D149 F151 T422 | H34-H418 AromaticContact CE1-CE1 3.61Å; H34-H418 AromaticContact CE1-NE2 3.84Å; H34-H418 AromaticContact NE2-CE1 3.82Å; H34-H418 AromaticContact NE2-NE2 3.59Å; D36-H418 IonicContact OD1-NE2 2.74Å; D36-H418 PolarHBondContact OD1-NE2 3.22Å; M112-H418 PolarHBondContact O-N 2.97Å; M112-H418 PolarHBondContact O-ND1 2.83Å; D114-H418 HydrophobicContact CB-CB 4.18Å; D149-H418 IonicContact OD2-CD2 3.37Å; D149-H418 IonicContact OD2-NE2 3.89Å; F151-H418 WeakPolarHBondContact CE2-O 3.13Å; F151-H418 WeakPolarHBondContact CZ-O 3.33Å; H418-T422 WeakPolarHBondContact O-CB 3.39Å; H418-T422 WeakPolarHBondContact O-CG2 3.35Å; H418-T422 PolarHBondContact O-OG1 2.83Å |
| 419 | D | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -5.8 | 165.2 | -69 | -67.3 | 0 | 0 | 0 | 115 | W39 H417 T422 T424 E425 Y640 | W39-D419 HydrophobicContact CB-CB 3.88Å; W39-D419 HydrophobicContact CG-CB 4.09Å; H417-D419 PolarHBondContact CE1-N 2.93Å; H417-D419 VanDerWaalsContact CE1-N 3.31Å; H417-D419 IonicContact CE1-OD2 3.16Å; H417-D419 PolarHBondContact CE1-OD2 3.37Å; H417-D419 PolarHBondContact ND1-N 3.13Å; H417-D419 PolarHBondContact O-N 3.13Å; H417-D419 VanDerWaalsContact O-N 3.11Å; D419-T422 VanDerWaalsContact C-OG1 3.3Å; D419-T422 VanDerWaalsContact CA-OG1 3.31Å; D419-T422 WeakPolarHBondContact CA-OG1 3.16Å; D419-T424 VanDerWaalsContact CA-OG1 3.26Å; D419-T424 WeakPolarHBondContact CA-OG1 3.36Å; D419-T424 PolarHBondContact O-N 2.82Å; D419-T424 PolarHBondContact OD1-OG1 2.95Å; D419-E425 WeakPolarHBondContact O-CB 3.46Å; D419-E425 PolarHBondContact O-N 2.82Å; D419-E425 VanDerWaalsContact O-N 3.14Å; D419-Y640 PolarHBondContact OD1-OH 2.91Å |
| 420 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -78.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L366 V415 H417 T422 G423 Y433 | L366-A420 WeakPolarHBondContact CD2-O 3.26Å; V415-A420 HydrophobicContact CG2-CB 4.07Å; V415-A420 WeakPolarHBondContact O-CB 2.98Å; H417-A420 HydrophobicContact CB-CB 4.1Å; H417-A420 WeakPolarHBondContact O-CB 3.41Å; H417-A420 PolarHBondContact O-N 2.66Å; A420-T422 PolarHBondContact O-N 3.13Å; A420-T422 VanDerWaalsContact O-N 3.11Å; A420-G423 PolarHBondContact O-N 2.91Å; A420-Y433 HydrophobicContact CB-CD1 4.41Å; A420-Y433 HydrophobicContact CB-CD2 3.89Å; A420-Y433 HydrophobicContact CB-CE1 3.93Å; A420-Y433 HydrophobicContact CB-CE2 3.32Å; A420-Y433 HydrophobicContact CB-CG 4.4Å |
| 421 | I | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.9 | -178.9 | -170.2 | 63.9 | 0 | 0 | 0 | 112.4 | D114 V117 T118 K367 A370 V415 H417 G423 | D114-I421 HydrophobicContact CB-CG2 3.96Å; V117-I421 HydrophobicContact CG2-CG1 4.12Å; V117-I421 HydrophobicContact CG2-CG2 4.07Å; T118-I421 HydrophobicContact CG2-CG2 3.81Å; K367-I421 HydrophobicContact CB-CD1 4.4Å; K367-I421 VanDerWaalsContact CE-O 3.28Å; K367-I421 WeakPolarHBondContact CE-O 3.44Å; K367-I421 HydrophobicContact CG-CD1 4.05Å; K367-I421 WeakPolarHBondContact CG-O 3.47Å; K367-I421 PolarHBondContact NZ-O 3.35Å; A370-I421 HydrophobicContact CB-CD1 3.73Å; V415-I421 WeakPolarHBondContact O-CB 3.01Å; V415-I421 PolarHBondContact O-N 2.83Å; H417-I421 PolarHBondContact O-N 2.96Å; I421-G423 VanDerWaalsContact C-N 3.26Å; I421-G423 PolarHBondContact O-N 3.13Å |
| 422 | T | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.7 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | D114 V117 F151 F359 K367 H418 D419 A420 T424 | D114-T422 HydrophobicContact CB-CG2 3.62Å; V117-T422 HydrophobicContact CG2-CG2 4.12Å; F151-T422 HydrophobicContact CD2-CG2 4.32Å; F151-T422 HydrophobicContact CE2-CG2 4.23Å; F359-T422 HydrophobicContact CD2-CG2 3.61Å; F359-T422 HydrophobicContact CE2-CG2 3.67Å; K367-T422 VanDerWaalsContact NZ-C 3.29Å; K367-T422 PolarHBondContact NZ-O 3.5Å; H418-T422 WeakPolarHBondContact O-CB 3.39Å; H418-T422 WeakPolarHBondContact O-CG2 3.35Å; H418-T422 PolarHBondContact O-OG1 2.83Å; D419-T422 VanDerWaalsContact C-OG1 3.3Å; D419-T422 VanDerWaalsContact CA-OG1 3.31Å; D419-T422 WeakPolarHBondContact CA-OG1 3.16Å; A420-T422 PolarHBondContact O-N 3.13Å; A420-T422 VanDerWaalsContact O-N 3.11Å; T422-T424 PolarHBondContact OG1-OG1 3Å |
| 423 | G | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 31.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A420 I421 E425 | A420-G423 PolarHBondContact O-N 2.91Å; I421-G423 VanDerWaalsContact C-N 3.26Å; I421-G423 PolarHBondContact O-N 3.13Å; G423-E425 WeakPolarHBondContact CA-OE2 3.45Å |
| 424 | T | 97.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -104.8 | 0.5 | -176 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | F151 F359 D419 T422 N639 Y640 | F151-T424 HydrophobicContact CE2-CG2 4.12Å; F359-T424 HydrophobicContact CB-CG2 3.87Å; D419-T424 VanDerWaalsContact CA-OG1 3.26Å; D419-T424 WeakPolarHBondContact CA-OG1 3.36Å; D419-T424 PolarHBondContact O-N 2.82Å; D419-T424 PolarHBondContact OD1-OG1 2.95Å; T422-T424 PolarHBondContact OG1-OG1 3Å; T424-N639 HydrophobicContact CG2-CB 4.3Å; T424-Y640 VanDerWaalsContact CB-CZ 3.43Å; T424-Y640 HydrophobicContact CG2-CD1 3.28Å; T424-Y640 HydrophobicContact CG2-CD2 4.36Å; T424-Y640 HydrophobicContact CG2-CE1 3.37Å; T424-Y640 HydrophobicContact CG2-CE2 4.4Å; T424-Y640 HydrophobicContact CG2-CG 3.83Å; T424-Y640 PolarHBondContact O-OH 3.28Å | ||
| 425 | E | 97.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -73.4 | 167.6 | 172.9 | 80.2 | -69.2 | -162.3 | 0 | 0 | 114 | W39 R363 L366 D419 G423 V429 A430 Y433 | W39-E425 CarbonylContact O-C 3.52Å; W39-E425 WeakPolarHBondContact O-CA 3.38Å; W39-E425 WeakPolarHBondContact O-CB 3.38Å; R363-E425 VanDerWaalsContact CD-CD 3.5Å; R363-E425 WeakPolarHBondContact CD-OE1 3.18Å; R363-E425 WeakPolarHBondContact CD-OE2 3.17Å; R363-E425 IonicContact CZ-OE1 3.85Å; R363-E425 IonicContact CZ-OE2 3.37Å; R363-E425 IonicContact NE-OE1 2.62Å; R363-E425 PolarHBondContact NE-OE1 3.49Å; R363-E425 IonicContact NE-OE2 2.72Å; R363-E425 PolarHBondContact NE-OE2 2.8Å; R363-E425 PolarHBondContact NH2-O 2.89Å; L366-E425 VanDerWaalsContact CD2-OE1 3.28Å; L366-E425 WeakPolarHBondContact CD2-OE1 3.23Å; D419-E425 WeakPolarHBondContact O-CB 3.46Å; D419-E425 PolarHBondContact O-N 2.82Å; D419-E425 VanDerWaalsContact O-N 3.14Å; G423-E425 WeakPolarHBondContact CA-OE2 3.45Å; E425-V429 HydrophobicContact CB-CB 3.97Å; E425-V429 HydrophobicContact CB-CG1 3.93Å; E425-V429 HydrophobicContact CG-CB 3.88Å; E425-V429 HydrophobicContact CG-CG1 3.97Å; E425-A430 HydrophobicContact CG-CB 3.94Å; E425-A430 VanDerWaalsContact OE1-CA 3.28Å; E425-A430 WeakPolarHBondContact OE1-CA 3.25Å; E425-A430 WeakPolarHBondContact OE1-CB 3.34Å; E425-Y433 HydrophobicContact CB-CE2 4.39Å; E425-Y433 HydrophobicContact CG-CD2 4.3Å; E425-Y433 HydrophobicContact CG-CE2 3.97Å |
| 426 | S | 96 | Very high | 97.8 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | trans | -75.4 | 156.5 | 172.8 | 78.7 | 0 | 0 | 0 | 0 | 111.7 | W39 V40 K428 V429 A430 | W39-S426 PolarHBondContact O-N 3.48Å; V40-S426 PolarHBondContact O-OG 2.78Å; S426-K428 VanDerWaalsContact C-N 3.27Å; S426-K428 PolarHBondContact O-N 3.03Å; S426-K428 VanDerWaalsContact O-N 3.14Å; S426-K428 VanDerWaalsContact OG-CG 3.31Å; S426-K428 WeakPolarHBondContact OG-CG 3.45Å; S426-V429 PolarHBondContact O-N 3.13Å; S426-A430 PolarHBondContact O-N 2.97Å | ||
| 427 | P | 94.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 26.3 Ų | 26.3 | 33% | 0.325 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -53 | -37.3 | -178.1 | -30.2 | 35.7 | 0 | 0 | 0 | 115.4 | V429 A430 E431 N810 | P427-V429 VanDerWaalsContact C-N 3.32Å; P427-V429 PolarHBondContact O-N 2.96Å; P427-A430 WeakPolarHBondContact O-CB 3.16Å; P427-A430 PolarHBondContact O-N 3.36Å; P427-E431 PolarHBondContact O-N 2.84Å; P427-N810 WeakPolarHBondContact CD-O 3.21Å |
| 428 | K | 95.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 30.1 Ų | 30.1 | 35% | 0.348 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.8 | -32.1 | 178.4 | 61.9 | 169.6 | -179.1 | 173.3 | 0 | 112.8 | V40 E45 S426 M432 | V40-K428 WeakPolarHBondContact O-CE 3.41Å; E45-K428 IonicContact OE1-NZ 3.82Å; E45-K428 PolarHBondContact OE1-NZ 3.08Å; E45-K428 WeakPolarHBondContact OE2-CE 3.43Å; E45-K428 IonicContact OE2-NZ 3.39Å; E45-K428 PolarHBondContact OE2-NZ 2.89Å; S426-K428 VanDerWaalsContact C-N 3.27Å; S426-K428 PolarHBondContact O-N 3.03Å; S426-K428 VanDerWaalsContact O-N 3.14Å; S426-K428 VanDerWaalsContact OG-CG 3.31Å; S426-K428 WeakPolarHBondContact OG-CG 3.45Å; K428-M432 PolarHBondContact O-N 3.23Å |
| 429 | V | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77.4 | -38 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | W39 Y41 T42 E425 S426 P427 E431 M432 Y433 | W39-V429 VanDerWaalsContact O-CG2 3.27Å; W39-V429 WeakPolarHBondContact O-CG2 3.21Å; Y41-V429 WeakPolarHBondContact O-CG2 3.46Å; T42-V429 HydrophobicContact CG2-CG2 4.22Å; E425-V429 HydrophobicContact CB-CB 3.97Å; E425-V429 HydrophobicContact CB-CG1 3.93Å; E425-V429 HydrophobicContact CG-CB 3.88Å; E425-V429 HydrophobicContact CG-CG1 3.97Å; S426-V429 PolarHBondContact O-N 3.13Å; P427-V429 VanDerWaalsContact C-N 3.32Å; P427-V429 PolarHBondContact O-N 2.96Å; V429-E431 VanDerWaalsContact C-N 3.26Å; V429-E431 PolarHBondContact O-N 3.19Å; V429-M432 HydrophobicContact CG1-CE 3.92Å; V429-M432 WeakPolarHBondContact O-CB 3.21Å; V429-M432 PolarHBondContact O-N 3.06Å; V429-M432 VanDerWaalsContact O-N 3.11Å; V429-Y433 HydrophobicContact CG1-CD2 4.18Å; V429-Y433 HydrophobicContact CG1-CE2 3.48Å; V429-Y433 VanDerWaalsContact CG1-CE2 3.48Å; V429-Y433 WeakPolarHBondContact O-CD2 3.46Å; V429-Y433 PolarHBondContact O-N 2.88Å |
| 430 | A | 97 | Very high | 97.8 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 7% | 0.066 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E425 S426 P427 Y433 M434 | E425-A430 HydrophobicContact CG-CB 3.94Å; E425-A430 VanDerWaalsContact OE1-CA 3.28Å; E425-A430 WeakPolarHBondContact OE1-CA 3.25Å; E425-A430 WeakPolarHBondContact OE1-CB 3.34Å; S426-A430 PolarHBondContact O-N 2.97Å; P427-A430 WeakPolarHBondContact O-CB 3.16Å; P427-A430 PolarHBondContact O-N 3.36Å; A430-Y433 PolarHBondContact O-N 2.84Å; A430-M434 WeakPolarHBondContact O-CB 3.14Å; A430-M434 VanDerWaalsContact O-CG 3.26Å; A430-M434 WeakPolarHBondContact O-CG 3.39Å; A430-M434 PolarHBondContact O-N 2.59Å |
| 431 | E | 97.4 | Very high | 97.8 | Very high | 139 Ų | 139 | 36.3 Ų | 36.3 | 65% | 0.65 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -64.4 | -40.3 | 175.3 | -174 | 170.7 | -160 | 0 | 0 | 112.4 | P427 V429 M434 Q435 | P427-E431 PolarHBondContact O-N 2.84Å; V429-E431 VanDerWaalsContact C-N 3.26Å; V429-E431 PolarHBondContact O-N 3.19Å; E431-M434 PolarHBondContact O-N 2.96Å; E431-Q435 WeakPolarHBondContact O-CB 3.14Å; E431-Q435 PolarHBondContact O-N 3.4Å |
| 432 | M | 98.6 | Very high | 97.8 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -51.4 | 173.6 | 177.5 | -166 | 76.5 | 0 | 0 | 111.5 | T42 I43 K428 V429 M434 Q435 H436 | T42-M432 VanDerWaalsContact CB-SD 3.55Å; T42-M432 HydrophobicContact CG2-CB 4.42Å; T42-M432 HydrophobicContact CG2-SD 4.01Å; I43-M432 HydrophobicContact CB-SD 4.31Å; I43-M432 HydrophobicContact CD1-CE 3.82Å; I43-M432 HydrophobicContact CD1-SD 4.33Å; I43-M432 HydrophobicContact CG1-CE 3.93Å; I43-M432 HydrophobicContact CG1-SD 4.25Å; K428-M432 PolarHBondContact O-N 3.23Å; V429-M432 HydrophobicContact CG1-CE 3.92Å; V429-M432 WeakPolarHBondContact O-CB 3.21Å; V429-M432 PolarHBondContact O-N 3.06Å; V429-M432 VanDerWaalsContact O-N 3.11Å; M432-M434 VanDerWaalsContact C-N 3.34Å; M432-M434 PolarHBondContact O-N 3.15Å; M432-Q435 WeakPolarHBondContact O-CB 3.47Å; M432-Q435 PolarHBondContact O-N 3.44Å; M432-H436 PolarHBondContact O-CD2 2.88Å; M432-H436 PolarHBondContact O-N 3.45Å |
| 433 | Y | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 178 | -62.2 | -49.7 | 0 | 0 | 0 | 112 | V37 G38 L366 E414 V415 A420 E425 V429 A430 Q435 H436 L437 | V37-Y433 PolarHBondContact O-OH 2.93Å; G38-Y433 VanDerWaalsContact C-OH 3.26Å; G38-Y433 WeakPolarHBondContact CA-OH 3.39Å; G38-Y433 PolarHBondContact O-OH 2.8Å; L366-Y433 HydrophobicContact CD2-CD2 4.41Å; E414-Y433 HydrophobicContact CG-CD1 4.1Å; E414-Y433 HydrophobicContact CG-CE1 3.88Å; E414-Y433 WeakPolarHBondContact OE1-CD1 3.46Å; V415-Y433 HydrophobicContact CG2-CG 4.41Å; A420-Y433 HydrophobicContact CB-CD1 4.41Å; A420-Y433 HydrophobicContact CB-CD2 3.89Å; A420-Y433 HydrophobicContact CB-CE1 3.93Å; A420-Y433 HydrophobicContact CB-CE2 3.32Å; A420-Y433 HydrophobicContact CB-CG 4.4Å; E425-Y433 HydrophobicContact CB-CE2 4.39Å; E425-Y433 HydrophobicContact CG-CD2 4.3Å; E425-Y433 HydrophobicContact CG-CE2 3.97Å; V429-Y433 HydrophobicContact CG1-CD2 4.18Å; V429-Y433 HydrophobicContact CG1-CE2 3.48Å; V429-Y433 VanDerWaalsContact CG1-CE2 3.48Å; V429-Y433 WeakPolarHBondContact O-CD2 3.46Å; V429-Y433 PolarHBondContact O-N 2.88Å; A430-Y433 PolarHBondContact O-N 2.84Å; Y433-Q435 VanDerWaalsContact C-N 3.31Å; Y433-Q435 PolarHBondContact O-N 3.24Å; Y433-H436 PolarHBondContact O-N 3.37Å; Y433-L437 WeakPolarHBondContact O-CB 3.15Å; Y433-L437 VanDerWaalsContact O-CG 3.26Å; Y433-L437 WeakPolarHBondContact O-CG 3.22Å; Y433-L437 PolarHBondContact O-N 2.86Å |
| 434 | M | 98.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 22% | 0.222 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -44.9 | 176 | -76.5 | -68.3 | -59.2 | 0 | 0 | 111.4 | V365 L366 V369 A430 E431 M432 L438 | V365-M434 HydrophobicContact CG1-CE 4.44Å; L366-M434 HydrophobicContact CB-SD 4.41Å; L366-M434 HydrophobicContact CD1-CG 4.08Å; L366-M434 HydrophobicContact CD1-SD 3.82Å; V369-M434 HydrophobicContact CB-CE 4.38Å; V369-M434 HydrophobicContact CB-SD 3.95Å; V369-M434 HydrophobicContact CG1-CE 4.29Å; V369-M434 HydrophobicContact CG1-SD 4.05Å; V369-M434 HydrophobicContact CG2-CE 3.67Å; V369-M434 HydrophobicContact CG2-SD 3.75Å; A430-M434 WeakPolarHBondContact O-CB 3.14Å; A430-M434 VanDerWaalsContact O-CG 3.26Å; A430-M434 WeakPolarHBondContact O-CG 3.39Å; A430-M434 PolarHBondContact O-N 2.59Å; E431-M434 PolarHBondContact O-N 2.96Å; M432-M434 VanDerWaalsContact C-N 3.34Å; M432-M434 PolarHBondContact O-N 3.15Å; M434-L438 HydrophobicContact CE-CD1 4.25Å; M434-L438 WeakPolarHBondContact O-CB 3.36Å; M434-L438 WeakPolarHBondContact O-CD1 3.39Å; M434-L438 WeakPolarHBondContact O-CG 3.36Å; M434-L438 PolarHBondContact O-N 3.29Å |
| 435 | Q | 98.6 | Very high | 97.7 | Very high | 130 Ų | 130 | 44.6 Ų | 44.6 | 61% | 0.607 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.2 | -48.1 | 178 | -177 | -177.8 | -8.8 | 0 | 0 | 111.6 | E431 M432 Y433 L437 L438 Q439 | E431-Q435 WeakPolarHBondContact O-CB 3.14Å; E431-Q435 PolarHBondContact O-N 3.4Å; M432-Q435 WeakPolarHBondContact O-CB 3.47Å; M432-Q435 PolarHBondContact O-N 3.44Å; Y433-Q435 VanDerWaalsContact C-N 3.31Å; Y433-Q435 PolarHBondContact O-N 3.24Å; Q435-L437 PolarHBondContact O-N 3.39Å; Q435-L438 PolarHBondContact O-N 3.34Å; Q435-Q439 VanDerWaalsContact O-CB 3.28Å; Q435-Q439 WeakPolarHBondContact O-CB 3.17Å; Q435-Q439 PolarHBondContact O-N 2.86Å |
| 436 | H | 98.7 | Very high | 97.6 | Very high | 69 Ų | 69 | 48.9 Ų | 48.9 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -46 | 179.6 | -66.5 | 176.9 | 0 | 0 | 0 | 111.8 | A411 E414 M432 Y433 G440 | A411-H436 HydrophobicContact CB-CB 4.08Å; E414-H436 IonicContact OE1-CE1 3.41Å; E414-H436 IonicContact OE1-CG 3.19Å; E414-H436 IonicContact OE1-ND1 2.87Å; E414-H436 PolarHBondContact OE1-ND1 3.27Å; E414-H436 IonicContact OE2-CE1 3.63Å; E414-H436 IonicContact OE2-ND1 3.6Å; E414-H436 PolarHBondContact OE2-ND1 2.8Å; E414-H436 VanDerWaalsContact OE2-ND1 3.13Å; M432-H436 PolarHBondContact O-CD2 2.88Å; M432-H436 PolarHBondContact O-N 3.45Å; Y433-H436 PolarHBondContact O-N 3.37Å; H436-G440 PolarHBondContact O-N 2.95Å |
| 437 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 178.2 | -69.9 | 167.8 | 0 | 0 | 0 | 112.1 | L366 V369 A370 A373 A411 V412 V415 Y433 Q435 G440 M441 | L366-L437 HydrophobicContact CD1-CD1 3.96Å; V369-L437 HydrophobicContact CG1-CB 4.07Å; V369-L437 HydrophobicContact CG1-CD1 4.11Å; A370-L437 HydrophobicContact CB-CD1 4.33Å; A373-L437 HydrophobicContact CB-CD2 3.72Å; A411-L437 HydrophobicContact CB-CD2 4.07Å; V412-L437 HydrophobicContact CG2-CD2 4.34Å; V415-L437 HydrophobicContact CB-CD1 4.27Å; V415-L437 HydrophobicContact CG1-CD1 4.26Å; V415-L437 HydrophobicContact CG1-CD2 4.1Å; V415-L437 HydrophobicContact CG2-CD1 4.14Å; Y433-L437 WeakPolarHBondContact O-CB 3.15Å; Y433-L437 VanDerWaalsContact O-CG 3.26Å; Y433-L437 WeakPolarHBondContact O-CG 3.22Å; Y433-L437 PolarHBondContact O-N 2.86Å; Q435-L437 PolarHBondContact O-N 3.39Å; L437-G440 PolarHBondContact O-N 3.28Å; L437-M441 WeakPolarHBondContact O-CB 3.36Å; L437-M441 WeakPolarHBondContact O-CG 3.09Å; L437-M441 PolarHBondContact O-N 3.17Å |
| 438 | L | 98.7 | Very high | 97.7 | Very high | 79 Ų | 79 | 46.3 Ų | 46.3 | 41% | 0.414 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 179.8 | -70 | 171 | 0 | 0 | 0 | 111.4 | M434 Q435 M441 M442 | M434-L438 HydrophobicContact CE-CD1 4.25Å; M434-L438 WeakPolarHBondContact O-CB 3.36Å; M434-L438 WeakPolarHBondContact O-CD1 3.39Å; M434-L438 WeakPolarHBondContact O-CG 3.36Å; M434-L438 PolarHBondContact O-N 3.29Å; Q435-L438 PolarHBondContact O-N 3.34Å; L438-M441 HydrophobicContact CD2-CE 3.76Å; L438-M441 HydrophobicContact CG-CE 4.46Å; L438-M441 PolarHBondContact O-N 2.73Å; L438-M442 WeakPolarHBondContact O-CG 3.38Å; L438-M442 PolarHBondContact O-N 2.81Å |
| 439 | Q | 98.5 | Very high | 97.5 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 53% | 0.533 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.2 | -174.8 | 60.6 | 46.4 | 0 | 0 | 112 | Q435 M442 G443 | Q435-Q439 VanDerWaalsContact O-CB 3.28Å; Q435-Q439 WeakPolarHBondContact O-CB 3.17Å; Q435-Q439 PolarHBondContact O-N 2.86Å; Q439-M442 PolarHBondContact O-N 3.38Å; Q439-G443 PolarHBondContact O-N 3.13Å; Q439-G443 VanDerWaalsContact O-N 3.1Å |
| 440 | G | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H436 L437 G443 A444 | H436-G440 PolarHBondContact O-N 2.95Å; L437-G440 PolarHBondContact O-N 3.28Å; G440-G443 PolarHBondContact O-N 3.22Å; G440-A444 PolarHBondContact O-N 3.01Å |
| 441 | M | 98.5 | Very high | 97 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.9 | -77.3 | -172.5 | -67.4 | 0 | 0 | 111.9 | V369 R372 A373 R376 L408 L437 L438 G443 A444 E445 | V369-M441 HydrophobicContact CG1-CE 3.98Å; R372-M441 HydrophobicContact CB-SD 4.46Å; A373-M441 VanDerWaalsContact CA-SD 3.56Å; A373-M441 HydrophobicContact CB-CE 4.44Å; A373-M441 HydrophobicContact CB-CG 3.91Å; A373-M441 HydrophobicContact CB-SD 3.85Å; R376-M441 HydrophobicContact CB-CG 4.4Å; R376-M441 HydrophobicContact CG-CG 4.48Å; R376-M441 HydrophobicContact CG-SD 4.31Å; L408-M441 HydrophobicContact CD1-CG 4.03Å; L437-M441 WeakPolarHBondContact O-CB 3.36Å; L437-M441 WeakPolarHBondContact O-CG 3.09Å; L437-M441 PolarHBondContact O-N 3.17Å; L438-M441 HydrophobicContact CD2-CE 3.76Å; L438-M441 HydrophobicContact CG-CE 4.46Å; L438-M441 PolarHBondContact O-N 2.73Å; M441-G443 VanDerWaalsContact C-N 3.29Å; M441-G443 PolarHBondContact O-N 2.94Å; M441-A444 PolarHBondContact O-N 2.87Å; M441-A444 VanDerWaalsContact O-N 3.17Å; M441-E445 WeakPolarHBondContact O-CG 3.19Å; M441-E445 PolarHBondContact O-N 3.4Å |
| 442 | M | 97.9 | Very high | 96.5 | Very high | 98 Ų | 98 | 37.8 Ų | 37.8 | 48% | 0.483 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 174.6 | -71.6 | 172 | 61.9 | 0 | 0 | 111.4 | L438 Q439 A444 E445 E446 | L438-M442 WeakPolarHBondContact O-CG 3.38Å; L438-M442 PolarHBondContact O-N 2.81Å; Q439-M442 PolarHBondContact O-N 3.38Å; M442-A444 PolarHBondContact O-N 3.37Å; M442-E445 PolarHBondContact O-N 3.17Å; M442-E446 WeakPolarHBondContact O-CG 3.34Å; M442-E446 PolarHBondContact O-N 2.92Å |
| 443 | G | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q439 G440 M441 L447 | Q439-G443 PolarHBondContact O-N 3.13Å; Q439-G443 VanDerWaalsContact O-N 3.1Å; G440-G443 PolarHBondContact O-N 3.22Å; M441-G443 VanDerWaalsContact C-N 3.29Å; M441-G443 PolarHBondContact O-N 2.94Å; G443-L447 PolarHBondContact O-N 2.85Å; G443-L447 VanDerWaalsContact O-N 3.12Å |
| 444 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.6 | -35.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A380 L408 G440 M441 M442 L447 L448 | A380-A444 HydrophobicContact CB-CB 4.16Å; L408-A444 HydrophobicContact CD2-CB 3.54Å; G440-A444 PolarHBondContact O-N 3.01Å; M441-A444 PolarHBondContact O-N 2.87Å; M441-A444 VanDerWaalsContact O-N 3.17Å; M442-A444 PolarHBondContact O-N 3.37Å; A444-L447 WeakPolarHBondContact O-CB 3.36Å; A444-L447 PolarHBondContact O-N 3.37Å; A444-L448 VanDerWaalsContact O-CG 3.31Å; A444-L448 WeakPolarHBondContact O-CG 3.34Å; A444-L448 PolarHBondContact O-N 3.21Å |
| 445 | E | 95.5 | Very high | 93.5 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.4 | -38.3 | 174.4 | -73 | -178 | 174.7 | 0 | 0 | 112 | R376 M441 M442 L447 L448 A449 F849 | R376-E445 IonicContact NE-OE1 3.16Å; M441-E445 WeakPolarHBondContact O-CG 3.19Å; M441-E445 PolarHBondContact O-N 3.4Å; M442-E445 PolarHBondContact O-N 3.17Å; E445-L447 VanDerWaalsContact C-N 3.33Å; E445-L447 PolarHBondContact O-N 2.99Å; E445-L448 PolarHBondContact O-N 3.2Å; E445-A449 WeakPolarHBondContact O-CB 3.29Å; E445-A449 PolarHBondContact O-N 2.75Å; E445-F849 HydrophobicContact CG-CE2 4.33Å; E445-F849 HydrophobicContact CG-CZ 4.41Å |
| 446 | E | 96.1 | Very high | 92 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 169.7 | -74.1 | 173.2 | -167.8 | 0 | 0 | 111.6 | W400 K404 M442 A449 A450 | W400-E446 HydrophobicContact CH2-CB 4.43Å; W400-E446 HydrophobicContact CZ2-CB 4.36Å; K404-E446 VanDerWaalsContact CE-OE2 3.26Å; K404-E446 WeakPolarHBondContact CE-OE2 3.27Å; K404-E446 IonicContact NZ-OE2 3.52Å; K404-E446 PolarHBondContact NZ-OE2 2.89Å; M442-E446 WeakPolarHBondContact O-CG 3.34Å; M442-E446 PolarHBondContact O-N 2.92Å; E446-A449 PolarHBondContact O-N 3.42Å; E446-A450 PolarHBondContact O-N 3.08Å |
| 447 | L | 97.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 175.7 | 172.8 | 59.1 | 0 | 0 | 0 | 111.3 | F384 V396 W400 A401 K404 L405 G443 A444 E445 A449 A450 L451 | F384-L447 HydrophobicContact CB-CD2 4.44Å; F384-L447 HydrophobicContact CD2-CD1 4.38Å; V396-L447 HydrophobicContact CG1-CD1 4.06Å; W400-L447 HydrophobicContact CE3-CD1 4.39Å; W400-L447 HydrophobicContact CH2-CB 4.38Å; W400-L447 HydrophobicContact CZ3-CB 4.34Å; W400-L447 HydrophobicContact CZ3-CD1 3.76Å; A401-L447 HydrophobicContact CB-CD1 3.46Å; A401-L447 VanDerWaalsContact CB-CD1 3.46Å; A401-L447 HydrophobicContact CB-CD2 4.15Å; A401-L447 HydrophobicContact CB-CG 4.46Å; K404-L447 HydrophobicContact CB-CB 4.46Å; L405-L447 HydrophobicContact CD1-CD2 4.06Å; L405-L447 HydrophobicContact CD2-CD2 3.87Å; L405-L447 HydrophobicContact CG-CD2 3.63Å; G443-L447 PolarHBondContact O-N 2.85Å; G443-L447 VanDerWaalsContact O-N 3.12Å; A444-L447 WeakPolarHBondContact O-CB 3.36Å; A444-L447 PolarHBondContact O-N 3.37Å; E445-L447 VanDerWaalsContact C-N 3.33Å; E445-L447 PolarHBondContact O-N 2.99Å; L447-A449 VanDerWaalsContact C-N 3.28Å; L447-A449 PolarHBondContact O-N 3.43Å; L447-A450 WeakPolarHBondContact O-CB 3.39Å; L447-A450 PolarHBondContact O-N 2.95Å; L447-A450 VanDerWaalsContact O-N 3.08Å; L447-L451 HydrophobicContact CD1-CD1 3.93Å; L447-L451 HydrophobicContact CD1-CD2 4.18Å; L447-L451 HydrophobicContact CD1-CG 3.87Å; L447-L451 HydrophobicContact CG-CD1 3.88Å; L447-L451 HydrophobicContact CG-CG 4.29Å; L447-L451 VanDerWaalsContact O-CG 3.26Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 3.47Å |
| 448 | L | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.2 | -43.7 | 177.4 | -73.7 | 169.9 | 0 | 0 | 0 | 111.2 | A380 L383 A444 E445 A450 L451 F452 F849 | A380-L448 HydrophobicContact CB-CD1 4.35Å; A380-L448 HydrophobicContact CB-CD2 4.2Å; A380-L448 HydrophobicContact CB-CG 4.14Å; L383-L448 HydrophobicContact CB-CD2 4.16Å; L383-L448 HydrophobicContact CD2-CD2 3.51Å; L383-L448 HydrophobicContact CG-CD2 4.46Å; A444-L448 VanDerWaalsContact O-CG 3.31Å; A444-L448 WeakPolarHBondContact O-CG 3.34Å; A444-L448 PolarHBondContact O-N 3.21Å; E445-L448 PolarHBondContact O-N 3.2Å; L448-A450 PolarHBondContact O-N 3.27Å; L448-L451 PolarHBondContact O-N 2.75Å; L448-F452 HydrophobicContact CB-CE2 4.48Å; L448-F452 WeakPolarHBondContact O-CD2 3.41Å; L448-F452 PolarHBondContact O-N 2.88Å; L448-F452 VanDerWaalsContact O-N 3.14Å; L448-F849 HydrophobicContact CB-CE1 4.07Å; L448-F849 HydrophobicContact CB-CZ 4.23Å; L448-F849 HydrophobicContact CD1-CD1 4.12Å; L448-F849 HydrophobicContact CD1-CD2 3.94Å; L448-F849 HydrophobicContact CD1-CE1 3.74Å; L448-F849 HydrophobicContact CD1-CE2 3.6Å; L448-F849 HydrophobicContact CD1-CG 4.21Å; L448-F849 HydrophobicContact CD1-CZ 3.49Å; L448-F849 VanDerWaalsContact CD1-CZ 3.49Å; L448-F849 HydrophobicContact CG-CE1 4.42Å; L448-F849 HydrophobicContact CG-CZ 4.47Å |
| 449 | A | 92 | Very high | 84.2 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E445 E446 L447 L451 F452 L453 M851 | E445-A449 WeakPolarHBondContact O-CB 3.29Å; E445-A449 PolarHBondContact O-N 2.75Å; E446-A449 PolarHBondContact O-N 3.42Å; L447-A449 VanDerWaalsContact C-N 3.28Å; L447-A449 PolarHBondContact O-N 3.43Å; A449-L451 VanDerWaalsContact C-N 3.34Å; A449-L451 PolarHBondContact O-N 3.49Å; A449-F452 PolarHBondContact O-N 2.92Å; A449-L453 HydrophobicContact CB-CD1 4.34Å; A449-L453 VanDerWaalsContact O-CB 3.28Å; A449-L453 WeakPolarHBondContact O-CB 3.46Å; A449-L453 VanDerWaalsContact O-CG 3.22Å; A449-L453 WeakPolarHBondContact O-CG 3.4Å; A449-L453 PolarHBondContact O-N 2.92Å; A449-M851 HydrophobicContact CB-CE 3.55Å; A449-M851 HydrophobicContact CB-SD 4.09Å |
| 450 | A | 92.6 | Very high | 81.3 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V396 W400 E446 L447 L448 F452 L454 | V396-A450 HydrophobicContact CG2-CB 4.16Å; W400-A450 HydrophobicContact CH2-CB 4.05Å; W400-A450 HydrophobicContact CZ3-CB 3.99Å; E446-A450 PolarHBondContact O-N 3.08Å; L447-A450 WeakPolarHBondContact O-CB 3.39Å; L447-A450 PolarHBondContact O-N 2.95Å; L447-A450 VanDerWaalsContact O-N 3.08Å; L448-A450 PolarHBondContact O-N 3.27Å; A450-F452 VanDerWaalsContact C-N 3.31Å; A450-F452 PolarHBondContact O-N 3.33Å; A450-L454 HydrophobicContact CB-CD1 4.15Å; A450-L454 WeakPolarHBondContact O-CB 3.23Å; A450-L454 WeakPolarHBondContact O-CG 3.38Å; A450-L454 PolarHBondContact O-N 3.11Å |
| 451 | L | 91.4 | Very high | 78.2 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.6 | -32.1 | 178.7 | -65 | 170.2 | 0 | 0 | 0 | 112.8 | L383 F384 Y387 V396 L447 L448 A449 | L383-L451 HydrophobicContact CB-CD1 4.39Å; L383-L451 HydrophobicContact CD2-CB 4.04Å; L383-L451 HydrophobicContact CD2-CD1 4.02Å; L383-L451 HydrophobicContact CG-CB 4.44Å; L383-L451 HydrophobicContact CG-CD1 4.04Å; F384-L451 HydrophobicContact CB-CD1 4.04Å; F384-L451 HydrophobicContact CD2-CD2 4.09Å; Y387-L451 HydrophobicContact CD1-CD2 3.51Å; Y387-L451 HydrophobicContact CD2-CD2 3.73Å; Y387-L451 HydrophobicContact CE1-CD2 4.04Å; Y387-L451 HydrophobicContact CE2-CD2 4.2Å; Y387-L451 HydrophobicContact CG-CD2 3.35Å; V396-L451 HydrophobicContact CB-CD2 4.42Å; V396-L451 HydrophobicContact CG1-CD2 4.25Å; V396-L451 HydrophobicContact CG2-CD2 4.09Å; L447-L451 HydrophobicContact CD1-CD1 3.93Å; L447-L451 HydrophobicContact CD1-CD2 4.18Å; L447-L451 HydrophobicContact CD1-CG 3.87Å; L447-L451 HydrophobicContact CG-CD1 3.88Å; L447-L451 HydrophobicContact CG-CG 4.29Å; L447-L451 VanDerWaalsContact O-CG 3.26Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 3.47Å; L448-L451 PolarHBondContact O-N 2.75Å; A449-L451 VanDerWaalsContact C-N 3.34Å; A449-L451 PolarHBondContact O-N 3.49Å |
| 452 | F | 87.8 | Confident | 75.1 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.022 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -85 | -38.8 | 177 | -70 | -51.8 | 0 | 0 | 0 | 113.6 | L383 L448 A449 A450 I482 Y484 H541 F849 M851 F867 | L383-F452 HydrophobicContact CD1-CE1 4.12Å; L383-F452 HydrophobicContact CD1-CZ 4.37Å; L383-F452 HydrophobicContact CD2-CD1 4.26Å; L383-F452 HydrophobicContact CD2-CD2 4.36Å; L383-F452 HydrophobicContact CD2-CE1 3.59Å; L383-F452 HydrophobicContact CD2-CE2 3.71Å; L383-F452 HydrophobicContact CD2-CZ 3.26Å; L383-F452 HydrophobicContact CG-CZ 4.46Å; L448-F452 HydrophobicContact CB-CE2 4.48Å; L448-F452 WeakPolarHBondContact O-CD2 3.41Å; L448-F452 PolarHBondContact O-N 2.88Å; L448-F452 VanDerWaalsContact O-N 3.14Å; A449-F452 PolarHBondContact O-N 2.92Å; A450-F452 VanDerWaalsContact C-N 3.31Å; A450-F452 PolarHBondContact O-N 3.33Å; F452-I482 HydrophobicContact CB-CD1 3.69Å; F452-I482 HydrophobicContact CD1-CD1 4.02Å; F452-I482 HydrophobicContact CD1-CG2 3.98Å; F452-I482 HydrophobicContact CD2-CD1 4.43Å; F452-I482 HydrophobicContact CD2-CG2 4.34Å; F452-I482 HydrophobicContact CE1-CG2 3.77Å; F452-I482 HydrophobicContact CE2-CG2 4.15Å; F452-I482 HydrophobicContact CG-CD1 3.81Å; F452-I482 HydrophobicContact CG-CG2 4.28Å; F452-I482 HydrophobicContact CZ-CG2 3.87Å; F452-Y484 HydrophobicContact CZ-CG 4.29Å; F452-H541 HydrophobicContact CE1-CB 3.91Å; F452-H541 AromaticContact CE1-CG 3.75Å; F452-H541 AromaticContact CE1-ND1 3.97Å; F452-H541 HydrophobicContact CZ-CB 4.45Å; F452-F849 HydrophobicContact CE2-CD1 4.27Å; F452-F849 HydrophobicContact CE2-CE1 4.27Å; F452-M851 HydrophobicContact CD2-SD 3.95Å; F452-F867 WeakPolarHBondContact O-CZ 3.45Å |
| 453 | L | 84.3 | Confident | 72.1 | Confident | 91 Ų | 91 | 67 Ų | 67 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -97.9 | -24.2 | -164.5 | -60.7 | 177.4 | 0 | 0 | 0 | 114.6 | A449 I853 | A449-L453 HydrophobicContact CB-CD1 4.34Å; A449-L453 VanDerWaalsContact O-CB 3.28Å; A449-L453 WeakPolarHBondContact O-CB 3.46Å; A449-L453 VanDerWaalsContact O-CG 3.22Å; A449-L453 WeakPolarHBondContact O-CG 3.4Å; A449-L453 PolarHBondContact O-N 2.92Å; L453-I853 HydrophobicContact CD2-CB 3.84Å; L453-I853 HydrophobicContact CD2-CD1 4.49Å; L453-I853 HydrophobicContact CD2-CG2 3.78Å |
| 454 | L | 80.4 | Confident | 69.1 | Low | 73 Ų | 73 | 72.6 Ų | 72.6 | 38% | 0.382 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -76.9 | 138.3 | -179.4 | -66.7 | 178.3 | 0 | 0 | 0 | 111.1 | P395 V396 A450 Q456 | P395-L454 HydrophobicContact CB-CB 4.44Å; P395-L454 HydrophobicContact CB-CD1 4.5Å; P395-L454 HydrophobicContact CG-CB 3.8Å; V396-L454 HydrophobicContact CG2-CD1 3.86Å; A450-L454 HydrophobicContact CB-CD1 4.15Å; A450-L454 WeakPolarHBondContact O-CB 3.23Å; A450-L454 WeakPolarHBondContact O-CG 3.38Å; A450-L454 PolarHBondContact O-N 3.11Å; L454-Q456 PolarHBondContact O-N 3.15Å |
| 455 | P | 68.6 | Low | 66.3 | Low | 88 Ų | 88 | 78.3 Ų | 78.3 | 57% | 0.571 | 46% | 0.462 | S | S | * | . | trans | -63.6 | 120.6 | -176.7 | 24.4 | -32.3 | 0 | 0 | 0 | 110.7 | P395 N457 | P395-P455 WeakPolarHBondContact CG-O 3.4Å; P455-N457 PolarHBondContact O-N 3.07Å | ||
| 456 | Q | 65.9 | Low | 63.2 | Low | 67 Ų | 67 | 77 Ų | 77 | 31% | 0.313 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -74.9 | -8.6 | -176.2 | -64.7 | -177.2 | -13.7 | 0 | 0 | 113.5 | Y387 F391 L454 | Y387-Q456 HydrophobicContact CE2-CG 4.48Å; F391-Q456 HydrophobicContact CD1-CB 4.09Å; F391-Q456 HydrophobicContact CD2-CG 4.4Å; F391-Q456 HydrophobicContact CE1-CB 3.77Å; F391-Q456 HydrophobicContact CE1-CG 4.5Å; F391-Q456 HydrophobicContact CE2-CB 4.29Å; F391-Q456 HydrophobicContact CE2-CG 4.14Å; F391-Q456 HydrophobicContact CG-CB 4.48Å; F391-Q456 HydrophobicContact CZ-CB 3.89Å; F391-Q456 HydrophobicContact CZ-CG 4.2Å; L454-Q456 PolarHBondContact O-N 3.15Å |
| 457 | N | 53.2 | Low | 60.1 | Low | 101 Ų | 101 | 78.8 Ų | 78.8 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | trans | -113.2 | 132.9 | 173.3 | -70.7 | -9.9 | 0 | 0 | 0 | 110 | P455 D459 | P455-N457 PolarHBondContact O-N 3.07Å; N457-D459 PolarHBondContact O-N 2.94Å | ||
| 458 | Q | 41.9 | Very low | 57.3 | Low | 183 Ų | 183 | 87.7 Ų | 87.7 | 86% | 0.855 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -68.6 | -5.6 | 172.7 | -77.4 | -175.7 | -1.6 | 0 | 0 | 113.7 | V460 | Q458-V460 PolarHBondContact O-N 3.4Š|
| 459 | D | 37.8 | Very low | 54.5 | Low | 152 Ų | 152 | 97.2 Ų | 97.2 | 81% | 0.813 | 58% | 0.575 | S | S | * | * | trans | -107.1 | 52.7 | -167.3 | -130.3 | 4.3 | 0 | 0 | 0 | 113 | N457 | N457-D459 PolarHBondContact O-N 2.94Š| ||
| 460 | V | 37.2 | Very low | 51.8 | Low | 117 Ų | 117 | 99 Ų | 99 | 71% | 0.709 | 60% | 0.595 | S | S | * | * | trans | -140.5 | 79.9 | 163.2 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | Q458 G462 | Q458-V460 PolarHBondContact O-N 3.4Å; V460-G462 PolarHBondContact O-N 3.41Å; V460-G462 VanDerWaalsContact O-N 3.08Å | ||
| 461 | S | 33.8 | Very low | 49.3 | Very low | 125 Ų | 125 | 108.9 Ų | 108.9 | 87% | 0.874 | 64% | 0.635 | S | S | * | * | trans | -65.6 | 98.3 | 156.5 | 51.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 462 | G | 33.2 | Very low | 46.7 | Very low | 52 Ų | 52 | 111.2 Ų | 111.2 | 54% | 0.536 | 66% | 0.66 | S | S | . | * | trans | -173.8 | 78.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | V460 P464 | V460-G462 PolarHBondContact O-N 3.41Å; V460-G462 VanDerWaalsContact O-N 3.08Å; G462-P464 WeakPolarHBondContact O-CD 3.28Å | ||
| 463 | V | 35.1 | Very low | 44.4 | Very low | 137 Ų | 137 | 117.2 Ų | 117.2 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | trans | -83.2 | 121 | 162.7 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 464 | P | 34.7 | Very low | 42.6 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | trans | -93.2 | 99.4 | 155.3 | 0.4 | 20.2 | 0 | 0 | 0 | 107.8 | G462 G466 | G462-P464 WeakPolarHBondContact O-CD 3.28Å; P464-G466 PolarHBondContact O-N 3.4Å | ||
| 465 | S | 38.4 | Very low | 41.3 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -65.5 | 117.1 | 152.7 | 178.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 466 | G | 31.1 | Very low | 41 | Very low | 50 Ų | 50 | 118 Ų | 118 | 52% | 0.515 | 73% | 0.725 | S | S | . | * | trans | -152.1 | 102.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P464 | P464-G466 PolarHBondContact O-N 3.4Š| ||
| 467 | S | 31.9 | Very low | 41.7 | Very low | 126 Ų | 126 | 117.5 Ų | 117.5 | 88% | 0.881 | 72% | 0.724 | S | S | * | * | trans | -61 | 134.3 | 169.5 | 44 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 468 | F | 37.8 | Very low | 43.2 | Very low | 187 Ų | 187 | 114.1 Ų | 114.1 | 82% | 0.82 | 71% | 0.705 | S | S | * | * | trans | -92.7 | 113.4 | 178.5 | -77.4 | -88.8 | 0 | 0 | 0 | 111.3 | ||||
| 469 | Q | 36.3 | Very low | 45.5 | Very low | 201 Ų | 201 | 106.7 Ų | 106.7 | 94% | 0.939 | 67% | 0.67 | S | S | * | * | trans | -131.7 | 119.5 | 148.4 | -82.9 | -166.8 | -9.6 | 0 | 0 | 108.8 | ||||
| 470 | G | 35 | Very low | 48 | Very low | 59 Ų | 59 | 100.9 Ų | 100.9 | 61% | 0.608 | 64% | 0.638 | S | S | * | * | trans | -166 | 91.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G472 K858 | G470-G472 PolarHBondContact O-N 3.43Å; G470-K858 PolarHBondContact O-NZ 2.9Å | ||
| 471 | K | 40 | Very low | 50.6 | Low | 226 Ų | 226 | 95.3 Ų | 95.3 | 98% | 0.983 | 60% | 0.604 | S | S | * | * | trans | -65.3 | 118.7 | 165.8 | -81.8 | 178.6 | 174.8 | 177.3 | 0 | 108.8 | ||||
| 472 | G | 35.7 | Very low | 53.4 | Low | 53 Ų | 53 | 89.4 Ų | 89.4 | 55% | 0.546 | 56% | 0.563 | S | S | . | * | trans | -164.1 | 115.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | G470 K858 | G470-G472 PolarHBondContact O-N 3.43Å; G472-K858 PolarHBondContact O-NZ 3.05Å | ||
| 473 | S | 39.7 | Very low | 56.4 | Low | 130 Ų | 130 | 87 Ų | 87 | 91% | 0.909 | 54% | 0.538 | S | S | * | . | trans | -87.1 | 131.1 | -175.6 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 474 | G | 47.4 | Very low | 59.3 | Low | 82 Ų | 82 | 80.4 Ų | 80.4 | 85% | 0.845 | 50% | 0.498 | S | S | * | . | trans | 107.9 | 28 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 475 | Q | 52.2 | Low | 62.3 | Low | 135 Ų | 135 | 74.6 Ų | 74.6 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | trans | -108.3 | 143.1 | 173.3 | -80.9 | -179.1 | -25.8 | 0 | 0 | 112.6 | ||||
| 476 | A | 63.2 | Low | 65.1 | Low | 53 Ų | 53 | 68.9 Ų | 68.9 | 44% | 0.438 | 42% | 0.42 | S | S | . | . | trans | -60 | 142 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F548 | A476-F548 WeakPolarHBondContact CB-O 3.44Š| ||
| 477 | L | 80.3 | Confident | 68.3 | Low | 56 Ų | 56 | 66.5 Ų | 66.5 | 29% | 0.293 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.4 | 174.8 | -67.7 | 169.6 | 0 | 0 | 0 | 109.3 | F501 Q547 F548 P856 G857 | L477-F501 HydrophobicContact CD1-CE1 4.32Å; L477-F501 HydrophobicContact CD1-CE2 3.96Å; L477-F501 HydrophobicContact CD1-CZ 3.49Å; L477-F501 VanDerWaalsContact CD1-CZ 3.49Å; L477-Q547 CarbonylContact O-C 3.56Å; L477-Q547 WeakPolarHBondContact O-CA 3.27Å; L477-F548 HydrophobicContact CB-CB 4.41Å; L477-F548 HydrophobicContact CB-CD2 4.25Å; L477-F548 WeakPolarHBondContact O-CD2 3.38Å; L477-F548 PolarHBondContact O-N 3.18Å; L477-P856 HydrophobicContact CB-CB 4.2Å; L477-P856 HydrophobicContact CD1-CB 4.48Å; L477-G857 CarbonylContact C-O 3.55Å; L477-G857 WeakPolarHBondContact CA-O 3.41Å |
| 478 | E | 85.4 | Confident | 71.4 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.6 | 179.5 | -173.8 | 166.8 | -129.8 | 0 | 0 | 110.4 | V546 Q547 P856 G857 | E478-V546 CarbonylContact C-O 3.58Å; E478-V546 WeakPolarHBondContact CA-O 3.39Å; E478-Q547 HydrophobicContact CB-CG 4.35Å; E478-Q547 HydrophobicContact CG-CG 4.06Å; E478-Q547 PolarHBondContact OE1-NE2 3.35Å; E478-P856 WeakPolarHBondContact O-CA 3.43Å; E478-G857 PolarHBondContact N-O 3.48Å; E478-G857 PolarHBondContact O-N 3.47Å |
| 479 | Q | 89.4 | Confident | 74.1 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.7 | 172.4 | 179.5 | 174.2 | 37.7 | 0 | 0 | 109.6 | V546 F548 D854 P856 | Q479-V546 PolarHBondContact N-O 3.25Å; Q479-V546 PolarHBondContact O-N 3.36Å; Q479-F548 HydrophobicContact CB-CE2 3.66Å; Q479-F548 HydrophobicContact CB-CZ 4.22Å; Q479-D854 WeakPolarHBondContact CA-OD1 3.37Å; Q479-D854 WeakPolarHBondContact CG-OD1 3.11Å; Q479-D854 PolarHBondContact NE2-O 3.12Å; Q479-P856 HydrophobicContact CB-CG 4.33Å |
| 480 | H | 90.2 | Very high | 76.9 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 142.3 | 177.2 | -61.5 | 96.2 | 0 | 0 | 0 | 111.6 | K543 Y544 I853 D854 | H480-K543 WeakPolarHBondContact CD2-CE 3.42Å; H480-K543 VanDerWaalsContact CG-CE 3.46Å; H480-Y544 CarbonylContact C-O 3.51Å; H480-Y544 WeakPolarHBondContact CA-O 3.47Å; H480-I853 HydrophobicContact CB-CD1 3.73Å; H480-I853 HydrophobicContact CB-CG1 3.55Å; H480-I853 WeakPolarHBondContact O-CG1 3.45Å; H480-I853 PolarHBondContact O-N 2.85Å; H480-D854 IonicContact CE1-OD2 3.46Å; H480-D854 IonicContact CG-OD2 3.91Å; H480-D854 PolarHBondContact N-OD1 3.01Å; H480-D854 IonicContact ND1-OD1 2.63Å; H480-D854 IonicContact ND1-OD2 2.84Å; H480-D854 PolarHBondContact ND1-OD2 3.37Å |
| 481 | V | 92.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.7 | -177.5 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | V483 M497 K543 Y544 V546 V850 M851 | V481-V483 HydrophobicContact CG1-CG2 4.3Å; V481-M497 HydrophobicContact CB-SD 4.48Å; V481-M497 HydrophobicContact CG1-SD 4.04Å; V481-M497 HydrophobicContact CG2-CE 3.65Å; V481-M497 HydrophobicContact CG2-SD 3.78Å; V481-K543 CarbonylContact O-C 3.45Å; V481-K543 WeakPolarHBondContact O-CA 3.47Å; V481-Y544 PolarHBondContact N-O 3.02Å; V481-Y544 PolarHBondContact O-N 2.84Å; V481-V546 HydrophobicContact CG2-CG2 4.08Å; V481-V850 HydrophobicContact CG1-CG1 3.58Å; V481-M851 WeakPolarHBondContact CA-O 3.48Å |
| 482 | I | 92.9 | Very high | 82.1 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.3 | 169.2 | -65 | 178.3 | 0 | 0 | 0 | 108.5 | F452 H541 R542 V850 M851 I853 | F452-I482 HydrophobicContact CB-CD1 3.69Å; F452-I482 HydrophobicContact CD1-CD1 4.02Å; F452-I482 HydrophobicContact CD1-CG2 3.98Å; F452-I482 HydrophobicContact CD2-CD1 4.43Å; F452-I482 HydrophobicContact CD2-CG2 4.34Å; F452-I482 HydrophobicContact CE1-CG2 3.77Å; F452-I482 HydrophobicContact CE2-CG2 4.15Å; F452-I482 HydrophobicContact CG-CD1 3.81Å; F452-I482 HydrophobicContact CG-CG2 4.28Å; F452-I482 HydrophobicContact CZ-CG2 3.87Å; I482-H541 HydrophobicContact CG2-CB 4.06Å; I482-R542 WeakPolarHBondContact CA-O 3.45Å; I482-V850 WeakPolarHBondContact O-CA 3.32Å; I482-M851 PolarHBondContact N-O 3.42Å; I482-M851 PolarHBondContact O-N 3.19Å; I482-I853 HydrophobicContact CB-CG2 4.47Å; I482-I853 HydrophobicContact CD1-CD1 4.29Å; I482-I853 HydrophobicContact CD1-CG2 3.73Å; I482-I853 HydrophobicContact CG1-CD1 4.29Å; I482-I853 HydrophobicContact CG1-CG2 3.9Å |
| 483 | V | 95.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120.4 | 173.1 | -168.4 | 0 | 0 | 0 | 0 | 108.5 | V481 V495 F532 A534 L536 H541 R542 Y544 P848 F849 V850 | V481-V483 HydrophobicContact CG1-CG2 4.3Å; V483-V495 HydrophobicContact CG1-CG2 3.97Å; V483-V495 HydrophobicContact CG2-CG2 4.08Å; V483-F532 HydrophobicContact CG2-CE2 4.37Å; V483-F532 HydrophobicContact CG2-CZ 4.18Å; V483-A534 HydrophobicContact CG1-CB 4.33Å; V483-L536 HydrophobicContact CB-CD1 4.3Å; V483-L536 HydrophobicContact CG1-CD1 3.61Å; V483-H541 CarbonylContact O-C 3.58Å; V483-H541 WeakPolarHBondContact O-CA 3.23Å; V483-R542 PolarHBondContact N-O 2.67Å; V483-R542 PolarHBondContact O-N 2.92Å; V483-Y544 HydrophobicContact CB-CD2 4.34Å; V483-Y544 HydrophobicContact CB-CE2 3.94Å; V483-Y544 HydrophobicContact CG2-CD2 3.69Å; V483-Y544 HydrophobicContact CG2-CE2 3.7Å; V483-P848 HydrophobicContact CG1-CB 3.71Å; V483-F849 CarbonylContact C-O 3.54Å; V483-F849 WeakPolarHBondContact CA-O 3.42Å; V483-V850 HydrophobicContact CG1-CG2 4.21Å |
| 484 | Y | 95.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129 | -179 | 173.3 | -120.4 | 0 | 0 | 0 | 111.1 | A379 T382 L383 F452 P486 Q540 H541 P848 F849 | A379-Y484 HydrophobicContact CB-CD1 4.34Å; A379-Y484 HydrophobicContact CB-CE1 4.27Å; A379-Y484 WeakPolarHBondContact O-CE1 3.44Å; T382-Y484 WeakPolarHBondContact CB-OH 3.46Å; T382-Y484 PolarHBondContact OG1-OH 3.03Å; L383-Y484 HydrophobicContact CB-CE1 3.95Å; L383-Y484 HydrophobicContact CD1-CD2 4.34Å; L383-Y484 HydrophobicContact CD1-CE2 4.02Å; L383-Y484 PolarHBondContact N-OH 3.44Å; F452-Y484 HydrophobicContact CZ-CG 4.29Å; Y484-P486 HydrophobicContact CD1-CB 4.33Å; Y484-P486 HydrophobicContact CE1-CB 3.82Å; Y484-P486 WeakPolarHBondContact O-CD 3.19Å; Y484-Q540 WeakPolarHBondContact CD2-O 3.38Å; Y484-H541 HydrophobicContact CD2-CB 3.91Å; Y484-H541 HydrophobicContact CG-CB 4.43Å; Y484-P848 CarbonylContact O-C 3.49Å; Y484-P848 WeakPolarHBondContact O-CA 3.11Å; Y484-F849 HydrophobicContact CD1-CB 4.47Å; Y484-F849 PolarHBondContact N-O 3.4Å; Y484-F849 PolarHBondContact O-N 3.23Å |
| 485 | N | 97.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -93 | 108.9 | 171.4 | 175 | 19.5 | 0 | 0 | 0 | 109.9 | L487 W489 I491 L536 G537 L539 Q540 | N485-L487 VanDerWaalsContact C-N 3.27Å; N485-L487 PolarHBondContact ND2-O 3.38Å; N485-L487 PolarHBondContact O-N 2.84Å; N485-L487 WeakPolarHBondContact OD1-CB 3.42Å; N485-L487 PolarHBondContact OD1-N 2.87Å; N485-W489 PolarHBondContact ND2-O 2.87Å; N485-I491 HydrophobicContact CB-CD1 3.92Å; N485-I491 HydrophobicContact CB-CG1 4.29Å; N485-I491 VanDerWaalsContact OD1-CD1 3.24Å; N485-I491 WeakPolarHBondContact OD1-CD1 3.45Å; N485-L536 HydrophobicContact CB-CB 3.7Å; N485-L536 HydrophobicContact CB-CD1 3.97Å; N485-L536 HydrophobicContact CB-CG 4.42Å; N485-G537 PolarHBondContact ND2-O 3.48Å; N485-L539 WeakPolarHBondContact O-CA 3.18Å; N485-L539 PolarHBondContact O-N 2.83Å; N485-Q540 PolarHBondContact N-O 2.74Å | ||
| 486 | P | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -80.8 | -6.2 | 179.3 | 36.6 | -38.4 | 0 | 0 | 0 | 113.2 | A379 Y484 L539 H846 | A379-P486 HydrophobicContact CB-CB 3.87Å; A379-P486 HydrophobicContact CB-CG 4.34Å; Y484-P486 HydrophobicContact CD1-CB 4.33Å; Y484-P486 HydrophobicContact CE1-CB 3.82Å; Y484-P486 WeakPolarHBondContact O-CD 3.19Å; P486-L539 WeakPolarHBondContact O-CD2 3.38Å; P486-H846 HydrophobicContact CG-CB 4.24Å | ||
| 487 | L | 97.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -86.3 | 149 | 178.2 | -63.4 | 171.3 | 0 | 0 | 0 | 111.2 | N485 W489 G538 L539 V842 E843 H846 | N485-L487 VanDerWaalsContact C-N 3.27Å; N485-L487 PolarHBondContact ND2-O 3.38Å; N485-L487 PolarHBondContact O-N 2.84Å; N485-L487 WeakPolarHBondContact OD1-CB 3.42Å; N485-L487 PolarHBondContact OD1-N 2.87Å; L487-W489 HydrophobicContact CB-CE3 4.23Å; L487-W489 HydrophobicContact CD1-CE3 4.02Å; L487-W489 HydrophobicContact CD1-CZ3 4.17Å; L487-W489 HydrophobicContact CD2-CZ3 4.28Å; L487-W489 PolarHBondContact O-N 3.14Å; L487-W489 VanDerWaalsContact O-N 3.11Å; L487-G538 CarbonylContact O-C 3.53Å; L487-G538 WeakPolarHBondContact O-CA 3.33Å; L487-L539 PolarHBondContact O-N 2.46Å; L487-V842 HydrophobicContact CD2-CG1 3.68Å; L487-E843 HydrophobicContact CD1-CB 4.35Å; L487-E843 HydrophobicContact CD1-CG 3.71Å; L487-H846 HydrophobicContact CD1-CB 4.48Å; L487-H846 HydrophobicContact CD2-CB 3.74Å; L487-H846 HydrophobicContact CG-CB 4.09Å |
| 488 | A | 97.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -83.7 | 38.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V874 V875 L876 L882 | A488-V874 CarbonylContact C-O 3.58Å; A488-V874 WeakPolarHBondContact CA-O 3.49Å; A488-V874 HydrophobicContact CB-CG1 4.21Å; A488-V875 CarbonylContact O-C 3.58Å; A488-V875 WeakPolarHBondContact O-CA 3.46Å; A488-L876 HydrophobicContact CB-CB 4.43Å; A488-L876 HydrophobicContact CB-CD1 3.85Å; A488-L876 HydrophobicContact CB-CG 3.94Å; A488-L876 PolarHBondContact O-N 2.95Å; A488-L882 HydrophobicContact CB-CB 3.84Å; A488-L882 HydrophobicContact CB-CD2 3.96Å |
| 489 | W | 96.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -131.5 | 151.6 | 173 | -59.2 | -46.2 | 0 | 0 | 0 | 110.3 | N485 L487 I491 G538 R839 V842 E843 P877 L880 H881 L925 | N485-W489 PolarHBondContact ND2-O 2.87Å; L487-W489 HydrophobicContact CB-CE3 4.23Å; L487-W489 HydrophobicContact CD1-CE3 4.02Å; L487-W489 HydrophobicContact CD1-CZ3 4.17Å; L487-W489 HydrophobicContact CD2-CZ3 4.28Å; L487-W489 PolarHBondContact O-N 3.14Å; L487-W489 VanDerWaalsContact O-N 3.11Å; W489-I491 HydrophobicContact CB-CG2 4.43Å; W489-I491 PolarHBondContact O-N 3.01Å; W489-G538 WeakPolarHBondContact O-CA 3.34Å; W489-G538 PolarHBondContact O-N 2.82Å; W489-R839 HydrophobicContact CD2-CG 4.47Å; W489-R839 HydrophobicContact CE3-CG 3.94Å; W489-R839 HydrophobicContact CH2-CG 4.02Å; W489-R839 HydrophobicContact CZ3-CG 3.71Å; W489-V842 HydrophobicContact CH2-CB 4.04Å; W489-V842 HydrophobicContact CH2-CG1 3.79Å; W489-V842 HydrophobicContact CH2-CG2 4.47Å; W489-V842 HydrophobicContact CZ3-CB 4.01Å; W489-V842 HydrophobicContact CZ3-CG1 3.69Å; W489-E843 HydrophobicContact CE3-CG 4.34Å; W489-E843 HydrophobicContact CZ3-CG 4.31Å; W489-P877 PolarHBondContact NE1-O 3.41Å; W489-L880 VanDerWaalsContact CZ2-O 3.25Å; W489-L880 WeakPolarHBondContact CZ2-O 3.17Å; W489-L880 PolarHBondContact NE1-O 2.77Å; W489-H881 HydrophobicContact CH2-CB 4.18Å; W489-H881 AromaticContact CH2-ND1 3.95Å; W489-H881 HydrophobicContact CZ2-CB 4.02Å; W489-L925 HydrophobicContact CH2-CD1 3.77Å; W489-L925 HydrophobicContact CZ2-CD1 3.67Å |
| 490 | N | 94.8 | Very high | 93.4 | Very high | 91 Ų | 91 | 26.2 Ų | 26.2 | 49% | 0.487 | 15% | 0.152 | S | C | . | . | trans | -68.9 | 129.7 | 164.5 | -64.2 | -8 | 0 | 0 | 0 | 108.9 | L536 G537 G538 R839 V875 | N490-L536 WeakPolarHBondContact CA-O 3.26Å; N490-G537 VanDerWaalsContact OD1-CA 3.29Å; N490-G537 WeakPolarHBondContact OD1-CA 3.23Å; N490-G538 PolarHBondContact OD1-N 3.19Å; N490-R839 PolarHBondContact O-NH2 3Å; N490-V875 WeakPolarHBondContact OD1-CG2 3.4Å | ||
| 491 | I | 92.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 151.8 | -179.6 | 66.8 | 175 | 0 | 0 | 0 | 111 | N485 W489 L536 P848 | N485-I491 HydrophobicContact CB-CD1 3.92Å; N485-I491 HydrophobicContact CB-CG1 4.29Å; N485-I491 VanDerWaalsContact OD1-CD1 3.24Å; N485-I491 WeakPolarHBondContact OD1-CD1 3.45Å; W489-I491 HydrophobicContact CB-CG2 4.43Å; W489-I491 PolarHBondContact O-N 3.01Å; I491-L536 HydrophobicContact CG1-CB 4.18Å; I491-L536 PolarHBondContact N-O 2.6Å; I491-L536 PolarHBondContact O-N 3.09Å; I491-P848 HydrophobicContact CD1-CG 3.63Å |
| 492 | T | 91.3 | Very high | 92.7 | Very high | 58 Ų | 58 | 27.5 Ų | 27.5 | 36% | 0.356 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.4 | 163.6 | -59.9 | 0 | 0 | 0 | 0 | 106.7 | V533 A534 Q535 | T492-V533 HydrophobicContact CG2-CG1 3.5Å; T492-A534 WeakPolarHBondContact CA-O 3.49Å; T492-Q535 HydrophobicContact CG2-CG 4.26Å |
| 493 | S | 90.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 21% | 0.21 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146 | -177.2 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | A534 | S493-A534 PolarHBondContact N-O 2.88Å; S493-A534 PolarHBondContact O-N 3.27Å |
| 494 | V | 92.1 | Very high | 91.9 | Very high | 32 Ų | 32 | 27.5 Ų | 27.5 | 19% | 0.194 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121.7 | 168 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | F531 F532 V533 V664 L665 W698 | V494-F531 HydrophobicContact CG1-CB 3.79Å; V494-F531 HydrophobicContact CG1-CD1 3.79Å; V494-F531 HydrophobicContact CG1-CG 4.25Å; V494-F532 CarbonylContact C-O 3.56Å; V494-F532 WeakPolarHBondContact CA-O 3.08Å; V494-V533 HydrophobicContact CG2-CG2 4.28Å; V494-V664 HydrophobicContact CG1-CG1 4.22Å; V494-V664 HydrophobicContact CG2-CG1 3.9Å; V494-L665 HydrophobicContact CG1-CD2 4.16Å; V494-W698 HydrophobicContact CB-CZ2 4.47Å; V494-W698 HydrophobicContact CG2-CH2 3.79Å; V494-W698 HydrophobicContact CG2-CZ2 3.34Å |
| 495 | V | 94.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 132.1 | 170.9 | 175.6 | 0 | 0 | 0 | 0 | 108 | V483 M497 F531 F532 A534 V850 | V483-V495 HydrophobicContact CG1-CG2 3.97Å; V483-V495 HydrophobicContact CG2-CG2 4.08Å; V495-M497 HydrophobicContact CG1-CG 4.08Å; V495-M497 HydrophobicContact CG1-SD 4.43Å; V495-F531 VanDerWaalsContact O-CA 3.28Å; V495-F531 WeakPolarHBondContact O-CA 3.08Å; V495-F532 HydrophobicContact CB-CD1 3.99Å; V495-F532 HydrophobicContact CB-CD2 4.29Å; V495-F532 HydrophobicContact CB-CE1 3.55Å; V495-F532 HydrophobicContact CB-CE2 3.88Å; V495-F532 HydrophobicContact CB-CG 4.35Å; V495-F532 HydrophobicContact CB-CZ 3.49Å; V495-F532 VanDerWaalsContact CB-CZ 3.49Å; V495-F532 HydrophobicContact CG1-CD1 4.18Å; V495-F532 HydrophobicContact CG1-CE1 3.36Å; V495-F532 HydrophobicContact CG1-CE2 4.33Å; V495-F532 HydrophobicContact CG1-CZ 3.45Å; V495-F532 VanDerWaalsContact CG1-CZ 3.45Å; V495-F532 HydrophobicContact CG2-CE1 4.42Å; V495-F532 HydrophobicContact CG2-CE2 3.93Å; V495-F532 HydrophobicContact CG2-CZ 3.85Å; V495-F532 PolarHBondContact N-O 3.12Å; V495-F532 PolarHBondContact O-N 3.3Å; V495-F532 VanDerWaalsContact O-N 3.08Å; V495-A534 HydrophobicContact CG2-CB 3.9Å; V495-V850 HydrophobicContact CG1-CG1 3.89Å; V495-V850 HydrophobicContact CG1-CG2 3.78Å; V495-V850 HydrophobicContact CG2-CG2 4.19Å |
| 496 | N | 93.4 | Very high | 91.3 | Very high | 68 Ų | 68 | 28.4 Ų | 28.4 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126 | 175.4 | 178.7 | 13.5 | 0 | 0 | 0 | 109.3 | L530 F531 | N496-L530 WeakPolarHBondContact CA-O 3.37Å; N496-F531 HydrophobicContact CB-CD1 3.96Å; N496-F531 HydrophobicContact CB-CE1 3.77Å; N496-F531 VanDerWaalsContact CG-CE1 3.49Å |
| 497 | M | 91.4 | Very high | 91 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.8 | 175.2 | -68.2 | 178.4 | 60.9 | 0 | 0 | 110.6 | V481 V495 V499 L530 F532 V850 P852 | V481-M497 HydrophobicContact CB-SD 4.48Å; V481-M497 HydrophobicContact CG1-SD 4.04Å; V481-M497 HydrophobicContact CG2-CE 3.65Å; V481-M497 HydrophobicContact CG2-SD 3.78Å; V495-M497 HydrophobicContact CG1-CG 4.08Å; V495-M497 HydrophobicContact CG1-SD 4.43Å; M497-V499 HydrophobicContact CB-CG1 4.38Å; M497-L530 PolarHBondContact N-O 2.83Å; M497-L530 PolarHBondContact O-N 3.44Å; M497-F532 HydrophobicContact SD-CE1 3.96Å; M497-V850 HydrophobicContact SD-CG1 4.39Å; M497-P852 HydrophobicContact CE-CG 4.29Å |
| 498 | T | 91.6 | Very high | 90.7 | Very high | 85 Ų | 85 | 32 Ų | 32 | 52% | 0.521 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.5 | 170.5 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | S527 Y528 | T498-S527 WeakPolarHBondContact CG2-OG 3.4Å; T498-Y528 CarbonylContact C-O 3.23Å; T498-Y528 WeakPolarHBondContact CA-O 3.49Å |
| 499 | V | 89.4 | Confident | 90.1 | Very high | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 158.2 | -175.1 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | M497 Y528 L530 F548 | M497-V499 HydrophobicContact CB-CG1 4.38Å; V499-Y528 PolarHBondContact N-O 2.74Å; V499-Y528 PolarHBondContact O-N 3.07Å; V499-L530 HydrophobicContact CG1-CB 3.98Å; V499-L530 HydrophobicContact CG1-CD2 4.22Å; V499-L530 HydrophobicContact CG2-CB 4.08Å; V499-F548 HydrophobicContact CB-CE1 3.9Å; V499-F548 HydrophobicContact CG1-CE1 3.76Å; V499-F548 HydrophobicContact CG1-CZ 4.3Å |
| 500 | T | 87.8 | Confident | 89.6 | Confident | 102 Ų | 102 | 40.3 Ų | 40.3 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -91 | -12.5 | -177.5 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 501 | F | 85.8 | Confident | 89.2 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -106.6 | 144 | -174.3 | -61.1 | -84.8 | 0 | 0 | 0 | 111.4 | L477 S503 Y528 F548 E550 | L477-F501 HydrophobicContact CD1-CE1 4.32Å; L477-F501 HydrophobicContact CD1-CE2 3.96Å; L477-F501 HydrophobicContact CD1-CZ 3.49Å; L477-F501 VanDerWaalsContact CD1-CZ 3.49Å; F501-S503 PolarHBondContact O-N 2.92Å; F501-Y528 VanDerWaalsContact C-CD2 3.44Å; F501-Y528 WeakPolarHBondContact O-CD2 3.45Å; F501-F548 HydrophobicContact CB-CB 4.01Å; F501-F548 HydrophobicContact CB-CD1 4.17Å; F501-F548 HydrophobicContact CB-CG 4.44Å; F501-F548 HydrophobicContact CD1-CB 4.45Å; F501-F548 HydrophobicContact CD2-CB 3.5Å; F501-F548 AromaticContact CD2-CD1 3.82Å; F501-F548 HydrophobicContact CD2-CD1 3.82Å; F501-F548 HydrophobicContact CD2-CD2 4.28Å; F501-F548 AromaticContact CD2-CG 3.6Å; F501-F548 HydrophobicContact CD2-CG 3.6Å; F501-F548 HydrophobicContact CE2-CB 4.09Å; F501-F548 HydrophobicContact CE2-CD2 4.49Å; F501-F548 HydrophobicContact CE2-CG 4.21Å; F501-F548 HydrophobicContact CG-CB 3.73Å; F501-F548 HydrophobicContact CG-CD1 4.37Å; F501-F548 HydrophobicContact CG-CG 4.24Å; F501-E550 HydrophobicContact CD1-CG 3.95Å; F501-E550 HydrophobicContact CE1-CG 3.84Å |
| 502 | P | 82.8 | Confident | 89 | Confident | 22 Ų | 22 | 42.5 Ų | 42.5 | 14% | 0.143 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -68.6 | -23 | -178.6 | 26.8 | -34.4 | 0 | 0 | 0 | 113.5 | T518 Y528 | P502-T518 WeakPolarHBondContact O-CB 3.47Å; P502-T518 PolarHBondContact O-OG1 3.41Å; P502-Y528 HydrophobicContact CB-CD1 4.34Å; P502-Y528 HydrophobicContact CB-CE1 3.77Å; P502-Y528 HydrophobicContact CB-CE2 4.02Å |
| 503 | S | 83.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.2 | -177.8 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | F501 S549 C553 | F501-S503 PolarHBondContact O-N 2.92Å; S503-S549 PolarHBondContact O-N 2.92Å; S503-C553 PolarHBondContact OG-SG 2.81Å |
| 504 | A | 88 | Confident | 88.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 137 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T518 L530 V546 Q547 F548 T562 | A504-T518 HydrophobicContact CB-CG2 4.44Å; A504-L530 HydrophobicContact CB-CD1 4.19Å; A504-L530 HydrophobicContact CB-CD2 4Å; A504-V546 HydrophobicContact CB-CG1 3.86Å; A504-Q547 CarbonylContact C-O 3.52Å; A504-Q547 VanDerWaalsContact CA-O 3.22Å; A504-Q547 WeakPolarHBondContact CA-O 3.22Å; A504-F548 HydrophobicContact CB-CD1 3.87Å; A504-F548 HydrophobicContact CB-CE1 4.16Å; A504-T562 WeakPolarHBondContact O-CB 3.31Å; A504-T562 WeakPolarHBondContact O-CG2 3.39Å; A504-T562 PolarHBondContact O-OG1 3.2Å |
| 505 | V | 89.1 | Confident | 88.9 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.8 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | V546 Q547 | V505-V546 CarbonylContact O-C 3.49Å; V505-V546 WeakPolarHBondContact O-CA 3.32Å; V505-Q547 HydrophobicContact CB-CB 4.46Å; V505-Q547 PolarHBondContact N-O 3.02Å; V505-Q547 PolarHBondContact O-N 3.25Å |
| 506 | V | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.1 | 179.2 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | P513 V514 A516 L530 F532 Y544 S545 V546 | V506-P513 WeakPolarHBondContact O-CA 3.41Å; V506-V514 HydrophobicContact CB-CB 4.47Å; V506-V514 HydrophobicContact CG1-CB 4.29Å; V506-V514 PolarHBondContact O-N 2.82Å; V506-A516 HydrophobicContact CB-CB 4.28Å; V506-A516 HydrophobicContact CG2-CB 3.89Å; V506-L530 HydrophobicContact CG2-CD1 4.22Å; V506-L530 HydrophobicContact CG2-CD2 4.08Å; V506-F532 HydrophobicContact CB-CB 4.37Å; V506-F532 HydrophobicContact CG1-CB 4.3Å; V506-F532 HydrophobicContact CG1-CD1 4.45Å; V506-F532 HydrophobicContact CG1-CD2 3.98Å; V506-F532 HydrophobicContact CG1-CE2 4.39Å; V506-F532 HydrophobicContact CG1-CG 4Å; V506-F532 HydrophobicContact CG2-CB 4.1Å; V506-F532 HydrophobicContact CG2-CD1 4.31Å; V506-F532 HydrophobicContact CG2-CG 4.27Å; V506-Y544 HydrophobicContact CG1-CD1 4.15Å; V506-S545 CarbonylContact C-O 3.58Å; V506-S545 WeakPolarHBondContact CA-O 3.46Å; V506-V546 HydrophobicContact CG1-CG2 4.49Å; V506-V546 HydrophobicContact CG2-CG1 4.44Å; V506-V546 HydrophobicContact CG2-CG2 4.34Å |
| 507 | R | 91.7 | Very high | 88.7 | Confident | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.5 | 172.6 | -61.1 | 178.3 | -177.4 | -81.2 | -4.6 | 110.5 | G511 Q512 Y544 S545 E560 | R507-G511 WeakPolarHBondContact CD-O 3.22Å; R507-G511 PolarHBondContact NH1-O 2.74Å; R507-Q512 CarbonylContact C-O 3.45Å; R507-Q512 WeakPolarHBondContact CA-O 3.45Å; R507-Y544 CarbonylContact O-C 3.54Å; R507-Y544 WeakPolarHBondContact O-CA 3.35Å; R507-Y544 WeakPolarHBondContact O-CB 3.33Å; R507-S545 PolarHBondContact N-O 3.15Å; R507-S545 PolarHBondContact O-N 3.32Å; R507-E560 IonicContact CZ-OE2 2.9Å; R507-E560 IonicContact NH1-OE2 3.77Å; R507-E560 IonicContact NH2-OE1 3.87Å; R507-E560 IonicContact NH2-OE2 2.77Å; R507-E560 PolarHBondContact NH2-OE2 3.17Å |
| 508 | D | 89.9 | Confident | 88.8 | Confident | 24 Ų | 24 | 37 Ų | 37 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | trans | -82.3 | -176.3 | 171.5 | 69.7 | 7.4 | 0 | 0 | 0 | 112.2 | D510 G511 Q512 V514 R542 K543 Y544 | D508-D510 PolarHBondContact O-N 2.99Å; D508-D510 PolarHBondContact OD1-N 3.14Å; D508-D510 VanDerWaalsContact OD1-N 3.08Å; D508-G511 WeakPolarHBondContact O-CA 3.46Å; D508-G511 PolarHBondContact O-N 3.47Å; D508-G511 PolarHBondContact OD1-N 2.78Å; D508-Q512 PolarHBondContact N-O 3.14Å; D508-Q512 WeakPolarHBondContact OD1-CB 3.39Å; D508-Q512 PolarHBondContact OD1-N 2.95Å; D508-V514 HydrophobicContact CB-CG2 3.83Å; D508-R542 IonicContact OD2-CZ 2.71Å; D508-R542 IonicContact OD2-NH2 3.65Å; D508-R542 PolarHBondContact OD2-NH2 2.73Å; D508-K543 CarbonylContact C-O 3.6Å; D508-Y544 HydrophobicContact CB-CD1 4.22Å; D508-Y544 HydrophobicContact CB-CE1 4.09Å | ||
| 509 | D | 85.8 | Confident | 88.9 | Confident | 65 Ų | 65 | 33.1 Ų | 33.1 | 35% | 0.348 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.5 | -179.7 | 49.5 | -31.7 | 0 | 0 | 0 | 114 | G511 R542 K543 | D509-G511 VanDerWaalsContact C-N 3.29Å; D509-R542 IonicContact OD1-CZ 3.28Å; D509-R542 IonicContact OD1-NE 3.09Å; D509-R542 PolarHBondContact OD1-NE 3.33Å; D509-R542 IonicContact OD1-NH2 3.17Å; D509-R542 PolarHBondContact OD1-NH2 3.46Å; D509-R542 IonicContact OD2-NE 2.72Å; D509-K543 PolarHBondContact N-O 3.09Å; D509-K543 VanDerWaalsContact N-O 3.1Å |
| 510 | D | 86.1 | Confident | 88.9 | Confident | 113 Ų | 113 | 39.1 Ų | 39.1 | 60% | 0.604 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.8 | 172.1 | -65.4 | -50.2 | 0 | 0 | 0 | 112.4 | D508 Q512 R542 | D508-D510 PolarHBondContact O-N 2.99Å; D508-D510 PolarHBondContact OD1-N 3.14Å; D508-D510 VanDerWaalsContact OD1-N 3.08Å; D510-Q512 HydrophobicContact CB-CG 4.14Å; D510-Q512 PolarHBondContact O-N 3.02Å; D510-R542 IonicContact OD2-NH2 3.65Å |
| 511 | G | 85.4 | Confident | 89 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 36% | 0.361 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 75.1 | 8.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R507 D508 D509 | R507-G511 WeakPolarHBondContact CD-O 3.22Å; R507-G511 PolarHBondContact NH1-O 2.74Å; D508-G511 WeakPolarHBondContact O-CA 3.46Å; D508-G511 PolarHBondContact O-N 3.47Å; D508-G511 PolarHBondContact OD1-N 2.78Å; D509-G511 VanDerWaalsContact C-N 3.29Å |
| 512 | Q | 88.4 | Confident | 88.7 | Confident | 116 Ų | 116 | 34.5 Ų | 34.5 | 54% | 0.542 | 19% | 0.191 | S | C | . | . | trans | -79.6 | 137.9 | -179.4 | -60.5 | -56.8 | -42.2 | 0 | 0 | 110.5 | R507 D508 D510 V514 | R507-Q512 CarbonylContact C-O 3.45Å; R507-Q512 WeakPolarHBondContact CA-O 3.45Å; D508-Q512 PolarHBondContact N-O 3.14Å; D508-Q512 WeakPolarHBondContact OD1-CB 3.39Å; D508-Q512 PolarHBondContact OD1-N 2.95Å; D510-Q512 HydrophobicContact CB-CG 4.14Å; D510-Q512 PolarHBondContact O-N 3.02Å; Q512-V514 PolarHBondContact O-N 3.29Å | ||
| 513 | P | 88.7 | Confident | 88.5 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 32% | 0.318 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -64.6 | 133.9 | 176.6 | 26.8 | -32.9 | 0 | 0 | 0 | 111 | V506 S561 | V506-P513 WeakPolarHBondContact O-CA 3.41Å; P513-S561 WeakPolarHBondContact CB-OG 3.35Å |
| 514 | V | 91 | Very high | 88.3 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | trans | -105.5 | 136.8 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | V506 D508 Q512 A516 F532 V533 Y544 S561 | V506-V514 HydrophobicContact CB-CB 4.47Å; V506-V514 HydrophobicContact CG1-CB 4.29Å; V506-V514 PolarHBondContact O-N 2.82Å; D508-V514 HydrophobicContact CB-CG2 3.83Å; Q512-V514 PolarHBondContact O-N 3.29Å; V514-A516 PolarHBondContact O-N 2.97Å; V514-A516 VanDerWaalsContact O-N 3.12Å; V514-F532 HydrophobicContact CG1-CD2 4.45Å; V514-V533 WeakPolarHBondContact CG1-O 3.28Å; V514-Y544 HydrophobicContact CG2-CD1 4.16Å; V514-Y544 HydrophobicContact CG2-CE1 4.02Å; V514-S561 PolarHBondContact O-OG 2.9Å | ||
| 515 | P | 91.3 | Very high | 87.7 | Confident | 35 Ų | 35 | 50 Ų | 50 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | trans | -58.7 | 120.6 | 178 | -35.7 | 47.8 | 0 | 0 | 0 | 112 | F532 V533 Y692 | P515-F532 WeakPolarHBondContact O-CA 3.28Å; P515-V533 PolarHBondContact O-N 2.93Å; P515-V533 VanDerWaalsContact O-N 3.09Å; P515-Y692 HydrophobicContact CB-CD2 3.7Å; P515-Y692 HydrophobicContact CB-CE1 4.49Å; P515-Y692 HydrophobicContact CB-CE2 3.27Å; P515-Y692 HydrophobicContact CB-CG 4.5Å; P515-Y692 HydrophobicContact CG-CD2 4.21Å; P515-Y692 HydrophobicContact CG-CE2 3.27Å; P515-Y692 VanDerWaalsContact CG-CZ 3.47Å; P515-Y692 WeakPolarHBondContact CG-OH 3.49Å | ||
| 516 | A | 92.2 | Very high | 87.4 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V506 V514 L530 F531 F532 T562 Y563 | V506-A516 HydrophobicContact CB-CB 4.28Å; V506-A516 HydrophobicContact CG2-CB 3.89Å; V514-A516 PolarHBondContact O-N 2.97Å; V514-A516 VanDerWaalsContact O-N 3.12Å; A516-L530 HydrophobicContact CB-CD1 4.24Å; A516-F531 CarbonylContact C-O 3.59Å; A516-F531 WeakPolarHBondContact CA-O 3.21Å; A516-F532 HydrophobicContact CB-CB 3.85Å; A516-T562 HydrophobicContact CB-CG2 4.17Å; A516-T562 WeakPolarHBondContact O-CA 3.35Å; A516-Y563 PolarHBondContact O-N 3.44Å |
| 517 | Q | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 135.9 | 178.8 | 167.8 | 173.5 | -36 | 0 | 0 | 110.1 | L530 F531 Y563 A565 G662 V664 L665 | Q517-L530 WeakPolarHBondContact O-CA 3.42Å; Q517-F531 PolarHBondContact N-O 2.85Å; Q517-F531 PolarHBondContact O-N 3.27Å; Q517-Y563 CarbonylContact C-O 3.51Å; Q517-Y563 WeakPolarHBondContact CA-O 3.3Å; Q517-Y563 HydrophobicContact CG-CD1 4.38Å; Q517-Y563 WeakPolarHBondContact CG-O 3.19Å; Q517-A565 HydrophobicContact CG-CB 3.98Å; Q517-G662 VanDerWaalsContact OE1-C 3.32Å; Q517-V664 HydrophobicContact CB-CB 3.98Å; Q517-V664 HydrophobicContact CB-CG2 3.84Å; Q517-L665 PolarHBondContact NE2-O 2.99Å; Q517-L665 PolarHBondContact OE1-O 3.05Å |
| 518 | T | 92.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 145.5 | 169.8 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | P502 A504 D529 L530 T562 Y563 A565 | P502-T518 WeakPolarHBondContact O-CB 3.47Å; P502-T518 PolarHBondContact O-OG1 3.41Å; A504-T518 HydrophobicContact CB-CG2 4.44Å; T518-D529 WeakPolarHBondContact CA-O 3.32Å; T518-L530 HydrophobicContact CG2-CB 4.4Å; T518-L530 HydrophobicContact CG2-CD1 3.71Å; T518-T562 HydrophobicContact CG2-CG2 4.24Å; T518-Y563 PolarHBondContact N-O 3.24Å; T518-A565 PolarHBondContact O-N 2.71Å |
| 519 | Q | 92.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 163.6 | 172.6 | 63.2 | -168.4 | 58.4 | 0 | 0 | 110.9 | S521 Y528 D529 F531 A565 I660 E667 | Q519-S521 PolarHBondContact O-N 3.4Å; Q519-Y528 CarbonylContact O-C 3.07Å; Q519-Y528 WeakPolarHBondContact O-CA 3.16Å; Q519-Y528 WeakPolarHBondContact O-CB 3.46Å; Q519-D529 HydrophobicContact CG-CB 4.31Å; Q519-D529 PolarHBondContact N-O 2.74Å; Q519-D529 PolarHBondContact O-N 3.35Å; Q519-F531 HydrophobicContact CG-CD2 4.41Å; Q519-F531 HydrophobicContact CG-CE2 3.83Å; Q519-A565 HydrophobicContact CB-CB 4.21Å; Q519-I660 HydrophobicContact CB-CG2 4.07Å; Q519-E667 VanDerWaalsContact NE2-CD 3.29Å; Q519-E667 PolarHBondContact NE2-OE1 3.23Å |
| 520 | K | 90.9 | Very high | 88 | Confident | 136 Ų | 136 | 50.3 Ų | 50.3 | 59% | 0.591 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 134.3 | 173.3 | -71.5 | -173.3 | 177.4 | -177.8 | 0 | 110.3 | Y528 R669 | K520-Y528 HydrophobicContact CG-CE1 4.35Å; K520-R669 PolarHBondContact O-NH2 2.78Å |
| 521 | S | 89.4 | Confident | 88.3 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | trans | -64.3 | 143.1 | -174.7 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | Q519 L523 C524 S527 D529 | Q519-S521 PolarHBondContact O-N 3.4Å; S521-L523 PolarHBondContact O-N 2.99Å; S521-L523 PolarHBondContact OG-N 2.9Å; S521-C524 WeakPolarHBondContact CB-O 3.22Å; S521-S527 VanDerWaalsContact CB-O 3.29Å; S521-S527 WeakPolarHBondContact CB-O 3.1Å; S521-S527 WeakPolarHBondContact CB-OG 3.23Å; S521-S527 PolarHBondContact N-O 3.19Å; S521-D529 VanDerWaalsContact CA-OD2 3.28Å; S521-D529 WeakPolarHBondContact CA-OD2 3.35Å; S521-D529 WeakPolarHBondContact CB-OD1 3.34Å; S521-D529 PolarHBondContact OG-OD1 2.77Å; S521-D529 PolarHBondContact OG-OD2 3.48Å | ||
| 522 | A | 80.3 | Confident | 88.7 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -69.6 | -20.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D529 | A522-D529 PolarHBondContact N-OD2 2.89Å; A522-D529 VanDerWaalsContact N-OD2 3.13Å |
| 523 | L | 77.3 | Confident | 88.9 | Confident | 130 Ų | 130 | 38.2 Ų | 38.2 | 68% | 0.681 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -103.2 | -33.2 | -172.2 | -65.6 | 173.2 | 0 | 0 | 0 | 113.6 | S521 | S521-L523 PolarHBondContact O-N 2.99Å; S521-L523 PolarHBondContact OG-N 2.9Å |
| 524 | C | 78.8 | Confident | 89.1 | Confident | 59 Ų | 59 | 35.9 Ų | 35.9 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | trans | -143.1 | 127.2 | -175.3 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | S521 A526 S527 | S521-C524 WeakPolarHBondContact CB-O 3.22Å; C524-A526 PolarHBondContact O-N 3.44Å; C524-A526 PolarHBondContact SG-N 3.42Å; C524-S527 WeakPolarHBondContact CB-OG 3.5Å; C524-S527 PolarHBondContact O-N 2.72Å; C524-S527 PolarHBondContact O-OG 2.79Å | ||
| 525 | N | 76.7 | Confident | 89.1 | Confident | 160 Ų | 160 | 40.3 Ų | 40.3 | 86% | 0.856 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.6 | -178 | -69.6 | -14.6 | 0 | 0 | 0 | 113.7 | ||
| 526 | A | 82.4 | Confident | 89.2 | Confident | 84 Ų | 84 | 38.9 Ų | 38.9 | 69% | 0.694 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C524 | C524-A526 PolarHBondContact O-N 3.44Å; C524-A526 PolarHBondContact SG-N 3.42Å |
| 527 | S | 91.2 | Very high | 89.3 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | trans | -124.1 | 166.1 | -179.1 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | T498 S521 C524 | T498-S527 WeakPolarHBondContact CG2-OG 3.4Å; S521-S527 VanDerWaalsContact CB-O 3.29Å; S521-S527 WeakPolarHBondContact CB-O 3.1Å; S521-S527 WeakPolarHBondContact CB-OG 3.23Å; S521-S527 PolarHBondContact N-O 3.19Å; C524-S527 WeakPolarHBondContact CB-OG 3.5Å; C524-S527 PolarHBondContact O-N 2.72Å; C524-S527 PolarHBondContact O-OG 2.79Å | ||
| 528 | Y | 91.3 | Very high | 89.5 | Confident | 65 Ų | 65 | 39.2 Ų | 39.2 | 26% | 0.255 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.2 | 177.9 | -59.3 | -93.6 | 0 | 0 | 0 | 109.4 | T498 V499 F501 P502 Q519 K520 | T498-Y528 CarbonylContact C-O 3.23Å; T498-Y528 WeakPolarHBondContact CA-O 3.49Å; V499-Y528 PolarHBondContact N-O 2.74Å; V499-Y528 PolarHBondContact O-N 3.07Å; F501-Y528 VanDerWaalsContact C-CD2 3.44Å; F501-Y528 WeakPolarHBondContact O-CD2 3.45Å; P502-Y528 HydrophobicContact CB-CD1 4.34Å; P502-Y528 HydrophobicContact CB-CE1 3.77Å; P502-Y528 HydrophobicContact CB-CE2 4.02Å; Q519-Y528 CarbonylContact O-C 3.07Å; Q519-Y528 WeakPolarHBondContact O-CA 3.16Å; Q519-Y528 WeakPolarHBondContact O-CB 3.46Å; K520-Y528 HydrophobicContact CG-CE1 4.35Å |
| 529 | D | 93.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 122.6 | 168.9 | -63.5 | -23.1 | 0 | 0 | 0 | 107.8 | T518 Q519 S521 A522 F531 | T518-D529 WeakPolarHBondContact CA-O 3.32Å; Q519-D529 HydrophobicContact CG-CB 4.31Å; Q519-D529 PolarHBondContact N-O 2.74Å; Q519-D529 PolarHBondContact O-N 3.35Å; S521-D529 VanDerWaalsContact CA-OD2 3.28Å; S521-D529 WeakPolarHBondContact CA-OD2 3.35Å; S521-D529 WeakPolarHBondContact CB-OD1 3.34Å; S521-D529 PolarHBondContact OG-OD1 2.77Å; S521-D529 PolarHBondContact OG-OD2 3.48Å; A522-D529 PolarHBondContact N-OD2 2.89Å; A522-D529 VanDerWaalsContact N-OD2 3.13Å; D529-F531 HydrophobicContact CB-CD2 4.47Å; D529-F531 HydrophobicContact CB-CE2 3.66Å; D529-F531 HydrophobicContact CB-CZ 3.9Å |
| 530 | L | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.4 | 172.3 | 172.2 | 63.5 | 0 | 0 | 0 | 108.8 | N496 M497 V499 A504 V506 A516 Q517 T518 F532 V546 | N496-L530 WeakPolarHBondContact CA-O 3.37Å; M497-L530 PolarHBondContact N-O 2.83Å; M497-L530 PolarHBondContact O-N 3.44Å; V499-L530 HydrophobicContact CG1-CB 3.98Å; V499-L530 HydrophobicContact CG1-CD2 4.22Å; V499-L530 HydrophobicContact CG2-CB 4.08Å; A504-L530 HydrophobicContact CB-CD1 4.19Å; A504-L530 HydrophobicContact CB-CD2 4Å; V506-L530 HydrophobicContact CG2-CD1 4.22Å; V506-L530 HydrophobicContact CG2-CD2 4.08Å; A516-L530 HydrophobicContact CB-CD1 4.24Å; Q517-L530 WeakPolarHBondContact O-CA 3.42Å; T518-L530 HydrophobicContact CG2-CB 4.4Å; T518-L530 HydrophobicContact CG2-CD1 3.71Å; L530-F532 HydrophobicContact CG-CD1 4.44Å; L530-V546 HydrophobicContact CD2-CG1 3.68Å |
| 531 | F | 94.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.8 | 172.9 | -60.8 | -78.7 | 0 | 0 | 0 | 109.5 | V494 V495 N496 A516 Q517 Q519 D529 V664 L665 | V494-F531 HydrophobicContact CG1-CB 3.79Å; V494-F531 HydrophobicContact CG1-CD1 3.79Å; V494-F531 HydrophobicContact CG1-CG 4.25Å; V495-F531 VanDerWaalsContact O-CA 3.28Å; V495-F531 WeakPolarHBondContact O-CA 3.08Å; N496-F531 HydrophobicContact CB-CD1 3.96Å; N496-F531 HydrophobicContact CB-CE1 3.77Å; N496-F531 VanDerWaalsContact CG-CE1 3.49Å; A516-F531 CarbonylContact C-O 3.59Å; A516-F531 WeakPolarHBondContact CA-O 3.21Å; Q517-F531 PolarHBondContact N-O 2.85Å; Q517-F531 PolarHBondContact O-N 3.27Å; Q519-F531 HydrophobicContact CG-CD2 4.41Å; Q519-F531 HydrophobicContact CG-CE2 3.83Å; D529-F531 HydrophobicContact CB-CD2 4.47Å; D529-F531 HydrophobicContact CB-CE2 3.66Å; D529-F531 HydrophobicContact CB-CZ 3.9Å; F531-V664 HydrophobicContact CB-CG1 4.35Å; F531-L665 HydrophobicContact CB-CD2 4.42Å; F531-L665 HydrophobicContact CD1-CD2 3.77Å; F531-L665 HydrophobicContact CE1-CD2 4.11Å; F531-L665 HydrophobicContact CG-CD2 3.98Å |
| 532 | F | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 153 | 170.5 | 68.6 | -89 | 0 | 0 | 0 | 111.5 | V483 V494 V495 M497 V506 V514 P515 A516 L530 Y544 | V483-F532 HydrophobicContact CG2-CE2 4.37Å; V483-F532 HydrophobicContact CG2-CZ 4.18Å; V494-F532 CarbonylContact C-O 3.56Å; V494-F532 WeakPolarHBondContact CA-O 3.08Å; V495-F532 HydrophobicContact CB-CD1 3.99Å; V495-F532 HydrophobicContact CB-CD2 4.29Å; V495-F532 HydrophobicContact CB-CE1 3.55Å; V495-F532 HydrophobicContact CB-CE2 3.88Å; V495-F532 HydrophobicContact CB-CG 4.35Å; V495-F532 HydrophobicContact CB-CZ 3.49Å; V495-F532 VanDerWaalsContact CB-CZ 3.49Å; V495-F532 HydrophobicContact CG1-CD1 4.18Å; V495-F532 HydrophobicContact CG1-CE1 3.36Å; V495-F532 HydrophobicContact CG1-CE2 4.33Å; V495-F532 HydrophobicContact CG1-CZ 3.45Å; V495-F532 VanDerWaalsContact CG1-CZ 3.45Å; V495-F532 HydrophobicContact CG2-CE1 4.42Å; V495-F532 HydrophobicContact CG2-CE2 3.93Å; V495-F532 HydrophobicContact CG2-CZ 3.85Å; V495-F532 PolarHBondContact N-O 3.12Å; V495-F532 PolarHBondContact O-N 3.3Å; V495-F532 VanDerWaalsContact O-N 3.08Å; M497-F532 HydrophobicContact SD-CE1 3.96Å; V506-F532 HydrophobicContact CB-CB 4.37Å; V506-F532 HydrophobicContact CG1-CB 4.3Å; V506-F532 HydrophobicContact CG1-CD1 4.45Å; V506-F532 HydrophobicContact CG1-CD2 3.98Å; V506-F532 HydrophobicContact CG1-CE2 4.39Å; V506-F532 HydrophobicContact CG1-CG 4Å; V506-F532 HydrophobicContact CG2-CB 4.1Å; V506-F532 HydrophobicContact CG2-CD1 4.31Å; V506-F532 HydrophobicContact CG2-CG 4.27Å; V514-F532 HydrophobicContact CG1-CD2 4.45Å; P515-F532 WeakPolarHBondContact O-CA 3.28Å; A516-F532 HydrophobicContact CB-CB 3.85Å; L530-F532 HydrophobicContact CG-CD1 4.44Å; F532-Y544 HydrophobicContact CD2-CD1 4.32Å; F532-Y544 HydrophobicContact CD2-CE1 4.45Å; F532-Y544 AromaticContact CE2-CD1 3.92Å; F532-Y544 HydrophobicContact CE2-CD1 3.92Å; F532-Y544 HydrophobicContact CE2-CD2 4.16Å; F532-Y544 HydrophobicContact CE2-CE1 4.14Å; F532-Y544 HydrophobicContact CE2-CE2 4.4Å; F532-Y544 AromaticContact CE2-CG 3.93Å; F532-Y544 HydrophobicContact CE2-CG 3.93Å; F532-Y544 HydrophobicContact CZ-CG 4.47Å |
| 533 | V | 92.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 114.6 | -174.2 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | T492 V494 V514 P515 V664 Y692 | T492-V533 HydrophobicContact CG2-CG1 3.5Å; V494-V533 HydrophobicContact CG2-CG2 4.28Å; V514-V533 WeakPolarHBondContact CG1-O 3.28Å; P515-V533 PolarHBondContact O-N 2.93Å; P515-V533 VanDerWaalsContact O-N 3.09Å; V533-V664 HydrophobicContact CG2-CG1 3.85Å; V533-Y692 HydrophobicContact CB-CD1 3.91Å; V533-Y692 HydrophobicContact CB-CE1 3.89Å; V533-Y692 HydrophobicContact CG1-CD1 3.72Å; V533-Y692 HydrophobicContact CG1-CE1 3.64Å; V533-Y692 HydrophobicContact CG2-CD1 3.34Å; V533-Y692 HydrophobicContact CG2-CE1 3.82Å; V533-Y692 HydrophobicContact CG2-CG 3.76Å |
| 534 | A | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V483 T492 S493 V495 L536 Y544 | V483-A534 HydrophobicContact CG1-CB 4.33Å; T492-A534 WeakPolarHBondContact CA-O 3.49Å; S493-A534 PolarHBondContact N-O 2.88Å; S493-A534 PolarHBondContact O-N 3.27Å; V495-A534 HydrophobicContact CG2-CB 3.9Å; A534-L536 HydrophobicContact CB-CD1 4.2Å; A534-L536 HydrophobicContact CB-CG 4.33Å; A534-Y544 WeakPolarHBondContact CA-OH 3.1Å; A534-Y544 HydrophobicContact CB-CE2 4.45Å; A534-Y544 WeakPolarHBondContact CB-OH 3.28Å |
| 535 | Q | 92.3 | Very high | 91.6 | Very high | 106 Ų | 106 | 28.4 Ų | 28.4 | 50% | 0.495 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118.2 | 169 | -67.1 | -177.8 | -1.6 | 0 | 0 | 108.8 | T492 R542 | T492-Q535 HydrophobicContact CG2-CG 4.26Å; Q535-R542 WeakPolarHBondContact O-CD 3.28Å; Q535-R542 PolarHBondContact O-NH1 3.19Å |
| 536 | L | 92.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.2 | -170.9 | -61.7 | 163.5 | 0 | 0 | 0 | 110.2 | V483 N485 N490 I491 A534 R542 P848 | V483-L536 HydrophobicContact CB-CD1 4.3Å; V483-L536 HydrophobicContact CG1-CD1 3.61Å; N485-L536 HydrophobicContact CB-CB 3.7Å; N485-L536 HydrophobicContact CB-CD1 3.97Å; N485-L536 HydrophobicContact CB-CG 4.42Å; N490-L536 WeakPolarHBondContact CA-O 3.26Å; I491-L536 HydrophobicContact CG1-CB 4.18Å; I491-L536 PolarHBondContact N-O 2.6Å; I491-L536 PolarHBondContact O-N 3.09Å; A534-L536 HydrophobicContact CB-CD1 4.2Å; A534-L536 HydrophobicContact CB-CG 4.33Å; L536-R542 HydrophobicContact CD2-CB 3.93Å; L536-R542 HydrophobicContact CD2-CG 3.81Å; L536-P848 HydrophobicContact CD1-CB 4.23Å; L536-P848 HydrophobicContact CD1-CG 4.32Å |
| 537 | G | 94.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 8% | 0.082 | 9% | 0.093 | C | C | . | . | trans | -70.1 | 164.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | N485 N490 Q540 | N485-G537 PolarHBondContact ND2-O 3.48Å; N490-G537 VanDerWaalsContact OD1-CA 3.29Å; N490-G537 WeakPolarHBondContact OD1-CA 3.23Å; G537-Q540 VanDerWaalsContact O-CB 3.25Å; G537-Q540 WeakPolarHBondContact O-CB 3.39Å; G537-Q540 PolarHBondContact O-N 2.91Å | ||
| 538 | G | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 135.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L487 W489 N490 Q540 P873 V874 | L487-G538 CarbonylContact O-C 3.53Å; L487-G538 WeakPolarHBondContact O-CA 3.33Å; W489-G538 WeakPolarHBondContact O-CA 3.34Å; W489-G538 PolarHBondContact O-N 2.82Å; N490-G538 PolarHBondContact OD1-N 3.19Å; G538-Q540 PolarHBondContact O-N 3.04Å; G538-P873 CarbonylContact O-C 3.55Å; G538-P873 WeakPolarHBondContact O-CA 3.08Å; G538-V874 CarbonylContact C-O 2.98Å; G538-V874 VanDerWaalsContact CA-O 3.24Å; G538-V874 WeakPolarHBondContact CA-O 3.31Å; G538-V874 PolarHBondContact O-N 2.79Å |
| 539 | L | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 30.1 | -173.8 | -52.2 | -172.7 | 0 | 0 | 0 | 114.2 | T382 R386 N485 P486 L487 V874 L882 L885 L949 | T382-L539 HydrophobicContact CG2-CD2 4.29Å; R386-L539 PolarHBondContact NH1-O 3.4Å; N485-L539 WeakPolarHBondContact O-CA 3.18Å; N485-L539 PolarHBondContact O-N 2.83Å; P486-L539 WeakPolarHBondContact O-CD2 3.38Å; L487-L539 PolarHBondContact O-N 2.46Å; L539-V874 HydrophobicContact CB-CB 4.41Å; L539-V874 HydrophobicContact CD1-CB 3.94Å; L539-V874 HydrophobicContact CD1-CG1 4.28Å; L539-V874 HydrophobicContact CD1-CG2 4.04Å; L539-V874 HydrophobicContact CG-CB 4.17Å; L539-L882 HydrophobicContact CD1-CD2 3.93Å; L539-L882 HydrophobicContact CD2-CD2 4.37Å; L539-L885 HydrophobicContact CD1-CD2 3.74Å; L539-L949 HydrophobicContact CD1-CD2 4.14Å |
| 540 | Q | 92.8 | Very high | 90.6 | Very high | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.103 | 13% | 0.125 | C | C | . | . | trans | -110 | 147 | -178.4 | -172.3 | 179.4 | 56.1 | 0 | 0 | 111.1 | Y484 N485 G537 G538 V871 | Y484-Q540 WeakPolarHBondContact CD2-O 3.38Å; N485-Q540 PolarHBondContact N-O 2.74Å; G537-Q540 VanDerWaalsContact O-CB 3.25Å; G537-Q540 WeakPolarHBondContact O-CB 3.39Å; G537-Q540 PolarHBondContact O-N 2.91Å; G538-Q540 PolarHBondContact O-N 3.04Å; Q540-V871 PolarHBondContact NE2-O 3.08Å | ||
| 541 | H | 92.3 | Very high | 89.4 | Confident | 28 Ų | 28 | 29.9 Ų | 29.9 | 13% | 0.13 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152.7 | 165.6 | 63.7 | -87.8 | 0 | 0 | 0 | 110.9 | F452 I482 V483 Y484 | F452-H541 HydrophobicContact CE1-CB 3.91Å; F452-H541 AromaticContact CE1-CG 3.75Å; F452-H541 AromaticContact CE1-ND1 3.97Å; F452-H541 HydrophobicContact CZ-CB 4.45Å; I482-H541 HydrophobicContact CG2-CB 4.06Å; V483-H541 CarbonylContact O-C 3.58Å; V483-H541 WeakPolarHBondContact O-CA 3.23Å; Y484-H541 HydrophobicContact CD2-CB 3.91Å; Y484-H541 HydrophobicContact CG-CB 4.43Å |
| 542 | R | 91 | Very high | 87.9 | Confident | 37 Ų | 37 | 32.4 Ų | 32.4 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.3 | 171.3 | -66.8 | -176.4 | 73.3 | -174.4 | 2.1 | 110.3 | I482 V483 D508 D509 D510 Q535 L536 Y544 | I482-R542 WeakPolarHBondContact CA-O 3.45Å; V483-R542 PolarHBondContact N-O 2.67Å; V483-R542 PolarHBondContact O-N 2.92Å; D508-R542 IonicContact OD2-CZ 2.71Å; D508-R542 IonicContact OD2-NH2 3.65Å; D508-R542 PolarHBondContact OD2-NH2 2.73Å; D509-R542 IonicContact OD1-CZ 3.28Å; D509-R542 IonicContact OD1-NE 3.09Å; D509-R542 PolarHBondContact OD1-NE 3.33Å; D509-R542 IonicContact OD1-NH2 3.17Å; D509-R542 PolarHBondContact OD1-NH2 3.46Å; D509-R542 IonicContact OD2-NE 2.72Å; D510-R542 IonicContact OD2-NH2 3.65Å; Q535-R542 WeakPolarHBondContact O-CD 3.28Å; Q535-R542 PolarHBondContact O-NH1 3.19Å; L536-R542 HydrophobicContact CD2-CB 3.93Å; L536-R542 HydrophobicContact CD2-CG 3.81Å; R542-Y544 HydrophobicContact CB-CE2 3.79Å |
| 543 | K | 90.8 | Very high | 86.4 | Confident | 35 Ų | 35 | 33.8 Ų | 33.8 | 15% | 0.152 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 137.2 | 174.1 | -177.5 | 176.2 | 172.9 | 177.8 | 0 | 108.8 | H480 V481 D508 D509 I853 E864 F867 | H480-K543 WeakPolarHBondContact CD2-CE 3.42Å; H480-K543 VanDerWaalsContact CG-CE 3.46Å; V481-K543 CarbonylContact O-C 3.45Å; V481-K543 WeakPolarHBondContact O-CA 3.47Å; D508-K543 CarbonylContact C-O 3.6Å; D509-K543 PolarHBondContact N-O 3.09Å; D509-K543 VanDerWaalsContact N-O 3.1Å; K543-I853 HydrophobicContact CD-CD1 4.4Å; K543-E864 IonicContact NZ-OE2 3.69Å; K543-E864 PolarHBondContact NZ-OE2 3.43Å; K543-F867 HydrophobicContact CD-CD2 4.41Å |
| 544 | Y | 92.1 | Very high | 84.6 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.2 | 175 | -63.1 | -97.2 | 0 | 0 | 0 | 109 | H480 V481 V483 V506 R507 D508 V514 F532 A534 R542 | H480-Y544 CarbonylContact C-O 3.51Å; H480-Y544 WeakPolarHBondContact CA-O 3.47Å; V481-Y544 PolarHBondContact N-O 3.02Å; V481-Y544 PolarHBondContact O-N 2.84Å; V483-Y544 HydrophobicContact CB-CD2 4.34Å; V483-Y544 HydrophobicContact CB-CE2 3.94Å; V483-Y544 HydrophobicContact CG2-CD2 3.69Å; V483-Y544 HydrophobicContact CG2-CE2 3.7Å; V506-Y544 HydrophobicContact CG1-CD1 4.15Å; R507-Y544 CarbonylContact O-C 3.54Å; R507-Y544 WeakPolarHBondContact O-CA 3.35Å; R507-Y544 WeakPolarHBondContact O-CB 3.33Å; D508-Y544 HydrophobicContact CB-CD1 4.22Å; D508-Y544 HydrophobicContact CB-CE1 4.09Å; V514-Y544 HydrophobicContact CG2-CD1 4.16Å; V514-Y544 HydrophobicContact CG2-CE1 4.02Å; F532-Y544 HydrophobicContact CD2-CD1 4.32Å; F532-Y544 HydrophobicContact CD2-CE1 4.45Å; F532-Y544 AromaticContact CE2-CD1 3.92Å; F532-Y544 HydrophobicContact CE2-CD1 3.92Å; F532-Y544 HydrophobicContact CE2-CD2 4.16Å; F532-Y544 HydrophobicContact CE2-CE1 4.14Å; F532-Y544 HydrophobicContact CE2-CE2 4.4Å; F532-Y544 AromaticContact CE2-CG 3.93Å; F532-Y544 HydrophobicContact CE2-CG 3.93Å; F532-Y544 HydrophobicContact CZ-CG 4.47Å; A534-Y544 WeakPolarHBondContact CA-OH 3.1Å; A534-Y544 HydrophobicContact CB-CE2 4.45Å; A534-Y544 WeakPolarHBondContact CB-OH 3.28Å; R542-Y544 HydrophobicContact CB-CE2 3.79Å |
| 545 | S | 92 | Very high | 82.7 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.6 | 168.5 | 72.3 | 0 | 0 | 0 | 0 | 110.5 | V506 R507 | V506-S545 CarbonylContact C-O 3.58Å; V506-S545 WeakPolarHBondContact CA-O 3.46Å; R507-S545 PolarHBondContact N-O 3.15Å; R507-S545 PolarHBondContact O-N 3.32Å |
| 546 | V | 91.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 110.4 | -177.5 | -174 | 0 | 0 | 0 | 0 | 107.9 | E478 Q479 V481 A504 V505 V506 L530 F548 | E478-V546 CarbonylContact C-O 3.58Å; E478-V546 WeakPolarHBondContact CA-O 3.39Å; Q479-V546 PolarHBondContact N-O 3.25Å; Q479-V546 PolarHBondContact O-N 3.36Å; V481-V546 HydrophobicContact CG2-CG2 4.08Å; A504-V546 HydrophobicContact CB-CG1 3.86Å; V505-V546 CarbonylContact O-C 3.49Å; V505-V546 WeakPolarHBondContact O-CA 3.32Å; V506-V546 HydrophobicContact CG1-CG2 4.49Å; V506-V546 HydrophobicContact CG2-CG1 4.44Å; V506-V546 HydrophobicContact CG2-CG2 4.34Å; L530-V546 HydrophobicContact CD2-CG1 3.68Å; V546-F548 HydrophobicContact CB-CZ 4.21Å; V546-F548 HydrophobicContact CG1-CD1 4.21Å; V546-F548 HydrophobicContact CG1-CE1 3.55Å; V546-F548 HydrophobicContact CG1-CE2 4.28Å; V546-F548 HydrophobicContact CG1-CZ 3.6Å |
| 547 | Q | 88.5 | Confident | 78.6 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.4 | -178.4 | -65.5 | 177.5 | -2.7 | 0 | 0 | 110 | L477 E478 A504 V505 | L477-Q547 CarbonylContact O-C 3.56Å; L477-Q547 WeakPolarHBondContact O-CA 3.27Å; E478-Q547 HydrophobicContact CB-CG 4.35Å; E478-Q547 HydrophobicContact CG-CG 4.06Å; E478-Q547 PolarHBondContact OE1-NE2 3.35Å; A504-Q547 CarbonylContact C-O 3.52Å; A504-Q547 VanDerWaalsContact CA-O 3.22Å; A504-Q547 WeakPolarHBondContact CA-O 3.22Å; V505-Q547 HydrophobicContact CB-CB 4.46Å; V505-Q547 PolarHBondContact N-O 3.02Å; V505-Q547 PolarHBondContact O-N 3.25Å |
| 548 | F | 86 | Confident | 76.8 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 144.4 | -175.9 | -56.7 | -72.3 | 0 | 0 | 0 | 113 | A476 L477 Q479 V499 F501 A504 V546 P856 | A476-F548 WeakPolarHBondContact CB-O 3.44Å; L477-F548 HydrophobicContact CB-CB 4.41Å; L477-F548 HydrophobicContact CB-CD2 4.25Å; L477-F548 WeakPolarHBondContact O-CD2 3.38Å; L477-F548 PolarHBondContact O-N 3.18Å; Q479-F548 HydrophobicContact CB-CE2 3.66Å; Q479-F548 HydrophobicContact CB-CZ 4.22Å; V499-F548 HydrophobicContact CB-CE1 3.9Å; V499-F548 HydrophobicContact CG1-CE1 3.76Å; V499-F548 HydrophobicContact CG1-CZ 4.3Å; F501-F548 HydrophobicContact CB-CB 4.01Å; F501-F548 HydrophobicContact CB-CD1 4.17Å; F501-F548 HydrophobicContact CB-CG 4.44Å; F501-F548 HydrophobicContact CD1-CB 4.45Å; F501-F548 HydrophobicContact CD2-CB 3.5Å; F501-F548 AromaticContact CD2-CD1 3.82Å; F501-F548 HydrophobicContact CD2-CD1 3.82Å; F501-F548 HydrophobicContact CD2-CD2 4.28Å; F501-F548 AromaticContact CD2-CG 3.6Å; F501-F548 HydrophobicContact CD2-CG 3.6Å; F501-F548 HydrophobicContact CE2-CB 4.09Å; F501-F548 HydrophobicContact CE2-CD2 4.49Å; F501-F548 HydrophobicContact CE2-CG 4.21Å; F501-F548 HydrophobicContact CG-CB 3.73Å; F501-F548 HydrophobicContact CG-CD1 4.37Å; F501-F548 HydrophobicContact CG-CG 4.24Å; A504-F548 HydrophobicContact CB-CD1 3.87Å; A504-F548 HydrophobicContact CB-CE1 4.16Å; V546-F548 HydrophobicContact CB-CZ 4.21Å; V546-F548 HydrophobicContact CG1-CD1 4.21Å; V546-F548 HydrophobicContact CG1-CE1 3.55Å; V546-F548 HydrophobicContact CG1-CE2 4.28Å; V546-F548 HydrophobicContact CG1-CZ 3.6Å; F548-P856 HydrophobicContact CD2-CB 4.14Å; F548-P856 HydrophobicContact CD2-CG 4.43Å; F548-P856 HydrophobicContact CE2-CB 4.02Å; F548-P856 HydrophobicContact CE2-CG 3.87Å |
| 549 | S | 77.6 | Confident | 75 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134.8 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | S503 T551 | S503-S549 PolarHBondContact O-N 2.92Å; S549-T551 VanDerWaalsContact C-N 3.27Å; S549-T551 PolarHBondContact OG-N 2.95Å; S549-T551 VanDerWaalsContact OG-N 3.1Å; S549-T551 PolarHBondContact OG-O 2.78Å; S549-T551 VanDerWaalsContact OG-O 3.1Å; S549-T551 PolarHBondContact OG-OG1 3.34Å |
| 550 | E | 70.3 | Confident | 73.2 | Confident | 162 Ų | 162 | 66 Ų | 66 | 76% | 0.757 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -73.2 | -20 | 171.3 | -67.5 | -177.7 | 176.3 | 0 | 0 | 112.6 | F501 | F501-E550 HydrophobicContact CD1-CG 3.95Å; F501-E550 HydrophobicContact CE1-CG 3.84Å |
| 551 | T | 67.9 | Low | 71.8 | Confident | 93 Ų | 93 | 67 Ų | 67 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -92.6 | 132.6 | -179.5 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | S549 | S549-T551 VanDerWaalsContact C-N 3.27Å; S549-T551 PolarHBondContact OG-N 2.95Å; S549-T551 VanDerWaalsContact OG-N 3.1Å; S549-T551 PolarHBondContact OG-O 2.78Å; S549-T551 VanDerWaalsContact OG-O 3.1Å; S549-T551 PolarHBondContact OG-OG1 3.34Å |
| 552 | S | 63 | Low | 71 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | -64.9 | 149.7 | 175.2 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | S554 E564 | S552-S554 PolarHBondContact O-N 2.73Å; S552-E564 WeakPolarHBondContact CB-OE2 3.13Å | ||
| 553 | C | 64.1 | Low | 70.7 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | trans | -78.6 | 64.9 | -177.5 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | S503 G555 C559 E564 | S503-C553 PolarHBondContact OG-SG 2.81Å; C553-G555 PolarHBondContact O-N 2.7Å; C553-C559 HydrophobicContact CB-CB 4.03Å; C553-C559 WeakPolarHBondContact CB-SG 3.46Å; C553-C559 WeakPolarHBondContact SG-CB 3.41Å; C553-C559 CovalentContact SG-SG 2.04Å; C553-C559 PolarHBondContact SG-SG 2.81Å; C553-E564 PolarHBondContact N-OE2 3.12Å | ||
| 554 | S | 52.3 | Low | 70.5 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 63% | 0.629 | 38% | 0.378 | S | S | * | . | trans | -94 | 85.6 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | S552 | S552-S554 PolarHBondContact O-N 2.73Š| ||
| 555 | G | 53.3 | Low | 70.4 | Confident | 54 Ų | 54 | 69.1 Ų | 69.1 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 152.6 | 155.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C553 S557 | C553-G555 PolarHBondContact O-N 2.7Å; G555-S557 PolarHBondContact O-N 2.69Å |
| 556 | K | 46.6 | Very low | 70.3 | Confident | 228 Ų | 228 | 76.8 Ų | 76.8 | 99% | 0.991 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -3.2 | -172.7 | -75.9 | -176.1 | 176.5 | -180 | 0 | 115.9 | ||
| 557 | S | 51.8 | Low | 70.3 | Confident | 113 Ų | 113 | 79.3 Ų | 79.3 | 79% | 0.79 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.1 | 25.4 | -167.7 | 69.1 | 0 | 0 | 0 | 0 | 117.5 | G555 | G555-S557 PolarHBondContact O-N 2.69Š|
| 558 | K | 56.4 | Low | 70.6 | Confident | 163 Ų | 163 | 80 Ų | 80 | 71% | 0.709 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -107.5 | -16.8 | -177.7 | -80.9 | -170.8 | 176.6 | -178.2 | 0 | 117.6 | ||
| 559 | C | 58.9 | Low | 71 | Confident | 17 Ų | 17 | 83 Ų | 83 | 12% | 0.115 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -126 | 18.1 | -170.5 | -59.9 | 0 | 0 | 0 | 0 | 115.2 | C553 S561 T562 | C553-C559 HydrophobicContact CB-CB 4.03Å; C553-C559 WeakPolarHBondContact CB-SG 3.46Å; C553-C559 WeakPolarHBondContact SG-CB 3.41Å; C553-C559 CovalentContact SG-SG 2.04Å; C553-C559 PolarHBondContact SG-SG 2.81Å; C559-S561 PolarHBondContact O-N 3.21Å; C559-T562 PolarHBondContact O-N 2.94Å |
| 560 | E | 57.9 | Low | 71.9 | Confident | 138 Ų | 138 | 83.3 Ų | 83.3 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | -27.4 | 171.4 | -66.6 | -173.7 | -171 | 0 | 0 | 119.9 | R507 | R507-E560 IonicContact CZ-OE2 2.9Å; R507-E560 IonicContact NH1-OE2 3.77Å; R507-E560 IonicContact NH2-OE1 3.87Å; R507-E560 IonicContact NH2-OE2 2.77Å; R507-E560 PolarHBondContact NH2-OE2 3.17Å |
| 561 | S | 63 | Low | 73 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -168.8 | -14.8 | 176.7 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | P513 V514 C559 | P513-S561 WeakPolarHBondContact CB-OG 3.35Å; V514-S561 PolarHBondContact O-OG 2.9Å; C559-S561 PolarHBondContact O-N 3.21Å |
| 562 | T | 75.9 | Confident | 74.3 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 7% | 0.074 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 131.6 | -177.8 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | A504 A516 T518 C559 | A504-T562 WeakPolarHBondContact O-CB 3.31Å; A504-T562 WeakPolarHBondContact O-CG2 3.39Å; A504-T562 PolarHBondContact O-OG1 3.2Å; A516-T562 HydrophobicContact CB-CG2 4.17Å; A516-T562 WeakPolarHBondContact O-CA 3.35Å; T518-T562 HydrophobicContact CG2-CG2 4.24Å; C559-T562 PolarHBondContact O-N 2.94Å |
| 563 | Y | 85.2 | Confident | 75.8 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 31% | 0.314 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.8 | 176.1 | -176 | -104.2 | 0 | 0 | 0 | 112.4 | A516 Q517 T518 A565 P661 K663 | A516-Y563 PolarHBondContact O-N 3.44Å; Q517-Y563 CarbonylContact C-O 3.51Å; Q517-Y563 WeakPolarHBondContact CA-O 3.3Å; Q517-Y563 HydrophobicContact CG-CD1 4.38Å; Q517-Y563 WeakPolarHBondContact CG-O 3.19Å; T518-Y563 PolarHBondContact N-O 3.24Å; Y563-A565 HydrophobicContact CD1-CB 3.95Å; Y563-A565 HydrophobicContact CE1-CB 3.76Å; Y563-A565 PolarHBondContact O-N 2.94Å; Y563-P661 WeakPolarHBondContact CE1-O 3.44Å; Y563-K663 HydrophobicContact CD1-CB 4.3Å; Y563-K663 HydrophobicContact CD1-CG 4.05Å; Y563-K663 HydrophobicContact CD2-CD 3.71Å; Y563-K663 HydrophobicContact CD2-CG 3.76Å; Y563-K663 HydrophobicContact CE1-CG 4.48Å; Y563-K663 HydrophobicContact CE2-CD 4.39Å; Y563-K663 HydrophobicContact CE2-CG 4.22Å; Y563-K663 HydrophobicContact CG-CB 4.05Å; Y563-K663 HydrophobicContact CG-CD 3.91Å; Y563-K663 HydrophobicContact CG-CG 3.65Å |
| 564 | E | 87.1 | Confident | 77.4 | Confident | 47 Ų | 47 | 85.1 Ų | 85.1 | 22% | 0.22 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 103 | 172.1 | -170.3 | -175.9 | 150.2 | 0 | 0 | 109.2 | S552 C553 | S552-E564 WeakPolarHBondContact CB-OE2 3.13Å; C553-E564 PolarHBondContact N-OE2 3.12Å |
| 565 | A | 89.6 | Confident | 79.4 | Confident | 9 Ų | 9 | 82.6 Ų | 82.6 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | trans | -81.5 | 135.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q517 T518 Q519 Y563 I660 | Q517-A565 HydrophobicContact CG-CB 3.98Å; T518-A565 PolarHBondContact O-N 2.71Å; Q519-A565 HydrophobicContact CB-CB 4.21Å; Y563-A565 HydrophobicContact CD1-CB 3.95Å; Y563-A565 HydrophobicContact CE1-CB 3.76Å; Y563-A565 PolarHBondContact O-N 2.94Å; A565-I660 HydrophobicContact CB-CG2 3.67Å | ||
| 566 | R | 89.3 | Confident | 81.3 | Confident | 177 Ų | 177 | 86.7 Ų | 86.7 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | trans | -110.2 | 139.8 | -178.3 | -65.3 | -174.9 | 179.1 | -176.2 | -0.6 | 110.2 | P661 | R566-P661 WeakPolarHBondContact O-CD 3.42Š| ||
| 567 | S | 92.1 | Very high | 83.5 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | trans | -84.6 | 148.7 | -179.6 | 70 | 0 | 0 | 0 | 0 | 113 | E658 | S567-E658 WeakPolarHBondContact CB-OE1 3.49Å; S567-E658 PolarHBondContact OG-OE1 3.44Å | ||
| 568 | V | 94.9 | Very high | 85.4 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 110.2 | 171.9 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | F570 E658 I659 | V568-F570 HydrophobicContact CB-CE2 4.32Å; V568-F570 HydrophobicContact CG1-CE2 3.91Å; V568-F570 HydrophobicContact CG1-CZ 3.94Å; V568-F570 WeakPolarHBondContact O-CE2 3.24Å; V568-E658 WeakPolarHBondContact O-CA 3.32Å; V568-I659 PolarHBondContact N-O 3.34Å; V568-I659 PolarHBondContact O-N 2.7Å |
| 569 | A | 94.3 | Very high | 86.6 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 60% | 0.595 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 143.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 570 | F | 95.3 | Very high | 87.7 | Confident | 41 Ų | 41 | 85.9 Ų | 85.9 | 18% | 0.18 | 40% | 0.398 | C | S | . | . | trans | -114 | 149.6 | 176.3 | -64.2 | -97.3 | 0 | 0 | 0 | 110.1 | V568 R572 L586 Q599 M657 I659 | V568-F570 HydrophobicContact CB-CE2 4.32Å; V568-F570 HydrophobicContact CG1-CE2 3.91Å; V568-F570 HydrophobicContact CG1-CZ 3.94Å; V568-F570 WeakPolarHBondContact O-CE2 3.24Å; F570-R572 PolarHBondContact O-N 2.98Å; F570-L586 HydrophobicContact CE1-CD2 3.82Å; F570-L586 HydrophobicContact CE2-CD2 4.14Å; F570-L586 HydrophobicContact CZ-CD2 3.34Å; F570-Q599 HydrophobicContact CD1-CG 4.49Å; F570-Q599 HydrophobicContact CE1-CG 4.47Å; F570-M657 HydrophobicContact CB-CB 4.46Å; F570-M657 HydrophobicContact CB-CE 4.27Å; F570-M657 WeakPolarHBondContact CB-O 3.05Å; F570-M657 HydrophobicContact CD1-CE 4Å; F570-M657 HydrophobicContact CD2-CE 3.59Å; F570-M657 HydrophobicContact CD2-CG 4.33Å; F570-M657 WeakPolarHBondContact CD2-O 3.37Å; F570-M657 HydrophobicContact CE1-CE 4.26Å; F570-M657 HydrophobicContact CE2-CE 3.89Å; F570-M657 HydrophobicContact CG-CE 3.66Å; F570-M657 HydrophobicContact CZ-CE 4.23Å; F570-M657 PolarHBondContact N-O 2.86Å; F570-I659 HydrophobicContact CE2-CB 4.21Å; F570-I659 HydrophobicContact CE2-CD1 3.91Å; F570-I659 HydrophobicContact CE2-CG1 3.97Å; F570-I659 HydrophobicContact CZ-CD1 4.28Å | ||
| 571 | E | 93.6 | Very high | 89.1 | Confident | 129 Ų | 129 | 83.8 Ų | 83.8 | 60% | 0.603 | 40% | 0.395 | S | S | * | . | trans | -56.6 | 137.2 | 177.1 | -67 | 176.9 | 162.9 | 0 | 0 | 111.3 | R573 N602 | E571-R573 PolarHBondContact O-N 2.92Å; E571-R573 IonicContact OE2-CZ 2.82Å; E571-R573 VanDerWaalsContact OE2-CZ 3.26Å; E571-R573 IonicContact OE2-NH1 3.19Å; E571-R573 PolarHBondContact OE2-NH1 2.79Å; E571-R573 IonicContact OE2-NH2 3.83Å; E571-R573 PolarHBondContact OE2-NH2 3.39Å; E571-N602 PolarHBondContact O-ND2 2.72Å | ||
| 572 | R | 95.5 | Very high | 90.1 | Very high | 83 Ų | 83 | 83 Ų | 83 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | trans | -59 | 128.2 | 170.6 | -174.4 | -176.2 | -65 | -173.5 | 1.4 | 109.8 | F570 A654 E656 Y673 D678 | F570-R572 PolarHBondContact O-N 2.98Å; R572-A654 HydrophobicContact CG-CB 3.9Å; R572-E656 HydrophobicContact CB-CB 4.36Å; R572-E656 HydrophobicContact CG-CB 4.41Å; R572-E656 IonicContact NE-OE2 3.97Å; R572-E656 IonicContact NH2-OE2 2.68Å; R572-Y673 VanDerWaalsContact CZ-CZ 3.48Å; R572-Y673 PolarHBondContact NH2-OH 2.77Å; R572-D678 PolarHBondContact NH1-O 3.23Å | ||
| 573 | R | 95.8 | Very high | 90.8 | Very high | 56 Ų | 56 | 89.8 Ų | 89.8 | 21% | 0.211 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.4 | -180 | -64.7 | -64.4 | -179.6 | -140.8 | -10.9 | 110.3 | E571 Q599 A654 V655 | E571-R573 PolarHBondContact O-N 2.92Å; E571-R573 IonicContact OE2-CZ 2.82Å; E571-R573 VanDerWaalsContact OE2-CZ 3.26Å; E571-R573 IonicContact OE2-NH1 3.19Å; E571-R573 PolarHBondContact OE2-NH1 2.79Å; E571-R573 IonicContact OE2-NH2 3.83Å; E571-R573 PolarHBondContact OE2-NH2 3.39Å; R573-Q599 PolarHBondContact NE-O 3.07Å; R573-A654 CarbonylContact O-C 3.59Å; R573-A654 VanDerWaalsContact O-CA 3.23Å; R573-A654 WeakPolarHBondContact O-CA 3.33Å; R573-V655 PolarHBondContact N-O 3.12Å; R573-V655 PolarHBondContact O-N 2.83Å |
| 574 | R | 96.1 | Very high | 91.2 | Very high | 110 Ų | 110 | 91.6 Ų | 91.6 | 42% | 0.415 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.6 | 176.7 | -59.9 | 178.9 | -63.5 | -159.9 | -1.4 | 110 | K576 D577 W578 A654 | R574-K576 HydrophobicContact CB-CG 4.19Å; R574-K576 PolarHBondContact O-N 3.24Å; R574-D577 IonicContact CZ-OD2 2.85Å; R574-D577 IonicContact NE-OD2 2.7Å; R574-D577 PolarHBondContact NE-OD2 2.97Å; R574-D577 IonicContact NH2-OD1 2.73Å; R574-D577 IonicContact NH2-OD2 3.11Å; R574-D577 PolarHBondContact NH2-OD2 3.07Å; R574-D577 PolarHBondContact O-N 2.94Å; R574-W578 PolarHBondContact O-NE1 3.25Å; R574-A654 HydrophobicContact CG-CB 4.43Å |
| 575 | V | 95 | Very high | 91.6 | Very high | 37 Ų | 37 | 91.8 Ų | 91.8 | 22% | 0.224 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -57.1 | -38.3 | -178.9 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | D577 W578 Y652 K653 | V575-D577 PolarHBondContact O-N 2.89Å; V575-W578 HydrophobicContact CB-CD2 4.39Å; V575-W578 HydrophobicContact CB-CE3 4.4Å; V575-W578 HydrophobicContact CB-CZ2 4.49Å; V575-W578 HydrophobicContact CB-CZ3 4.48Å; V575-W578 HydrophobicContact CG1-CD2 4.4Å; V575-W578 HydrophobicContact CG1-CE3 4Å; V575-W578 HydrophobicContact CG1-CZ3 4.13Å; V575-W578 HydrophobicContact CG2-CD2 4.49Å; V575-W578 HydrophobicContact CG2-CE3 4.4Å; V575-W578 HydrophobicContact CG2-CH2 3.7Å; V575-W578 HydrophobicContact CG2-CZ2 3.76Å; V575-W578 HydrophobicContact CG2-CZ3 4.02Å; V575-W578 WeakPolarHBondContact O-CB 3.42Å; V575-W578 PolarHBondContact O-N 2.85Å; V575-Y652 HydrophobicContact CG2-CD2 3.99Å; V575-Y652 HydrophobicContact CG2-CE2 3.73Å; V575-K653 WeakPolarHBondContact CB-O 3.41Å; V575-K653 WeakPolarHBondContact CG2-O 3.23Å; V575-K653 PolarHBondContact N-O 3.28Å |
| 576 | K | 93.8 | Very high | 91.9 | Very high | 139 Ų | 139 | 93.5 Ų | 93.5 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -64.3 | -20.4 | 178.8 | 71.9 | -168.7 | -177.9 | -156.7 | 0 | 114.3 | R574 D676 | R574-K576 HydrophobicContact CB-CG 4.19Å; R574-K576 PolarHBondContact O-N 3.24Å; K576-D676 WeakPolarHBondContact CE-OD2 3.45Å; K576-D676 IonicContact NZ-OD2 2.76Å; K576-D676 PolarHBondContact NZ-OD2 3.24Å |
| 577 | D | 92.4 | Very high | 92.3 | Very high | 80 Ų | 80 | 88 Ų | 88 | 43% | 0.428 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -91.7 | -4.4 | -179.1 | -62.4 | -28.7 | 0 | 0 | 0 | 112.3 | R574 V575 R579 | R574-D577 IonicContact CZ-OD2 2.85Å; R574-D577 IonicContact NE-OD2 2.7Å; R574-D577 PolarHBondContact NE-OD2 2.97Å; R574-D577 IonicContact NH2-OD1 2.73Å; R574-D577 IonicContact NH2-OD2 3.11Å; R574-D577 PolarHBondContact NH2-OD2 3.07Å; R574-D577 PolarHBondContact O-N 2.94Å; V575-D577 PolarHBondContact O-N 2.89Å; D577-R579 PolarHBondContact O-N 3.46Å |
| 578 | W | 91.3 | Very high | 92.5 | Very high | 63 Ų | 63 | 85.9 Ų | 85.9 | 24% | 0.239 | 41% | 0.406 | C | S | . | . | trans | -70.5 | 94.9 | 179.9 | -62.5 | -7.6 | 0 | 0 | 0 | 110.8 | R574 V575 D600 T601 L603 Y652 V655 | R574-W578 PolarHBondContact O-NE1 3.25Å; V575-W578 HydrophobicContact CB-CD2 4.39Å; V575-W578 HydrophobicContact CB-CE3 4.4Å; V575-W578 HydrophobicContact CB-CZ2 4.49Å; V575-W578 HydrophobicContact CB-CZ3 4.48Å; V575-W578 HydrophobicContact CG1-CD2 4.4Å; V575-W578 HydrophobicContact CG1-CE3 4Å; V575-W578 HydrophobicContact CG1-CZ3 4.13Å; V575-W578 HydrophobicContact CG2-CD2 4.49Å; V575-W578 HydrophobicContact CG2-CE3 4.4Å; V575-W578 HydrophobicContact CG2-CH2 3.7Å; V575-W578 HydrophobicContact CG2-CZ2 3.76Å; V575-W578 HydrophobicContact CG2-CZ3 4.02Å; V575-W578 WeakPolarHBondContact O-CB 3.42Å; V575-W578 PolarHBondContact O-N 2.85Å; W578-D600 VanDerWaalsContact CD1-O 3.29Å; W578-D600 PolarHBondContact NE1-O 2.92Å; W578-T601 HydrophobicContact CD2-CG2 3.81Å; W578-T601 HydrophobicContact CE3-CG2 4.24Å; W578-T601 HydrophobicContact CG-CG2 4Å; W578-T601 HydrophobicContact CZ2-CG2 4.37Å; W578-T601 WeakPolarHBondContact CZ2-O 3.34Å; W578-L603 HydrophobicContact CH2-CD1 3.77Å; W578-L603 HydrophobicContact CH2-CG 4.45Å; W578-L603 HydrophobicContact CZ3-CD1 4.31Å; W578-Y652 AromaticContact CH2-CE2 3.86Å; W578-Y652 HydrophobicContact CH2-CE2 3.86Å; W578-Y652 HydrophobicContact CZ2-CE2 4.41Å; W578-V655 HydrophobicContact CZ2-CG2 4.31Å | ||
| 579 | R | 82.2 | Confident | 92.4 | Very high | 230 Ų | 230 | 86.4 Ų | 86.4 | 87% | 0.868 | 41% | 0.406 | S | S | * | . | trans | -87.9 | -44.9 | 179.9 | -64.1 | -171.2 | -177.7 | -152.1 | 1.6 | 113.7 | D577 | D577-R579 PolarHBondContact O-N 3.46Š| ||
| 580 | K | 81.8 | Confident | 92.3 | Very high | 132 Ų | 132 | 83.6 Ų | 83.6 | 57% | 0.574 | 38% | 0.38 | S | S | * | . | trans | -147 | 142.4 | 175.1 | -60.5 | -157.4 | -167.1 | -175.6 | 0 | 108.6 | R583 | K580-R583 VanDerWaalsContact CE-NH2 3.31Š| ||
| 581 | T | 86.1 | Confident | 92.1 | Very high | 93 Ų | 93 | 83.5 Ų | 83.5 | 57% | 0.571 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -95.6 | 160.8 | 175.6 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | R583 D598 T601 | T581-R583 PolarHBondContact O-N 2.84Å; T581-D598 VanDerWaalsContact CA-OD2 3.23Å; T581-D598 WeakPolarHBondContact CA-OD2 2.86Å; T581-D598 WeakPolarHBondContact CB-OD2 3.2Å; T581-T601 HydrophobicContact CG2-CG2 3.8Å |
| 582 | G | 85.9 | Confident | 92.1 | Very high | 26 Ų | 26 | 77.6 Ų | 77.6 | 27% | 0.268 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 80.3 | 10.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D598 H605 | G582-D598 PolarHBondContact N-OD2 3.45Å; G582-H605 WeakPolarHBondContact CA-NE2 3.39Å |
| 583 | R | 89.5 | Confident | 92 | Very high | 154 Ų | 154 | 73.7 Ų | 73.7 | 58% | 0.581 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -83.1 | -41.6 | -179.9 | -66.9 | 171.8 | 163 | 177.6 | -8 | 112.7 | K580 T581 | K580-R583 VanDerWaalsContact CE-NH2 3.31Å; T581-R583 PolarHBondContact O-N 2.84Å |
| 584 | R | 93.4 | Very high | 92.1 | Very high | 119 Ų | 119 | 74.9 Ų | 74.9 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -117 | 81.4 | -177.2 | -69.3 | -179.6 | 58.7 | 176 | -2.5 | 110.3 | Q599 | R584-Q599 HydrophobicContact CB-CB 3.91Å; R584-Q599 HydrophobicContact CB-CG 4.47Å; R584-Q599 WeakPolarHBondContact O-CB 3.26Å; R584-Q599 WeakPolarHBondContact O-CG 3Å; R584-Q599 PolarHBondContact O-N 3.13Å |
| 585 | L | 96.3 | Very high | 92.1 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.1 | -177.5 | -60.9 | -180 | 0 | 0 | 0 | 112.1 | M596 F597 D598 H605 | L585-M596 HydrophobicContact CB-CE 3.43Å; L585-M596 VanDerWaalsContact CB-CE 3.43Å; L585-M596 HydrophobicContact CD1-CB 4.49Å; L585-M596 HydrophobicContact CD1-CE 4.21Å; L585-M596 HydrophobicContact CG-CE 4.45Å; L585-F597 CarbonylContact C-O 3.41Å; L585-F597 WeakPolarHBondContact CA-O 3.12Å; L585-D598 HydrophobicContact CD2-CB 3.95Å; L585-H605 HydrophobicContact CD2-CB 3.96Å |
| 586 | L | 96.3 | Very high | 92.3 | Very high | 45 Ų | 45 | 69.1 Ų | 69.1 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.8 | 175 | -173.9 | 72.2 | 0 | 0 | 0 | 109.9 | F570 M596 F597 Q599 M657 I659 | F570-L586 HydrophobicContact CE1-CD2 3.82Å; F570-L586 HydrophobicContact CE2-CD2 4.14Å; F570-L586 HydrophobicContact CZ-CD2 3.34Å; L586-M596 WeakPolarHBondContact O-CA 3.21Å; L586-F597 PolarHBondContact N-O 2.96Å; L586-F597 PolarHBondContact O-N 2.89Å; L586-Q599 HydrophobicContact CB-CG 4.27Å; L586-M657 HydrophobicContact CD2-CE 4.43Å; L586-I659 HydrophobicContact CD2-CD1 3.36Å |
| 587 | P | 96.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 137.7 | 178.5 | 33 | -33.4 | 0 | 0 | 0 | 111.9 | L589 L595 M596 | P587-L589 HydrophobicContact CB-CD1 3.92Å; P587-L589 HydrophobicContact CG-CD1 4.45Å; P587-L595 CarbonylContact C-O 3.56Å; P587-L595 VanDerWaalsContact CA-O 3.31Å; P587-L595 WeakPolarHBondContact CA-O 3.37Å; P587-M596 HydrophobicContact CB-CE 4.09Å; P587-M596 HydrophobicContact CB-SD 3.73Å |
| 588 | V | 95.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.1 | 160.8 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | L595 F597 I659 T666 I668 V689 | V588-L595 HydrophobicContact CB-CB 4.45Å; V588-L595 PolarHBondContact N-O 3.48Å; V588-L595 PolarHBondContact O-N 3.37Å; V588-F597 HydrophobicContact CG2-CD2 4.2Å; V588-F597 HydrophobicContact CG2-CE2 4.29Å; V588-I659 HydrophobicContact CG2-CD1 4.21Å; V588-T666 HydrophobicContact CG1-CG2 3.74Å; V588-I668 HydrophobicContact CB-CD1 4.4Å; V588-I668 HydrophobicContact CG1-CD1 4.19Å; V588-I668 HydrophobicContact CG2-CD1 4.18Å; V588-I668 HydrophobicContact CG2-CG1 4.41Å; V588-V689 HydrophobicContact CG1-CB 4.43Å; V588-V689 HydrophobicContact CG1-CG1 4.45Å; V588-V689 HydrophobicContact CG1-CG2 4.17Å |
| 589 | L | 93.4 | Very high | 92.9 | Very high | 85 Ų | 85 | 57.4 Ų | 57.4 | 45% | 0.445 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.8 | -172.7 | -57.9 | 96.6 | 0 | 0 | 0 | 110.4 | P587 Y593 K594 E691 | P587-L589 HydrophobicContact CB-CD1 3.92Å; P587-L589 HydrophobicContact CG-CD1 4.45Å; L589-Y593 CarbonylContact C-O 3.56Å; L589-Y593 WeakPolarHBondContact CA-O 3.45Å; L589-K594 HydrophobicContact CD2-CB 4.22Å; L589-K594 HydrophobicContact CD2-CD 4.26Å; L589-K594 HydrophobicContact CD2-CG 4.18Å; L589-K594 HydrophobicContact CG-CB 4.34Å; L589-K594 HydrophobicContact CG-CG 4.23Å; L589-E691 VanDerWaalsContact O-OE1 3.13Å |
| 590 | N | 93 | Very high | 93.5 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | trans | -140.8 | -169.2 | 157.8 | 74.1 | -4.7 | 0 | 0 | 0 | 111.1 | C592 Y593 L610 V689 P690 C699 | N590-C592 PolarHBondContact O-N 3.03Å; N590-C592 VanDerWaalsContact O-N 3.07Å; N590-C592 PolarHBondContact OD1-N 3.38Å; N590-Y593 PolarHBondContact N-O 3.49Å; N590-Y593 PolarHBondContact OD1-N 3.2Å; N590-L610 VanDerWaalsContact O-CD1 3.3Å; N590-L610 WeakPolarHBondContact O-CD1 3.36Å; N590-V689 HydrophobicContact CB-CG1 3.86Å; N590-P690 WeakPolarHBondContact CB-O 3.45Å; N590-P690 PolarHBondContact ND2-O 3.11Å; N590-C699 PolarHBondContact ND2-O 3.39Å | ||
| 591 | G | 90.6 | Very high | 94.1 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -59.3 | -17.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 592 | C | 92.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -117.5 | -31.8 | -175.8 | -79.6 | 0 | 0 | 0 | 0 | 113.8 | N590 Y609 L610 C699 H700 | N590-C592 PolarHBondContact O-N 3.03Å; N590-C592 VanDerWaalsContact O-N 3.07Å; N590-C592 PolarHBondContact OD1-N 3.38Å; C592-Y609 WeakPolarHBondContact O-CD2 3.35Å; C592-L610 WeakPolarHBondContact O-CB 3.4Å; C592-L610 PolarHBondContact O-N 3.27Å; C592-C699 HydrophobicContact CB-CB 3.7Å; C592-C699 WeakPolarHBondContact CB-O 3.28Å; C592-C699 WeakPolarHBondContact CB-SG 3.49Å; C592-C699 PolarHBondContact N-SG 3.19Å; C592-C699 WeakPolarHBondContact SG-CB 3.48Å; C592-C699 CovalentContact SG-SG 2.03Å; C592-C699 PolarHBondContact SG-SG 3.34Å; C592-H700 PolarHBondContact SG-CD2 2.91Å; C592-H700 VanDerWaalsContact SG-CG 3.51Å; C592-H700 PolarHBondContact SG-N 3.3Å; C592-H700 PolarHBondContact SG-NE2 2.84Å |
| 593 | Y | 95 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 148.8 | -167.5 | -58 | -57.7 | 0 | 0 | 0 | 112.9 | L589 N590 T608 Y609 C699 H700 L702 L827 | L589-Y593 CarbonylContact C-O 3.56Å; L589-Y593 WeakPolarHBondContact CA-O 3.45Å; N590-Y593 PolarHBondContact N-O 3.49Å; N590-Y593 PolarHBondContact OD1-N 3.2Å; Y593-T608 CarbonylContact C-O 3.5Å; Y593-T608 VanDerWaalsContact CA-O 3.27Å; Y593-T608 WeakPolarHBondContact CA-O 3.33Å; Y593-Y609 HydrophobicContact CD1-CD2 4.4Å; Y593-Y609 HydrophobicContact CE1-CD2 4.1Å; Y593-C699 WeakPolarHBondContact CD2-O 3.38Å; Y593-C699 WeakPolarHBondContact CE2-O 3.21Å; Y593-H700 VanDerWaalsContact CE2-C 3.48Å; Y593-H700 VanDerWaalsContact CE2-O 3.27Å; Y593-H700 WeakPolarHBondContact CE2-O 3.3Å; Y593-H700 WeakPolarHBondContact OH-CA 3.43Å; Y593-H700 PolarHBondContact OH-O 2.96Å; Y593-L702 HydrophobicContact CD2-CD1 4.13Å; Y593-L702 HydrophobicContact CD2-CD2 3.91Å; Y593-L702 HydrophobicContact CD2-CG 4.05Å; Y593-L702 HydrophobicContact CE2-CD1 4.25Å; Y593-L702 HydrophobicContact CE2-CD2 4.24Å; Y593-L702 HydrophobicContact CE2-CG 3.98Å; Y593-L827 HydrophobicContact CE1-CB 4.04Å; Y593-L827 WeakPolarHBondContact CE1-O 3.47Å; Y593-L827 PolarHBondContact OH-N 2.96Å; Y593-L827 PolarHBondContact OH-O 3.33Å |
| 594 | K | 96.6 | Very high | 95.6 | Very high | 81 Ų | 81 | 30.3 Ų | 30.3 | 35% | 0.352 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 107.6 | 158.2 | 171.6 | 178.9 | 178.8 | 177.5 | 0 | 108.5 | L589 M596 T608 L610 | L589-K594 HydrophobicContact CD2-CB 4.22Å; L589-K594 HydrophobicContact CD2-CD 4.26Å; L589-K594 HydrophobicContact CD2-CG 4.18Å; L589-K594 HydrophobicContact CG-CB 4.34Å; L589-K594 HydrophobicContact CG-CG 4.23Å; K594-M596 HydrophobicContact CD-SD 4.21Å; K594-M596 WeakPolarHBondContact CE-SD 3.43Å; K594-M596 HydrophobicContact CG-SD 3.9Å; K594-T608 PolarHBondContact N-O 2.65Å; K594-T608 PolarHBondContact O-N 2.87Å; K594-L610 HydrophobicContact CB-CD2 3.89Å |
| 595 | L | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.3 | 175 | -52.7 | -179.1 | 0 | 0 | 0 | 108.9 | P587 V588 F597 L604 A607 V689 L702 | P587-L595 CarbonylContact C-O 3.56Å; P587-L595 VanDerWaalsContact CA-O 3.31Å; P587-L595 WeakPolarHBondContact CA-O 3.37Å; V588-L595 HydrophobicContact CB-CB 4.45Å; V588-L595 PolarHBondContact N-O 3.48Å; V588-L595 PolarHBondContact O-N 3.37Å; L595-F597 HydrophobicContact CB-CE2 3.92Å; L595-F597 HydrophobicContact CD1-CE2 4.42Å; L595-L604 HydrophobicContact CB-CD1 4.17Å; L595-A607 HydrophobicContact CD2-CB 3.61Å; L595-V689 HydrophobicContact CD1-CG2 3.79Å; L595-L702 HydrophobicContact CD1-CD1 4.01Å; L595-L702 HydrophobicContact CD1-CD2 4.28Å; L595-L702 HydrophobicContact CD2-CD1 3.95Å |
| 596 | M | 97.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 11% | 0.108 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.3 | 175.9 | -55.7 | -61.8 | -59.3 | 0 | 0 | 108.6 | L585 L586 P587 K594 H605 S606 | L585-M596 HydrophobicContact CB-CE 3.43Å; L585-M596 VanDerWaalsContact CB-CE 3.43Å; L585-M596 HydrophobicContact CD1-CB 4.49Å; L585-M596 HydrophobicContact CD1-CE 4.21Å; L585-M596 HydrophobicContact CG-CE 4.45Å; L586-M596 WeakPolarHBondContact O-CA 3.21Å; P587-M596 HydrophobicContact CB-CE 4.09Å; P587-M596 HydrophobicContact CB-SD 3.73Å; K594-M596 HydrophobicContact CD-SD 4.21Å; K594-M596 WeakPolarHBondContact CE-SD 3.43Å; K594-M596 HydrophobicContact CG-SD 3.9Å; M596-H605 WeakPolarHBondContact O-CB 3.33Å; M596-H605 PolarHBondContact O-N 3.22Å; M596-S606 WeakPolarHBondContact CB-OG 3.27Å; M596-S606 WeakPolarHBondContact CG-OG 3.45Å; M596-S606 PolarHBondContact N-O 2.78Å; M596-S606 PolarHBondContact O-N 2.92Å |
| 597 | F | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.8 | 172.9 | -71.5 | -94.1 | 0 | 0 | 0 | 109.9 | L585 L586 V588 L595 L603 L604 M657 I668 | L585-F597 CarbonylContact C-O 3.41Å; L585-F597 WeakPolarHBondContact CA-O 3.12Å; L586-F597 PolarHBondContact N-O 2.96Å; L586-F597 PolarHBondContact O-N 2.89Å; V588-F597 HydrophobicContact CG2-CD2 4.2Å; V588-F597 HydrophobicContact CG2-CE2 4.29Å; L595-F597 HydrophobicContact CB-CE2 3.92Å; L595-F597 HydrophobicContact CD1-CE2 4.42Å; F597-L603 WeakPolarHBondContact CA-O 3.47Å; F597-L604 HydrophobicContact CD1-CB 4.39Å; F597-L604 HydrophobicContact CE1-CB 3.99Å; F597-L604 HydrophobicContact CE1-CD1 4.31Å; F597-L604 HydrophobicContact CE2-CD1 4.16Å; F597-L604 HydrophobicContact CZ-CB 4.43Å; F597-L604 HydrophobicContact CZ-CD1 3.98Å; F597-M657 HydrophobicContact CB-CE 4.46Å; F597-M657 HydrophobicContact CB-SD 4.02Å; F597-M657 HydrophobicContact CD1-SD 3.92Å; F597-M657 HydrophobicContact CG-SD 4.11Å; F597-I668 HydrophobicContact CE1-CG2 3.93Å; F597-I668 HydrophobicContact CE2-CD1 3.56Å; F597-I668 HydrophobicContact CE2-CG1 4.36Å; F597-I668 HydrophobicContact CZ-CD1 3.64Å; F597-I668 HydrophobicContact CZ-CG1 4.37Å; F597-I668 HydrophobicContact CZ-CG2 3.97Å |
| 598 | D | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.2 | 178.4 | -178.2 | 1.8 | 0 | 0 | 0 | 110.3 | T581 G582 L585 D600 T601 N602 L603 H605 | T581-D598 VanDerWaalsContact CA-OD2 3.23Å; T581-D598 WeakPolarHBondContact CA-OD2 2.86Å; T581-D598 WeakPolarHBondContact CB-OD2 3.2Å; G582-D598 PolarHBondContact N-OD2 3.45Å; L585-D598 HydrophobicContact CD2-CB 3.95Å; D598-D600 PolarHBondContact O-N 3.33Å; D598-D600 WeakPolarHBondContact OD1-CB 3.42Å; D598-D600 PolarHBondContact OD1-N 2.99Å; D598-T601 WeakPolarHBondContact CB-OG1 3.26Å; D598-T601 PolarHBondContact O-N 2.88Å; D598-T601 PolarHBondContact O-OG1 2.89Å; D598-N602 VanDerWaalsContact O-CA 3.25Å; D598-N602 WeakPolarHBondContact O-CA 3.2Å; D598-N602 PolarHBondContact O-N 2.71Å; D598-L603 PolarHBondContact N-O 3.14Å; D598-H605 HydrophobicContact CB-CB 4.08Å |
| 599 | Q | 95.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 18.9 Ų | 18.9 | 15% | 0.154 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.1 | -179.5 | -63 | 175.5 | 44.2 | 0 | 0 | 113.4 | F570 R573 R584 L586 | F570-Q599 HydrophobicContact CD1-CG 4.49Å; F570-Q599 HydrophobicContact CE1-CG 4.47Å; R573-Q599 PolarHBondContact NE-O 3.07Å; R584-Q599 HydrophobicContact CB-CB 3.91Å; R584-Q599 HydrophobicContact CB-CG 4.47Å; R584-Q599 WeakPolarHBondContact O-CB 3.26Å; R584-Q599 WeakPolarHBondContact O-CG 3Å; R584-Q599 PolarHBondContact O-N 3.13Å; L586-Q599 HydrophobicContact CB-CG 4.27Å |
| 600 | D | 94.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 17.1 Ų | 17.1 | 21% | 0.209 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -22.9 | 175 | -64.8 | -37.1 | 0 | 0 | 0 | 111.5 | W578 D598 | W578-D600 VanDerWaalsContact CD1-O 3.29Å; W578-D600 PolarHBondContact NE1-O 2.92Å; D598-D600 PolarHBondContact O-N 3.33Å; D598-D600 WeakPolarHBondContact OD1-CB 3.42Å; D598-D600 PolarHBondContact OD1-N 2.99Å |
| 601 | T | 95.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -17.9 | -179.7 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | W578 T581 D598 L603 | W578-T601 HydrophobicContact CD2-CG2 3.81Å; W578-T601 HydrophobicContact CE3-CG2 4.24Å; W578-T601 HydrophobicContact CG-CG2 4Å; W578-T601 HydrophobicContact CZ2-CG2 4.37Å; W578-T601 WeakPolarHBondContact CZ2-O 3.34Å; T581-T601 HydrophobicContact CG2-CG2 3.8Å; D598-T601 WeakPolarHBondContact CB-OG1 3.26Å; D598-T601 PolarHBondContact O-N 2.88Å; D598-T601 PolarHBondContact O-OG1 2.89Å; T601-L603 PolarHBondContact O-N 3.14Å; T601-L603 PolarHBondContact OG1-N 3.28Å |
| 602 | N | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24.2 | -167.7 | -70.1 | -19.9 | 0 | 0 | 0 | 114.1 | E571 D598 V655 M657 Q670 | E571-N602 PolarHBondContact O-ND2 2.72Å; D598-N602 VanDerWaalsContact O-CA 3.25Å; D598-N602 WeakPolarHBondContact O-CA 3.2Å; D598-N602 PolarHBondContact O-N 2.71Å; N602-V655 HydrophobicContact CB-CB 4.2Å; N602-V655 HydrophobicContact CB-CG1 3.89Å; N602-V655 PolarHBondContact ND2-O 3.09Å; N602-M657 HydrophobicContact CB-CB 3.81Å; N602-Q670 PolarHBondContact O-NE2 3.09Å |
| 603 | L | 97.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 156.7 | 178.3 | -60.1 | -179.3 | 0 | 0 | 0 | 112.4 | W578 F597 D598 T601 H605 V655 F672 | W578-L603 HydrophobicContact CH2-CD1 3.77Å; W578-L603 HydrophobicContact CH2-CG 4.45Å; W578-L603 HydrophobicContact CZ3-CD1 4.31Å; F597-L603 WeakPolarHBondContact CA-O 3.47Å; D598-L603 PolarHBondContact N-O 3.14Å; T601-L603 PolarHBondContact O-N 3.14Å; T601-L603 PolarHBondContact OG1-N 3.28Å; L603-H605 PolarHBondContact O-N 2.79Å; L603-V655 HydrophobicContact CD2-CG1 4.26Å; L603-V655 HydrophobicContact CD2-CG2 4.33Å; L603-F672 HydrophobicContact CD2-CE1 3.68Å; L603-F672 HydrophobicContact CD2-CZ 3.92Å |
| 604 | L | 97.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 134.5 | 163.1 | -178.6 | 64.7 | 0 | 0 | 0 | 108.3 | L595 F597 M618 T619 M825 | L595-L604 HydrophobicContact CB-CD1 4.17Å; F597-L604 HydrophobicContact CD1-CB 4.39Å; F597-L604 HydrophobicContact CE1-CB 3.99Å; F597-L604 HydrophobicContact CE1-CD1 4.31Å; F597-L604 HydrophobicContact CE2-CD1 4.16Å; F597-L604 HydrophobicContact CZ-CB 4.43Å; F597-L604 HydrophobicContact CZ-CD1 3.98Å; L604-M618 CarbonylContact C-O 3.48Å; L604-M618 VanDerWaalsContact C-O 3.23Å; L604-M618 HydrophobicContact CD2-CG 3.74Å; L604-M618 HydrophobicContact CD2-SD 3.67Å; L604-M618 HydrophobicContact CG-CG 4.14Å; L604-T619 WeakPolarHBondContact O-CA 3.23Å; L604-T619 WeakPolarHBondContact O-CG2 3.23Å; L604-M825 HydrophobicContact CD2-CE 4.42Å |
| 605 | H | 97.3 | Very high | 95.3 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 11% | 0.106 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -38.7 | -177.6 | 168.1 | -84.1 | 0 | 0 | 0 | 112.3 | G582 L585 M596 D598 L603 R615 M617 M618 | G582-H605 WeakPolarHBondContact CA-NE2 3.39Å; L585-H605 HydrophobicContact CD2-CB 3.96Å; M596-H605 WeakPolarHBondContact O-CB 3.33Å; M596-H605 PolarHBondContact O-N 3.22Å; D598-H605 HydrophobicContact CB-CB 4.08Å; L603-H605 PolarHBondContact O-N 2.79Å; H605-R615 PolarHBondContact CE1-NH2 2.8Å; H605-M617 WeakPolarHBondContact CE1-CE 3.49Å; H605-M617 WeakPolarHBondContact NE2-CE 3.4Å; H605-M618 CarbonylContact C-O 3.57Å; H605-M618 VanDerWaalsContact CA-O 3.3Å; H605-M618 WeakPolarHBondContact CA-O 3.4Å; H605-M618 PolarHBondContact N-O 3.02Å; H605-M618 PolarHBondContact O-N 2.9Å; H605-M618 VanDerWaalsContact O-O 3.1Å |
| 606 | S | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 149.1 | 174.8 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | M596 R615 I616 | M596-S606 WeakPolarHBondContact CB-OG 3.27Å; M596-S606 WeakPolarHBondContact CG-OG 3.45Å; M596-S606 PolarHBondContact N-O 2.78Å; M596-S606 PolarHBondContact O-N 2.92Å; S606-R615 PolarHBondContact OG-NE 3.42Å; S606-R615 PolarHBondContact OG-NH2 2.96Å; S606-I616 CarbonylContact C-O 3.53Å; S606-I616 VanDerWaalsContact CA-O 3.26Å; S606-I616 WeakPolarHBondContact CA-O 3.48Å; S606-I616 WeakPolarHBondContact CB-O 3.49Å |
| 607 | A | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L595 I616 M618 L827 | L595-A607 HydrophobicContact CD2-CB 3.61Å; A607-I616 PolarHBondContact N-O 3.44Å; A607-I616 PolarHBondContact O-N 3.38Å; A607-M618 HydrophobicContact CB-CE 3.97Å; A607-M618 HydrophobicContact CB-CG 4.37Å; A607-M618 HydrophobicContact CB-SD 3.73Å; A607-L827 HydrophobicContact CB-CD2 3.62Å |
| 608 | T | 96.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.3 | 177.1 | -49.9 | 0 | 0 | 0 | 0 | 109.5 | Y593 K594 L610 R614 R615 | Y593-T608 CarbonylContact C-O 3.5Å; Y593-T608 VanDerWaalsContact CA-O 3.27Å; Y593-T608 WeakPolarHBondContact CA-O 3.33Å; K594-T608 PolarHBondContact N-O 2.65Å; K594-T608 PolarHBondContact O-N 2.87Å; T608-L610 PolarHBondContact O-N 2.8Å; T608-R614 CarbonylContact C-O 3.57Å; T608-R614 VanDerWaalsContact CA-O 3.28Å; T608-R614 WeakPolarHBondContact CA-O 3.16Å; T608-R615 HydrophobicContact CG2-CB 4.28Å |
| 609 | Y | 94.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 111.4 | 169.3 | 176.9 | -134.4 | 0 | 0 | 0 | 109.5 | C592 Y593 K611 E612 Q613 R614 H700 | C592-Y609 WeakPolarHBondContact O-CD2 3.35Å; Y593-Y609 HydrophobicContact CD1-CD2 4.4Å; Y593-Y609 HydrophobicContact CE1-CD2 4.1Å; Y609-K611 HydrophobicContact CE1-CB 3.87Å; Y609-K611 HydrophobicContact CE2-CB 3.85Å; Y609-K611 VanDerWaalsContact CZ-CB 3.45Å; Y609-K611 PolarHBondContact O-N 3.43Å; Y609-K611 WeakPolarHBondContact OH-CB 3.16Å; Y609-K611 VanDerWaalsContact OH-CD 3.23Å; Y609-K611 WeakPolarHBondContact OH-CD 3.41Å; Y609-E612 HydrophobicContact CD1-CB 3.98Å; Y609-E612 HydrophobicContact CD1-CG 4.12Å; Y609-E612 HydrophobicContact CE1-CB 4.16Å; Y609-E612 HydrophobicContact CE1-CG 3.79Å; Y609-Q613 WeakPolarHBondContact O-CA 3.46Å; Y609-Q613 PolarHBondContact O-N 3.45Å; Y609-R614 PolarHBondContact N-O 2.88Å; Y609-R614 PolarHBondContact O-N 3.08Å; Y609-H700 AromaticContact CE2-CE1 3.43Å; Y609-H700 VanDerWaalsContact CE2-CE1 3.43Å; Y609-H700 WeakPolarHBondContact CE2-CE1 3.43Å; Y609-H700 AromaticContact CZ-CE1 3.84Å |
| 610 | L | 92.8 | Very high | 95.3 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -33.9 | -166.1 | -67.6 | 176.3 | 0 | 0 | 0 | 113.6 | N590 C592 K594 T608 E612 Q613 | N590-L610 VanDerWaalsContact O-CD1 3.3Å; N590-L610 WeakPolarHBondContact O-CD1 3.36Å; C592-L610 WeakPolarHBondContact O-CB 3.4Å; C592-L610 PolarHBondContact O-N 3.27Å; K594-L610 HydrophobicContact CB-CD2 3.89Å; T608-L610 PolarHBondContact O-N 2.8Å; L610-E612 VanDerWaalsContact C-N 3.3Å; L610-E612 PolarHBondContact O-N 3.31Å; L610-Q613 PolarHBondContact O-N 2.96Å; L610-Q613 PolarHBondContact O-NE2 3.21Å |
| 611 | K | 88.3 | Confident | 95.4 | Very high | 174 Ų | 174 | 41.2 Ų | 41.2 | 76% | 0.757 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -39.6 | -177.2 | -169.8 | -178.2 | -178 | 176.6 | 0 | 112.5 | Y609 | Y609-K611 HydrophobicContact CE1-CB 3.87Å; Y609-K611 HydrophobicContact CE2-CB 3.85Å; Y609-K611 VanDerWaalsContact CZ-CB 3.45Å; Y609-K611 PolarHBondContact O-N 3.43Å; Y609-K611 WeakPolarHBondContact OH-CB 3.16Å; Y609-K611 VanDerWaalsContact OH-CD 3.23Å; Y609-K611 WeakPolarHBondContact OH-CD 3.41Å |
| 612 | E | 89.6 | Confident | 95.5 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 35% | 0.346 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 4.8 | -178.2 | -63.9 | 178.9 | -151.4 | 0 | 0 | 112.5 | Y609 L610 R614 S829 | Y609-E612 HydrophobicContact CD1-CB 3.98Å; Y609-E612 HydrophobicContact CD1-CG 4.12Å; Y609-E612 HydrophobicContact CE1-CB 4.16Å; Y609-E612 HydrophobicContact CE1-CG 3.79Å; L610-E612 VanDerWaalsContact C-N 3.3Å; L610-E612 PolarHBondContact O-N 3.31Å; E612-R614 HydrophobicContact CB-CG 3.9Å; E612-R614 PolarHBondContact O-N 2.86Å; E612-R614 VanDerWaalsContact O-N 3.08Å; E612-R614 WeakPolarHBondContact OE2-CD 3.39Å; E612-R614 IonicContact OE2-CZ 3.96Å; E612-R614 IonicContact OE2-NE 3.58Å; E612-R614 PolarHBondContact OE2-NE 2.99Å; E612-R614 IonicContact OE2-NH2 2.84Å; E612-S829 VanDerWaalsContact OE1-CB 3.23Å; E612-S829 WeakPolarHBondContact OE1-CB 3.42Å; E612-S829 PolarHBondContact OE1-OG 2.94Å; E612-S829 WeakPolarHBondContact OE2-CB 3.17Å |
| 613 | Q | 92.3 | Very high | 95.6 | Very high | 140 Ų | 140 | 42.6 Ų | 42.6 | 65% | 0.654 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 30.5 | -176.2 | -62.3 | -65.9 | -45.2 | 0 | 0 | 113.6 | Y609 L610 | Y609-Q613 WeakPolarHBondContact O-CA 3.46Å; Y609-Q613 PolarHBondContact O-N 3.45Å; L610-Q613 PolarHBondContact O-N 2.96Å; L610-Q613 PolarHBondContact O-NE2 3.21Å |
| 614 | R | 91.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 30% | 0.302 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118.4 | -178.8 | -70.3 | -179.1 | -177.2 | -84.9 | 0.6 | 110 | T608 Y609 E612 | T608-R614 CarbonylContact C-O 3.57Å; T608-R614 VanDerWaalsContact CA-O 3.28Å; T608-R614 WeakPolarHBondContact CA-O 3.16Å; Y609-R614 PolarHBondContact N-O 2.88Å; Y609-R614 PolarHBondContact O-N 3.08Å; E612-R614 HydrophobicContact CB-CG 3.9Å; E612-R614 PolarHBondContact O-N 2.86Å; E612-R614 VanDerWaalsContact O-N 3.08Å; E612-R614 WeakPolarHBondContact OE2-CD 3.39Å; E612-R614 IonicContact OE2-CZ 3.96Å; E612-R614 IonicContact OE2-NE 3.58Å; E612-R614 PolarHBondContact OE2-NE 2.99Å; E612-R614 IonicContact OE2-NH2 2.84Å |
| 615 | R | 95.8 | Very high | 95.5 | Very high | 127 Ų | 127 | 42.7 Ų | 42.7 | 48% | 0.479 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124 | 176.3 | -177.9 | -179.9 | -178.6 | -166.1 | 0.4 | 110.1 | H605 S606 T608 | H605-R615 PolarHBondContact CE1-NH2 2.8Å; S606-R615 PolarHBondContact OG-NE 3.42Å; S606-R615 PolarHBondContact OG-NH2 2.96Å; T608-R615 HydrophobicContact CG2-CB 4.28Å |
| 616 | I | 96.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.3 | 170.7 | -59.1 | -57.1 | 0 | 0 | 0 | 108.2 | S606 A607 M618 L725 L827 | S606-I616 CarbonylContact C-O 3.53Å; S606-I616 VanDerWaalsContact CA-O 3.26Å; S606-I616 WeakPolarHBondContact CA-O 3.48Å; S606-I616 WeakPolarHBondContact CB-O 3.49Å; A607-I616 PolarHBondContact N-O 3.44Å; A607-I616 PolarHBondContact O-N 3.38Å; I616-M618 HydrophobicContact CB-CE 4.05Å; I616-M618 HydrophobicContact CG2-CE 3.73Å; I616-L725 HydrophobicContact CD1-CD2 3.71Å; I616-L725 HydrophobicContact CG1-CD2 4.25Å; I616-L725 HydrophobicContact CG2-CD2 4.41Å; I616-L725 HydrophobicContact CG2-CG 4.22Å; I616-L827 HydrophobicContact CB-CD1 4.49Å; I616-L827 HydrophobicContact CB-CD2 4.2Å; I616-L827 HydrophobicContact CG1-CD1 4.13Å; I616-L827 HydrophobicContact CG1-CD2 4.24Å |
| 617 | M | 97.6 | Very high | 95.2 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.9 | 170.2 | -58.2 | -63.9 | -63.6 | 0 | 0 | 107.3 | H605 S723 S724 | H605-M617 WeakPolarHBondContact CE1-CE 3.49Å; H605-M617 WeakPolarHBondContact NE2-CE 3.4Å; M617-S723 CarbonylContact O-C 3.53Å; M617-S723 WeakPolarHBondContact O-CA 3.4Å; M617-S724 PolarHBondContact N-OG 3.34Å; M617-S724 VanDerWaalsContact N-OG 3.13Å; M617-S724 PolarHBondContact O-N 3.39Å |
| 618 | M | 96.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 145.7 | 179.6 | 61 | 175.4 | 62.1 | 0 | 0 | 112.9 | L604 H605 A607 I616 S722 L773 M825 L827 | L604-M618 CarbonylContact C-O 3.48Å; L604-M618 VanDerWaalsContact C-O 3.23Å; L604-M618 HydrophobicContact CD2-CG 3.74Å; L604-M618 HydrophobicContact CD2-SD 3.67Å; L604-M618 HydrophobicContact CG-CG 4.14Å; H605-M618 CarbonylContact C-O 3.57Å; H605-M618 VanDerWaalsContact CA-O 3.3Å; H605-M618 WeakPolarHBondContact CA-O 3.4Å; H605-M618 PolarHBondContact N-O 3.02Å; H605-M618 PolarHBondContact O-N 2.9Å; H605-M618 VanDerWaalsContact O-O 3.1Å; A607-M618 HydrophobicContact CB-CE 3.97Å; A607-M618 HydrophobicContact CB-CG 4.37Å; A607-M618 HydrophobicContact CB-SD 3.73Å; I616-M618 HydrophobicContact CB-CE 4.05Å; I616-M618 HydrophobicContact CG2-CE 3.73Å; M618-S722 CarbonylContact C-O 3.51Å; M618-S722 WeakPolarHBondContact CA-O 3.4Å; M618-L773 HydrophobicContact CE-CD1 4.42Å; M618-M825 HydrophobicContact SD-CE 4.22Å; M618-M825 HydrophobicContact SD-SD 4.42Å; M618-L827 HydrophobicContact CE-CD1 3.97Å; M618-L827 HydrophobicContact CE-CD2 3.69Å; M618-L827 HydrophobicContact CE-CG 4.4Å |
| 619 | T | 97 | Very high | 94.6 | Very high | 53 Ų | 53 | 46.6 Ų | 46.6 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.7 | 170.6 | 64.5 | 0 | 0 | 0 | 0 | 109.3 | L604 T721 S722 | L604-T619 WeakPolarHBondContact O-CA 3.23Å; L604-T619 WeakPolarHBondContact O-CG2 3.23Å; T619-T721 CarbonylContact O-C 3.55Å; T619-T721 WeakPolarHBondContact O-CA 3.42Å; T619-S722 PolarHBondContact N-O 3.3Å; T619-S722 PolarHBondContact O-N 2.91Å |
| 620 | Q | 97.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.8 | 175.8 | -172.2 | -179.3 | 42.5 | 0 | 0 | 109.4 | I685 Y706 L719 R720 T721 | Q620-I685 HydrophobicContact CG-CD1 4.43Å; Q620-Y706 PolarHBondContact NE2-OH 3.24Å; Q620-L719 HydrophobicContact CG-CD1 3.55Å; Q620-L719 HydrophobicContact CG-CG 4.09Å; Q620-R720 WeakPolarHBondContact CA-O 3.36Å; Q620-T721 PolarHBondContact NE2-OG1 2.82Å |
| 621 | D | 97.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 172.6 | -177.2 | 71.4 | -26.8 | 0 | 0 | 0 | 113.1 | W623 R650 Y652 F672 R720 | D621-W623 PolarHBondContact OD1-NE1 3Å; D621-R650 IonicContact OD2-CZ 3.06Å; D621-R650 IonicContact OD2-NE 2.76Å; D621-R650 IonicContact OD2-NH2 2.66Å; D621-Y652 HydrophobicContact CB-CE1 3.75Å; D621-Y652 WeakPolarHBondContact CB-OH 3.47Å; D621-Y652 PolarHBondContact OD2-OH 2.6Å; D621-F672 HydrophobicContact CB-CE1 4.16Å; D621-R720 PolarHBondContact N-O 2.73Å; D621-R720 PolarHBondContact O-N 2.93Å |
| 622 | F | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136.9 | -176.5 | -65 | -83.1 | 0 | 0 | 0 | 112.7 | A651 F672 Y683 I685 Y706 V717 L719 L795 | F622-A651 HydrophobicContact CB-CB 3.83Å; F622-A651 WeakPolarHBondContact O-CB 3.45Å; F622-A651 PolarHBondContact O-N 3.28Å; F622-A651 VanDerWaalsContact O-N 3.08Å; F622-F672 HydrophobicContact CD2-CB 4.42Å; F622-F672 HydrophobicContact CD2-CD1 4.17Å; F622-F672 AromaticContact CD2-CD2 3.84Å; F622-F672 HydrophobicContact CD2-CD2 3.84Å; F622-F672 HydrophobicContact CD2-CE1 4.39Å; F622-F672 HydrophobicContact CD2-CE2 4.1Å; F622-F672 AromaticContact CD2-CG 3.89Å; F622-F672 HydrophobicContact CD2-CG 3.89Å; F622-F672 HydrophobicContact CD2-CZ 4.37Å; F622-F672 AromaticContact CE2-CD2 3.67Å; F622-F672 HydrophobicContact CE2-CD2 3.67Å; F622-F672 AromaticContact CE2-CE2 3.83Å; F622-F672 HydrophobicContact CE2-CE2 3.83Å; F622-F672 HydrophobicContact CE2-CG 4.2Å; F622-F672 HydrophobicContact CE2-CZ 4.44Å; F622-Y683 HydrophobicContact CB-CD2 4.41Å; F622-Y683 HydrophobicContact CB-CG 4.34Å; F622-Y683 HydrophobicContact CD1-CD1 4.41Å; F622-Y683 HydrophobicContact CD1-CG 4.35Å; F622-Y683 VanDerWaalsContact CD2-CB 3.44Å; F622-Y683 HydrophobicContact CD2-CD2 4.49Å; F622-Y683 HydrophobicContact CD2-CG 4.02Å; F622-Y683 HydrophobicContact CE2-CG 4.36Å; F622-Y683 HydrophobicContact CG-CD1 4.46Å; F622-Y683 HydrophobicContact CG-CD2 4.48Å; F622-Y683 AromaticContact CG-CG 4Å; F622-Y683 HydrophobicContact CG-CG 4Å; F622-I685 HydrophobicContact CE2-CD1 4.04Å; F622-I685 HydrophobicContact CE2-CG1 3.63Å; F622-I685 HydrophobicContact CZ-CD1 4.46Å; F622-I685 HydrophobicContact CZ-CG1 3.85Å; F622-Y706 HydrophobicContact CE1-CD1 4.25Å; F622-Y706 AromaticContact CZ-CD1 3.91Å; F622-Y706 HydrophobicContact CZ-CD1 3.91Å; F622-V717 HydrophobicContact CD1-CG1 3.91Å; F622-L719 HydrophobicContact CE1-CD1 4.48Å; F622-L795 HydrophobicContact CE1-CD1 3.91Å |
| 623 | W | 98.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 159.1 | 176.5 | -63.8 | 72.1 | 0 | 0 | 0 | 110.6 | D621 A648 V649 R650 V717 V718 R720 | D621-W623 PolarHBondContact OD1-NE1 3Å; W623-A648 HydrophobicContact CB-CB 4.05Å; W623-A648 HydrophobicContact CE3-CB 4.29Å; W623-A648 WeakPolarHBondContact CZ3-O 3.28Å; W623-V649 CarbonylContact C-O 3.23Å; W623-V649 WeakPolarHBondContact CA-O 3.44Å; W623-V649 WeakPolarHBondContact CB-O 3.42Å; W623-R650 VanDerWaalsContact CZ2-NH2 3.29Å; W623-V717 WeakPolarHBondContact O-CA 3.31Å; W623-V718 HydrophobicContact CB-CG2 3.67Å; W623-V718 PolarHBondContact N-O 2.63Å; W623-V718 PolarHBondContact O-N 2.87Å; W623-R720 VanDerWaalsContact CD1-CB 3.5Å; W623-R720 HydrophobicContact CG-CB 4.36Å |
| 624 | E | 96.9 | Very high | 94.3 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.8 | -177 | -79.5 | 174.3 | 176.5 | 0 | 0 | 111 | A648 V649 A651 Y683 T715 E716 V717 | E624-A648 CarbonylContact O-C 3.53Å; E624-A648 WeakPolarHBondContact O-CA 3.32Å; E624-A648 WeakPolarHBondContact O-CB 3.35Å; E624-V649 PolarHBondContact N-O 3.38Å; E624-V649 PolarHBondContact O-N 3.37Å; E624-A651 HydrophobicContact CG-CB 3.71Å; E624-Y683 VanDerWaalsContact OE1-CZ 3.25Å; E624-Y683 PolarHBondContact OE1-OH 3.02Å; E624-T715 HydrophobicContact CB-CG2 4.02Å; E624-T715 VanDerWaalsContact CD-CG2 3.45Å; E624-T715 HydrophobicContact CG-CG2 3.53Å; E624-E716 WeakPolarHBondContact CA-O 3.42Å; E624-V717 HydrophobicContact CG-CG2 3.81Å |
| 625 | Y | 97.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.9 | 161.2 | -65.5 | -83.3 | 0 | 0 | 0 | 109.5 | A627 F642 A644 A648 E716 V718 L753 E792 | Y625-A627 PolarHBondContact O-N 2.84Å; Y625-F642 HydrophobicContact CD1-CZ 4.27Å; Y625-F642 HydrophobicContact CD2-CE2 4.31Å; Y625-F642 AromaticContact CD2-CZ 3.88Å; Y625-F642 HydrophobicContact CD2-CZ 3.88Å; Y625-F642 HydrophobicContact CE1-CZ 4.48Å; Y625-F642 HydrophobicContact CE2-CZ 4.1Å; Y625-F642 HydrophobicContact CG-CE2 4.23Å; Y625-F642 AromaticContact CG-CZ 3.98Å; Y625-F642 HydrophobicContact CG-CZ 3.98Å; Y625-A644 HydrophobicContact CD1-CB 3.76Å; Y625-A644 HydrophobicContact CG-CB 4.18Å; Y625-A648 HydrophobicContact CD1-CB 3.82Å; Y625-A648 HydrophobicContact CD2-CB 4.11Å; Y625-A648 HydrophobicContact CE1-CB 3.57Å; Y625-A648 VanDerWaalsContact CE1-N 3.34Å; Y625-A648 HydrophobicContact CE2-CB 3.88Å; Y625-A648 HydrophobicContact CG-CB 4.08Å; Y625-E716 PolarHBondContact N-O 3.46Å; Y625-E716 PolarHBondContact O-N 2.8Å; Y625-V718 HydrophobicContact CD2-CG1 3.91Å; Y625-V718 HydrophobicContact CE2-CG1 3.74Å; Y625-V718 HydrophobicContact CE2-CG2 4.11Å; Y625-L753 HydrophobicContact CD1-CD2 4Å; Y625-L753 HydrophobicContact CE1-CD1 4.33Å; Y625-L753 HydrophobicContact CE1-CD2 3.46Å; Y625-L753 VanDerWaalsContact CE1-CD2 3.46Å; Y625-L753 HydrophobicContact CE1-CG 4.49Å; Y625-E792 WeakPolarHBondContact CE2-OE1 3.5Å; Y625-E792 PolarHBondContact OH-OE1 3.03Å |
| 626 | D | 95.4 | Very high | 94.1 | Very high | 93 Ų | 93 | 38.8 Ų | 38.8 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 113.1 | 168.7 | -67.8 | -38.8 | 0 | 0 | 0 | 108.9 | N645 | D626-N645 PolarHBondContact O-N 3.27Å |
| 627 | A | 93.1 | Very high | 94 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 140.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y625 N714 E716 L799 | Y625-A627 PolarHBondContact O-N 2.84Å; A627-N714 HydrophobicContact CB-CB 4.21Å; A627-N714 PolarHBondContact N-O 2.94Å; A627-E716 HydrophobicContact CB-CG 4.34Å; A627-L799 HydrophobicContact CB-CD2 3.31Å |
| 628 | N | 89.6 | Confident | 93.8 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | trans | -82.5 | 118.8 | 171.3 | -175 | 26.8 | 0 | 0 | 0 | 110.9 | D630 G634 P635 I636 S637 N645 | N628-D630 PolarHBondContact ND2-O 2.97Å; N628-D630 VanDerWaalsContact ND2-O 3.11Å; N628-D630 PolarHBondContact OD1-N 3.28Å; N628-D630 VanDerWaalsContact OD1-N 3.11Å; N628-D630 PolarHBondContact OD1-O 2.96Å; N628-G634 VanDerWaalsContact ND2-C 3.31Å; N628-G634 PolarHBondContact ND2-O 3.48Å; N628-G634 VanDerWaalsContact ND2-O 3.08Å; N628-P635 WeakPolarHBondContact CB-O 3.38Å; N628-P635 PolarHBondContact ND2-O 3.03Å; N628-I636 CarbonylContact O-C 3.54Å; N628-I636 VanDerWaalsContact O-CA 3.25Å; N628-I636 WeakPolarHBondContact O-CA 3.33Å; N628-I636 WeakPolarHBondContact O-CB 3.28Å; N628-S637 PolarHBondContact O-N 3.44Å; N628-N645 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 629 | G | 90.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | trans | -102.4 | -2.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W800 N801 N802 | G629-W800 WeakPolarHBondContact CA-O 3.37Å; G629-N801 CarbonylContact O-C 3.59Å; G629-N801 WeakPolarHBondContact O-CA 3.43Å; G629-N801 WeakPolarHBondContact O-CB 3.48Å; G629-N802 PolarHBondContact O-N 3.49Å; G629-N802 PolarHBondContact O-OD1 2.76Å | ||
| 630 | D | 91.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 33.2 Ų | 33.2 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | trans | -111.6 | 114.4 | -176.2 | -173 | 0.4 | 0 | 0 | 0 | 111.5 | N628 K632 A633 G634 N802 | N628-D630 PolarHBondContact ND2-O 2.97Å; N628-D630 VanDerWaalsContact ND2-O 3.11Å; N628-D630 PolarHBondContact OD1-N 3.28Å; N628-D630 VanDerWaalsContact OD1-N 3.11Å; N628-D630 PolarHBondContact OD1-O 2.96Å; D630-K632 PolarHBondContact O-N 3.03Å; D630-K632 VanDerWaalsContact O-N 3.12Å; D630-K632 WeakPolarHBondContact OD1-CB 3.4Å; D630-K632 PolarHBondContact OD1-N 2.89Å; D630-A633 HydrophobicContact CB-CB 3.99Å; D630-A633 PolarHBondContact O-N 2.94Å; D630-G634 PolarHBondContact O-N 3.25Å; D630-N802 WeakPolarHBondContact CA-OD1 3.48Å; D630-N802 PolarHBondContact OD1-ND2 2.92Å | ||
| 631 | V | 91.6 | Very high | 93.5 | Very high | 68 Ų | 68 | 33.6 Ų | 33.6 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.9 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | I636 N802 L803 | V631-I636 HydrophobicContact CB-CG2 4.39Å; V631-I636 HydrophobicContact CG1-CD1 4.08Å; V631-I636 HydrophobicContact CG1-CG2 3.82Å; V631-N802 WeakPolarHBondContact CG1-OD1 3.38Å; V631-N802 WeakPolarHBondContact CG2-OD1 3.3Å; V631-N802 PolarHBondContact N-OD1 2.85Å; V631-L803 HydrophobicContact CG1-CB 4.04Å; V631-L803 HydrophobicContact CG1-CD1 4.12Å |
| 632 | K | 92.2 | Very high | 93.4 | Very high | 186 Ų | 186 | 33.4 Ų | 33.4 | 81% | 0.809 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -22.8 | 176 | -62.6 | -177.9 | 179.6 | 178.6 | 0 | 113 | D630 | D630-K632 PolarHBondContact O-N 3.03Å; D630-K632 VanDerWaalsContact O-N 3.12Å; D630-K632 WeakPolarHBondContact OD1-CB 3.4Å; D630-K632 PolarHBondContact OD1-N 2.89Å |
| 633 | A | 88.1 | Confident | 93.1 | Very high | 71 Ų | 71 | 34 Ų | 34 | 59% | 0.587 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -17.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | D630 | D630-A633 HydrophobicContact CB-CB 3.99Å; D630-A633 PolarHBondContact O-N 2.94Å |
| 634 | G | 89.1 | Confident | 92.6 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 145.2 | -161.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N628 D630 I636 | N628-G634 VanDerWaalsContact ND2-C 3.31Å; N628-G634 PolarHBondContact ND2-O 3.48Å; N628-G634 VanDerWaalsContact ND2-O 3.08Å; D630-G634 PolarHBondContact O-N 3.25Å; G634-I636 PolarHBondContact O-N 3.34Å |
| 635 | P | 90.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 34% | 0.344 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -59.1 | 129.4 | 176 | -20.7 | 32.4 | 0 | 0 | 0 | 111.1 | Y353 N628 S643 | Y353-P635 VanDerWaalsContact CB-CG 3.43Å; Y353-P635 HydrophobicContact CD1-CG 3.91Å; Y353-P635 HydrophobicContact CD2-CG 4.38Å; Y353-P635 HydrophobicContact CG-CG 3.67Å; N628-P635 WeakPolarHBondContact CB-O 3.38Å; N628-P635 PolarHBondContact ND2-O 3.03Å; P635-S643 PolarHBondContact O-OG 3.49Å |
| 636 | I | 92.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -92.1 | 157.4 | -177.6 | 60.6 | 162.5 | 0 | 0 | 0 | 112.1 | N628 V631 G634 S643 N801 L803 | N628-I636 CarbonylContact O-C 3.54Å; N628-I636 VanDerWaalsContact O-CA 3.25Å; N628-I636 WeakPolarHBondContact O-CA 3.33Å; N628-I636 WeakPolarHBondContact O-CB 3.28Å; V631-I636 HydrophobicContact CB-CG2 4.39Å; V631-I636 HydrophobicContact CG1-CD1 4.08Å; V631-I636 HydrophobicContact CG1-CG2 3.82Å; G634-I636 PolarHBondContact O-N 3.34Å; I636-S643 WeakPolarHBondContact O-CB 3.29Å; I636-N801 HydrophobicContact CD1-CB 3.98Å; I636-L803 HydrophobicContact CD1-CB 3.67Å; I636-L803 HydrophobicContact CD1-CD2 4.07Å; I636-L803 HydrophobicContact CD1-CG 4.4Å |
| 637 | S | 93.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 141 | 167.2 | -147.4 | 0 | 0 | 0 | 0 | 109.7 | N628 I641 S643 E716 R797 N801 | N628-S637 PolarHBondContact O-N 3.44Å; S637-I641 PolarHBondContact OG-O 3.4Å; S637-I641 VanDerWaalsContact OG-O 3.06Å; S637-S643 WeakPolarHBondContact CB-O 3.48Å; S637-S643 PolarHBondContact OG-N 3.04Å; S637-E716 PolarHBondContact OG-OE1 2.83Å; S637-R797 PolarHBondContact OG-NH2 2.89Å; S637-N801 PolarHBondContact O-ND2 2.83Å |
| 638 | D | 93.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | trans | -148.9 | -163.8 | 177.2 | 65.9 | 24.9 | 0 | 0 | 0 | 111.9 | Y640 I641 R797 L799 | D638-Y640 PolarHBondContact O-N 3.48Å; D638-Y640 WeakPolarHBondContact OD1-CA 3.45Å; D638-Y640 WeakPolarHBondContact OD1-CB 3.42Å; D638-Y640 PolarHBondContact OD1-N 3.47Å; D638-I641 PolarHBondContact N-O 2.73Å; D638-I641 VanDerWaalsContact N-O 3.12Å; D638-I641 PolarHBondContact OD1-N 3.19Å; D638-R797 PolarHBondContact O-NH1 3.37Å; D638-R797 PolarHBondContact O-NH2 3.42Å; D638-L799 WeakPolarHBondContact O-CD1 3.11Å | ||
| 639 | N | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -59.3 | -29.2 | -178.5 | -62.3 | 13.3 | 0 | 0 | 0 | 112.2 | F359 S362 T424 L811 L813 | F359-N639 WeakPolarHBondContact CA-O 3.5Å; F359-N639 WeakPolarHBondContact CB-O 3.08Å; F359-N639 PolarHBondContact N-O 2.93Å; S362-N639 PolarHBondContact OG-O 2.97Å; T424-N639 HydrophobicContact CG2-CB 4.3Å; N639-L811 VanDerWaalsContact CG-O 3.26Å; N639-L811 PolarHBondContact ND2-O 3.34Å; N639-L811 PolarHBondContact OD1-O 2.93Å; N639-L813 WeakPolarHBondContact OD1-CA 3.37Å; N639-L813 VanDerWaalsContact OD1-CB 3.24Å; N639-L813 WeakPolarHBondContact OD1-CB 3.48Å; N639-L813 PolarHBondContact OD1-N 3.37Å |
| 640 | Y | 95.6 | Very high | 92 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -97.6 | -53.6 | -177.1 | -55.3 | -92.7 | 0 | 0 | 0 | 111.5 | W39 F151 W356 T357 G358 F359 D419 T424 D638 W805 | W39-Y640 PolarHBondContact NE1-OH 3.4Å; F151-Y640 HydrophobicContact CD2-CD1 4.28Å; F151-Y640 HydrophobicContact CE1-CE1 4.41Å; F151-Y640 AromaticContact CE2-CD1 3.82Å; F151-Y640 HydrophobicContact CE2-CD1 3.82Å; F151-Y640 AromaticContact CE2-CE1 3.74Å; F151-Y640 HydrophobicContact CE2-CE1 3.74Å; F151-Y640 HydrophobicContact CZ-CD1 4.09Å; F151-Y640 AromaticContact CZ-CE1 3.64Å; F151-Y640 HydrophobicContact CZ-CE1 3.64Å; W356-Y640 CarbonylContact C-O 3.57Å; W356-Y640 AromaticContact CE3-CD1 3.53Å; W356-Y640 HydrophobicContact CE3-CD1 3.53Å; W356-Y640 HydrophobicContact CE3-CE1 4.44Å; W356-Y640 HydrophobicContact CE3-CG 4.02Å; W356-Y640 AromaticContact CH2-CD1 3.97Å; W356-Y640 HydrophobicContact CH2-CD1 3.97Å; W356-Y640 HydrophobicContact CH2-CE1 4.33Å; W356-Y640 HydrophobicContact CH2-CG 4.34Å; W356-Y640 AromaticContact CZ3-CD1 3.2Å; W356-Y640 HydrophobicContact CZ3-CD1 3.2Å; W356-Y640 AromaticContact CZ3-CE1 3.72Å; W356-Y640 HydrophobicContact CZ3-CE1 3.72Å; W356-Y640 AromaticContact CZ3-CG 3.87Å; W356-Y640 HydrophobicContact CZ3-CG 3.87Å; T357-Y640 PolarHBondContact N-O 2.85Å; G358-Y640 WeakPolarHBondContact CA-O 3.29Å; G358-Y640 PolarHBondContact N-O 3.49Å; F359-Y640 PolarHBondContact N-O 3.45Å; F359-Y640 VanDerWaalsContact N-O 3.15Å; D419-Y640 PolarHBondContact OD1-OH 2.91Å; T424-Y640 VanDerWaalsContact CB-CZ 3.43Å; T424-Y640 HydrophobicContact CG2-CD1 3.28Å; T424-Y640 HydrophobicContact CG2-CD2 4.36Å; T424-Y640 HydrophobicContact CG2-CE1 3.37Å; T424-Y640 HydrophobicContact CG2-CE2 4.4Å; T424-Y640 HydrophobicContact CG2-CG 3.83Å; T424-Y640 PolarHBondContact O-OH 3.28Å; D638-Y640 PolarHBondContact O-N 3.48Å; D638-Y640 WeakPolarHBondContact OD1-CA 3.45Å; D638-Y640 WeakPolarHBondContact OD1-CB 3.42Å; D638-Y640 PolarHBondContact OD1-N 3.47Å; Y640-W805 HydrophobicContact CE2-CH2 4.49Å; Y640-W805 HydrophobicContact CE2-CZ3 4.48Å |
| 641 | I | 95.8 | Very high | 92.3 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | trans | -92.3 | 138.9 | -165.9 | -65.6 | 166.8 | 0 | 0 | 0 | 110.3 | Q354 A355 W356 S637 D638 R797 | Q354-I641 HydrophobicContact CB-CD1 3.8Å; Q354-I641 HydrophobicContact CB-CG1 4.5Å; Q354-I641 HydrophobicContact CG-CD1 3.92Å; A355-I641 WeakPolarHBondContact O-CA 3.37Å; W356-I641 HydrophobicContact CG-CG1 4.4Å; S637-I641 PolarHBondContact OG-O 3.4Å; S637-I641 VanDerWaalsContact OG-O 3.06Å; D638-I641 PolarHBondContact N-O 2.73Å; D638-I641 VanDerWaalsContact N-O 3.12Å; D638-I641 PolarHBondContact OD1-N 3.19Å; I641-R797 PolarHBondContact O-NH2 3.35Å | ||
| 642 | F | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -102.2 | 119.3 | 165.2 | 171.4 | -138.4 | 0 | 0 | 0 | 109.6 | A355 Y625 A644 E716 L753 A754 Y757 M794 | A355-F642 PolarHBondContact O-N 3.24Å; Y625-F642 HydrophobicContact CD1-CZ 4.27Å; Y625-F642 HydrophobicContact CD2-CE2 4.31Å; Y625-F642 AromaticContact CD2-CZ 3.88Å; Y625-F642 HydrophobicContact CD2-CZ 3.88Å; Y625-F642 HydrophobicContact CE1-CZ 4.48Å; Y625-F642 HydrophobicContact CE2-CZ 4.1Å; Y625-F642 HydrophobicContact CG-CE2 4.23Å; Y625-F642 AromaticContact CG-CZ 3.98Å; Y625-F642 HydrophobicContact CG-CZ 3.98Å; F642-A644 HydrophobicContact CE2-CB 4.02Å; F642-A644 HydrophobicContact CZ-CB 4.23Å; F642-E716 WeakPolarHBondContact CD2-OE2 3.4Å; F642-E716 VanDerWaalsContact CE2-OE2 3.32Å; F642-E716 WeakPolarHBondContact CE2-OE2 3.21Å; F642-L753 HydrophobicContact CE1-CD2 4.03Å; F642-L753 HydrophobicContact CE1-CG 3.96Å; F642-L753 HydrophobicContact CZ-CD2 3.88Å; F642-L753 HydrophobicContact CZ-CG 4.32Å; F642-A754 HydrophobicContact CB-CB 4.29Å; F642-A754 HydrophobicContact CD1-CB 3.7Å; F642-A754 HydrophobicContact CE1-CB 4.42Å; F642-A754 HydrophobicContact CG-CB 4.25Å; F642-A754 WeakPolarHBondContact O-CB 3.47Å; F642-Y757 HydrophobicContact CD1-CD2 4.05Å; F642-Y757 HydrophobicContact CD1-CE2 4.18Å; F642-Y757 HydrophobicContact CD1-CG 4.46Å; F642-Y757 AromaticContact CE1-CD2 3.81Å; F642-Y757 HydrophobicContact CE1-CD2 3.81Å; F642-Y757 AromaticContact CE1-CE2 3.5Å; F642-Y757 HydrophobicContact CE1-CE2 3.5Å; F642-Y757 HydrophobicContact CZ-CE2 4.39Å; F642-M794 HydrophobicContact CD1-CE 4.02Å; F642-M794 HydrophobicContact CD2-CE 3.92Å; F642-M794 HydrophobicContact CE1-CE 3.96Å; F642-M794 HydrophobicContact CE2-CE 3.85Å; F642-M794 HydrophobicContact CG-CE 4.01Å; F642-M794 HydrophobicContact CZ-CE 3.87Å | ||
| 643 | S | 92.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | trans | -139.3 | 129.9 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | P635 I636 S637 | P635-S643 PolarHBondContact O-OG 3.49Å; I636-S643 WeakPolarHBondContact O-CB 3.29Å; S637-S643 WeakPolarHBondContact CB-O 3.48Å; S637-S643 PolarHBondContact OG-N 3.04Å | ||
| 644 | A | 87.9 | Confident | 93.3 | Very high | 28 Ų | 28 | 34.3 Ų | 34.3 | 23% | 0.231 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -120.6 | 143 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y625 F642 G646 L753 | Y625-A644 HydrophobicContact CD1-CB 3.76Å; Y625-A644 HydrophobicContact CG-CB 4.18Å; F642-A644 HydrophobicContact CE2-CB 4.02Å; F642-A644 HydrophobicContact CZ-CB 4.23Å; A644-G646 PolarHBondContact O-N 3.2Å; A644-L753 HydrophobicContact CB-CD2 4.11Å |
| 645 | N | 82.4 | Confident | 93.7 | Very high | 107 Ų | 107 | 32.9 Ų | 32.9 | 57% | 0.572 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -73.8 | -4.5 | 177.3 | -80.8 | -24.4 | 0 | 0 | 0 | 114.1 | D626 N628 | D626-N645 PolarHBondContact O-N 3.27Å; N628-N645 WeakPolarHBondContact CB-OD1 3.35Å |
| 646 | G | 86.9 | Confident | 94 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 43% | 0.433 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 177.1 | -164.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A644 | A644-G646 PolarHBondContact O-N 3.2Š|
| 647 | S | 92.7 | Very high | 94.2 | Very high | 111 Ų | 111 | 31.9 Ų | 31.9 | 78% | 0.776 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -74.5 | 149.6 | 172.9 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 648 | A | 96.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | trans | -61 | 144.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W623 E624 Y625 | W623-A648 HydrophobicContact CB-CB 4.05Å; W623-A648 HydrophobicContact CE3-CB 4.29Å; W623-A648 WeakPolarHBondContact CZ3-O 3.28Å; E624-A648 CarbonylContact O-C 3.53Å; E624-A648 WeakPolarHBondContact O-CA 3.32Å; E624-A648 WeakPolarHBondContact O-CB 3.35Å; Y625-A648 HydrophobicContact CD1-CB 3.82Å; Y625-A648 HydrophobicContact CD2-CB 4.11Å; Y625-A648 HydrophobicContact CE1-CB 3.57Å; Y625-A648 VanDerWaalsContact CE1-N 3.34Å; Y625-A648 HydrophobicContact CE2-CB 3.88Å; Y625-A648 HydrophobicContact CG-CB 4.08Å | ||
| 649 | V | 96.6 | Very high | 94.6 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 165.2 | 176.1 | -62.4 | 0 | 0 | 0 | 0 | 111 | W623 E624 A651 | W623-V649 CarbonylContact C-O 3.23Å; W623-V649 WeakPolarHBondContact CA-O 3.44Å; W623-V649 WeakPolarHBondContact CB-O 3.42Å; E624-V649 PolarHBondContact N-O 3.38Å; E624-V649 PolarHBondContact O-N 3.37Å; V649-A651 PolarHBondContact O-N 3.1Å |
| 650 | R | 96.3 | Very high | 94.8 | Very high | 85 Ų | 85 | 33.2 Ų | 33.2 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 132.9 | 174.8 | -151.5 | 156.4 | -94.9 | 42.7 | -2.2 | 110.2 | D621 W623 Y652 | D621-R650 IonicContact OD2-CZ 3.06Å; D621-R650 IonicContact OD2-NE 2.76Å; D621-R650 IonicContact OD2-NH2 2.66Å; W623-R650 VanDerWaalsContact CZ2-NH2 3.29Å; R650-Y652 VanDerWaalsContact C-N 3.27Å; R650-Y652 HydrophobicContact CG-CD1 3.65Å; R650-Y652 HydrophobicContact CG-CE1 3.43Å; R650-Y652 VanDerWaalsContact CG-CE1 3.43Å; R650-Y652 HydrophobicContact CG-CE2 4.35Å; R650-Y652 HydrophobicContact CG-CG 4.18Å; R650-Y652 WeakPolarHBondContact CG-O 3.29Å; R650-Y652 PolarHBondContact O-N 3.23Å |
| 651 | A | 96.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -77.9 | -10 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F622 E624 V649 Y683 | F622-A651 HydrophobicContact CB-CB 3.83Å; F622-A651 WeakPolarHBondContact O-CB 3.45Å; F622-A651 PolarHBondContact O-N 3.28Å; F622-A651 VanDerWaalsContact O-N 3.08Å; E624-A651 HydrophobicContact CG-CB 3.71Å; V649-A651 PolarHBondContact O-N 3.1Å; A651-Y683 HydrophobicContact CB-CD2 4.24Å; A651-Y683 HydrophobicContact CB-CE2 3.65Å; A651-Y683 WeakPolarHBondContact O-CE2 3.21Å |
| 652 | Y | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | trans | -141.6 | 158.4 | -167.6 | 67.7 | -84.9 | 0 | 0 | 0 | 113.2 | V575 W578 D621 R650 V655 F672 Y673 | V575-Y652 HydrophobicContact CG2-CD2 3.99Å; V575-Y652 HydrophobicContact CG2-CE2 3.73Å; W578-Y652 AromaticContact CH2-CE2 3.86Å; W578-Y652 HydrophobicContact CH2-CE2 3.86Å; W578-Y652 HydrophobicContact CZ2-CE2 4.41Å; D621-Y652 HydrophobicContact CB-CE1 3.75Å; D621-Y652 WeakPolarHBondContact CB-OH 3.47Å; D621-Y652 PolarHBondContact OD2-OH 2.6Å; R650-Y652 VanDerWaalsContact C-N 3.27Å; R650-Y652 HydrophobicContact CG-CD1 3.65Å; R650-Y652 HydrophobicContact CG-CE1 3.43Å; R650-Y652 VanDerWaalsContact CG-CE1 3.43Å; R650-Y652 HydrophobicContact CG-CE2 4.35Å; R650-Y652 HydrophobicContact CG-CG 4.18Å; R650-Y652 WeakPolarHBondContact CG-O 3.29Å; R650-Y652 PolarHBondContact O-N 3.23Å; Y652-V655 HydrophobicContact CD2-CG2 3.49Å; Y652-V655 VanDerWaalsContact CD2-CG2 3.49Å; Y652-V655 HydrophobicContact CE2-CG2 3.19Å; Y652-F672 HydrophobicContact CD1-CB 4.48Å; Y652-F672 AromaticContact CD1-CD1 3.66Å; Y652-F672 HydrophobicContact CD1-CD1 3.66Å; Y652-F672 HydrophobicContact CD1-CE1 4.41Å; Y652-F672 HydrophobicContact CD1-CG 4.5Å; Y652-F672 AromaticContact CD2-CD1 3.84Å; Y652-F672 HydrophobicContact CD2-CD1 3.84Å; Y652-F672 AromaticContact CE1-CD1 3.75Å; Y652-F672 HydrophobicContact CE1-CD1 3.75Å; Y652-F672 HydrophobicContact CE1-CE1 4.05Å; Y652-F672 AromaticContact CE2-CD1 3.92Å; Y652-F672 HydrophobicContact CE2-CD1 3.92Å; Y652-F672 HydrophobicContact CE2-CE1 4.32Å; Y652-F672 HydrophobicContact CG-CB 4.11Å; Y652-F672 AromaticContact CG-CD1 3.72Å; Y652-F672 HydrophobicContact CG-CD1 3.72Å; Y652-F672 HydrophobicContact CG-CG 4.42Å; Y652-F672 AromaticContact CZ-CD1 3.87Å; Y652-F672 AromaticContact CZ-CE1 4Å; Y652-Y673 CarbonylContact C-O 3.55Å; Y652-Y673 VanDerWaalsContact CA-O 3.32Å; Y652-Y673 WeakPolarHBondContact CA-O 3.41Å; Y652-Y673 VanDerWaalsContact CB-O 3.27Å; Y652-Y673 WeakPolarHBondContact CB-O 3.4Å | ||
| 653 | K | 97.7 | Very high | 94.3 | Very high | 109 Ų | 109 | 42.1 Ų | 42.1 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -115.4 | -19 | 177.6 | -63.3 | -70.6 | 178.2 | -179.2 | 0 | 113.7 | V575 Y673 R674 D676 | V575-K653 WeakPolarHBondContact CB-O 3.41Å; V575-K653 WeakPolarHBondContact CG2-O 3.23Å; V575-K653 PolarHBondContact N-O 3.28Å; K653-Y673 PolarHBondContact N-O 3.18Å; K653-R674 WeakPolarHBondContact CB-O 3.48Å; K653-R674 WeakPolarHBondContact CG-O 3.23Å; K653-R674 PolarHBondContact N-O 2.81Å; K653-D676 WeakPolarHBondContact CB-OD1 3.2Å |
| 654 | A | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 154.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R572 R573 R574 Y673 | R572-A654 HydrophobicContact CG-CB 3.9Å; R573-A654 CarbonylContact O-C 3.59Å; R573-A654 VanDerWaalsContact O-CA 3.23Å; R573-A654 WeakPolarHBondContact O-CA 3.33Å; R574-A654 HydrophobicContact CG-CB 4.43Å; A654-Y673 PolarHBondContact N-O 3.42Å; A654-Y673 PolarHBondContact O-N 2.85Å |
| 655 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.1 | 179.2 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | R573 W578 N602 L603 Y652 R671 F672 | R573-V655 PolarHBondContact N-O 3.12Å; R573-V655 PolarHBondContact O-N 2.83Å; W578-V655 HydrophobicContact CZ2-CG2 4.31Å; N602-V655 HydrophobicContact CB-CB 4.2Å; N602-V655 HydrophobicContact CB-CG1 3.89Å; N602-V655 PolarHBondContact ND2-O 3.09Å; L603-V655 HydrophobicContact CD2-CG1 4.26Å; L603-V655 HydrophobicContact CD2-CG2 4.33Å; Y652-V655 HydrophobicContact CD2-CG2 3.49Å; Y652-V655 VanDerWaalsContact CD2-CG2 3.49Å; Y652-V655 HydrophobicContact CE2-CG2 3.19Å; V655-R671 CarbonylContact C-O 3.59Å; V655-R671 WeakPolarHBondContact CA-O 3.13Å; V655-F672 HydrophobicContact CG1-CD1 4.26Å; V655-F672 HydrophobicContact CG1-CE1 4.13Å; V655-F672 HydrophobicContact CG1-CZ 4.33Å; V655-F672 HydrophobicContact CG2-CD1 3.65Å; V655-F672 HydrophobicContact CG2-CE1 3.89Å; V655-F672 HydrophobicContact CG2-CG 4.46Å |
| 656 | E | 97.2 | Very high | 95.1 | Very high | 50 Ų | 50 | 35.9 Ų | 35.9 | 23% | 0.234 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.2 | 170.8 | -175.1 | 176.5 | 166.3 | 0 | 0 | 109.7 | R572 Q670 R671 Y673 | R572-E656 HydrophobicContact CB-CB 4.36Å; R572-E656 HydrophobicContact CG-CB 4.41Å; R572-E656 IonicContact NE-OE2 3.97Å; R572-E656 IonicContact NH2-OE2 2.68Å; E656-Q670 CarbonylContact O-C 3.57Å; E656-Q670 VanDerWaalsContact O-CA 3.31Å; E656-Q670 WeakPolarHBondContact O-CA 3.22Å; E656-R671 HydrophobicContact CB-CB 4.34Å; E656-R671 PolarHBondContact N-O 3.41Å; E656-R671 PolarHBondContact O-N 3.2Å; E656-Y673 HydrophobicContact CB-CE2 3.89Å; E656-Y673 PolarHBondContact OE2-OH 2.75Å |
| 657 | M | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.5 | 178.6 | 178.5 | 179.2 | 70.9 | 0 | 0 | 110.5 | F570 L586 F597 N602 I659 I668 R669 Q670 | F570-M657 HydrophobicContact CB-CB 4.46Å; F570-M657 HydrophobicContact CB-CE 4.27Å; F570-M657 WeakPolarHBondContact CB-O 3.05Å; F570-M657 HydrophobicContact CD1-CE 4Å; F570-M657 HydrophobicContact CD2-CE 3.59Å; F570-M657 HydrophobicContact CD2-CG 4.33Å; F570-M657 WeakPolarHBondContact CD2-O 3.37Å; F570-M657 HydrophobicContact CE1-CE 4.26Å; F570-M657 HydrophobicContact CE2-CE 3.89Å; F570-M657 HydrophobicContact CG-CE 3.66Å; F570-M657 HydrophobicContact CZ-CE 4.23Å; F570-M657 PolarHBondContact N-O 2.86Å; L586-M657 HydrophobicContact CD2-CE 4.43Å; F597-M657 HydrophobicContact CB-CE 4.46Å; F597-M657 HydrophobicContact CB-SD 4.02Å; F597-M657 HydrophobicContact CD1-SD 3.92Å; F597-M657 HydrophobicContact CG-SD 4.11Å; N602-M657 HydrophobicContact CB-CB 3.81Å; M657-I659 HydrophobicContact CE-CD1 4.07Å; M657-I659 HydrophobicContact CG-CG1 4.19Å; M657-I659 HydrophobicContact SD-CD1 4.1Å; M657-I659 HydrophobicContact SD-CG1 4.31Å; M657-I668 HydrophobicContact CG-CG2 4.36Å; M657-R669 CarbonylContact C-O 3.47Å; M657-R669 WeakPolarHBondContact CA-O 3.46Å; M657-Q670 HydrophobicContact CG-CG 4.49Å |
| 658 | E | 96.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.4 | 170.5 | 176.5 | -178.5 | -139.8 | 0 | 0 | 107.9 | S567 V568 I660 I668 R669 | S567-E658 WeakPolarHBondContact CB-OE1 3.49Å; S567-E658 PolarHBondContact OG-OE1 3.44Å; V568-E658 WeakPolarHBondContact O-CA 3.32Å; E658-I660 HydrophobicContact CG-CG1 4.25Å; E658-I668 WeakPolarHBondContact O-CA 3.27Å; E658-R669 HydrophobicContact CB-CB 4.29Å; E658-R669 PolarHBondContact N-O 2.79Å; E658-R669 PolarHBondContact O-N 2.79Å; E658-R669 WeakPolarHBondContact OE2-CD 3.32Å; E658-R669 IonicContact OE2-CZ 2.71Å; E658-R669 IonicContact OE2-NE 3.92Å; E658-R669 IonicContact OE2-NH1 2.7Å; E658-R669 PolarHBondContact OE2-NH1 2.77Å |
| 659 | I | 97.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.8 | 175.2 | -61.2 | 176.9 | 0 | 0 | 0 | 108.6 | V568 F570 L586 V588 M657 P661 T666 I668 | V568-I659 PolarHBondContact N-O 3.34Å; V568-I659 PolarHBondContact O-N 2.7Å; F570-I659 HydrophobicContact CE2-CB 4.21Å; F570-I659 HydrophobicContact CE2-CD1 3.91Å; F570-I659 HydrophobicContact CE2-CG1 3.97Å; F570-I659 HydrophobicContact CZ-CD1 4.28Å; L586-I659 HydrophobicContact CD2-CD1 3.36Å; V588-I659 HydrophobicContact CG2-CD1 4.21Å; M657-I659 HydrophobicContact CE-CD1 4.07Å; M657-I659 HydrophobicContact CG-CG1 4.19Å; M657-I659 HydrophobicContact SD-CD1 4.1Å; M657-I659 HydrophobicContact SD-CG1 4.31Å; I659-P661 HydrophobicContact CG2-CG 4.19Å; I659-P661 WeakPolarHBondContact O-CD 3.27Å; I659-T666 HydrophobicContact CG2-CG2 3.97Å; I659-I668 HydrophobicContact CG1-CG1 4.15Å; I659-I668 HydrophobicContact CG1-CG2 4.25Å; I659-I668 HydrophobicContact CG2-CG1 4.41Å |
| 660 | I | 96.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 87.1 | -178.2 | -50.9 | 177.6 | 0 | 0 | 0 | 107.3 | Q519 A565 E658 G662 T666 E667 | Q519-I660 HydrophobicContact CB-CG2 4.07Å; A565-I660 HydrophobicContact CB-CG2 3.67Å; E658-I660 HydrophobicContact CG-CG1 4.25Å; I660-G662 PolarHBondContact O-N 3.23Å; I660-T666 WeakPolarHBondContact O-CA 3.44Å; I660-E667 HydrophobicContact CB-CB 4.33Å; I660-E667 PolarHBondContact N-O 3.43Å; I660-E667 PolarHBondContact O-N 3.28Å |
| 661 | P | 94.8 | Very high | 96 | Very high | 56 Ų | 56 | 25.4 Ų | 25.4 | 36% | 0.364 | 12% | 0.121 | S | C | . | . | trans | -67.8 | 129 | 179.8 | -16.7 | 31.4 | 0 | 0 | 0 | 110.2 | Y563 R566 I659 | Y563-P661 WeakPolarHBondContact CE1-O 3.44Å; R566-P661 WeakPolarHBondContact O-CD 3.42Å; I659-P661 HydrophobicContact CG2-CG 4.19Å; I659-P661 WeakPolarHBondContact O-CD 3.27Å | ||
| 662 | G | 92 | Very high | 96 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 16% | 0.155 | 12% | 0.12 | C | C | . | . | trans | -128.7 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q517 I660 L665 T666 | Q517-G662 VanDerWaalsContact OE1-C 3.32Å; I660-G662 PolarHBondContact O-N 3.23Å; G662-L665 WeakPolarHBondContact CA-O 3.48Å; G662-L665 PolarHBondContact N-O 2.89Å; G662-T666 PolarHBondContact N-OG1 3.24Å | ||
| 663 | K | 89.5 | Confident | 96 | Very high | 141 Ų | 141 | 25.6 Ų | 25.6 | 61% | 0.613 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -98.9 | -23 | 172.2 | -70.9 | -167.6 | -179 | -177.3 | 0 | 113 | Y563 | Y563-K663 HydrophobicContact CD1-CB 4.3Å; Y563-K663 HydrophobicContact CD1-CG 4.05Å; Y563-K663 HydrophobicContact CD2-CD 3.71Å; Y563-K663 HydrophobicContact CD2-CG 3.76Å; Y563-K663 HydrophobicContact CE1-CG 4.48Å; Y563-K663 HydrophobicContact CE2-CD 4.39Å; Y563-K663 HydrophobicContact CE2-CG 4.22Å; Y563-K663 HydrophobicContact CG-CB 4.05Å; Y563-K663 HydrophobicContact CG-CD 3.91Å; Y563-K663 HydrophobicContact CG-CG 3.65Å |
| 664 | V | 91 | Very high | 95.9 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -91.6 | -48.6 | 173.6 | 175 | 0 | 0 | 0 | 0 | 109.9 | V494 Q517 F531 V533 E691 Y692 | V494-V664 HydrophobicContact CG1-CG1 4.22Å; V494-V664 HydrophobicContact CG2-CG1 3.9Å; Q517-V664 HydrophobicContact CB-CB 3.98Å; Q517-V664 HydrophobicContact CB-CG2 3.84Å; F531-V664 HydrophobicContact CB-CG1 4.35Å; V533-V664 HydrophobicContact CG2-CG1 3.85Å; V664-E691 PolarHBondContact O-N 2.62Å; V664-Y692 PolarHBondContact O-N 3.31Å |
| 665 | L | 93.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 153.8 | 176.1 | 61.6 | 86.1 | 0 | 0 | 0 | 110.3 | V494 Q517 F531 G662 E667 R688 V689 | V494-L665 HydrophobicContact CG1-CD2 4.16Å; Q517-L665 PolarHBondContact NE2-O 2.99Å; Q517-L665 PolarHBondContact OE1-O 3.05Å; F531-L665 HydrophobicContact CB-CD2 4.42Å; F531-L665 HydrophobicContact CD1-CD2 3.77Å; F531-L665 HydrophobicContact CE1-CD2 4.11Å; F531-L665 HydrophobicContact CG-CD2 3.98Å; G662-L665 WeakPolarHBondContact CA-O 3.48Å; G662-L665 PolarHBondContact N-O 2.89Å; L665-E667 HydrophobicContact CD1-CB 3.98Å; L665-R688 HydrophobicContact CD1-CB 4.4Å; L665-R688 HydrophobicContact CD1-CG 4.27Å; L665-R688 HydrophobicContact CD2-CB 4.49Å; L665-V689 CarbonylContact C-O 3.31Å; L665-V689 VanDerWaalsContact CA-O 3.23Å; L665-V689 WeakPolarHBondContact CA-O 3.37Å; L665-V689 WeakPolarHBondContact CB-O 3.23Å |
| 666 | T | 95.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.2 | 165.5 | -68.4 | 0 | 0 | 0 | 0 | 108.9 | V588 I659 I660 G662 V689 E691 | V588-T666 HydrophobicContact CG1-CG2 3.74Å; I659-T666 HydrophobicContact CG2-CG2 3.97Å; I660-T666 WeakPolarHBondContact O-CA 3.44Å; G662-T666 PolarHBondContact N-OG1 3.24Å; T666-V689 PolarHBondContact N-O 2.85Å; T666-V689 PolarHBondContact O-N 2.92Å; T666-E691 WeakPolarHBondContact CB-OE1 3.42Å; T666-E691 PolarHBondContact OG1-OE1 3.23Å |
| 667 | E | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.9 | 176.9 | -170.1 | 171.6 | 87.7 | 0 | 0 | 110.5 | Q519 I660 L665 R669 T686 R688 | Q519-E667 VanDerWaalsContact NE2-CD 3.29Å; Q519-E667 PolarHBondContact NE2-OE1 3.23Å; I660-E667 HydrophobicContact CB-CB 4.33Å; I660-E667 PolarHBondContact N-O 3.43Å; I660-E667 PolarHBondContact O-N 3.28Å; L665-E667 HydrophobicContact CD1-CB 3.98Å; E667-R669 HydrophobicContact CG-CG 4.3Å; E667-R669 IonicContact OE1-CZ 3.89Å; E667-R669 IonicContact OE1-NE 3.98Å; E667-R669 PolarHBondContact OE1-NE 2.85Å; E667-R669 IonicContact OE1-NH2 2.91Å; E667-R669 PolarHBondContact OE1-NH2 3.01Å; E667-T686 VanDerWaalsContact CD-CG2 3.42Å; E667-T686 HydrophobicContact CG-CG2 3.52Å; E667-T686 WeakPolarHBondContact OE2-CG2 3.26Å; E667-R688 HydrophobicContact CG-CG 4.11Å; E667-R688 IonicContact OE2-CZ 3.21Å; E667-R688 IonicContact OE2-NE 2.87Å; E667-R688 PolarHBondContact OE2-NE 3.2Å; E667-R688 IonicContact OE2-NH2 3.93Å; E667-R688 PolarHBondContact OE2-NH2 2.82Å |
| 668 | I | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.6 | 176.5 | -59.2 | 140.1 | 0 | 0 | 0 | 107.5 | V588 F597 M657 E658 I659 Q670 T686 T687 V689 | V588-I668 HydrophobicContact CB-CD1 4.4Å; V588-I668 HydrophobicContact CG1-CD1 4.19Å; V588-I668 HydrophobicContact CG2-CD1 4.18Å; V588-I668 HydrophobicContact CG2-CG1 4.41Å; F597-I668 HydrophobicContact CE1-CG2 3.93Å; F597-I668 HydrophobicContact CE2-CD1 3.56Å; F597-I668 HydrophobicContact CE2-CG1 4.36Å; F597-I668 HydrophobicContact CZ-CD1 3.64Å; F597-I668 HydrophobicContact CZ-CG1 4.37Å; F597-I668 HydrophobicContact CZ-CG2 3.97Å; M657-I668 HydrophobicContact CG-CG2 4.36Å; E658-I668 WeakPolarHBondContact O-CA 3.27Å; I659-I668 HydrophobicContact CG1-CG1 4.15Å; I659-I668 HydrophobicContact CG1-CG2 4.25Å; I659-I668 HydrophobicContact CG2-CG1 4.41Å; I668-Q670 HydrophobicContact CG2-CG 4.32Å; I668-T686 CarbonylContact O-C 3.6Å; I668-T686 WeakPolarHBondContact O-CA 3.46Å; I668-T687 PolarHBondContact N-O 3.02Å; I668-T687 PolarHBondContact O-N 3.09Å; I668-V689 HydrophobicContact CD1-CG2 3.72Å |
| 669 | R | 97.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 5% | 0.045 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.7 | -179.9 | -62.8 | 166.4 | 179 | -178.6 | -0.8 | 108.7 | K520 M657 E658 E667 T686 | K520-R669 PolarHBondContact O-NH2 2.78Å; M657-R669 CarbonylContact C-O 3.47Å; M657-R669 WeakPolarHBondContact CA-O 3.46Å; E658-R669 HydrophobicContact CB-CB 4.29Å; E658-R669 PolarHBondContact N-O 2.79Å; E658-R669 PolarHBondContact O-N 2.79Å; E658-R669 WeakPolarHBondContact OE2-CD 3.32Å; E658-R669 IonicContact OE2-CZ 2.71Å; E658-R669 IonicContact OE2-NE 3.92Å; E658-R669 IonicContact OE2-NH1 2.7Å; E658-R669 PolarHBondContact OE2-NH1 2.77Å; E667-R669 HydrophobicContact CG-CG 4.3Å; E667-R669 IonicContact OE1-CZ 3.89Å; E667-R669 IonicContact OE1-NE 3.98Å; E667-R669 PolarHBondContact OE1-NE 2.85Å; E667-R669 IonicContact OE1-NH2 2.91Å; E667-R669 PolarHBondContact OE1-NH2 3.01Å; R669-T686 HydrophobicContact CG-CG2 4.28Å |
| 670 | Q | 97.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.3 | 174 | -62.5 | 171.5 | -89.1 | 0 | 0 | 108.9 | N602 E656 M657 I668 F672 S684 I685 | N602-Q670 PolarHBondContact O-NE2 3.09Å; E656-Q670 CarbonylContact O-C 3.57Å; E656-Q670 VanDerWaalsContact O-CA 3.31Å; E656-Q670 WeakPolarHBondContact O-CA 3.22Å; M657-Q670 HydrophobicContact CG-CG 4.49Å; I668-Q670 HydrophobicContact CG2-CG 4.32Å; Q670-F672 HydrophobicContact CB-CD2 4.46Å; Q670-F672 HydrophobicContact CB-CE2 3.62Å; Q670-F672 HydrophobicContact CB-CZ 4.1Å; Q670-S684 CarbonylContact O-C 3.58Å; Q670-S684 WeakPolarHBondContact O-CA 3.49Å; Q670-S684 WeakPolarHBondContact O-CB 2.93Å; Q670-I685 HydrophobicContact CB-CB 4.42Å; Q670-I685 PolarHBondContact N-O 2.77Å; Q670-I685 PolarHBondContact O-N 2.99Å |
| 671 | R | 96.8 | Very high | 94.1 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 33% | 0.325 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124 | -179.7 | -62.3 | 178.7 | -171.2 | -125.6 | 2 | 108.9 | V655 E656 Y673 C681 | V655-R671 CarbonylContact C-O 3.59Å; V655-R671 WeakPolarHBondContact CA-O 3.13Å; E656-R671 HydrophobicContact CB-CB 4.34Å; E656-R671 PolarHBondContact N-O 3.41Å; E656-R671 PolarHBondContact O-N 3.2Å; R671-Y673 HydrophobicContact CB-CE2 3.84Å; R671-C681 HydrophobicContact CB-CB 3.79Å |
| 672 | F | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.6 | -174.7 | -60.9 | -104.7 | 0 | 0 | 0 | 109.2 | L603 D621 F622 Y652 V655 Q670 C681 A682 Y683 I685 | L603-F672 HydrophobicContact CD2-CE1 3.68Å; L603-F672 HydrophobicContact CD2-CZ 3.92Å; D621-F672 HydrophobicContact CB-CE1 4.16Å; F622-F672 HydrophobicContact CD2-CB 4.42Å; F622-F672 HydrophobicContact CD2-CD1 4.17Å; F622-F672 AromaticContact CD2-CD2 3.84Å; F622-F672 HydrophobicContact CD2-CD2 3.84Å; F622-F672 HydrophobicContact CD2-CE1 4.39Å; F622-F672 HydrophobicContact CD2-CE2 4.1Å; F622-F672 AromaticContact CD2-CG 3.89Å; F622-F672 HydrophobicContact CD2-CG 3.89Å; F622-F672 HydrophobicContact CD2-CZ 4.37Å; F622-F672 AromaticContact CE2-CD2 3.67Å; F622-F672 HydrophobicContact CE2-CD2 3.67Å; F622-F672 AromaticContact CE2-CE2 3.83Å; F622-F672 HydrophobicContact CE2-CE2 3.83Å; F622-F672 HydrophobicContact CE2-CG 4.2Å; F622-F672 HydrophobicContact CE2-CZ 4.44Å; Y652-F672 HydrophobicContact CD1-CB 4.48Å; Y652-F672 AromaticContact CD1-CD1 3.66Å; Y652-F672 HydrophobicContact CD1-CD1 3.66Å; Y652-F672 HydrophobicContact CD1-CE1 4.41Å; Y652-F672 HydrophobicContact CD1-CG 4.5Å; Y652-F672 AromaticContact CD2-CD1 3.84Å; Y652-F672 HydrophobicContact CD2-CD1 3.84Å; Y652-F672 AromaticContact CE1-CD1 3.75Å; Y652-F672 HydrophobicContact CE1-CD1 3.75Å; Y652-F672 HydrophobicContact CE1-CE1 4.05Å; Y652-F672 AromaticContact CE2-CD1 3.92Å; Y652-F672 HydrophobicContact CE2-CD1 3.92Å; Y652-F672 HydrophobicContact CE2-CE1 4.32Å; Y652-F672 HydrophobicContact CG-CB 4.11Å; Y652-F672 AromaticContact CG-CD1 3.72Å; Y652-F672 HydrophobicContact CG-CD1 3.72Å; Y652-F672 HydrophobicContact CG-CG 4.42Å; Y652-F672 AromaticContact CZ-CD1 3.87Å; Y652-F672 AromaticContact CZ-CE1 4Å; V655-F672 HydrophobicContact CG1-CD1 4.26Å; V655-F672 HydrophobicContact CG1-CE1 4.13Å; V655-F672 HydrophobicContact CG1-CZ 4.33Å; V655-F672 HydrophobicContact CG2-CD1 3.65Å; V655-F672 HydrophobicContact CG2-CE1 3.89Å; V655-F672 HydrophobicContact CG2-CG 4.46Å; Q670-F672 HydrophobicContact CB-CD2 4.46Å; Q670-F672 HydrophobicContact CB-CE2 3.62Å; Q670-F672 HydrophobicContact CB-CZ 4.1Å; F672-C681 WeakPolarHBondContact O-CB 3.48Å; F672-A682 PolarHBondContact O-N 2.88Å; F672-Y683 HydrophobicContact CB-CD2 4.13Å; F672-Y683 PolarHBondContact N-O 3.43Å; F672-Y683 PolarHBondContact O-N 3.19Å; F672-I685 HydrophobicContact CE2-CB 4.34Å; F672-I685 HydrophobicContact CE2-CD1 3.77Å; F672-I685 HydrophobicContact CE2-CG1 3.72Å; F672-I685 HydrophobicContact CZ-CD1 3.81Å; F672-I685 HydrophobicContact CZ-CG1 4.3Å |
| 673 | Y | 97.2 | Very high | 94.4 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130 | -175.3 | -65.8 | -91.8 | 0 | 0 | 0 | 109.7 | R572 Y652 K653 A654 E656 R671 E675 D678 E679 D680 C681 | R572-Y673 VanDerWaalsContact CZ-CZ 3.48Å; R572-Y673 PolarHBondContact NH2-OH 2.77Å; Y652-Y673 CarbonylContact C-O 3.55Å; Y652-Y673 VanDerWaalsContact CA-O 3.32Å; Y652-Y673 WeakPolarHBondContact CA-O 3.41Å; Y652-Y673 VanDerWaalsContact CB-O 3.27Å; Y652-Y673 WeakPolarHBondContact CB-O 3.4Å; K653-Y673 PolarHBondContact N-O 3.18Å; A654-Y673 PolarHBondContact N-O 3.42Å; A654-Y673 PolarHBondContact O-N 2.85Å; E656-Y673 HydrophobicContact CB-CE2 3.89Å; E656-Y673 PolarHBondContact OE2-OH 2.75Å; R671-Y673 HydrophobicContact CB-CE2 3.84Å; Y673-E675 WeakPolarHBondContact CB-O 3.43Å; Y673-D678 HydrophobicContact CD1-CB 4.02Å; Y673-D678 WeakPolarHBondContact CD1-O 3.45Å; Y673-E679 WeakPolarHBondContact CE1-O 3.45Å; Y673-D680 WeakPolarHBondContact CD1-O 2.88Å; Y673-D680 VanDerWaalsContact CE1-C 3.48Å; Y673-C681 HydrophobicContact CD1-CB 4.2Å; Y673-C681 HydrophobicContact CD2-CB 4.5Å; Y673-C681 HydrophobicContact CE1-CB 3.88Å; Y673-C681 HydrophobicContact CE2-CB 4.19Å; Y673-C681 HydrophobicContact CG-CB 4.49Å |
| 674 | R | 95.1 | Very high | 94.7 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 15% | 0.151 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -66.1 | -45 | -175.1 | -166.3 | 175.7 | -67.6 | 142.1 | -11.2 | 110 | K653 D678 A682 Y683 R712 | K653-R674 WeakPolarHBondContact CB-O 3.48Å; K653-R674 WeakPolarHBondContact CG-O 3.23Å; K653-R674 PolarHBondContact N-O 2.81Å; R674-D678 WeakPolarHBondContact CB-OD2 3.05Å; R674-D678 PolarHBondContact N-OD2 2.93Å; R674-A682 HydrophobicContact CB-CB 4.05Å; R674-Y683 PolarHBondContact NE-OH 3.07Å; R674-Y683 VanDerWaalsContact NE-OH 3.14Å; R674-Y683 PolarHBondContact NH2-OH 3.48Å; R674-R712 VanDerWaalsContact CD-NE 3.29Å |
| 675 | E | 95.3 | Very high | 95 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -116.3 | 157.6 | 170.4 | -51 | -59.5 | 156.3 | 0 | 0 | 111.5 | Y673 G677 D678 R712 | Y673-E675 WeakPolarHBondContact CB-O 3.43Å; E675-G677 PolarHBondContact O-N 2.95Å; E675-D678 PolarHBondContact N-OD2 2.8Å; E675-D678 PolarHBondContact O-N 3.37Å; E675-R712 IonicContact OE1-NH2 3.62Å; E675-R712 PolarHBondContact OE1-NH2 2.87Å; E675-R712 VanDerWaalsContact OE1-NH2 3.14Å |
| 676 | D | 89.3 | Confident | 95.2 | Very high | 48 Ų | 48 | 39 Ų | 39 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.7 | -177.8 | -76.1 | -15.6 | 0 | 0 | 0 | 113 | K576 K653 | K576-D676 WeakPolarHBondContact CE-OD2 3.45Å; K576-D676 IonicContact NZ-OD2 2.76Å; K576-D676 PolarHBondContact NZ-OD2 3.24Å; K653-D676 WeakPolarHBondContact CB-OD1 3.2Å |
| 677 | G | 90.5 | Very high | 95.3 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 72% | 0.722 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | E675 E679 | E675-G677 PolarHBondContact O-N 2.95Å; G677-E679 PolarHBondContact O-N 3.18Å |
| 678 | D | 93.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | trans | -64.4 | 134.8 | 179.8 | -70.8 | -15.2 | 0 | 0 | 0 | 110.8 | R572 Y673 R674 E675 | R572-D678 PolarHBondContact NH1-O 3.23Å; Y673-D678 HydrophobicContact CD1-CB 4.02Å; Y673-D678 WeakPolarHBondContact CD1-O 3.45Å; R674-D678 WeakPolarHBondContact CB-OD2 3.05Å; R674-D678 PolarHBondContact N-OD2 2.93Å; E675-D678 PolarHBondContact N-OD2 2.8Å; E675-D678 PolarHBondContact O-N 3.37Å | ||
| 679 | E | 90.8 | Very high | 95.1 | Very high | 175 Ų | 175 | 40.5 Ų | 40.5 | 82% | 0.818 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -72.7 | -45.1 | 173.2 | -66.2 | -172.2 | 171.7 | 0 | 0 | 110.8 | Y673 G677 | Y673-E679 WeakPolarHBondContact CE1-O 3.45Å; G677-E679 PolarHBondContact O-N 3.18Å |
| 680 | D | 90.9 | Very high | 94.9 | Very high | 136 Ų | 136 | 40.3 Ų | 40.3 | 73% | 0.727 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -99.3 | 142.4 | -179.6 | -68.7 | -46.1 | 0 | 0 | 0 | 112.3 | Y673 | Y673-D680 WeakPolarHBondContact CD1-O 2.88Å; Y673-D680 VanDerWaalsContact CE1-C 3.48Å |
| 681 | C | 93.3 | Very high | 94.3 | Very high | 39 Ų | 39 | 43 Ų | 43 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | trans | -77.7 | 139.1 | 174.2 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | R671 F672 Y673 | R671-C681 HydrophobicContact CB-CB 3.79Å; F672-C681 WeakPolarHBondContact O-CB 3.48Å; Y673-C681 HydrophobicContact CD1-CB 4.2Å; Y673-C681 HydrophobicContact CD2-CB 4.5Å; Y673-C681 HydrophobicContact CE1-CB 3.88Å; Y673-C681 HydrophobicContact CE2-CB 4.19Å; Y673-C681 HydrophobicContact CG-CB 4.49Å | ||
| 682 | A | 94.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -80.9 | -29 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F672 R674 | F672-A682 PolarHBondContact O-N 2.88Å; R674-A682 HydrophobicContact CB-CB 4.05Å |
| 683 | Y | 96.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 150.1 | -179.4 | -35 | -80.3 | 0 | 0 | 0 | 110.8 | F622 E624 A651 F672 R674 S707 L708 L711 V717 | F622-Y683 HydrophobicContact CB-CD2 4.41Å; F622-Y683 HydrophobicContact CB-CG 4.34Å; F622-Y683 HydrophobicContact CD1-CD1 4.41Å; F622-Y683 HydrophobicContact CD1-CG 4.35Å; F622-Y683 VanDerWaalsContact CD2-CB 3.44Å; F622-Y683 HydrophobicContact CD2-CD2 4.49Å; F622-Y683 HydrophobicContact CD2-CG 4.02Å; F622-Y683 HydrophobicContact CE2-CG 4.36Å; F622-Y683 HydrophobicContact CG-CD1 4.46Å; F622-Y683 HydrophobicContact CG-CD2 4.48Å; F622-Y683 AromaticContact CG-CG 4Å; F622-Y683 HydrophobicContact CG-CG 4Å; E624-Y683 VanDerWaalsContact OE1-CZ 3.25Å; E624-Y683 PolarHBondContact OE1-OH 3.02Å; A651-Y683 HydrophobicContact CB-CD2 4.24Å; A651-Y683 HydrophobicContact CB-CE2 3.65Å; A651-Y683 WeakPolarHBondContact O-CE2 3.21Å; F672-Y683 HydrophobicContact CB-CD2 4.13Å; F672-Y683 PolarHBondContact N-O 3.43Å; F672-Y683 PolarHBondContact O-N 3.19Å; R674-Y683 PolarHBondContact NE-OH 3.07Å; R674-Y683 VanDerWaalsContact NE-OH 3.14Å; R674-Y683 PolarHBondContact NH2-OH 3.48Å; Y683-S707 CarbonylContact C-O 3.59Å; Y683-S707 VanDerWaalsContact CA-O 3.27Å; Y683-S707 WeakPolarHBondContact CA-O 3.48Å; Y683-L708 HydrophobicContact CD1-CB 3.64Å; Y683-L708 HydrophobicContact CE1-CB 4.29Å; Y683-L711 HydrophobicContact CE1-CD2 4.23Å; Y683-V717 HydrophobicContact CD1-CG1 4.45Å; Y683-V717 HydrophobicContact CE1-CG1 4.31Å; Y683-V717 HydrophobicContact CE1-CG2 4.03Å |
| 684 | S | 97.1 | Very high | 88.9 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 151.9 | 170.6 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | Q670 Y706 S707 | Q670-S684 CarbonylContact O-C 3.58Å; Q670-S684 WeakPolarHBondContact O-CA 3.49Å; Q670-S684 WeakPolarHBondContact O-CB 2.93Å; S684-Y706 WeakPolarHBondContact O-CA 3.33Å; S684-S707 PolarHBondContact N-O 3.05Å; S684-S707 PolarHBondContact O-N 3.13Å; S684-S707 WeakPolarHBondContact OG-CB 3.35Å |
| 685 | I | 97.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.4 | 170.7 | -53.6 | 176.7 | 0 | 0 | 0 | 107.3 | Q620 F622 Q670 F672 Y706 L719 | Q620-I685 HydrophobicContact CG-CD1 4.43Å; F622-I685 HydrophobicContact CE2-CD1 4.04Å; F622-I685 HydrophobicContact CE2-CG1 3.63Å; F622-I685 HydrophobicContact CZ-CD1 4.46Å; F622-I685 HydrophobicContact CZ-CG1 3.85Å; Q670-I685 HydrophobicContact CB-CB 4.42Å; Q670-I685 PolarHBondContact N-O 2.77Å; Q670-I685 PolarHBondContact O-N 2.99Å; F672-I685 HydrophobicContact CE2-CB 4.34Å; F672-I685 HydrophobicContact CE2-CD1 3.77Å; F672-I685 HydrophobicContact CE2-CG1 3.72Å; F672-I685 HydrophobicContact CZ-CD1 3.81Å; F672-I685 HydrophobicContact CZ-CG1 4.3Å; I685-Y706 HydrophobicContact CB-CE1 4.45Å; I685-Y706 HydrophobicContact CD1-CE1 4.13Å; I685-Y706 HydrophobicContact CG1-CD1 3.85Å; I685-Y706 HydrophobicContact CG1-CE1 3.86Å; I685-Y706 HydrophobicContact CG2-CD1 4.41Å; I685-Y706 HydrophobicContact CG2-CE1 3.97Å; I685-L719 HydrophobicContact CD1-CD1 4.31Å |
| 686 | T | 97.4 | Very high | 86.1 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 10% | 0.104 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 106 | 169.2 | -61.1 | 0 | 0 | 0 | 0 | 108.2 | E667 I668 R669 Q704 T705 | E667-T686 VanDerWaalsContact CD-CG2 3.42Å; E667-T686 HydrophobicContact CG-CG2 3.52Å; E667-T686 WeakPolarHBondContact OE2-CG2 3.26Å; I668-T686 CarbonylContact O-C 3.6Å; I668-T686 WeakPolarHBondContact O-CA 3.46Å; R669-T686 HydrophobicContact CG-CG2 4.28Å; T686-Q704 WeakPolarHBondContact O-CA 3.42Å; T686-T705 PolarHBondContact N-O 3.45Å; T686-T705 PolarHBondContact O-N 3.34Å |
| 687 | T | 97.7 | Very high | 85.5 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.1 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | I668 V689 E703 Q704 | I668-T687 PolarHBondContact N-O 3.02Å; I668-T687 PolarHBondContact O-N 3.09Å; T687-V689 HydrophobicContact CG2-CG2 4.25Å; T687-E703 CarbonylContact C-O 3.5Å; T687-E703 WeakPolarHBondContact CA-O 3.25Å; T687-Q704 HydrophobicContact CG2-CG 4.17Å; T687-Q704 PolarHBondContact OG1-NE2 3.37Å |
| 688 | R | 95.9 | Very high | 85.1 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.2 | 173.9 | -64.9 | 176 | -179.3 | 134.6 | 2.3 | 109.4 | L665 E667 P690 E703 | L665-R688 HydrophobicContact CD1-CB 4.4Å; L665-R688 HydrophobicContact CD1-CG 4.27Å; L665-R688 HydrophobicContact CD2-CB 4.49Å; E667-R688 HydrophobicContact CG-CG 4.11Å; E667-R688 IonicContact OE2-CZ 3.21Å; E667-R688 IonicContact OE2-NE 2.87Å; E667-R688 PolarHBondContact OE2-NE 3.2Å; E667-R688 IonicContact OE2-NH2 3.93Å; E667-R688 PolarHBondContact OE2-NH2 2.82Å; R688-P690 WeakPolarHBondContact O-CD 3.35Å; R688-E703 HydrophobicContact CB-CB 4.37Å; R688-E703 IonicContact CZ-OE1 3.94Å; R688-E703 PolarHBondContact N-O 3.49Å; R688-E703 IonicContact NH1-OE1 3.92Å; R688-E703 PolarHBondContact NH1-OE1 2.75Å; R688-E703 PolarHBondContact O-N 3.41Å |
| 689 | V | 95.4 | Very high | 84.9 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 108.9 | -179.8 | -173 | 0 | 0 | 0 | 0 | 108.5 | V588 N590 L595 L665 T666 I668 T687 E691 L702 | V588-V689 HydrophobicContact CG1-CB 4.43Å; V588-V689 HydrophobicContact CG1-CG1 4.45Å; V588-V689 HydrophobicContact CG1-CG2 4.17Å; N590-V689 HydrophobicContact CB-CG1 3.86Å; L595-V689 HydrophobicContact CD1-CG2 3.79Å; L665-V689 CarbonylContact C-O 3.31Å; L665-V689 VanDerWaalsContact CA-O 3.23Å; L665-V689 WeakPolarHBondContact CA-O 3.37Å; L665-V689 WeakPolarHBondContact CB-O 3.23Å; T666-V689 PolarHBondContact N-O 2.85Å; T666-V689 PolarHBondContact O-N 2.92Å; I668-V689 HydrophobicContact CD1-CG2 3.72Å; T687-V689 HydrophobicContact CG2-CG2 4.25Å; V689-E691 PolarHBondContact O-N 2.95Å; V689-L702 HydrophobicContact CB-CD2 4.4Å; V689-L702 HydrophobicContact CG1-CD2 4.07Å; V689-L702 HydrophobicContact CG2-CD2 4.17Å |
| 690 | P | 91.9 | Very high | 84.9 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.045 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.9 | 124.8 | 173.7 | -38.9 | 44.8 | 0 | 0 | 0 | 114.8 | N590 R688 W698 R701 | N590-P690 WeakPolarHBondContact CB-O 3.45Å; N590-P690 PolarHBondContact ND2-O 3.11Å; R688-P690 WeakPolarHBondContact O-CD 3.35Å; P690-W698 HydrophobicContact CB-CD2 3.78Å; P690-W698 HydrophobicContact CB-CE3 3.51Å; P690-W698 HydrophobicContact CB-CH2 3.34Å; P690-W698 HydrophobicContact CB-CZ2 3.57Å; P690-W698 HydrophobicContact CB-CZ3 3.32Å; P690-W698 HydrophobicContact CG-CD2 4.1Å; P690-W698 HydrophobicContact CG-CE3 4.32Å; P690-W698 HydrophobicContact CG-CH2 3.97Å; P690-W698 HydrophobicContact CG-CZ2 3.66Å; P690-W698 HydrophobicContact CG-CZ3 4.3Å; P690-R701 WeakPolarHBondContact CD-O 2.87Å; P690-R701 WeakPolarHBondContact CG-O 3.41Å |
| 691 | E | 84.8 | Confident | 84.9 | Confident | 60 Ų | 60 | 37.5 Ų | 37.5 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | trans | -109.2 | -38.1 | 176.8 | -66 | -73.2 | 176.7 | 0 | 0 | 112.9 | L589 V664 T666 V689 S693 | L589-E691 VanDerWaalsContact O-OE1 3.13Å; V664-E691 PolarHBondContact O-N 2.62Å; T666-E691 WeakPolarHBondContact CB-OE1 3.42Å; T666-E691 PolarHBondContact OG1-OE1 3.23Å; V689-E691 PolarHBondContact O-N 2.95Å; E691-S693 VanDerWaalsContact C-N 3.27Å; E691-S693 PolarHBondContact O-N 2.82Å | ||
| 692 | Y | 63.1 | Low | 85 | Confident | 94 Ų | 94 | 35.7 Ų | 35.7 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -66.7 | -5.4 | -166.7 | -178.1 | -105.6 | 0 | 0 | 0 | 117.2 | P515 V533 V664 | P515-Y692 HydrophobicContact CB-CD2 3.7Å; P515-Y692 HydrophobicContact CB-CE1 4.49Å; P515-Y692 HydrophobicContact CB-CE2 3.27Å; P515-Y692 HydrophobicContact CB-CG 4.5Å; P515-Y692 HydrophobicContact CG-CD2 4.21Å; P515-Y692 HydrophobicContact CG-CE2 3.27Å; P515-Y692 VanDerWaalsContact CG-CZ 3.47Å; P515-Y692 WeakPolarHBondContact CG-OH 3.49Å; V533-Y692 HydrophobicContact CB-CD1 3.91Å; V533-Y692 HydrophobicContact CB-CE1 3.89Å; V533-Y692 HydrophobicContact CG1-CD1 3.72Å; V533-Y692 HydrophobicContact CG1-CE1 3.64Å; V533-Y692 HydrophobicContact CG2-CD1 3.34Å; V533-Y692 HydrophobicContact CG2-CE1 3.82Å; V533-Y692 HydrophobicContact CG2-CG 3.76Å; V664-Y692 PolarHBondContact O-N 3.31Å |
| 693 | S | 60.2 | Low | 85.1 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -106.6 | 129.4 | -178.3 | 81 | 0 | 0 | 0 | 0 | 114.5 | E691 A695 | E691-S693 VanDerWaalsContact C-N 3.27Å; E691-S693 PolarHBondContact O-N 2.82Å; S693-A695 PolarHBondContact O-N 2.93Å; S693-A695 VanDerWaalsContact O-N 3.09Å |
| 694 | E | 56.2 | Low | 85.1 | Confident | 193 Ų | 193 | 36.4 Ų | 36.4 | 90% | 0.902 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -54.6 | 109.7 | 152.3 | -66.7 | -176.3 | 170.3 | 0 | 0 | 108.9 | G696 | E694-G696 PolarHBondContact O-N 3.31Š|
| 695 | A | 60.5 | Low | 85.1 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 66% | 0.661 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 21 | 42.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | S693 | S693-A695 PolarHBondContact O-N 2.93Å; S693-A695 VanDerWaalsContact O-N 3.09Å |
| 696 | G | 69.6 | Low | 85.1 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | trans | -96.3 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E694 W698 C699 | E694-G696 PolarHBondContact O-N 3.31Å; G696-W698 PolarHBondContact O-N 3.25Å; G696-C699 PolarHBondContact O-N 2.63Å; G696-C699 VanDerWaalsContact O-N 3.14Å; G696-C699 PolarHBondContact O-SG 2.82Å | ||
| 697 | P | 76.9 | Confident | 85.1 | Confident | 80 Ų | 80 | 37.2 Ų | 37.2 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -23.8 | 178 | -25 | 34.1 | 0 | 0 | 0 | 114.1 | R701 L836 | P697-R701 PolarHBondContact O-NE 3.06Å; P697-L836 HydrophobicContact CB-CD2 3.95Å |
| 698 | W | 82.3 | Confident | 85 | Confident | 37 Ų | 37 | 37 Ų | 37 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -36.1 | -179.1 | -174.2 | 69.4 | 0 | 0 | 0 | 113.4 | V494 P690 G696 H700 R701 | V494-W698 HydrophobicContact CB-CZ2 4.47Å; V494-W698 HydrophobicContact CG2-CH2 3.79Å; V494-W698 HydrophobicContact CG2-CZ2 3.34Å; P690-W698 HydrophobicContact CB-CD2 3.78Å; P690-W698 HydrophobicContact CB-CE3 3.51Å; P690-W698 HydrophobicContact CB-CH2 3.34Å; P690-W698 HydrophobicContact CB-CZ2 3.57Å; P690-W698 HydrophobicContact CB-CZ3 3.32Å; P690-W698 HydrophobicContact CG-CD2 4.1Å; P690-W698 HydrophobicContact CG-CE3 4.32Å; P690-W698 HydrophobicContact CG-CH2 3.97Å; P690-W698 HydrophobicContact CG-CZ2 3.66Å; P690-W698 HydrophobicContact CG-CZ3 4.3Å; G696-W698 PolarHBondContact O-N 3.25Å; W698-H700 PolarHBondContact O-N 2.9Å; W698-H700 VanDerWaalsContact O-N 3.08Å; W698-R701 PolarHBondContact O-N 3.38Å; W698-R701 VanDerWaalsContact O-N 3.1Å |
| 699 | C | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.1 | -179.5 | 65 | 0 | 0 | 0 | 0 | 113.6 | N590 C592 Y593 G696 R701 | N590-C699 PolarHBondContact ND2-O 3.39Å; C592-C699 HydrophobicContact CB-CB 3.7Å; C592-C699 WeakPolarHBondContact CB-O 3.28Å; C592-C699 WeakPolarHBondContact CB-SG 3.49Å; C592-C699 PolarHBondContact N-SG 3.19Å; C592-C699 WeakPolarHBondContact SG-CB 3.48Å; C592-C699 CovalentContact SG-SG 2.03Å; C592-C699 PolarHBondContact SG-SG 3.34Å; Y593-C699 WeakPolarHBondContact CD2-O 3.38Å; Y593-C699 WeakPolarHBondContact CE2-O 3.21Å; G696-C699 PolarHBondContact O-N 2.63Å; G696-C699 VanDerWaalsContact O-N 3.14Å; G696-C699 PolarHBondContact O-SG 2.82Å; C699-R701 PolarHBondContact O-N 3.11Å |
| 700 | H | 91.3 | Very high | 84.5 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 11% | 0.111 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.4 | 176.8 | -73.7 | -84.2 | 0 | 0 | 0 | 114.2 | C592 Y593 Y609 W698 I826 L836 | C592-H700 PolarHBondContact SG-CD2 2.91Å; C592-H700 VanDerWaalsContact SG-CG 3.51Å; C592-H700 PolarHBondContact SG-N 3.3Å; C592-H700 PolarHBondContact SG-NE2 2.84Å; Y593-H700 VanDerWaalsContact CE2-C 3.48Å; Y593-H700 VanDerWaalsContact CE2-O 3.27Å; Y593-H700 WeakPolarHBondContact CE2-O 3.3Å; Y593-H700 WeakPolarHBondContact OH-CA 3.43Å; Y593-H700 PolarHBondContact OH-O 2.96Å; Y609-H700 AromaticContact CE2-CE1 3.43Å; Y609-H700 VanDerWaalsContact CE2-CE1 3.43Å; Y609-H700 WeakPolarHBondContact CE2-CE1 3.43Å; Y609-H700 AromaticContact CZ-CE1 3.84Å; W698-H700 PolarHBondContact O-N 2.9Å; W698-H700 VanDerWaalsContact O-N 3.08Å; H700-I826 HydrophobicContact CB-CG2 4.39Å; H700-L836 HydrophobicContact CB-CD1 3.81Å |
| 701 | R | 91.1 | Very high | 84.7 | Confident | 27 Ų | 27 | 39.5 Ų | 39.5 | 10% | 0.102 | 22% | 0.223 | C | C | . | . | trans | -104.9 | 109.5 | -169.5 | -55.2 | 172.8 | -170.8 | -179.9 | -5.2 | 110.2 | P690 P697 W698 C699 E843 | P690-R701 WeakPolarHBondContact CD-O 2.87Å; P690-R701 WeakPolarHBondContact CG-O 3.41Å; P697-R701 PolarHBondContact O-NE 3.06Å; W698-R701 PolarHBondContact O-N 3.38Å; W698-R701 VanDerWaalsContact O-N 3.1Å; C699-R701 PolarHBondContact O-N 3.11Å; R701-E843 IonicContact CZ-OE2 2.79Å; R701-E843 IonicContact NH1-OE2 3.72Å; R701-E843 PolarHBondContact NH1-OE2 2.92Å; R701-E843 VanDerWaalsContact NH2-CD 3.33Å; R701-E843 IonicContact NH2-OE1 3.69Å; R701-E843 PolarHBondContact NH2-OE1 2.67Å; R701-E843 IonicContact NH2-OE2 2.74Å; R701-E843 PolarHBondContact NH2-OE2 3Å | ||
| 702 | L | 95.7 | Very high | 85.2 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 105.9 | 170.9 | -57.4 | 178.1 | 0 | 0 | 0 | 107.8 | Y593 L595 V689 W824 M825 | Y593-L702 HydrophobicContact CD2-CD1 4.13Å; Y593-L702 HydrophobicContact CD2-CD2 3.91Å; Y593-L702 HydrophobicContact CD2-CG 4.05Å; Y593-L702 HydrophobicContact CE2-CD1 4.25Å; Y593-L702 HydrophobicContact CE2-CD2 4.24Å; Y593-L702 HydrophobicContact CE2-CG 3.98Å; L595-L702 HydrophobicContact CD1-CD1 4.01Å; L595-L702 HydrophobicContact CD1-CD2 4.28Å; L595-L702 HydrophobicContact CD2-CD1 3.95Å; V689-L702 HydrophobicContact CB-CD2 4.4Å; V689-L702 HydrophobicContact CG1-CD2 4.07Å; V689-L702 HydrophobicContact CG2-CD2 4.17Å; L702-W824 WeakPolarHBondContact O-CA 3.34Å; L702-M825 HydrophobicContact CB-CB 4.29Å; L702-M825 HydrophobicContact CD1-CE 3.49Å; L702-M825 VanDerWaalsContact CD1-CE 3.49Å; L702-M825 PolarHBondContact N-O 2.93Å; L702-M825 PolarHBondContact O-N 3.17Å |
| 703 | E | 96.4 | Very high | 86.7 | Confident | 30 Ų | 30 | 42 Ų | 42 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124.7 | 177.2 | 175.9 | 172.6 | 105.9 | 0 | 0 | 109.5 | T687 R688 T822 W824 R847 | T687-E703 CarbonylContact C-O 3.5Å; T687-E703 WeakPolarHBondContact CA-O 3.25Å; R688-E703 HydrophobicContact CB-CB 4.37Å; R688-E703 IonicContact CZ-OE1 3.94Å; R688-E703 PolarHBondContact N-O 3.49Å; R688-E703 IonicContact NH1-OE1 3.92Å; R688-E703 PolarHBondContact NH1-OE1 2.75Å; R688-E703 PolarHBondContact O-N 3.41Å; E703-T822 HydrophobicContact CG-CG2 3.82Å; E703-W824 PolarHBondContact OE2-NE1 3.4Å; E703-R847 IonicContact OE1-NH1 3.73Å; E703-R847 IonicContact OE2-CZ 2.77Å; E703-R847 IonicContact OE2-NH1 3.78Å; E703-R847 PolarHBondContact OE2-NH1 3.2Å; E703-R847 IonicContact OE2-NH2 2.74Å; E703-R847 PolarHBondContact OE2-NH2 3.14Å |
| 704 | Q | 97.9 | Very high | 88.3 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.7 | -180 | -57 | -172.7 | -60.6 | 0 | 0 | 109.5 | T686 T687 Y706 T822 L823 | T686-Q704 WeakPolarHBondContact O-CA 3.42Å; T687-Q704 HydrophobicContact CG2-CG 4.17Å; T687-Q704 PolarHBondContact OG1-NE2 3.37Å; Q704-Y706 HydrophobicContact CB-CE2 3.84Å; Q704-Y706 WeakPolarHBondContact CB-OH 3.37Å; Q704-Y706 WeakPolarHBondContact O-CE2 3.5Å; Q704-Y706 PolarHBondContact OE1-OH 2.98Å; Q704-T822 CarbonylContact O-C 3.15Å; Q704-T822 WeakPolarHBondContact O-CA 3.43Å; Q704-L823 PolarHBondContact N-O 2.83Å; Q704-L823 PolarHBondContact O-N 3.4Å |
| 705 | T | 97.3 | Very high | 90.2 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 18% | 0.184 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.2 | 170.8 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | T686 T822 | T686-T705 PolarHBondContact N-O 3.45Å; T686-T705 PolarHBondContact O-N 3.34Å; T705-T822 PolarHBondContact OG1-OG1 3.32Å |
| 706 | Y | 97.4 | Very high | 92 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 151.8 | 177.9 | -54.4 | -88.6 | 0 | 0 | 0 | 109.6 | Q620 F622 S684 I685 Q704 L719 L795 R820 P821 L823 | Q620-Y706 PolarHBondContact NE2-OH 3.24Å; F622-Y706 HydrophobicContact CE1-CD1 4.25Å; F622-Y706 AromaticContact CZ-CD1 3.91Å; F622-Y706 HydrophobicContact CZ-CD1 3.91Å; S684-Y706 WeakPolarHBondContact O-CA 3.33Å; I685-Y706 HydrophobicContact CB-CE1 4.45Å; I685-Y706 HydrophobicContact CD1-CE1 4.13Å; I685-Y706 HydrophobicContact CG1-CD1 3.85Å; I685-Y706 HydrophobicContact CG1-CE1 3.86Å; I685-Y706 HydrophobicContact CG2-CD1 4.41Å; I685-Y706 HydrophobicContact CG2-CE1 3.97Å; Q704-Y706 HydrophobicContact CB-CE2 3.84Å; Q704-Y706 WeakPolarHBondContact CB-OH 3.37Å; Q704-Y706 WeakPolarHBondContact O-CE2 3.5Å; Q704-Y706 PolarHBondContact OE1-OH 2.98Å; Y706-L719 HydrophobicContact CD1-CD1 4.11Å; Y706-L719 HydrophobicContact CD1-CD2 4.26Å; Y706-L719 HydrophobicContact CE1-CD1 3.52Å; Y706-L719 HydrophobicContact CE1-CD2 3.47Å; Y706-L719 VanDerWaalsContact CE1-CD2 3.47Å; Y706-L719 HydrophobicContact CE1-CG 4.11Å; Y706-L719 HydrophobicContact CE2-CD2 4.1Å; Y706-L719 WeakPolarHBondContact OH-CD2 3.27Å; Y706-L795 HydrophobicContact CD1-CD1 4.25Å; Y706-L795 HydrophobicContact CG-CD1 4.1Å; Y706-R820 WeakPolarHBondContact O-CA 3.24Å; Y706-P821 HydrophobicContact CD2-CG 4.38Å; Y706-P821 PolarHBondContact N-O 2.86Å; Y706-L823 HydrophobicContact CD2-CD1 4.48Å; Y706-L823 HydrophobicContact CD2-CG 4.28Å; Y706-L823 HydrophobicContact CE2-CB 3.84Å; Y706-L823 HydrophobicContact CE2-CD1 3.67Å; Y706-L823 HydrophobicContact CE2-CG 3.6Å |
| 707 | S | 96.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 124.9 | 166.1 | -170.9 | 0 | 0 | 0 | 0 | 108.1 | Y683 S684 V819 | Y683-S707 CarbonylContact C-O 3.59Å; Y683-S707 VanDerWaalsContact CA-O 3.27Å; Y683-S707 WeakPolarHBondContact CA-O 3.48Å; S684-S707 PolarHBondContact N-O 3.05Å; S684-S707 PolarHBondContact O-N 3.13Å; S684-S707 WeakPolarHBondContact OG-CB 3.35Å; S707-V819 WeakPolarHBondContact CA-O 3.42Å |
| 708 | L | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 138.1 | 178.8 | 59.6 | 158.8 | 0 | 0 | 0 | 111.5 | Y683 V717 L795 H796 V818 V819 P821 | Y683-L708 HydrophobicContact CD1-CB 3.64Å; Y683-L708 HydrophobicContact CE1-CB 4.29Å; L708-V717 HydrophobicContact CD1-CB 3.79Å; L708-V717 HydrophobicContact CD1-CG1 3.62Å; L708-V717 HydrophobicContact CD1-CG2 4.42Å; L708-L795 HydrophobicContact CD1-CB 3.73Å; L708-L795 HydrophobicContact CD1-CD1 4.42Å; L708-L795 HydrophobicContact CD2-CB 4.12Å; L708-L795 HydrophobicContact CD2-CD1 4.01Å; L708-H796 HydrophobicContact CD1-CB 3.57Å; L708-H796 HydrophobicContact CG-CB 4.18Å; L708-V818 WeakPolarHBondContact O-CA 3.38Å; L708-V819 HydrophobicContact CD1-CG2 4.29Å; L708-V819 HydrophobicContact CD2-CG2 3.56Å; L708-V819 HydrophobicContact CG-CG2 3.57Å; L708-V819 PolarHBondContact N-O 2.81Å; L708-V819 VanDerWaalsContact N-O 3.14Å; L708-V819 PolarHBondContact O-N 3.05Å; L708-P821 HydrophobicContact CD2-CG 4.39Å |
| 709 | G | 87.9 | Confident | 95.1 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | trans | 116.4 | 164.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V818 | G709-V818 WeakPolarHBondContact O-CG2 3.34Š| ||
| 710 | P | 94.3 | Very high | 95.6 | Very high | 76 Ų | 76 | 24.3 Ų | 24.3 | 49% | 0.494 | 13% | 0.126 | S | C | . | . | S | Bend | cis | -65 | 135.8 | -1.3 | -21.2 | 34 | 0 | 0 | 0 | 112.7 | S816 V818 | P710-S816 WeakPolarHBondContact CB-O 3.27Å; P710-V818 HydrophobicContact CG-CG2 4.39Å |
| 711 | L | 95.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 155.3 | 179.7 | -60.6 | -171.3 | 0 | 0 | 0 | 111.2 | Y683 V717 H796 R798 | Y683-L711 HydrophobicContact CE1-CD2 4.23Å; L711-V717 HydrophobicContact CD1-CG2 3.98Å; L711-V717 HydrophobicContact CD2-CG2 3.49Å; L711-V717 VanDerWaalsContact CD2-CG2 3.49Å; L711-V717 HydrophobicContact CG-CG2 4.37Å; L711-H796 HydrophobicContact CD1-CB 3.88Å; L711-R798 HydrophobicContact CB-CB 3.84Å; L711-R798 HydrophobicContact CD1-CB 4.2Å; L711-R798 VanDerWaalsContact O-CD 3.28Å; L711-R798 WeakPolarHBondContact O-CD 3.5Å; L711-R798 PolarHBondContact O-NH1 2.91Å |
| 712 | R | 94.9 | Very high | 96.3 | Very high | 119 Ų | 119 | 23.3 Ų | 23.3 | 45% | 0.449 | 13% | 0.126 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 153.5 | 163 | -70.8 | -179.9 | 177.8 | 168.2 | 2.1 | 108.6 | R674 E675 T715 | R674-R712 VanDerWaalsContact CD-NE 3.29Å; E675-R712 IonicContact OE1-NH2 3.62Å; E675-R712 PolarHBondContact OE1-NH2 2.87Å; E675-R712 VanDerWaalsContact OE1-NH2 3.14Å; R712-T715 WeakPolarHBondContact O-CB 3.42Å; R712-T715 PolarHBondContact O-OG1 2.97Å |
| 713 | L | 94.8 | Very high | 96.4 | Very high | 86 Ų | 86 | 24.1 Ų | 24.1 | 45% | 0.45 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 141.1 | 177.7 | -163 | 66.1 | 0 | 0 | 0 | 109.4 | R798 W800 | L713-R798 HydrophobicContact CD1-CG 4.24Å; L713-W800 HydrophobicContact CD1-CB 3.81Å; L713-W800 HydrophobicContact CD2-CB 3.86Å; L713-W800 HydrophobicContact CD2-CG 4.45Å; L713-W800 HydrophobicContact CG-CB 3.95Å |
| 714 | N | 95.1 | Very high | 96.4 | Very high | 42 Ų | 42 | 26 Ų | 26 | 23% | 0.225 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 43 | -177.3 | -62.8 | -22.3 | 0 | 0 | 0 | 113.6 | A627 R798 W800 | A627-N714 HydrophobicContact CB-CB 4.21Å; A627-N714 PolarHBondContact N-O 2.94Å; N714-R798 CarbonylContact C-O 3.5Å; N714-R798 WeakPolarHBondContact CA-O 3.49Å; N714-R798 PolarHBondContact N-O 3.43Å; N714-W800 PolarHBondContact ND2-O 3.49Å; N714-W800 PolarHBondContact OD1-N 2.97Å; N714-W800 PolarHBondContact OD1-O 2.96Å |
| 715 | T | 95.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.8 | 179.3 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | E624 R712 V717 R798 | E624-T715 HydrophobicContact CB-CG2 4.02Å; E624-T715 VanDerWaalsContact CD-CG2 3.45Å; E624-T715 HydrophobicContact CG-CG2 3.53Å; R712-T715 WeakPolarHBondContact O-CB 3.42Å; R712-T715 PolarHBondContact O-OG1 2.97Å; T715-V717 HydrophobicContact CG2-CG2 4.08Å; T715-R798 PolarHBondContact N-O 2.87Å; T715-R798 PolarHBondContact O-N 2.99Å |
| 716 | E | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 113.6 | 172.7 | -55.6 | -171.7 | -153.2 | 0 | 0 | 108.9 | E624 Y625 A627 S637 F642 M794 R797 L799 | E624-E716 WeakPolarHBondContact CA-O 3.42Å; Y625-E716 PolarHBondContact N-O 3.46Å; Y625-E716 PolarHBondContact O-N 2.8Å; A627-E716 HydrophobicContact CB-CG 4.34Å; S637-E716 PolarHBondContact OG-OE1 2.83Å; F642-E716 WeakPolarHBondContact CD2-OE2 3.4Å; F642-E716 VanDerWaalsContact CE2-OE2 3.32Å; F642-E716 WeakPolarHBondContact CE2-OE2 3.21Å; E716-M794 VanDerWaalsContact OE2-CE 3.31Å; E716-M794 WeakPolarHBondContact OE2-CE 3.44Å; E716-R797 HydrophobicContact CB-CG 4.24Å; E716-R797 VanDerWaalsContact CD-NH2 3.3Å; E716-R797 HydrophobicContact CG-CB 4.13Å; E716-R797 HydrophobicContact CG-CG 4.04Å; E716-R797 IonicContact OE1-CZ 3.91Å; E716-R797 IonicContact OE1-NE 3.26Å; E716-R797 IonicContact OE1-NH2 2.73Å; E716-R797 PolarHBondContact OE1-NH2 3.42Å; E716-R797 IonicContact OE2-CZ 3.78Å; E716-R797 IonicContact OE2-NE 2.63Å; E716-R797 PolarHBondContact OE2-NE 2.8Å; E716-R797 IonicContact OE2-NH2 3.55Å; E716-R797 PolarHBondContact OE2-NH2 2.78Å; E716-L799 HydrophobicContact CG-CD2 3.86Å |
| 717 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131 | -174.5 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | F622 W623 E624 Y683 L708 L711 T715 L795 H796 | F622-V717 HydrophobicContact CD1-CG1 3.91Å; W623-V717 WeakPolarHBondContact O-CA 3.31Å; E624-V717 HydrophobicContact CG-CG2 3.81Å; Y683-V717 HydrophobicContact CD1-CG1 4.45Å; Y683-V717 HydrophobicContact CE1-CG1 4.31Å; Y683-V717 HydrophobicContact CE1-CG2 4.03Å; L708-V717 HydrophobicContact CD1-CB 3.79Å; L708-V717 HydrophobicContact CD1-CG1 3.62Å; L708-V717 HydrophobicContact CD1-CG2 4.42Å; L711-V717 HydrophobicContact CD1-CG2 3.98Å; L711-V717 HydrophobicContact CD2-CG2 3.49Å; L711-V717 VanDerWaalsContact CD2-CG2 3.49Å; L711-V717 HydrophobicContact CG-CG2 4.37Å; T715-V717 HydrophobicContact CG2-CG2 4.08Å; V717-L795 PolarHBondContact O-N 2.72Å; V717-H796 PolarHBondContact N-O 2.62Å; V717-H796 PolarHBondContact O-N 2.88Å |
| 718 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143.2 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 111 | W623 Y625 E792 V793 M794 | W623-V718 HydrophobicContact CB-CG2 3.67Å; W623-V718 PolarHBondContact N-O 2.63Å; W623-V718 PolarHBondContact O-N 2.87Å; Y625-V718 HydrophobicContact CD2-CG1 3.91Å; Y625-V718 HydrophobicContact CE2-CG1 3.74Å; Y625-V718 HydrophobicContact CE2-CG2 4.11Å; V718-E792 HydrophobicContact CB-CG 3.59Å; V718-E792 HydrophobicContact CG1-CG 4.18Å; V718-E792 HydrophobicContact CG2-CG 3.7Å; V718-E792 VanDerWaalsContact CG2-OE2 3.22Å; V718-E792 WeakPolarHBondContact CG2-OE2 3.42Å; V718-V793 CarbonylContact C-O 3.51Å; V718-V793 VanDerWaalsContact CA-O 3.26Å; V718-V793 WeakPolarHBondContact CA-O 3.45Å; V718-M794 HydrophobicContact CG1-CB 4.09Å; V718-M794 HydrophobicContact CG1-CG 4.22Å |
| 719 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.8 | 166.6 | 177.8 | 71.5 | 0 | 0 | 0 | 108.2 | Q620 F622 I685 Y706 E792 V793 L795 L823 | Q620-L719 HydrophobicContact CG-CD1 3.55Å; Q620-L719 HydrophobicContact CG-CG 4.09Å; F622-L719 HydrophobicContact CE1-CD1 4.48Å; I685-L719 HydrophobicContact CD1-CD1 4.31Å; Y706-L719 HydrophobicContact CD1-CD1 4.11Å; Y706-L719 HydrophobicContact CD1-CD2 4.26Å; Y706-L719 HydrophobicContact CE1-CD1 3.52Å; Y706-L719 HydrophobicContact CE1-CD2 3.47Å; Y706-L719 VanDerWaalsContact CE1-CD2 3.47Å; Y706-L719 HydrophobicContact CE1-CG 4.11Å; Y706-L719 HydrophobicContact CE2-CD2 4.1Å; Y706-L719 WeakPolarHBondContact OH-CD2 3.27Å; L719-E792 CarbonylContact O-C 3.54Å; L719-E792 VanDerWaalsContact O-CA 3.31Å; L719-E792 WeakPolarHBondContact O-CA 3.44Å; L719-V793 HydrophobicContact CB-CB 4.48Å; L719-V793 PolarHBondContact N-O 2.91Å; L719-V793 PolarHBondContact O-N 2.83Å; L719-L795 HydrophobicContact CB-CD1 3.72Å; L719-L795 HydrophobicContact CB-CG 3.99Å; L719-L795 HydrophobicContact CD2-CD1 4.47Å; L719-L823 HydrophobicContact CD2-CD1 3.76Å |
| 720 | R | 98.4 | Very high | 97 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.4 | 178.2 | -173 | 175 | -68.5 | 172 | -5.3 | 110.3 | Q620 D621 W623 E792 | Q620-R720 WeakPolarHBondContact CA-O 3.36Å; D621-R720 PolarHBondContact N-O 2.73Å; D621-R720 PolarHBondContact O-N 2.93Å; W623-R720 VanDerWaalsContact CD1-CB 3.5Å; W623-R720 HydrophobicContact CG-CB 4.36Å; R720-E792 IonicContact CZ-OE2 2.77Å; R720-E792 IonicContact NE-OE2 3.5Å; R720-E792 PolarHBondContact NE-OE2 2.98Å; R720-E792 IonicContact NH2-OE1 3.34Å; R720-E792 IonicContact NH2-OE2 3.79Å; R720-E792 PolarHBondContact NH2-OE2 3.1Å |
| 721 | T | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 110.2 | 166.9 | -54.6 | 0 | 0 | 0 | 0 | 108.5 | T619 Q620 L773 Q790 L791 | T619-T721 CarbonylContact O-C 3.55Å; T619-T721 WeakPolarHBondContact O-CA 3.42Å; Q620-T721 PolarHBondContact NE2-OG1 2.82Å; T721-L773 HydrophobicContact CG2-CD2 3.59Å; T721-Q790 WeakPolarHBondContact O-CA 3.42Å; T721-L791 PolarHBondContact N-O 2.89Å; T721-L791 PolarHBondContact O-N 3.12Å |
| 722 | S | 98.2 | Very high | 97.4 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127 | 174.6 | -59.5 | 0 | 0 | 0 | 0 | 109 | M618 T619 Q790 | M618-S722 CarbonylContact C-O 3.51Å; M618-S722 WeakPolarHBondContact CA-O 3.4Å; T619-S722 PolarHBondContact N-O 3.3Å; T619-S722 PolarHBondContact O-N 2.91Å; S722-Q790 PolarHBondContact OG-NE2 2.82Å |
| 723 | S | 98 | Very high | 97.5 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 167.6 | -175.9 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | M617 L725 G789 | M617-S723 CarbonylContact O-C 3.53Å; M617-S723 WeakPolarHBondContact O-CA 3.4Å; S723-L725 PolarHBondContact O-N 3.37Å; S723-L725 WeakPolarHBondContact OG-CB 3.41Å; S723-L725 PolarHBondContact OG-N 3.16Å; S723-G789 WeakPolarHBondContact CB-O 3.45Å; S723-G789 PolarHBondContact N-O 2.76Å; S723-G789 PolarHBondContact OG-O 3.41Å |
| 724 | S | 97.5 | Very high | 97.7 | Very high | 68 Ų | 68 | 27.2 Ų | 27.2 | 48% | 0.476 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -86.1 | 15.7 | 171.2 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | M617 | M617-S724 PolarHBondContact N-OG 3.34Å; M617-S724 VanDerWaalsContact N-OG 3.13Å; M617-S724 PolarHBondContact O-N 3.39Å |
| 725 | L | 97.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | -74 | 133.2 | 174.7 | -64.6 | 173.4 | 0 | 0 | 0 | 109.4 | I616 S723 N727 I766 D768 L773 G789 | I616-L725 HydrophobicContact CD1-CD2 3.71Å; I616-L725 HydrophobicContact CG1-CD2 4.25Å; I616-L725 HydrophobicContact CG2-CD2 4.41Å; I616-L725 HydrophobicContact CG2-CG 4.22Å; S723-L725 PolarHBondContact O-N 3.37Å; S723-L725 WeakPolarHBondContact OG-CB 3.41Å; S723-L725 PolarHBondContact OG-N 3.16Å; L725-N727 PolarHBondContact O-N 3.08Å; L725-I766 HydrophobicContact CD1-CD1 4.17Å; L725-I766 HydrophobicContact CD1-CG1 4.03Å; L725-D768 VanDerWaalsContact CD2-OD2 3.24Å; L725-D768 WeakPolarHBondContact CD2-OD2 3.44Å; L725-L773 HydrophobicContact CD1-CB 3.7Å; L725-G789 WeakPolarHBondContact O-CA 3.47Å; L725-G789 PolarHBondContact O-N 2.91Å | ||
| 726 | D | 97.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 25.1 Ų | 25.1 | 57% | 0.572 | 13% | 0.134 | S | C | * | . | trans | -89 | 92.5 | 170.2 | -177.9 | -0.6 | 0 | 0 | 0 | 108.4 | D768 | D726-D768 VanDerWaalsContact O-CA 3.31Å; D726-D768 WeakPolarHBondContact O-CA 3.44Å; D726-D768 VanDerWaalsContact O-CB 3.29Å; D726-D768 WeakPolarHBondContact O-CB 3.38Å | ||
| 727 | N | 97.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | trans | -102.2 | 0.9 | -179.2 | 76.5 | -50.5 | 0 | 0 | 0 | 112.4 | L725 R729 T730 I766 Q767 S785 D788 G789 | L725-N727 PolarHBondContact O-N 3.08Å; N727-R729 PolarHBondContact O-N 3.45Å; N727-R729 VanDerWaalsContact O-N 3.12Å; N727-T730 PolarHBondContact ND2-N 2.9Å; N727-T730 PolarHBondContact ND2-O 3.39Å; N727-T730 WeakPolarHBondContact O-CA 3.39Å; N727-T730 WeakPolarHBondContact O-CB 3.47Å; N727-T730 PolarHBondContact O-N 2.93Å; N727-T730 PolarHBondContact O-OG1 3.45Å; N727-I766 HydrophobicContact CB-CB 4.08Å; N727-I766 WeakPolarHBondContact ND2-CG2 3.31Å; N727-Q767 VanDerWaalsContact CA-O 3.32Å; N727-Q767 WeakPolarHBondContact CA-O 3.35Å; N727-Q767 VanDerWaalsContact CB-O 3.27Å; N727-Q767 WeakPolarHBondContact CB-O 3.47Å; N727-S785 PolarHBondContact ND2-OG 3.23Å; N727-D788 PolarHBondContact N-OD1 2.98Å; N727-D788 PolarHBondContact OD1-OD1 3.01Å; N727-G789 PolarHBondContact OD1-N 3.41Å | ||
| 728 | N | 96.7 | Very high | 97.8 | Very high | 128 Ų | 128 | 25.4 Ų | 25.4 | 68% | 0.684 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 41.7 | -173.1 | -169.8 | 21.4 | 0 | 0 | 0 | 112.2 | T730 D788 | N728-T730 PolarHBondContact O-N 3.36Å; N728-T730 VanDerWaalsContact O-N 3.07Å; N728-D788 WeakPolarHBondContact CA-OD1 3.2Å; N728-D788 PolarHBondContact N-OD1 3.34Å |
| 729 | R | 96.8 | Very high | 97.7 | Very high | 75 Ų | 75 | 25.5 Ų | 25.5 | 28% | 0.283 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 25.8 | -175.5 | -52.3 | 174.1 | 74.3 | -172.6 | 9.8 | 114.2 | N727 Y745 P786 D788 | N727-R729 PolarHBondContact O-N 3.45Å; N727-R729 VanDerWaalsContact O-N 3.12Å; R729-Y745 HydrophobicContact CB-CG 4.37Å; R729-Y745 VanDerWaalsContact CZ-CD1 3.42Å; R729-Y745 PolarHBondContact NH2-OH 2.82Å; R729-Y745 PolarHBondContact O-N 2.86Å; R729-P786 VanDerWaalsContact CZ-O 3.28Å; R729-P786 PolarHBondContact NE-O 2.81Å; R729-P786 VanDerWaalsContact NE-O 3.17Å; R729-P786 PolarHBondContact NH2-O 2.82Å; R729-D788 HydrophobicContact CG-CB 4.37Å |
| 730 | T | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 10% | 0.104 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.8 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | N727 N728 Y732 K742 R743 T744 | N727-T730 PolarHBondContact ND2-N 2.9Å; N727-T730 PolarHBondContact ND2-O 3.39Å; N727-T730 WeakPolarHBondContact O-CA 3.39Å; N727-T730 WeakPolarHBondContact O-CB 3.47Å; N727-T730 PolarHBondContact O-N 2.93Å; N727-T730 PolarHBondContact O-OG1 3.45Å; N728-T730 PolarHBondContact O-N 3.36Å; N728-T730 VanDerWaalsContact O-N 3.07Å; T730-Y732 HydrophobicContact CG2-CD2 4.38Å; T730-Y732 HydrophobicContact CG2-CE2 3.77Å; T730-K742 HydrophobicContact CG2-CD 4.45Å; T730-K742 HydrophobicContact CG2-CG 3.83Å; T730-R743 WeakPolarHBondContact CA-O 3.44Å; T730-T744 HydrophobicContact CG2-CG2 4.33Å |
| 731 | L | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 149.2 | 172.9 | 169 | 71.7 | 0 | 0 | 0 | 109.2 | R743 F758 A764 I766 V783 L791 | L731-R743 HydrophobicContact CB-CB 4.07Å; L731-R743 HydrophobicContact CD2-CB 4.45Å; L731-R743 HydrophobicContact CD2-CG 4.42Å; L731-R743 HydrophobicContact CG-CB 4.42Å; L731-R743 HydrophobicContact CG-CG 4.49Å; L731-R743 PolarHBondContact N-O 2.82Å; L731-R743 WeakPolarHBondContact O-CA 3.44Å; L731-R743 WeakPolarHBondContact O-CB 3.34Å; L731-R743 PolarHBondContact O-N 2.8Å; L731-F758 HydrophobicContact CD2-CD2 4.29Å; L731-A764 HydrophobicContact CD1-CB 4.25Å; L731-I766 HydrophobicContact CD1-CG2 4.45Å; L731-V783 HydrophobicContact CD2-CB 4.39Å; L731-V783 HydrophobicContact CD2-CG2 3.87Å; L731-L791 HydrophobicContact CD1-CD1 3.51Å |
| 732 | Y | 98.6 | Very high | 97.6 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 18% | 0.176 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.1 | 162.7 | -63.9 | -103.5 | 0 | 0 | 0 | 107.9 | T730 M741 K742 A764 Y765 Q767 | T730-Y732 HydrophobicContact CG2-CD2 4.38Å; T730-Y732 HydrophobicContact CG2-CE2 3.77Å; Y732-M741 VanDerWaalsContact CA-O 3.31Å; Y732-M741 WeakPolarHBondContact CA-O 3.4Å; Y732-K742 HydrophobicContact CD1-CB 4.14Å; Y732-K742 HydrophobicContact CD1-CG 4.41Å; Y732-K742 HydrophobicContact CE1-CB 3.83Å; Y732-K742 HydrophobicContact CE1-CD 4.24Å; Y732-K742 HydrophobicContact CE1-CG 3.81Å; Y732-A764 CarbonylContact O-C 3.57Å; Y732-A764 WeakPolarHBondContact O-CA 3.42Å; Y732-Y765 AromaticContact CD1-CE2 3.83Å; Y732-Y765 HydrophobicContact CD1-CE2 3.83Å; Y732-Y765 AromaticContact CD1-CZ 3.78Å; Y732-Y765 WeakPolarHBondContact CD1-OH 3.4Å; Y732-Y765 AromaticContact CD2-CD2 3.72Å; Y732-Y765 HydrophobicContact CD2-CD2 3.72Å; Y732-Y765 AromaticContact CD2-CE2 3.3Å; Y732-Y765 HydrophobicContact CD2-CE2 3.3Å; Y732-Y765 HydrophobicContact CE1-CE2 4.42Å; Y732-Y765 HydrophobicContact CE2-CE2 4.01Å; Y732-Y765 AromaticContact CG-CD2 3.85Å; Y732-Y765 HydrophobicContact CG-CD2 3.85Å; Y732-Y765 HydrophobicContact CG-CE1 4.35Å; Y732-Y765 AromaticContact CG-CE2 3.2Å; Y732-Y765 HydrophobicContact CG-CE2 3.2Å; Y732-Y765 AromaticContact CG-CZ 3.5Å; Y732-Y765 VanDerWaalsContact CG-CZ 3.5Å; Y732-Y765 PolarHBondContact N-O 3.5Å; Y732-Y765 PolarHBondContact O-N 2.79Å; Y732-Q767 HydrophobicContact CD2-CG 4.49Å; Y732-Q767 HydrophobicContact CE2-CG 3.97Å |
| 733 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145.8 | 177.5 | 75.3 | 0 | 0 | 0 | 0 | 109.8 | M741 R743 P759 | S733-M741 PolarHBondContact N-O 3.17Å; S733-M741 VanDerWaalsContact N-O 3.13Å; S733-M741 WeakPolarHBondContact O-CB 3.25Å; S733-M741 PolarHBondContact O-N 3.17Å; S733-R743 PolarHBondContact OG-NE 2.7Å; S733-P759 VanDerWaalsContact CB-O 3.29Å; S733-P759 WeakPolarHBondContact CB-O 3.21Å; S733-P759 PolarHBondContact OG-O 3Å |
| 734 | D | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 153 | -179.4 | 70.1 | -69.2 | 0 | 0 | 0 | 112.6 | G737 Q739 M740 V761 R762 T763 | D734-G737 WeakPolarHBondContact OD2-CA 3.1Å; D734-G737 PolarHBondContact OD2-N 3.23Å; D734-Q739 CarbonylContact C-O 3.59Å; D734-Q739 WeakPolarHBondContact CA-O 3.13Å; D734-M740 HydrophobicContact CB-CE 4.39Å; D734-M740 HydrophobicContact CB-SD 3.83Å; D734-V761 PolarHBondContact OD1-N 3.35Å; D734-V761 WeakPolarHBondContact OD2-CB 3.45Å; D734-V761 PolarHBondContact OD2-N 2.87Å; D734-R762 VanDerWaalsContact CG-N 3.32Å; D734-R762 PolarHBondContact OD1-N 3.43Å; D734-R762 PolarHBondContact OD2-N 3.37Å; D734-T763 PolarHBondContact N-O 2.86Å; D734-T763 PolarHBondContact OD1-N 2.79Å |
| 735 | D | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 102.2 | 172.2 | -164.9 | 29.4 | 0 | 0 | 0 | 108.1 | S154 A155 A156 G737 Y738 Q739 M741 | S154-D735 WeakPolarHBondContact CB-OD1 3.44Å; S154-D735 VanDerWaalsContact OG-CG 3.29Å; S154-D735 PolarHBondContact OG-OD1 3.01Å; S154-D735 PolarHBondContact OG-OD2 2.89Å; A155-D735 VanDerWaalsContact CA-OD2 3.3Å; A155-D735 WeakPolarHBondContact CA-OD2 3.26Å; A155-D735 VanDerWaalsContact CB-OD2 3.31Å; A155-D735 WeakPolarHBondContact CB-OD2 3.11Å; A155-D735 PolarHBondContact N-OD2 2.88Å; A156-D735 PolarHBondContact N-OD2 2.7Å; D735-G737 PolarHBondContact O-N 2.84Å; D735-G737 VanDerWaalsContact O-N 3.08Å; D735-Y738 WeakPolarHBondContact O-CB 3.33Å; D735-Y738 PolarHBondContact O-N 3.24Å; D735-Q739 HydrophobicContact CB-CG 4.16Å; D735-Q739 PolarHBondContact N-O 2.85Å; D735-M741 HydrophobicContact CB-CG 3.77Å; D735-M741 HydrophobicContact CB-SD 4.36Å |
| 736 | N | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 27.1 | -175.6 | -48.8 | 94.9 | 0 | 0 | 0 | 115.5 | E115 T118 L120 E123 S154 A156 Y738 | E115-N736 PolarHBondContact O-ND2 3.04Å; E115-N736 PolarHBondContact O-OD1 2.79Å; T118-N736 WeakPolarHBondContact O-CA 3.34Å; T118-N736 WeakPolarHBondContact O-CB 3.34Å; T118-N736 PolarHBondContact O-ND2 2.73Å; T118-N736 PolarHBondContact OG1-ND2 2.72Å; L120-N736 WeakPolarHBondContact CB-O 3.43Å; L120-N736 PolarHBondContact N-O 3.37Å; E123-N736 PolarHBondContact OE1-ND2 2.85Å; S154-N736 WeakPolarHBondContact CB-OD1 3.15Å; S154-N736 PolarHBondContact OG-OD1 2.94Å; A156-N736 HydrophobicContact CB-CB 4.43Å; N736-Y738 PolarHBondContact O-N 2.8Å |
| 737 | G | 96.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 9.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D734 D735 | D734-G737 WeakPolarHBondContact OD2-CA 3.1Å; D734-G737 PolarHBondContact OD2-N 3.23Å; D735-G737 PolarHBondContact O-N 2.84Å; D735-G737 VanDerWaalsContact O-N 3.08Å |
| 738 | Y | 96.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -57.1 | -177.6 | -178.1 | -121.9 | 0 | 0 | 0 | 113.1 | L120 A156 V159 L198 D735 N736 M923 K1000 I1002 | L120-Y738 HydrophobicContact CD1-CD2 4.29Å; L120-Y738 HydrophobicContact CD1-CG 4.39Å; L120-Y738 HydrophobicContact CD2-CD2 3.7Å; L120-Y738 HydrophobicContact CD2-CG 4.35Å; A156-Y738 HydrophobicContact CB-CD1 3.84Å; A156-Y738 HydrophobicContact CB-CG 4.22Å; V159-Y738 HydrophobicContact CG1-CE1 4.37Å; L198-Y738 WeakPolarHBondContact CD1-OH 3.32Å; D735-Y738 WeakPolarHBondContact O-CB 3.33Å; D735-Y738 PolarHBondContact O-N 3.24Å; N736-Y738 PolarHBondContact O-N 2.8Å; Y738-M923 HydrophobicContact CD2-CE 3.53Å; Y738-M923 HydrophobicContact CD2-SD 4.44Å; Y738-M923 HydrophobicContact CE2-CE 3.83Å; Y738-K1000 HydrophobicContact CE2-CB 4.08Å; Y738-K1000 HydrophobicContact CE2-CD 4.22Å; Y738-K1000 WeakPolarHBondContact CE2-O 3.45Å; Y738-K1000 WeakPolarHBondContact O-CD 3.42Å; Y738-K1000 WeakPolarHBondContact O-CE 3.43Å; Y738-K1000 PolarHBondContact O-NZ 3.1Å; Y738-K1000 WeakPolarHBondContact OH-CB 3.22Å; Y738-K1000 PolarHBondContact OH-O 2.99Å; Y738-I1002 HydrophobicContact CE2-CD1 4.25Å |
| 739 | Q | 95.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 160.6 | -176.8 | 65.7 | -174.5 | 37.5 | 0 | 0 | 112 | G194 D734 D735 M741 | G194-Q739 PolarHBondContact O-NE2 3.13Å; G194-Q739 PolarHBondContact O-OE1 3.39Å; D734-Q739 CarbonylContact C-O 3.59Å; D734-Q739 WeakPolarHBondContact CA-O 3.13Å; D735-Q739 HydrophobicContact CB-CG 4.16Å; D735-Q739 PolarHBondContact N-O 2.85Å; Q739-M741 HydrophobicContact CG-SD 4.38Å |
| 740 | M | 97.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.7 | -178.3 | -65 | -54.9 | -50.3 | 0 | 0 | 112.1 | D734 T763 Y765 Y837 E927 | D734-M740 HydrophobicContact CB-CE 4.39Å; D734-M740 HydrophobicContact CB-SD 3.83Å; M740-T763 HydrophobicContact CE-CG2 4.37Å; M740-T763 HydrophobicContact SD-CG2 4.24Å; M740-Y765 HydrophobicContact CE-CD1 3.91Å; M740-Y765 HydrophobicContact CE-CE1 3.66Å; M740-Y765 HydrophobicContact CG-CE1 4.11Å; M740-Y765 HydrophobicContact SD-CE1 4.3Å; M740-Y837 HydrophobicContact CG-CE2 4.15Å; M740-Y837 WeakPolarHBondContact CG-OH 3.23Å; M740-Y837 HydrophobicContact SD-CE2 4.15Å; M740-E927 PolarHBondContact N-OE1 2.79Å |
| 741 | M | 97.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.9 | -179.9 | -59.7 | -58.6 | -76.3 | 0 | 0 | 110.8 | S342 D344 Y732 S733 D735 Q739 R743 | S342-M741 VanDerWaalsContact O-CE 3.23Å; S342-M741 WeakPolarHBondContact O-CE 3.37Å; D344-M741 HydrophobicContact CB-CE 4.01Å; Y732-M741 VanDerWaalsContact CA-O 3.31Å; Y732-M741 WeakPolarHBondContact CA-O 3.4Å; S733-M741 PolarHBondContact N-O 3.17Å; S733-M741 VanDerWaalsContact N-O 3.13Å; S733-M741 WeakPolarHBondContact O-CB 3.25Å; S733-M741 PolarHBondContact O-N 3.17Å; D735-M741 HydrophobicContact CB-CG 3.77Å; D735-M741 HydrophobicContact CB-SD 4.36Å; Q739-M741 HydrophobicContact CG-SD 4.38Å; M741-R743 VanDerWaalsContact CB-NE 3.32Å; M741-R743 VanDerWaalsContact CB-NH2 3.35Å; M741-R743 PolarHBondContact O-N 2.61Å |
| 742 | K | 97.6 | Very high | 96 | Very high | 134 Ų | 134 | 46 Ų | 46 | 58% | 0.583 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 112.9 | 173.5 | -174.3 | 179.1 | -177.3 | 178 | 0 | 110.2 | T730 Y732 | T730-K742 HydrophobicContact CG2-CD 4.45Å; T730-K742 HydrophobicContact CG2-CG 3.83Å; Y732-K742 HydrophobicContact CD1-CB 4.14Å; Y732-K742 HydrophobicContact CD1-CG 4.41Å; Y732-K742 HydrophobicContact CE1-CB 3.83Å; Y732-K742 HydrophobicContact CE1-CD 4.24Å; Y732-K742 HydrophobicContact CE1-CG 3.81Å |
| 743 | R | 97.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 46.2 Ų | 46.2 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 101.9 | -179.4 | -48 | -55.4 | -170.3 | 171.6 | -2.9 | 109.9 | D344 T730 L731 S733 M741 F758 | D344-R743 IonicContact OD1-CZ 3.29Å; D344-R743 IonicContact OD1-NH1 3.51Å; D344-R743 PolarHBondContact OD1-NH1 3.27Å; D344-R743 IonicContact OD1-NH2 3.67Å; D344-R743 IonicContact OD2-CZ 2.7Å; D344-R743 IonicContact OD2-NH1 3.68Å; D344-R743 PolarHBondContact OD2-NH1 2.89Å; D344-R743 IonicContact OD2-NH2 3.09Å; D344-R743 PolarHBondContact OD2-NH2 2.83Å; T730-R743 WeakPolarHBondContact CA-O 3.44Å; L731-R743 HydrophobicContact CB-CB 4.07Å; L731-R743 HydrophobicContact CD2-CB 4.45Å; L731-R743 HydrophobicContact CD2-CG 4.42Å; L731-R743 HydrophobicContact CG-CB 4.42Å; L731-R743 HydrophobicContact CG-CG 4.49Å; L731-R743 PolarHBondContact N-O 2.82Å; L731-R743 WeakPolarHBondContact O-CA 3.44Å; L731-R743 WeakPolarHBondContact O-CB 3.34Å; L731-R743 PolarHBondContact O-N 2.8Å; S733-R743 PolarHBondContact OG-NE 2.7Å; M741-R743 VanDerWaalsContact CB-NE 3.32Å; M741-R743 VanDerWaalsContact CB-NH2 3.35Å; M741-R743 PolarHBondContact O-N 2.61Å; R743-F758 HydrophobicContact CB-CD2 3.91Å; R743-F758 HydrophobicContact CB-CE2 3.74Å; R743-F758 HydrophobicContact CB-CG 4.43Å; R743-F758 HydrophobicContact CB-CZ 4.11Å; R743-F758 HydrophobicContact CG-CB 4.42Å; R743-F758 HydrophobicContact CG-CD1 4.04Å; R743-F758 HydrophobicContact CG-CD2 3.79Å; R743-F758 HydrophobicContact CG-CE1 4.22Å; R743-F758 HydrophobicContact CG-CE2 4.01Å; R743-F758 HydrophobicContact CG-CG 3.81Å; R743-F758 HydrophobicContact CG-CZ 4.22Å; R743-F758 VanDerWaalsContact CZ-CD1 3.44Å; R743-F758 VanDerWaalsContact NE-CD1 3.32Å |
| 744 | T | 96.9 | Very high | 95.7 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 135.2 | 173.1 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | T730 K746 | T730-T744 HydrophobicContact CG2-CG2 4.33Å; T744-K746 PolarHBondContact O-N 2.99Å |
| 745 | Y | 97.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 27% | 0.271 | 23% | 0.228 | S | C | . | . | trans | -60.3 | 129.9 | 176.5 | -176.1 | -86 | 0 | 0 | 0 | 111 | R729 T752 N756 | R729-Y745 HydrophobicContact CB-CG 4.37Å; R729-Y745 VanDerWaalsContact CZ-CD1 3.42Å; R729-Y745 PolarHBondContact NH2-OH 2.82Å; R729-Y745 PolarHBondContact O-N 2.86Å; Y745-T752 HydrophobicContact CE1-CG2 4.17Å; Y745-T752 HydrophobicContact CE2-CG2 4.41Å; Y745-T752 WeakPolarHBondContact OH-CG2 3.31Å; Y745-N756 WeakPolarHBondContact CA-OD1 3.33Å; Y745-N756 HydrophobicContact CD2-CB 4Å; Y745-N756 HydrophobicContact CE2-CB 3.98Å | ||
| 746 | K | 96.1 | Very high | 95.6 | Very high | 121 Ų | 121 | 46.8 Ų | 46.8 | 53% | 0.526 | 23% | 0.229 | S | C | . | . | trans | -118.9 | 133.9 | 178.3 | -69.2 | 176.6 | -174.1 | 175.6 | 0 | 110.5 | T744 F748 N756 | T744-K746 PolarHBondContact O-N 2.99Å; K746-F748 HydrophobicContact CB-CD2 4.27Å; K746-F748 HydrophobicContact CB-CE1 4.41Å; K746-F748 HydrophobicContact CB-CE2 3.6Å; K746-F748 HydrophobicContact CB-CZ 3.7Å; K746-F748 HydrophobicContact CD-CZ 4.07Å; K746-F748 WeakPolarHBondContact O-CD2 3.35Å; K746-N756 PolarHBondContact N-OD1 2.93Å; K746-N756 PolarHBondContact O-ND2 3.34Å | ||
| 747 | K | 95.2 | Very high | 95.6 | Very high | 190 Ų | 190 | 46.7 Ų | 46.7 | 83% | 0.826 | 23% | 0.229 | S | C | * | . | trans | -84.1 | 124.1 | 168.8 | -170.1 | 176.9 | -178.1 | -179.1 | 0 | 108.5 | ||||
| 748 | F | 92.9 | Very high | 95.7 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 20% | 0.197 | 23% | 0.23 | C | C | . | . | trans | -109 | 154.1 | 176.2 | -62.9 | -83.1 | 0 | 0 | 0 | 109.9 | K746 N750 T752 R755 | K746-F748 HydrophobicContact CB-CD2 4.27Å; K746-F748 HydrophobicContact CB-CE1 4.41Å; K746-F748 HydrophobicContact CB-CE2 3.6Å; K746-F748 HydrophobicContact CB-CZ 3.7Å; K746-F748 HydrophobicContact CD-CZ 4.07Å; K746-F748 WeakPolarHBondContact O-CD2 3.35Å; F748-N750 WeakPolarHBondContact CB-O 3.17Å; F748-N750 PolarHBondContact O-N 3.41Å; F748-T752 PolarHBondContact N-OG1 3.19Å; F748-T752 PolarHBondContact O-OG1 3.22Å; F748-R755 HydrophobicContact CD2-CB 3.59Å; F748-R755 HydrophobicContact CD2-CG 4.47Å; F748-R755 VanDerWaalsContact CE1-CZ 3.41Å; F748-R755 HydrophobicContact CE2-CB 3.49Å; F748-R755 VanDerWaalsContact CE2-CB 3.49Å; F748-R755 HydrophobicContact CG-CB 4.26Å; F748-R755 HydrophobicContact CZ-CB 4.09Å | ||
| 749 | T | 91.7 | Very high | 95.8 | Very high | 136 Ų | 136 | 47.3 Ų | 47.3 | 83% | 0.834 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -58.8 | -42.6 | 174.1 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 750 | N | 91.4 | Very high | 95.9 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -128.2 | 148.7 | -178.5 | -63.7 | -46.7 | 0 | 0 | 0 | 110.7 | P352 Y353 F748 T752 | P352-N750 HydrophobicContact CB-CB 3.88Å; P352-N750 VanDerWaalsContact O-CB 3.25Å; P352-N750 WeakPolarHBondContact O-CB 3.35Å; Y353-N750 HydrophobicContact CD1-CB 4.03Å; Y353-N750 HydrophobicContact CE1-CB 3.61Å; Y353-N750 WeakPolarHBondContact CE1-OD1 3.33Å; Y353-N750 VanDerWaalsContact CZ-CG 3.5Å; Y353-N750 VanDerWaalsContact CZ-OD1 3.27Å; Y353-N750 PolarHBondContact OH-OD1 3.2Å; F748-N750 WeakPolarHBondContact CB-O 3.17Å; F748-N750 PolarHBondContact O-N 3.41Å; N750-T752 VanDerWaalsContact C-N 3.32Å; N750-T752 PolarHBondContact O-N 3.17Å |
| 751 | N | 90.9 | Very high | 96 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | trans | 50.2 | 43.7 | 174.9 | -154.8 | -3.7 | 0 | 0 | 0 | 115.1 | P352 Y353 L753 A754 R755 | P352-N751 WeakPolarHBondContact O-CB 3.34Å; Y353-N751 PolarHBondContact O-ND2 3.45Å; N751-L753 VanDerWaalsContact C-N 3.29Å; N751-L753 PolarHBondContact O-N 3.39Å; N751-A754 PolarHBondContact O-N 2.91Å; N751-A754 WeakPolarHBondContact OD1-CB 3.17Å; N751-A754 PolarHBondContact OD1-N 3.31Å; N751-R755 WeakPolarHBondContact O-CB 3.44Å; N751-R755 WeakPolarHBondContact O-CG 3.43Å; N751-R755 PolarHBondContact O-N 2.92Å; N751-R755 VanDerWaalsContact O-N 3.07Å | ||
| 752 | T | 94.6 | Very high | 96 | Very high | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -41 | -177.8 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | Y745 F748 N750 N756 | Y745-T752 HydrophobicContact CE1-CG2 4.17Å; Y745-T752 HydrophobicContact CE2-CG2 4.41Å; Y745-T752 WeakPolarHBondContact OH-CG2 3.31Å; F748-T752 PolarHBondContact N-OG1 3.19Å; F748-T752 PolarHBondContact O-OG1 3.22Å; N750-T752 VanDerWaalsContact C-N 3.32Å; N750-T752 PolarHBondContact O-N 3.17Å; T752-N756 PolarHBondContact O-N 2.93Å; T752-N756 PolarHBondContact O-ND2 3.36Å |
| 753 | L | 94.3 | Very high | 96 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -58 | -178.8 | 175.4 | 64.6 | 0 | 0 | 0 | 111.2 | Y625 F642 A644 N751 R755 N756 Y757 | Y625-L753 HydrophobicContact CD1-CD2 4Å; Y625-L753 HydrophobicContact CE1-CD1 4.33Å; Y625-L753 HydrophobicContact CE1-CD2 3.46Å; Y625-L753 VanDerWaalsContact CE1-CD2 3.46Å; Y625-L753 HydrophobicContact CE1-CG 4.49Å; F642-L753 HydrophobicContact CE1-CD2 4.03Å; F642-L753 HydrophobicContact CE1-CG 3.96Å; F642-L753 HydrophobicContact CZ-CD2 3.88Å; F642-L753 HydrophobicContact CZ-CG 4.32Å; A644-L753 HydrophobicContact CB-CD2 4.11Å; N751-L753 VanDerWaalsContact C-N 3.29Å; N751-L753 PolarHBondContact O-N 3.39Å; L753-R755 VanDerWaalsContact C-N 3.33Å; L753-R755 PolarHBondContact O-N 3.25Å; L753-N756 PolarHBondContact O-N 2.83Å; L753-N756 VanDerWaalsContact O-N 3.13Å; L753-Y757 HydrophobicContact CD1-CE2 4.21Å |
| 754 | A | 95.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -69.4 | -29.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A355 T357 F642 N751 N756 Y757 | A355-A754 HydrophobicContact CB-CB 3.8Å; T357-A754 VanDerWaalsContact CG2-O 3.25Å; T357-A754 WeakPolarHBondContact CG2-O 3.16Å; T357-A754 PolarHBondContact OG1-O 3.43Å; F642-A754 HydrophobicContact CB-CB 4.29Å; F642-A754 HydrophobicContact CD1-CB 3.7Å; F642-A754 HydrophobicContact CE1-CB 4.42Å; F642-A754 HydrophobicContact CG-CB 4.25Å; F642-A754 WeakPolarHBondContact O-CB 3.47Å; N751-A754 PolarHBondContact O-N 2.91Å; N751-A754 WeakPolarHBondContact OD1-CB 3.17Å; N751-A754 PolarHBondContact OD1-N 3.31Å; A754-N756 PolarHBondContact O-N 2.92Å; A754-Y757 PolarHBondContact O-N 3.29Å |
| 755 | R | 96.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -73.9 | -2.4 | 174.4 | -67.1 | 179.7 | 78.2 | -179.2 | 4.3 | 114.2 | D175 Y176 D177 P347 A355 F748 N751 L753 | D175-R755 IonicContact OD1-NH2 3.36Å; D175-R755 PolarHBondContact OD1-NH2 2.94Å; D175-R755 VanDerWaalsContact OD1-NH2 3.07Å; D175-R755 IonicContact OD2-CZ 3.22Å; D175-R755 IonicContact OD2-NE 2.8Å; D175-R755 PolarHBondContact OD2-NE 3.15Å; D175-R755 IonicContact OD2-NH2 2.89Å; D175-R755 PolarHBondContact OD2-NH2 2.77Å; Y176-R755 PolarHBondContact OH-NH1 3.22Å; D177-R755 IonicContact OD2-CZ 2.77Å; D177-R755 IonicContact OD2-NH1 3.92Å; D177-R755 PolarHBondContact OD2-NH1 2.57Å; D177-R755 IonicContact OD2-NH2 3.75Å; D177-R755 PolarHBondContact OD2-NH2 2.87Å; P347-R755 WeakPolarHBondContact CG-O 3.26Å; A355-R755 HydrophobicContact CB-CG 3.92Å; F748-R755 HydrophobicContact CD2-CB 3.59Å; F748-R755 HydrophobicContact CD2-CG 4.47Å; F748-R755 VanDerWaalsContact CE1-CZ 3.41Å; F748-R755 HydrophobicContact CE2-CB 3.49Å; F748-R755 VanDerWaalsContact CE2-CB 3.49Å; F748-R755 HydrophobicContact CG-CB 4.26Å; F748-R755 HydrophobicContact CZ-CB 4.09Å; N751-R755 WeakPolarHBondContact O-CB 3.44Å; N751-R755 WeakPolarHBondContact O-CG 3.43Å; N751-R755 PolarHBondContact O-N 2.92Å; N751-R755 VanDerWaalsContact O-N 3.07Å; L753-R755 VanDerWaalsContact C-N 3.33Å; L753-R755 PolarHBondContact O-N 3.25Å |
| 756 | N | 97.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -110.6 | 15.4 | 170.7 | -74 | -82.7 | 0 | 0 | 0 | 112.8 | Y745 K746 T752 L753 A754 S784 | Y745-N756 WeakPolarHBondContact CA-OD1 3.33Å; Y745-N756 HydrophobicContact CD2-CB 4Å; Y745-N756 HydrophobicContact CE2-CB 3.98Å; K746-N756 PolarHBondContact N-OD1 2.93Å; K746-N756 PolarHBondContact O-ND2 3.34Å; T752-N756 PolarHBondContact O-N 2.93Å; T752-N756 PolarHBondContact O-ND2 3.36Å; L753-N756 PolarHBondContact O-N 2.83Å; L753-N756 VanDerWaalsContact O-N 3.13Å; A754-N756 PolarHBondContact O-N 2.92Å; N756-S784 WeakPolarHBondContact O-CB 3.28Å; N756-S784 PolarHBondContact O-OG 3.48Å |
| 757 | Y | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -91.8 | 139.9 | 165.3 | -91.5 | -102.1 | 0 | 0 | 0 | 110.6 | F642 L753 A754 V783 E792 M794 | F642-Y757 HydrophobicContact CD1-CD2 4.05Å; F642-Y757 HydrophobicContact CD1-CE2 4.18Å; F642-Y757 HydrophobicContact CD1-CG 4.46Å; F642-Y757 AromaticContact CE1-CD2 3.81Å; F642-Y757 HydrophobicContact CE1-CD2 3.81Å; F642-Y757 AromaticContact CE1-CE2 3.5Å; F642-Y757 HydrophobicContact CE1-CE2 3.5Å; F642-Y757 HydrophobicContact CZ-CE2 4.39Å; L753-Y757 HydrophobicContact CD1-CE2 4.21Å; A754-Y757 PolarHBondContact O-N 3.29Å; Y757-V783 WeakPolarHBondContact CA-O 3.45Å; Y757-E792 PolarHBondContact OH-OE1 3.38Å; Y757-M794 HydrophobicContact CE1-CB 4.08Å; Y757-M794 HydrophobicContact CE1-CE 3.96Å | ||
| 758 | F | 98.7 | Very high | 96.4 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 156.6 | 179 | -65.3 | -87 | 0 | 0 | 0 | 109.7 | L346 P347 L731 R743 V783 | L346-F758 WeakPolarHBondContact O-CE1 3.28Å; P347-F758 VanDerWaalsContact CD-CE1 3.4Å; L731-F758 HydrophobicContact CD2-CD2 4.29Å; R743-F758 HydrophobicContact CB-CD2 3.91Å; R743-F758 HydrophobicContact CB-CE2 3.74Å; R743-F758 HydrophobicContact CB-CG 4.43Å; R743-F758 HydrophobicContact CB-CZ 4.11Å; R743-F758 HydrophobicContact CG-CB 4.42Å; R743-F758 HydrophobicContact CG-CD1 4.04Å; R743-F758 HydrophobicContact CG-CD2 3.79Å; R743-F758 HydrophobicContact CG-CE1 4.22Å; R743-F758 HydrophobicContact CG-CE2 4.01Å; R743-F758 HydrophobicContact CG-CG 3.81Å; R743-F758 HydrophobicContact CG-CZ 4.22Å; R743-F758 VanDerWaalsContact CZ-CD1 3.44Å; R743-F758 VanDerWaalsContact NE-CD1 3.32Å; F758-V783 PolarHBondContact N-O 2.86Å; F758-V783 VanDerWaalsContact O-CG2 3.26Å; F758-V783 WeakPolarHBondContact O-CG2 3.47Å; F758-V783 PolarHBondContact O-N 2.85Å |
| 759 | P | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 148 | 173.1 | 29.3 | -33.6 | 0 | 0 | 0 | 111.3 | A116 L346 Y360 S733 H781 | A116-P759 HydrophobicContact CB-CB 4.45Å; A116-P759 HydrophobicContact CB-CG 4.28Å; A116-P759 WeakPolarHBondContact O-CB 3.26Å; A116-P759 WeakPolarHBondContact O-CG 3.45Å; L346-P759 HydrophobicContact CD1-CG 3.9Å; Y360-P759 HydrophobicContact CD1-CB 4.3Å; Y360-P759 HydrophobicContact CE1-CB 4.41Å; Y360-P759 HydrophobicContact CG-CB 4.44Å; S733-P759 VanDerWaalsContact CB-O 3.29Å; S733-P759 WeakPolarHBondContact CB-O 3.21Å; S733-P759 PolarHBondContact OG-O 3Å; P759-H781 CarbonylContact C-O 3.55Å |
| 760 | M | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 104.1 | 163.5 | 173.3 | -175.9 | 68.9 | 0 | 0 | 106.7 | A764 A780 H781 V783 V793 L823 | M760-A764 HydrophobicContact CB-CB 4.22Å; M760-A764 HydrophobicContact CG-CB 3.86Å; M760-A764 HydrophobicContact SD-CB 3.53Å; M760-A764 VanDerWaalsContact SD-CB 3.53Å; M760-A780 CarbonylContact O-C 3.59Å; M760-A780 VanDerWaalsContact O-CA 3.28Å; M760-A780 WeakPolarHBondContact O-CA 3.32Å; M760-H781 HydrophobicContact CE-CB 3.8Å; M760-H781 PolarHBondContact N-O 2.87Å; M760-H781 PolarHBondContact O-N 2.9Å; M760-V783 HydrophobicContact CB-CB 4.28Å; M760-V783 HydrophobicContact CB-CG1 3.49Å; M760-V783 VanDerWaalsContact CB-CG1 3.49Å; M760-V783 HydrophobicContact CB-CG2 3.74Å; M760-V783 HydrophobicContact CE-CG1 3.91Å; M760-V783 HydrophobicContact CG-CG1 4.22Å; M760-V783 HydrophobicContact SD-CG1 3.83Å; M760-V793 HydrophobicContact CE-CG1 3.74Å; M760-V793 HydrophobicContact CE-CG2 4.42Å; M760-L823 HydrophobicContact CE-CD2 4.2Å |
| 761 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -89.2 | -39.3 | 179.6 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | A116 T118 D119 R371 D734 A780 | A116-V761 VanDerWaalsContact O-CG2 3.28Å; A116-V761 WeakPolarHBondContact O-CG2 2.91Å; T118-V761 WeakPolarHBondContact O-CG1 3.48Å; D119-V761 HydrophobicContact CB-CG1 4.21Å; R371-V761 PolarHBondContact NH1-O 3.06Å; D734-V761 PolarHBondContact OD1-N 3.35Å; D734-V761 WeakPolarHBondContact OD2-CB 3.45Å; D734-V761 PolarHBondContact OD2-N 2.87Å; V761-A780 HydrophobicContact CG2-CB 4.43Å |
| 762 | R | 97.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 22.2 Ų | 22.2 | 4% | 0.038 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -126.7 | -42 | 176.6 | -69.8 | -170.6 | -178.8 | -171.1 | -8.4 | 112.9 | D119 E121 D734 L776 S777 A841 | D119-R762 IonicContact OD1-CZ 3.51Å; D119-R762 IonicContact OD1-NE 3.64Å; D119-R762 IonicContact OD1-NH2 2.9Å; D119-R762 PolarHBondContact OD1-NH2 3.11Å; D119-R762 IonicContact OD2-CZ 3.63Å; D119-R762 IonicContact OD2-NE 3.68Å; D119-R762 PolarHBondContact OD2-NE 3.17Å; D119-R762 IonicContact OD2-NH2 3.19Å; D119-R762 PolarHBondContact OD2-NH2 2.91Å; E121-R762 IonicContact OE1-NH2 3.19Å; E121-R762 PolarHBondContact OE1-NH2 3.16Å; E121-R762 VanDerWaalsContact OE1-NH2 3.09Å; D734-R762 VanDerWaalsContact CG-N 3.32Å; D734-R762 PolarHBondContact OD1-N 3.43Å; D734-R762 PolarHBondContact OD2-N 3.37Å; R762-L776 CarbonylContact O-C 3.45Å; R762-L776 VanDerWaalsContact O-CA 3.23Å; R762-L776 WeakPolarHBondContact O-CA 3.36Å; R762-S777 PolarHBondContact O-N 2.92Å; R762-A841 HydrophobicContact CB-CB 4.15Å |
| 763 | T | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 133.1 | -163.8 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | D734 M740 Y765 V774 L775 L776 Y837 | D734-T763 PolarHBondContact N-O 2.86Å; D734-T763 PolarHBondContact OD1-N 2.79Å; M740-T763 HydrophobicContact CE-CG2 4.37Å; M740-T763 HydrophobicContact SD-CG2 4.24Å; T763-Y765 HydrophobicContact CG2-CD1 4.37Å; T763-V774 HydrophobicContact CG2-CG1 3.73Å; T763-L775 WeakPolarHBondContact CA-O 3.14Å; T763-L776 HydrophobicContact CG2-CD2 3.79Å; T763-L776 WeakPolarHBondContact OG1-CD2 3.34Å; T763-Y837 HydrophobicContact CG2-CD2 3.85Å; T763-Y837 HydrophobicContact CG2-CE2 4.32Å; T763-Y837 HydrophobicContact CG2-CG 4.49Å |
| 764 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L731 Y732 M760 L775 V783 | L731-A764 HydrophobicContact CD1-CB 4.25Å; Y732-A764 CarbonylContact O-C 3.57Å; Y732-A764 WeakPolarHBondContact O-CA 3.42Å; M760-A764 HydrophobicContact CB-CB 4.22Å; M760-A764 HydrophobicContact CG-CB 3.86Å; M760-A764 HydrophobicContact SD-CB 3.53Å; M760-A764 VanDerWaalsContact SD-CB 3.53Å; A764-L775 PolarHBondContact N-O 3.14Å; A764-L775 PolarHBondContact O-N 2.96Å; A764-V783 HydrophobicContact CB-CB 4.48Å; A764-V783 HydrophobicContact CB-CG1 4.27Å; A764-V783 HydrophobicContact CB-CG2 4.18Å |
| 765 | Y | 98.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 18.5 Ų | 18.5 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 158.5 | 175.6 | 65.5 | -103.8 | 0 | 0 | 0 | 113.6 | Y732 M740 T763 Q767 R772 L773 V774 Y837 | Y732-Y765 AromaticContact CD1-CE2 3.83Å; Y732-Y765 HydrophobicContact CD1-CE2 3.83Å; Y732-Y765 AromaticContact CD1-CZ 3.78Å; Y732-Y765 WeakPolarHBondContact CD1-OH 3.4Å; Y732-Y765 AromaticContact CD2-CD2 3.72Å; Y732-Y765 HydrophobicContact CD2-CD2 3.72Å; Y732-Y765 AromaticContact CD2-CE2 3.3Å; Y732-Y765 HydrophobicContact CD2-CE2 3.3Å; Y732-Y765 HydrophobicContact CE1-CE2 4.42Å; Y732-Y765 HydrophobicContact CE2-CE2 4.01Å; Y732-Y765 AromaticContact CG-CD2 3.85Å; Y732-Y765 HydrophobicContact CG-CD2 3.85Å; Y732-Y765 HydrophobicContact CG-CE1 4.35Å; Y732-Y765 AromaticContact CG-CE2 3.2Å; Y732-Y765 HydrophobicContact CG-CE2 3.2Å; Y732-Y765 AromaticContact CG-CZ 3.5Å; Y732-Y765 VanDerWaalsContact CG-CZ 3.5Å; Y732-Y765 PolarHBondContact N-O 3.5Å; Y732-Y765 PolarHBondContact O-N 2.79Å; M740-Y765 HydrophobicContact CE-CD1 3.91Å; M740-Y765 HydrophobicContact CE-CE1 3.66Å; M740-Y765 HydrophobicContact CG-CE1 4.11Å; M740-Y765 HydrophobicContact SD-CE1 4.3Å; T763-Y765 HydrophobicContact CG2-CD1 4.37Å; Y765-Q767 HydrophobicContact CD2-CG 4.44Å; Y765-Q767 HydrophobicContact CE2-CG 4.28Å; Y765-Q767 VanDerWaalsContact CE2-OE1 3.31Å; Y765-R772 HydrophobicContact CD2-CG 3.76Å; Y765-R772 HydrophobicContact CE2-CG 4.43Å; Y765-R772 HydrophobicContact CG-CG 4.03Å; Y765-L773 VanDerWaalsContact CA-O 3.22Å; Y765-L773 WeakPolarHBondContact CA-O 3.44Å; Y765-L773 WeakPolarHBondContact CB-O 3.49Å; Y765-V774 HydrophobicContact CG-CG2 4.42Å; Y765-Y837 HydrophobicContact CE1-CE1 4.39Å |
| 766 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151.6 | 164.6 | 60.1 | 169.9 | 0 | 0 | 0 | 108.6 | L725 N727 L731 L773 L791 | L725-I766 HydrophobicContact CD1-CD1 4.17Å; L725-I766 HydrophobicContact CD1-CG1 4.03Å; N727-I766 HydrophobicContact CB-CB 4.08Å; N727-I766 WeakPolarHBondContact ND2-CG2 3.31Å; L731-I766 HydrophobicContact CD1-CG2 4.45Å; I766-L773 HydrophobicContact CD1-CD2 4.41Å; I766-L773 HydrophobicContact CG1-CB 4.2Å; I766-L773 HydrophobicContact CG1-CD2 4.37Å; I766-L773 PolarHBondContact N-O 3.48Å; I766-L773 VanDerWaalsContact N-O 3.13Å; I766-L773 PolarHBondContact O-N 3.33Å; I766-L791 HydrophobicContact CD1-CB 4.1Å; I766-L791 HydrophobicContact CG1-CB 4.29Å; I766-L791 HydrophobicContact CG2-CB 4.13Å; I766-L791 HydrophobicContact CG2-CD1 4.39Å |
| 767 | Q | 97.8 | Very high | 97.7 | Very high | 37 Ų | 37 | 17.9 Ų | 17.9 | 17% | 0.173 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 153.4 | 178.9 | 59 | 170.1 | 81.8 | 0 | 0 | 111.4 | N727 Y732 Y765 S771 R772 | N727-Q767 VanDerWaalsContact CA-O 3.32Å; N727-Q767 WeakPolarHBondContact CA-O 3.35Å; N727-Q767 VanDerWaalsContact CB-O 3.27Å; N727-Q767 WeakPolarHBondContact CB-O 3.47Å; Y732-Q767 HydrophobicContact CD2-CG 4.49Å; Y732-Q767 HydrophobicContact CE2-CG 3.97Å; Y765-Q767 HydrophobicContact CD2-CG 4.44Å; Y765-Q767 HydrophobicContact CE2-CG 4.28Å; Y765-Q767 VanDerWaalsContact CE2-OE1 3.31Å; Q767-S771 VanDerWaalsContact CA-O 3.23Å; Q767-S771 WeakPolarHBondContact CA-O 3.16Å; Q767-S771 VanDerWaalsContact CB-O 3.25Å; Q767-S771 WeakPolarHBondContact CB-O 3.35Å; Q767-R772 HydrophobicContact CB-CB 3.91Å; Q767-R772 HydrophobicContact CB-CG 4Å; Q767-R772 VanDerWaalsContact OE1-CZ 3.27Å |
| 768 | D | 96.1 | Very high | 97.6 | Very high | 31 Ų | 31 | 19.3 Ų | 19.3 | 17% | 0.166 | 10% | 0.099 | C | C | . | . | trans | -96.1 | -162.2 | 158.9 | 65.2 | 30.9 | 0 | 0 | 0 | 109.3 | L725 D726 I770 S771 | L725-D768 VanDerWaalsContact CD2-OD2 3.24Å; L725-D768 WeakPolarHBondContact CD2-OD2 3.44Å; D726-D768 VanDerWaalsContact O-CA 3.31Å; D726-D768 WeakPolarHBondContact O-CA 3.44Å; D726-D768 VanDerWaalsContact O-CB 3.29Å; D726-D768 WeakPolarHBondContact O-CB 3.38Å; D768-I770 PolarHBondContact O-N 2.87Å; D768-I770 WeakPolarHBondContact OD1-CG1 3.3Å; D768-I770 PolarHBondContact OD1-N 2.97Å; D768-S771 PolarHBondContact N-O 3.41Å; D768-S771 WeakPolarHBondContact OD1-CA 3.39Å; D768-S771 WeakPolarHBondContact OD1-CB 3.35Å; D768-S771 PolarHBondContact OD1-N 3.2Å | ||
| 769 | D | 94.3 | Very high | 97.6 | Very high | 161 Ų | 161 | 19 Ų | 19 | 86% | 0.861 | 10% | 0.097 | S | C | * | . | S | Bend | trans | -64.8 | -24.7 | 179.6 | -70.5 | -25.4 | 0 | 0 | 0 | 114.1 | ||
| 770 | I | 93.5 | Very high | 97.6 | Very high | 85 Ų | 85 | 19.1 Ų | 19.1 | 44% | 0.436 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -130.7 | -21.8 | -165.7 | 61.1 | -163.9 | 0 | 0 | 0 | 114.1 | D768 S829 V830 | D768-I770 PolarHBondContact O-N 2.87Å; D768-I770 WeakPolarHBondContact OD1-CG1 3.3Å; D768-I770 PolarHBondContact OD1-N 2.97Å; I770-S829 WeakPolarHBondContact O-CA 3.46Å; I770-S829 WeakPolarHBondContact O-CB 3.35Å; I770-V830 PolarHBondContact O-N 3.42Å |
| 771 | S | 96.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 4% | 0.035 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.5 | -173.1 | -47.1 | 0 | 0 | 0 | 0 | 111.1 | Q767 D768 G828 | Q767-S771 VanDerWaalsContact CA-O 3.23Å; Q767-S771 WeakPolarHBondContact CA-O 3.16Å; Q767-S771 VanDerWaalsContact CB-O 3.25Å; Q767-S771 WeakPolarHBondContact CB-O 3.35Å; D768-S771 PolarHBondContact N-O 3.41Å; D768-S771 WeakPolarHBondContact OD1-CA 3.39Å; D768-S771 WeakPolarHBondContact OD1-CB 3.35Å; D768-S771 PolarHBondContact OD1-N 3.2Å; S771-G828 CarbonylContact C-O 3.49Å; S771-G828 WeakPolarHBondContact CA-O 3.17Å |
| 772 | R | 97.7 | Very high | 97.6 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 5% | 0.045 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.8 | 179.4 | -176.5 | -177.6 | -63.5 | 155.6 | -19.2 | 110.8 | Y765 Q767 V774 G828 V830 T833 S834 | Y765-R772 HydrophobicContact CD2-CG 3.76Å; Y765-R772 HydrophobicContact CE2-CG 4.43Å; Y765-R772 HydrophobicContact CG-CG 4.03Å; Q767-R772 HydrophobicContact CB-CB 3.91Å; Q767-R772 HydrophobicContact CB-CG 4Å; Q767-R772 VanDerWaalsContact OE1-CZ 3.27Å; R772-V774 HydrophobicContact CG-CG2 3.67Å; R772-G828 PolarHBondContact N-O 3.35Å; R772-G828 PolarHBondContact O-N 3.46Å; R772-V830 PolarHBondContact NH1-O 2.95Å; R772-T833 HydrophobicContact CB-CG2 4.24Å; R772-T833 WeakPolarHBondContact CD-OG1 3.24Å; R772-T833 PolarHBondContact NH1-OG1 3.04Å; R772-T833 VanDerWaalsContact NH1-OG1 3.13Å; R772-S834 PolarHBondContact NH1-OG 3.42Å |
| 773 | L | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.5 | 169.8 | 171.3 | 66.7 | 0 | 0 | 0 | 108.8 | M618 T721 L725 Y765 I766 M825 L827 | M618-L773 HydrophobicContact CE-CD1 4.42Å; T721-L773 HydrophobicContact CG2-CD2 3.59Å; L725-L773 HydrophobicContact CD1-CB 3.7Å; Y765-L773 VanDerWaalsContact CA-O 3.22Å; Y765-L773 WeakPolarHBondContact CA-O 3.44Å; Y765-L773 WeakPolarHBondContact CB-O 3.49Å; I766-L773 HydrophobicContact CD1-CD2 4.41Å; I766-L773 HydrophobicContact CG1-CB 4.2Å; I766-L773 HydrophobicContact CG1-CD2 4.37Å; I766-L773 PolarHBondContact N-O 3.48Å; I766-L773 VanDerWaalsContact N-O 3.13Å; I766-L773 PolarHBondContact O-N 3.33Å; L773-M825 HydrophobicContact CD1-CG 3.61Å; L773-M825 HydrophobicContact CD1-SD 3.76Å; L773-L827 HydrophobicContact CB-CD1 4.2Å; L773-L827 HydrophobicContact CD1-CD1 4.36Å |
| 774 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.3 | -177.8 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | T763 Y765 R772 L776 M825 I826 T833 Y837 | T763-V774 HydrophobicContact CG2-CG1 3.73Å; Y765-V774 HydrophobicContact CG-CG2 4.42Å; R772-V774 HydrophobicContact CG-CG2 3.67Å; V774-L776 HydrophobicContact CG1-CD2 3.63Å; V774-M825 WeakPolarHBondContact O-CA 3.34Å; V774-I826 HydrophobicContact CB-CB 4.27Å; V774-I826 PolarHBondContact N-O 2.91Å; V774-I826 PolarHBondContact O-N 3.44Å; V774-T833 HydrophobicContact CG2-CG2 4.39Å; V774-Y837 HydrophobicContact CG1-CG 4.46Å |
| 775 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127 | 166.8 | -60.6 | -177.6 | 0 | 0 | 0 | 109.3 | T763 A764 L791 V793 L823 W824 M825 | T763-L775 WeakPolarHBondContact CA-O 3.14Å; A764-L775 PolarHBondContact N-O 3.14Å; A764-L775 PolarHBondContact O-N 2.96Å; L775-L791 HydrophobicContact CB-CD2 4.45Å; L775-L791 HydrophobicContact CD1-CD2 3.5Å; L775-L791 VanDerWaalsContact CD1-CD2 3.5Å; L775-L791 HydrophobicContact CD1-CG 4.02Å; L775-L791 HydrophobicContact CG-CD2 3.7Å; L775-V793 HydrophobicContact CD1-CG2 3.73Å; L775-L823 HydrophobicContact CD1-CD1 4.44Å; L775-W824 WeakPolarHBondContact CA-O 3.22Å; L775-M825 HydrophobicContact CD2-CB 3.96Å; L775-M825 HydrophobicContact CD2-CG 3.98Å |
| 776 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 147.9 | 169.4 | -39.6 | 177.8 | 0 | 0 | 0 | 108.8 | R762 T763 V774 L823 W824 I826 G840 A841 L844 | R762-L776 CarbonylContact O-C 3.45Å; R762-L776 VanDerWaalsContact O-CA 3.23Å; R762-L776 WeakPolarHBondContact O-CA 3.36Å; T763-L776 HydrophobicContact CG2-CD2 3.79Å; T763-L776 WeakPolarHBondContact OG1-CD2 3.34Å; V774-L776 HydrophobicContact CG1-CD2 3.63Å; L776-L823 CarbonylContact O-C 3.59Å; L776-L823 WeakPolarHBondContact O-CA 3.37Å; L776-W824 HydrophobicContact CB-CB 4.14Å; L776-W824 HydrophobicContact CD1-CB 4.22Å; L776-W824 HydrophobicContact CD1-CE3 4.07Å; L776-W824 HydrophobicContact CG-CB 4.28Å; L776-W824 PolarHBondContact N-O 3.29Å; L776-W824 PolarHBondContact O-N 2.97Å; L776-I826 HydrophobicContact CD1-CD1 3.95Å; L776-G840 VanDerWaalsContact CD1-C 3.49Å; L776-A841 HydrophobicContact CD2-CB 4.39Å; L776-L844 HydrophobicContact CB-CD2 3.83Å |
| 777 | S | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.9 | -174.6 | -169.2 | 0 | 0 | 0 | 0 | 113.8 | R762 R779 H781 L823 L844 | R762-S777 PolarHBondContact O-N 2.92Å; S777-R779 VanDerWaalsContact C-N 3.28Å; S777-R779 VanDerWaalsContact CB-O 3.28Å; S777-R779 WeakPolarHBondContact CB-O 3.37Å; S777-R779 PolarHBondContact OG-N 2.88Å; S777-R779 PolarHBondContact OG-O 3.5Å; S777-H781 PolarHBondContact OG-CD2 2.93Å; S777-H781 VanDerWaalsContact OG-CD2 3.24Å; S777-L823 WeakPolarHBondContact OG-CD2 3.48Å; S777-L844 VanDerWaalsContact C-CD2 3.4Å |
| 778 | D | 96.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 23 Ų | 23 | 16% | 0.16 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -82.4 | -5.3 | 172.5 | 79.1 | -25.1 | 0 | 0 | 0 | 113.5 | R371 T822 L844 | R371-D778 WeakPolarHBondContact CB-O 3.33Å; D778-T822 PolarHBondContact N-O 2.87Å; D778-T822 PolarHBondContact OD1-N 2.88Å; D778-L844 HydrophobicContact CB-CD1 4.24Å; D778-L844 HydrophobicContact CB-CG 4.43Å |
| 779 | R | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 5% | 0.045 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -158.7 | 166.2 | 178.2 | 69.7 | -162.4 | 70.5 | -172.8 | 1.2 | 112.6 | N364 K367 R371 S777 H781 R820 | N364-R779 WeakPolarHBondContact ND2-CD 3.46Å; N364-R779 PolarHBondContact O-NH1 2.8Å; N364-R779 VanDerWaalsContact OD1-CD 3.28Å; N364-R779 WeakPolarHBondContact OD1-CD 3.41Å; N364-R779 PolarHBondContact OD1-NH1 2.8Å; K367-R779 HydrophobicContact CB-CB 4.38Å; R371-R779 HydrophobicContact CG-CB 4.5Å; S777-R779 VanDerWaalsContact C-N 3.28Å; S777-R779 VanDerWaalsContact CB-O 3.28Å; S777-R779 WeakPolarHBondContact CB-O 3.37Å; S777-R779 PolarHBondContact OG-N 2.88Å; S777-R779 PolarHBondContact OG-O 3.5Å; R779-H781 WeakPolarHBondContact CG-NE2 3.17Å; R779-H781 PolarHBondContact O-CD2 3.08Å; R779-H781 VanDerWaalsContact O-CD2 3.23Å; R779-R820 PolarHBondContact NH2-O 2.8Å; R779-R820 VanDerWaalsContact NH2-O 3.17Å |
| 780 | A | 98.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | trans | -69 | 142.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V117 K367 M760 V761 | V117-A780 HydrophobicContact CB-CB 3.62Å; V117-A780 HydrophobicContact CG1-CB 3.92Å; K367-A780 HydrophobicContact CD-CB 4.27Å; M760-A780 CarbonylContact O-C 3.59Å; M760-A780 VanDerWaalsContact O-CA 3.28Å; M760-A780 WeakPolarHBondContact O-CA 3.32Å; V761-A780 HydrophobicContact CG2-CB 4.43Å | ||
| 781 | H | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 162.8 | 176.7 | -72.1 | -82.8 | 0 | 0 | 0 | 111.5 | Y360 N364 P759 M760 S777 R779 V793 M794 | Y360-H781 CarbonylContact O-C 3.46Å; Y360-H781 VanDerWaalsContact O-C 3.31Å; Y360-H781 VanDerWaalsContact O-CA 3.23Å; Y360-H781 WeakPolarHBondContact O-CA 3.21Å; N364-H781 PolarHBondContact ND2-CE1 3.21Å; P759-H781 CarbonylContact C-O 3.55Å; M760-H781 HydrophobicContact CE-CB 3.8Å; M760-H781 PolarHBondContact N-O 2.87Å; M760-H781 PolarHBondContact O-N 2.9Å; S777-H781 PolarHBondContact OG-CD2 2.93Å; S777-H781 VanDerWaalsContact OG-CD2 3.24Å; R779-H781 WeakPolarHBondContact CG-NE2 3.17Å; R779-H781 PolarHBondContact O-CD2 3.08Å; R779-H781 VanDerWaalsContact O-CD2 3.23Å; H781-V793 HydrophobicContact CB-CG1 3.67Å; H781-M794 PolarHBondContact ND1-O 3.5Å |
| 782 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y360 M794 | Y360-G782 VanDerWaalsContact CB-CA 3.45Å; Y360-G782 PolarHBondContact O-N 3.4Å; G782-M794 PolarHBondContact O-N 2.03Å |
| 783 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.6 | -178.8 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | L731 Y757 F758 M760 A764 E792 V793 | L731-V783 HydrophobicContact CD2-CB 4.39Å; L731-V783 HydrophobicContact CD2-CG2 3.87Å; Y757-V783 WeakPolarHBondContact CA-O 3.45Å; F758-V783 PolarHBondContact N-O 2.86Å; F758-V783 VanDerWaalsContact O-CG2 3.26Å; F758-V783 WeakPolarHBondContact O-CG2 3.47Å; F758-V783 PolarHBondContact O-N 2.85Å; M760-V783 HydrophobicContact CB-CB 4.28Å; M760-V783 HydrophobicContact CB-CG1 3.49Å; M760-V783 VanDerWaalsContact CB-CG1 3.49Å; M760-V783 HydrophobicContact CB-CG2 3.74Å; M760-V783 HydrophobicContact CE-CG1 3.91Å; M760-V783 HydrophobicContact CG-CG1 4.22Å; M760-V783 HydrophobicContact SD-CG1 3.83Å; A764-V783 HydrophobicContact CB-CB 4.48Å; A764-V783 HydrophobicContact CB-CG1 4.27Å; A764-V783 HydrophobicContact CB-CG2 4.18Å; V783-E792 CarbonylContact C-O 3.54Å; V783-E792 VanDerWaalsContact CA-O 3.25Å; V783-E792 WeakPolarHBondContact CA-O 3.35Å; V783-V793 HydrophobicContact CG1-CB 4.31Å; V783-V793 HydrophobicContact CG1-CG1 4.06Å; V783-V793 HydrophobicContact CG1-CG2 4Å |
| 784 | S | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 163 | 175.5 | -164.9 | 0 | 0 | 0 | 0 | 112.1 | N756 P786 E792 | N756-S784 WeakPolarHBondContact O-CB 3.28Å; N756-S784 PolarHBondContact O-OG 3.48Å; S784-P786 WeakPolarHBondContact O-CD 3.37Å; S784-E792 PolarHBondContact N-O 2.97Å; S784-E792 PolarHBondContact O-N 2.74Å |
| 785 | S | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 3% | 0.028 | 6% | 0.063 | C | C | . | . | trans | -117.3 | 80.3 | 164.8 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | N727 A787 Q790 | N727-S785 PolarHBondContact ND2-OG 3.23Å; S785-A787 VanDerWaalsContact C-N 3.28Å; S785-A787 PolarHBondContact O-N 3.27Å; S785-A787 PolarHBondContact OG-O 2.94Å; S785-Q790 VanDerWaalsContact CA-O 3.3Å; S785-Q790 WeakPolarHBondContact CA-O 3.28Å; S785-Q790 VanDerWaalsContact CB-O 3.3Å; S785-Q790 WeakPolarHBondContact CB-O 3.21Å; S785-Q790 PolarHBondContact OG-O 3.3Å | ||
| 786 | P | 94.9 | Very high | 97.9 | Very high | 22 Ų | 22 | 10.9 Ų | 10.9 | 14% | 0.143 | 6% | 0.063 | C | C | . | . | trans | -72.3 | -20.3 | -171.1 | 28.5 | -35.2 | 0 | 0 | 0 | 113 | R729 S784 Q790 E792 | R729-P786 VanDerWaalsContact CZ-O 3.28Å; R729-P786 PolarHBondContact NE-O 2.81Å; R729-P786 VanDerWaalsContact NE-O 3.17Å; R729-P786 PolarHBondContact NH2-O 2.82Å; S784-P786 WeakPolarHBondContact O-CD 3.37Å; P786-Q790 HydrophobicContact CG-CB 4.49Å; P786-E792 HydrophobicContact CG-CB 4.24Å | ||
| 787 | A | 96.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 10.9 Ų | 10.9 | 28% | 0.281 | 6% | 0.063 | S | C | . | . | S | Bend | trans | -145.5 | 166.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S785 Q790 | S785-A787 VanDerWaalsContact C-N 3.28Å; S785-A787 PolarHBondContact O-N 3.27Å; S785-A787 PolarHBondContact OG-O 2.94Å; A787-Q790 HydrophobicContact CB-CB 4.44Å; A787-Q790 HydrophobicContact CB-CG 4.1Å; A787-Q790 WeakPolarHBondContact O-CB 3.4Å; A787-Q790 PolarHBondContact O-N 3.07Å |
| 788 | D | 97.6 | Very high | 97.7 | Very high | 79 Ų | 79 | 13.2 Ų | 13.2 | 42% | 0.422 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 138.9 | 178 | -169.2 | 49.3 | 0 | 0 | 0 | 110.7 | N727 N728 R729 Q790 | N727-D788 PolarHBondContact N-OD1 2.98Å; N727-D788 PolarHBondContact OD1-OD1 3.01Å; N728-D788 WeakPolarHBondContact CA-OD1 3.2Å; N728-D788 PolarHBondContact N-OD1 3.34Å; R729-D788 HydrophobicContact CG-CB 4.37Å; D788-Q790 PolarHBondContact O-N 3.14Å |
| 789 | G | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 3.1 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | S723 L725 N727 | S723-G789 WeakPolarHBondContact CB-O 3.45Å; S723-G789 PolarHBondContact N-O 2.76Å; S723-G789 PolarHBondContact OG-O 3.41Å; L725-G789 WeakPolarHBondContact O-CA 3.47Å; L725-G789 PolarHBondContact O-N 2.91Å; N727-G789 PolarHBondContact OD1-N 3.41Å |
| 790 | Q | 98.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 16.3 Ų | 16.3 | 18% | 0.182 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.6 | -178.3 | -63 | -171.8 | -12.5 | 0 | 0 | 113 | T721 S722 S785 P786 A787 D788 | T721-Q790 WeakPolarHBondContact O-CA 3.42Å; S722-Q790 PolarHBondContact OG-NE2 2.82Å; S785-Q790 VanDerWaalsContact CA-O 3.3Å; S785-Q790 WeakPolarHBondContact CA-O 3.28Å; S785-Q790 VanDerWaalsContact CB-O 3.3Å; S785-Q790 WeakPolarHBondContact CB-O 3.21Å; S785-Q790 PolarHBondContact OG-O 3.3Å; P786-Q790 HydrophobicContact CG-CB 4.49Å; A787-Q790 HydrophobicContact CB-CB 4.44Å; A787-Q790 HydrophobicContact CB-CG 4.1Å; A787-Q790 WeakPolarHBondContact O-CB 3.4Å; A787-Q790 PolarHBondContact O-N 3.07Å; D788-Q790 PolarHBondContact O-N 3.14Å |
| 791 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122 | 166.1 | 175.9 | 58 | 0 | 0 | 0 | 108 | T721 L731 I766 L775 | T721-L791 PolarHBondContact N-O 2.89Å; T721-L791 PolarHBondContact O-N 3.12Å; L731-L791 HydrophobicContact CD1-CD1 3.51Å; I766-L791 HydrophobicContact CD1-CB 4.1Å; I766-L791 HydrophobicContact CG1-CB 4.29Å; I766-L791 HydrophobicContact CG2-CB 4.13Å; I766-L791 HydrophobicContact CG2-CD1 4.39Å; L775-L791 HydrophobicContact CB-CD2 4.45Å; L775-L791 HydrophobicContact CD1-CD2 3.5Å; L775-L791 VanDerWaalsContact CD1-CD2 3.5Å; L775-L791 HydrophobicContact CD1-CG 4.02Å; L775-L791 HydrophobicContact CG-CD2 3.7Å |
| 792 | E | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.5 | -178.9 | -179.8 | 162.4 | 98.6 | 0 | 0 | 110.8 | Y625 V718 L719 R720 Y757 V783 S784 P786 | Y625-E792 WeakPolarHBondContact CE2-OE1 3.5Å; Y625-E792 PolarHBondContact OH-OE1 3.03Å; V718-E792 HydrophobicContact CB-CG 3.59Å; V718-E792 HydrophobicContact CG1-CG 4.18Å; V718-E792 HydrophobicContact CG2-CG 3.7Å; V718-E792 VanDerWaalsContact CG2-OE2 3.22Å; V718-E792 WeakPolarHBondContact CG2-OE2 3.42Å; L719-E792 CarbonylContact O-C 3.54Å; L719-E792 VanDerWaalsContact O-CA 3.31Å; L719-E792 WeakPolarHBondContact O-CA 3.44Å; R720-E792 IonicContact CZ-OE2 2.77Å; R720-E792 IonicContact NE-OE2 3.5Å; R720-E792 PolarHBondContact NE-OE2 2.98Å; R720-E792 IonicContact NH2-OE1 3.34Å; R720-E792 IonicContact NH2-OE2 3.79Å; R720-E792 PolarHBondContact NH2-OE2 3.1Å; Y757-E792 PolarHBondContact OH-OE1 3.38Å; V783-E792 CarbonylContact C-O 3.54Å; V783-E792 VanDerWaalsContact CA-O 3.25Å; V783-E792 WeakPolarHBondContact CA-O 3.35Å; S784-E792 PolarHBondContact N-O 2.97Å; S784-E792 PolarHBondContact O-N 2.74Å; P786-E792 HydrophobicContact CG-CB 4.24Å |
| 793 | V | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.8 | 178.7 | -171 | 0 | 0 | 0 | 0 | 109.2 | V718 L719 M760 L775 H781 V783 L795 L823 | V718-V793 CarbonylContact C-O 3.51Å; V718-V793 VanDerWaalsContact CA-O 3.26Å; V718-V793 WeakPolarHBondContact CA-O 3.45Å; L719-V793 HydrophobicContact CB-CB 4.48Å; L719-V793 PolarHBondContact N-O 2.91Å; L719-V793 PolarHBondContact O-N 2.83Å; M760-V793 HydrophobicContact CE-CG1 3.74Å; M760-V793 HydrophobicContact CE-CG2 4.42Å; L775-V793 HydrophobicContact CD1-CG2 3.73Å; H781-V793 HydrophobicContact CB-CG1 3.67Å; V783-V793 HydrophobicContact CG1-CB 4.31Å; V783-V793 HydrophobicContact CG1-CG1 4.06Å; V783-V793 HydrophobicContact CG1-CG2 4Å; V793-L795 HydrophobicContact CB-CD2 4.39Å; V793-L795 HydrophobicContact CG1-CD2 3.92Å; V793-L795 PolarHBondContact O-N 3.08Å; V793-L823 HydrophobicContact CG2-CD1 4.5Å |
| 794 | M | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 114 | 173.3 | -172 | 179 | -75.1 | 0 | 0 | 110 | A361 F642 E716 V718 Y757 H781 G782 R797 | A361-M794 HydrophobicContact CB-CB 4.06Å; A361-M794 HydrophobicContact CB-CG 3.69Å; A361-M794 HydrophobicContact CB-SD 3.87Å; F642-M794 HydrophobicContact CD1-CE 4.02Å; F642-M794 HydrophobicContact CD2-CE 3.92Å; F642-M794 HydrophobicContact CE1-CE 3.96Å; F642-M794 HydrophobicContact CE2-CE 3.85Å; F642-M794 HydrophobicContact CG-CE 4.01Å; F642-M794 HydrophobicContact CZ-CE 3.87Å; E716-M794 VanDerWaalsContact OE2-CE 3.31Å; E716-M794 WeakPolarHBondContact OE2-CE 3.44Å; V718-M794 HydrophobicContact CG1-CB 4.09Å; V718-M794 HydrophobicContact CG1-CG 4.22Å; Y757-M794 HydrophobicContact CE1-CB 4.08Å; Y757-M794 HydrophobicContact CE1-CE 3.96Å; H781-M794 PolarHBondContact ND1-O 3.5Å; G782-M794 PolarHBondContact O-N 2.03Å; M794-R797 HydrophobicContact CG-CG 4.11Å; M794-R797 WeakPolarHBondContact SD-CD 3.43Å; M794-R797 HydrophobicContact SD-CG 3.71Å |
| 795 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -37.6 | -171.3 | -67.1 | -174.8 | 0 | 0 | 0 | 112.9 | N364 F622 Y706 L708 V717 L719 V793 P821 | N364-L795 PolarHBondContact ND2-O 3.37Å; F622-L795 HydrophobicContact CE1-CD1 3.91Å; Y706-L795 HydrophobicContact CD1-CD1 4.25Å; Y706-L795 HydrophobicContact CG-CD1 4.1Å; L708-L795 HydrophobicContact CD1-CB 3.73Å; L708-L795 HydrophobicContact CD1-CD1 4.42Å; L708-L795 HydrophobicContact CD2-CB 4.12Å; L708-L795 HydrophobicContact CD2-CD1 4.01Å; V717-L795 PolarHBondContact O-N 2.72Å; L719-L795 HydrophobicContact CB-CD1 3.72Å; L719-L795 HydrophobicContact CB-CG 3.99Å; L719-L795 HydrophobicContact CD2-CD1 4.47Å; V793-L795 HydrophobicContact CB-CD2 4.39Å; V793-L795 HydrophobicContact CG1-CD2 3.92Å; V793-L795 PolarHBondContact O-N 3.08Å; L795-P821 HydrophobicContact CD2-CG 4Å |
| 796 | H | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 153 | -177.4 | -163.4 | 17.7 | 0 | 0 | 0 | 111.9 | L708 L711 V717 D815 S817 V819 | L708-H796 HydrophobicContact CD1-CB 3.57Å; L708-H796 HydrophobicContact CG-CB 4.18Å; L711-H796 HydrophobicContact CD1-CB 3.88Å; V717-H796 PolarHBondContact N-O 2.62Å; V717-H796 PolarHBondContact O-N 2.88Å; H796-D815 IonicContact CE1-OD2 3.41Å; H796-D815 PolarHBondContact CE1-OD2 3.45Å; H796-S817 PolarHBondContact NE2-O 3Å; H796-V819 HydrophobicContact CB-CG2 3.73Å |
| 797 | R | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.4 | -176.7 | -52.5 | 172.8 | 78.7 | -138.7 | -0.7 | 109.3 | G358 A361 S362 S637 D638 I641 E716 M794 L813 | G358-R797 WeakPolarHBondContact O-CD 3.31Å; G358-R797 PolarHBondContact O-NH1 2.69Å; A361-R797 HydrophobicContact CB-CG 4.31Å; S362-R797 PolarHBondContact OG-NH1 2.95Å; S362-R797 VanDerWaalsContact OG-NH1 3.17Å; S637-R797 PolarHBondContact OG-NH2 2.89Å; D638-R797 PolarHBondContact O-NH1 3.37Å; D638-R797 PolarHBondContact O-NH2 3.42Å; I641-R797 PolarHBondContact O-NH2 3.35Å; E716-R797 HydrophobicContact CB-CG 4.24Å; E716-R797 VanDerWaalsContact CD-NH2 3.3Å; E716-R797 HydrophobicContact CG-CB 4.13Å; E716-R797 HydrophobicContact CG-CG 4.04Å; E716-R797 IonicContact OE1-CZ 3.91Å; E716-R797 IonicContact OE1-NE 3.26Å; E716-R797 IonicContact OE1-NH2 2.73Å; E716-R797 PolarHBondContact OE1-NH2 3.42Å; E716-R797 IonicContact OE2-CZ 3.78Å; E716-R797 IonicContact OE2-NE 2.63Å; E716-R797 PolarHBondContact OE2-NE 2.8Å; E716-R797 IonicContact OE2-NH2 3.55Å; E716-R797 PolarHBondContact OE2-NH2 2.78Å; M794-R797 HydrophobicContact CG-CG 4.11Å; M794-R797 WeakPolarHBondContact SD-CD 3.43Å; M794-R797 HydrophobicContact SD-CG 3.71Å; R797-L813 HydrophobicContact CB-CD2 3.87Å |
| 798 | R | 96.3 | Very high | 94.6 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 118.3 | 172.3 | -175.4 | -177.5 | -177.4 | 178.6 | 4.6 | 109.8 | L711 L713 N714 T715 L813 N814 D815 | L711-R798 HydrophobicContact CB-CB 3.84Å; L711-R798 HydrophobicContact CD1-CB 4.2Å; L711-R798 VanDerWaalsContact O-CD 3.28Å; L711-R798 WeakPolarHBondContact O-CD 3.5Å; L711-R798 PolarHBondContact O-NH1 2.91Å; L713-R798 HydrophobicContact CD1-CG 4.24Å; N714-R798 CarbonylContact C-O 3.5Å; N714-R798 WeakPolarHBondContact CA-O 3.49Å; N714-R798 PolarHBondContact N-O 3.43Å; T715-R798 PolarHBondContact N-O 2.87Å; T715-R798 PolarHBondContact O-N 2.99Å; R798-L813 CarbonylContact C-O 3.36Å; R798-L813 WeakPolarHBondContact CA-O 3.33Å; R798-N814 PolarHBondContact NE-OD1 3.25Å; R798-N814 PolarHBondContact NH2-OD1 2.91Å; R798-D815 WeakPolarHBondContact CD-O 3.34Å; R798-D815 WeakPolarHBondContact CG-O 3.28Å |
| 799 | L | 93.7 | Very high | 94 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -135.7 | 143.5 | -165.1 | -49.6 | 171.4 | 0 | 0 | 0 | 111.3 | A627 D638 E716 L813 N814 | A627-L799 HydrophobicContact CB-CD2 3.31Å; D638-L799 WeakPolarHBondContact O-CD1 3.11Å; E716-L799 HydrophobicContact CG-CD2 3.86Å; L799-L813 HydrophobicContact CB-CB 4.2Å; L799-L813 HydrophobicContact CD1-CB 4.39Å; L799-L813 HydrophobicContact CD1-CD2 4.3Å; L799-L813 HydrophobicContact CG-CB 4.44Å; L799-L813 PolarHBondContact N-O 2.79Å; L799-L813 CarbonylContact O-C 3.57Å; L799-L813 PolarHBondContact O-N 3.28Å; L799-L813 VanDerWaalsContact O-O 3.13Å; L799-N814 PolarHBondContact O-N 2.8Å | ||
| 800 | W | 93.6 | Very high | 93.6 | Very high | 107 Ų | 107 | 44 Ų | 44 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | trans | -141.9 | 126.9 | 168.6 | -167.5 | -85.1 | 0 | 0 | 0 | 109.2 | G629 L713 N714 L807 T812 N814 | G629-W800 WeakPolarHBondContact CA-O 3.37Å; L713-W800 HydrophobicContact CD1-CB 3.81Å; L713-W800 HydrophobicContact CD2-CB 3.86Å; L713-W800 HydrophobicContact CD2-CG 4.45Å; L713-W800 HydrophobicContact CG-CB 3.95Å; N714-W800 PolarHBondContact ND2-O 3.49Å; N714-W800 PolarHBondContact OD1-N 2.97Å; N714-W800 PolarHBondContact OD1-O 2.96Å; W800-L807 HydrophobicContact CZ2-CD2 4.27Å; W800-T812 HydrophobicContact CD2-CG2 4.49Å; W800-T812 HydrophobicContact CE3-CG2 4.47Å; W800-T812 WeakPolarHBondContact CZ3-OG1 3.32Å; W800-N814 HydrophobicContact CE3-CB 3.88Å; W800-N814 HydrophobicContact CZ3-CB 4Å | ||
| 801 | N | 92 | Very high | 93.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -130.7 | 161.6 | -178.7 | 65.5 | 67 | 0 | 0 | 0 | 112.5 | G629 I636 S637 L803 N806 | G629-N801 CarbonylContact O-C 3.59Å; G629-N801 WeakPolarHBondContact O-CA 3.43Å; G629-N801 WeakPolarHBondContact O-CB 3.48Å; I636-N801 HydrophobicContact CD1-CB 3.98Å; S637-N801 PolarHBondContact O-ND2 2.83Å; N801-L803 WeakPolarHBondContact OD1-CB 3.3Å; N801-L803 PolarHBondContact OD1-N 3.05Å; N801-N806 PolarHBondContact ND2-ND2 3.27Å; N801-N806 VanDerWaalsContact ND2-ND2 3.12Å; N801-N806 WeakPolarHBondContact OD1-CB 3.49Å; N801-N806 PolarHBondContact OD1-ND2 3.46Å | ||
| 802 | N | 92.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 35% | 0.353 | 21% | 0.21 | S | C | . | . | trans | -98.1 | 17.7 | -178.6 | 67.3 | -5.6 | 0 | 0 | 0 | 113.8 | G629 D630 V631 Q804 | G629-N802 PolarHBondContact O-N 3.49Å; G629-N802 PolarHBondContact O-OD1 2.76Å; D630-N802 WeakPolarHBondContact CA-OD1 3.48Å; D630-N802 PolarHBondContact OD1-ND2 2.92Å; V631-N802 WeakPolarHBondContact CG1-OD1 3.38Å; V631-N802 WeakPolarHBondContact CG2-OD1 3.3Å; V631-N802 PolarHBondContact N-OD1 2.85Å; N802-Q804 PolarHBondContact O-N 2.79Å | ||
| 803 | L | 91.9 | Very high | 92.4 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | trans | -68.1 | 119.6 | 173.9 | -178.7 | 65.1 | 0 | 0 | 0 | 109.3 | V631 I636 N801 W805 N806 L807 | V631-L803 HydrophobicContact CG1-CB 4.04Å; V631-L803 HydrophobicContact CG1-CD1 4.12Å; I636-L803 HydrophobicContact CD1-CB 3.67Å; I636-L803 HydrophobicContact CD1-CD2 4.07Å; I636-L803 HydrophobicContact CD1-CG 4.4Å; N801-L803 WeakPolarHBondContact OD1-CB 3.3Å; N801-L803 PolarHBondContact OD1-N 3.05Å; L803-W805 HydrophobicContact CD2-CB 4.45Å; L803-W805 HydrophobicContact CG-CB 4.3Å; L803-W805 PolarHBondContact O-N 2.69Å; L803-W805 VanDerWaalsContact O-N 3.14Å; L803-N806 HydrophobicContact CB-CB 4.23Å; L803-N806 PolarHBondContact O-N 3.3Å; L803-L807 PolarHBondContact O-N 3.03Å | ||
| 804 | Q | 91.7 | Very high | 92.1 | Very high | 167 Ų | 167 | 45.8 Ų | 45.8 | 78% | 0.78 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -55.9 | -36.4 | -174.9 | -173.6 | 174.5 | 10.1 | 0 | 0 | 112.9 | N802 L807 G808 | N802-Q804 PolarHBondContact O-N 2.79Å; Q804-L807 PolarHBondContact O-N 3.48Å; Q804-G808 PolarHBondContact O-N 3.46Å |
| 805 | W | 88.9 | Confident | 91.9 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 41% | 0.409 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 176.7 | -176.9 | 88.9 | 0 | 0 | 0 | 112.1 | W39 Y640 L803 L807 G808 Y809 L811 | W39-W805 AromaticContact CH2-CZ2 3.97Å; W39-W805 HydrophobicContact CH2-CZ2 3.97Å; W39-W805 AromaticContact CZ2-CH2 3.76Å; W39-W805 HydrophobicContact CZ2-CH2 3.76Å; W39-W805 AromaticContact CZ2-CZ2 3.6Å; W39-W805 HydrophobicContact CZ2-CZ2 3.6Å; Y640-W805 HydrophobicContact CE2-CH2 4.49Å; Y640-W805 HydrophobicContact CE2-CZ3 4.48Å; L803-W805 HydrophobicContact CD2-CB 4.45Å; L803-W805 HydrophobicContact CG-CB 4.3Å; L803-W805 PolarHBondContact O-N 2.69Å; L803-W805 VanDerWaalsContact O-N 3.14Å; W805-L807 VanDerWaalsContact C-N 3.33Å; W805-L807 PolarHBondContact O-N 2.7Å; W805-G808 PolarHBondContact O-N 3.38Å; W805-Y809 AromaticContact CD1-CD2 3.95Å; W805-Y809 AromaticContact CD1-CE2 3.73Å; W805-Y809 HydrophobicContact CD2-CD2 4.19Å; W805-Y809 AromaticContact CE2-CD2 3.79Å; W805-Y809 HydrophobicContact CG-CD2 4.28Å; W805-Y809 HydrophobicContact CG-CE2 4.48Å; W805-Y809 HydrophobicContact CZ2-CD2 4.28Å; W805-Y809 AromaticContact NE1-CD2 3.64Å; W805-Y809 AromaticContact NE1-CE2 3.4Å; W805-Y809 WeakPolarHBondContact O-CD2 3.48Å; W805-Y809 PolarHBondContact O-N 3.43Å; W805-L811 HydrophobicContact CE3-CD1 4.29Å; W805-L811 HydrophobicContact CH2-CD1 3.26Å; W805-L811 HydrophobicContact CZ2-CD1 3.96Å; W805-L811 HydrophobicContact CZ3-CD1 3.47Å; W805-L811 VanDerWaalsContact CZ3-CD1 3.47Å |
| 806 | N | 89.3 | Confident | 91.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 175.7 | -75.5 | -18 | 0 | 0 | 0 | 111.6 | N801 L803 N810 L811 T812 | N801-N806 PolarHBondContact ND2-ND2 3.27Å; N801-N806 VanDerWaalsContact ND2-ND2 3.12Å; N801-N806 WeakPolarHBondContact OD1-CB 3.49Å; N801-N806 PolarHBondContact OD1-ND2 3.46Å; L803-N806 HydrophobicContact CB-CB 4.23Å; L803-N806 PolarHBondContact O-N 3.3Å; N806-N810 WeakPolarHBondContact O-CA 3.36Å; N806-N810 PolarHBondContact O-N 2.93Å; N806-L811 PolarHBondContact O-N 3.11Å; N806-T812 HydrophobicContact CB-CG2 4.29Å |
| 807 | L | 89.5 | Confident | 91.5 | Very high | 84 Ų | 84 | 52 Ų | 52 | 44% | 0.44 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 178.2 | -66.2 | 176.6 | 0 | 0 | 0 | 112.3 | W800 L803 Q804 W805 Y809 N810 T812 | W800-L807 HydrophobicContact CZ2-CD2 4.27Å; L803-L807 PolarHBondContact O-N 3.03Å; Q804-L807 PolarHBondContact O-N 3.48Å; W805-L807 VanDerWaalsContact C-N 3.33Å; W805-L807 PolarHBondContact O-N 2.7Å; L807-Y809 VanDerWaalsContact C-N 3.34Å; L807-Y809 PolarHBondContact O-N 2.73Å; L807-N810 PolarHBondContact O-N 2.84Å; L807-T812 HydrophobicContact CD2-CG2 4.34Å |
| 808 | G | 87.6 | Confident | 91.5 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.5 | -35.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q804 W805 | Q804-G808 PolarHBondContact O-N 3.46Å; W805-G808 PolarHBondContact O-N 3.38Å |
| 809 | Y | 86.1 | Confident | 91.5 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -101.9 | 1.9 | -179 | -68.3 | -61.9 | 0 | 0 | 0 | 114.6 | V40 W805 L807 L811 | V40-Y809 HydrophobicContact CB-CD1 4.33Å; V40-Y809 HydrophobicContact CG1-CD1 3.42Å; V40-Y809 VanDerWaalsContact CG1-CD1 3.42Å; V40-Y809 HydrophobicContact CG1-CE1 4.13Å; V40-Y809 HydrophobicContact CG1-CG 4.16Å; V40-Y809 HydrophobicContact CG2-CD1 3.95Å; V40-Y809 HydrophobicContact CG2-CG 4.02Å; W805-Y809 AromaticContact CD1-CD2 3.95Å; W805-Y809 AromaticContact CD1-CE2 3.73Å; W805-Y809 HydrophobicContact CD2-CD2 4.19Å; W805-Y809 AromaticContact CE2-CD2 3.79Å; W805-Y809 HydrophobicContact CG-CD2 4.28Å; W805-Y809 HydrophobicContact CG-CE2 4.48Å; W805-Y809 HydrophobicContact CZ2-CD2 4.28Å; W805-Y809 AromaticContact NE1-CD2 3.64Å; W805-Y809 AromaticContact NE1-CE2 3.4Å; W805-Y809 WeakPolarHBondContact O-CD2 3.48Å; W805-Y809 PolarHBondContact O-N 3.43Å; L807-Y809 VanDerWaalsContact C-N 3.34Å; L807-Y809 PolarHBondContact O-N 2.73Å; Y809-L811 VanDerWaalsContact C-N 3.32Å; Y809-L811 PolarHBondContact O-N 3.12Å |
| 810 | N | 88.8 | Confident | 91.6 | Very high | 80 Ų | 80 | 58 Ų | 58 | 43% | 0.428 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 44.8 | -174.1 | -166.9 | 18.2 | 0 | 0 | 0 | 112.8 | P427 N806 L807 T812 | P427-N810 WeakPolarHBondContact CD-O 3.21Å; N806-N810 WeakPolarHBondContact O-CA 3.36Å; N806-N810 PolarHBondContact O-N 2.93Å; L807-N810 PolarHBondContact O-N 2.84Å; N810-T812 VanDerWaalsContact C-N 3.32Å |
| 811 | L | 89.5 | Confident | 91.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -98.1 | 33.9 | 179.5 | -61.9 | 176.3 | 0 | 0 | 0 | 112 | W39 V40 N639 W805 N806 Y809 | W39-L811 HydrophobicContact CZ2-CD1 4.36Å; V40-L811 HydrophobicContact CG2-CD1 4.22Å; N639-L811 VanDerWaalsContact CG-O 3.26Å; N639-L811 PolarHBondContact ND2-O 3.34Å; N639-L811 PolarHBondContact OD1-O 2.93Å; W805-L811 HydrophobicContact CE3-CD1 4.29Å; W805-L811 HydrophobicContact CH2-CD1 3.26Å; W805-L811 HydrophobicContact CZ2-CD1 3.96Å; W805-L811 HydrophobicContact CZ3-CD1 3.47Å; W805-L811 VanDerWaalsContact CZ3-CD1 3.47Å; N806-L811 PolarHBondContact O-N 3.11Å; Y809-L811 VanDerWaalsContact C-N 3.32Å; Y809-L811 PolarHBondContact O-N 3.12Å | ||
| 812 | T | 87.5 | Confident | 92.1 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | -95.3 | 131.4 | 171.9 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | W800 N806 L807 N810 N814 | W800-T812 HydrophobicContact CD2-CG2 4.49Å; W800-T812 HydrophobicContact CE3-CG2 4.47Å; W800-T812 WeakPolarHBondContact CZ3-OG1 3.32Å; N806-T812 HydrophobicContact CB-CG2 4.29Å; L807-T812 HydrophobicContact CD2-CG2 4.34Å; N810-T812 VanDerWaalsContact C-N 3.32Å; T812-N814 VanDerWaalsContact C-N 3.29Å; T812-N814 PolarHBondContact O-N 2.78Å | ||
| 813 | L | 92.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | -79.5 | 64.9 | 179.6 | -167.8 | 63.3 | 0 | 0 | 0 | 112.8 | R363 N639 R797 R798 L799 D815 | R363-L813 HydrophobicContact CG-CD1 3.93Å; N639-L813 WeakPolarHBondContact OD1-CA 3.37Å; N639-L813 VanDerWaalsContact OD1-CB 3.24Å; N639-L813 WeakPolarHBondContact OD1-CB 3.48Å; N639-L813 PolarHBondContact OD1-N 3.37Å; R797-L813 HydrophobicContact CB-CD2 3.87Å; R798-L813 CarbonylContact C-O 3.36Å; R798-L813 WeakPolarHBondContact CA-O 3.33Å; L799-L813 HydrophobicContact CB-CB 4.2Å; L799-L813 HydrophobicContact CD1-CB 4.39Å; L799-L813 HydrophobicContact CD1-CD2 4.3Å; L799-L813 HydrophobicContact CG-CB 4.44Å; L799-L813 PolarHBondContact N-O 2.79Å; L799-L813 CarbonylContact O-C 3.57Å; L799-L813 PolarHBondContact O-N 3.28Å; L799-L813 VanDerWaalsContact O-O 3.13Å; L813-D815 HydrophobicContact CD1-CB 4.25Å; L813-D815 HydrophobicContact CG-CB 4.38Å; L813-D815 PolarHBondContact O-N 3.35Å | ||
| 814 | N | 93.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | trans | -81.3 | 55 | 173.6 | -165.7 | 9.4 | 0 | 0 | 0 | 112.3 | R798 L799 W800 T812 S816 | R798-N814 PolarHBondContact NE-OD1 3.25Å; R798-N814 PolarHBondContact NH2-OD1 2.91Å; L799-N814 PolarHBondContact O-N 2.8Å; W800-N814 HydrophobicContact CE3-CB 3.88Å; W800-N814 HydrophobicContact CZ3-CB 4Å; T812-N814 VanDerWaalsContact C-N 3.29Å; T812-N814 PolarHBondContact O-N 2.78Å; N814-S816 PolarHBondContact O-N 3.41Å | ||
| 815 | D | 92.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | trans | -78.3 | 106 | -179.2 | -168.3 | -10.7 | 0 | 0 | 0 | 111 | H796 R798 L813 S817 | H796-D815 IonicContact CE1-OD2 3.41Å; H796-D815 PolarHBondContact CE1-OD2 3.45Å; R798-D815 WeakPolarHBondContact CD-O 3.34Å; R798-D815 WeakPolarHBondContact CG-O 3.28Å; L813-D815 HydrophobicContact CD1-CB 4.25Å; L813-D815 HydrophobicContact CG-CB 4.38Å; L813-D815 PolarHBondContact O-N 3.35Å; D815-S817 VanDerWaalsContact C-N 3.34Å; D815-S817 WeakPolarHBondContact OD1-CB 3.1Å; D815-S817 PolarHBondContact OD1-N 2.85Å; D815-S817 PolarHBondContact OD1-OG 2.81Å | ||
| 816 | S | 93.3 | Very high | 93.3 | Very high | 67 Ų | 67 | 35.8 Ų | 35.8 | 47% | 0.469 | 20% | 0.2 | S | C | . | . | trans | -90 | 4.5 | 178 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | P710 N814 | P710-S816 WeakPolarHBondContact CB-O 3.27Å; N814-S816 PolarHBondContact O-N 3.41Å | ||
| 817 | S | 95.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 36 Ų | 36 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | trans | -64.6 | 149 | -176.1 | -53 | 0 | 0 | 0 | 0 | 112.6 | H796 D815 | H796-S817 PolarHBondContact NE2-O 3Å; D815-S817 VanDerWaalsContact C-N 3.34Å; D815-S817 WeakPolarHBondContact OD1-CB 3.1Å; D815-S817 PolarHBondContact OD1-N 2.85Å; D815-S817 PolarHBondContact OD1-OG 2.81Å | ||
| 818 | V | 95.3 | Very high | 93.9 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 32% | 0.315 | 18% | 0.182 | S | C | . | . | trans | -88.5 | 107.4 | 164.6 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | L708 G709 P710 | L708-V818 WeakPolarHBondContact O-CA 3.38Å; G709-V818 WeakPolarHBondContact O-CG2 3.34Å; P710-V818 HydrophobicContact CG-CG2 4.39Å | ||
| 819 | V | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 147 | -177.2 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | N364 V365 S707 L708 H796 | N364-V819 HydrophobicContact CB-CB 4.38Å; N364-V819 HydrophobicContact CB-CG1 3.96Å; V365-V819 HydrophobicContact CG2-CG1 3.9Å; S707-V819 WeakPolarHBondContact CA-O 3.42Å; L708-V819 HydrophobicContact CD1-CG2 4.29Å; L708-V819 HydrophobicContact CD2-CG2 3.56Å; L708-V819 HydrophobicContact CG-CG2 3.57Å; L708-V819 PolarHBondContact N-O 2.81Å; L708-V819 VanDerWaalsContact N-O 3.14Å; L708-V819 PolarHBondContact O-N 3.05Å; H796-V819 HydrophobicContact CB-CG2 3.73Å |
| 820 | R | 96.7 | Very high | 94.7 | Very high | 123 Ų | 123 | 27 Ų | 27 | 46% | 0.464 | 15% | 0.148 | S | C | . | . | trans | -133.5 | 69.1 | -179.1 | -63.1 | -179 | -178.5 | 81.7 | -2.3 | 112.6 | Y706 R779 | Y706-R820 WeakPolarHBondContact O-CA 3.24Å; R779-R820 PolarHBondContact NH2-O 2.8Å; R779-R820 VanDerWaalsContact NH2-O 3.17Å | ||
| 821 | P | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -71.2 | 153.2 | 175.4 | 30 | -32.2 | 0 | 0 | 0 | 110.9 | Y706 L708 L795 | Y706-P821 HydrophobicContact CD2-CG 4.38Å; Y706-P821 PolarHBondContact N-O 2.86Å; L708-P821 HydrophobicContact CD2-CG 4.39Å; L795-P821 HydrophobicContact CD2-CG 4Å | ||
| 822 | T | 97.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.8 | 174.4 | -63.1 | 0 | 0 | 0 | 0 | 109.8 | E703 Q704 T705 D778 | E703-T822 HydrophobicContact CG-CG2 3.82Å; Q704-T822 CarbonylContact O-C 3.15Å; Q704-T822 WeakPolarHBondContact O-CA 3.43Å; T705-T822 PolarHBondContact OG1-OG1 3.32Å; D778-T822 PolarHBondContact N-O 2.87Å; D778-T822 PolarHBondContact OD1-N 2.88Å |
| 823 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 142.1 | 173.9 | -52.3 | 178.5 | 0 | 0 | 0 | 110.4 | Q704 Y706 L719 M760 L775 L776 S777 V793 | Q704-L823 PolarHBondContact N-O 2.83Å; Q704-L823 PolarHBondContact O-N 3.4Å; Y706-L823 HydrophobicContact CD2-CD1 4.48Å; Y706-L823 HydrophobicContact CD2-CG 4.28Å; Y706-L823 HydrophobicContact CE2-CB 3.84Å; Y706-L823 HydrophobicContact CE2-CD1 3.67Å; Y706-L823 HydrophobicContact CE2-CG 3.6Å; L719-L823 HydrophobicContact CD2-CD1 3.76Å; M760-L823 HydrophobicContact CE-CD2 4.2Å; L775-L823 HydrophobicContact CD1-CD1 4.44Å; L776-L823 CarbonylContact O-C 3.59Å; L776-L823 WeakPolarHBondContact O-CA 3.37Å; S777-L823 WeakPolarHBondContact OG-CD2 3.48Å; V793-L823 HydrophobicContact CG2-CD1 4.5Å |
| 824 | W | 97.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 8% | 0.076 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.2 | 166.6 | -70.7 | -1.7 | 0 | 0 | 0 | 109.6 | L702 E703 L775 L776 G840 E843 L844 R847 | L702-W824 WeakPolarHBondContact O-CA 3.34Å; E703-W824 PolarHBondContact OE2-NE1 3.4Å; L775-W824 WeakPolarHBondContact CA-O 3.22Å; L776-W824 HydrophobicContact CB-CB 4.14Å; L776-W824 HydrophobicContact CD1-CB 4.22Å; L776-W824 HydrophobicContact CD1-CE3 4.07Å; L776-W824 HydrophobicContact CG-CB 4.28Å; L776-W824 PolarHBondContact N-O 3.29Å; L776-W824 PolarHBondContact O-N 2.97Å; W824-G840 WeakPolarHBondContact CZ3-O 3.43Å; W824-E843 HydrophobicContact CH2-CB 4.2Å; W824-E843 HydrophobicContact CZ3-CB 4.14Å; W824-L844 HydrophobicContact CD2-CB 4.17Å; W824-L844 HydrophobicContact CD2-CD1 4.19Å; W824-L844 HydrophobicContact CD2-CD2 4.23Å; W824-L844 HydrophobicContact CD2-CG 4.45Å; W824-L844 HydrophobicContact CE3-CB 4.01Å; W824-L844 HydrophobicContact CG-CD1 4.49Å; W824-L844 HydrophobicContact CG-CD2 4.16Å; W824-L844 HydrophobicContact CH2-CB 4.02Å; W824-L844 HydrophobicContact CZ2-CB 4.21Å; W824-L844 HydrophobicContact CZ2-CD1 3.96Å; W824-L844 HydrophobicContact CZ3-CB 3.93Å; W824-R847 VanDerWaalsContact NE1-NH2 3.12Å |
| 825 | M | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.6 | 174.9 | -174.2 | 177 | 76.1 | 0 | 0 | 110.4 | L604 M618 L702 L773 V774 L775 | L604-M825 HydrophobicContact CD2-CE 4.42Å; M618-M825 HydrophobicContact SD-CE 4.22Å; M618-M825 HydrophobicContact SD-SD 4.42Å; L702-M825 HydrophobicContact CB-CB 4.29Å; L702-M825 HydrophobicContact CD1-CE 3.49Å; L702-M825 VanDerWaalsContact CD1-CE 3.49Å; L702-M825 PolarHBondContact N-O 2.93Å; L702-M825 PolarHBondContact O-N 3.17Å; L773-M825 HydrophobicContact CD1-CG 3.61Å; L773-M825 HydrophobicContact CD1-SD 3.76Å; V774-M825 WeakPolarHBondContact O-CA 3.34Å; L775-M825 HydrophobicContact CD2-CB 3.96Å; L775-M825 HydrophobicContact CD2-CG 3.98Å |
| 826 | I | 97.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.7 | 175.4 | -54.2 | 174.7 | 0 | 0 | 0 | 108.4 | H700 V774 L776 T833 L836 | H700-I826 HydrophobicContact CB-CG2 4.39Å; V774-I826 HydrophobicContact CB-CB 4.27Å; V774-I826 PolarHBondContact N-O 2.91Å; V774-I826 PolarHBondContact O-N 3.44Å; L776-I826 HydrophobicContact CD1-CD1 3.95Å; I826-T833 HydrophobicContact CG2-CG2 4.15Å; I826-L836 HydrophobicContact CD1-CB 4.46Å; I826-L836 HydrophobicContact CG2-CD1 4.41Å |
| 827 | L | 96.1 | Very high | 96 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.6 | 176.8 | -176.8 | 71.1 | 0 | 0 | 0 | 109.5 | Y593 A607 I616 M618 L773 | Y593-L827 HydrophobicContact CE1-CB 4.04Å; Y593-L827 WeakPolarHBondContact CE1-O 3.47Å; Y593-L827 PolarHBondContact OH-N 2.96Å; Y593-L827 PolarHBondContact OH-O 3.33Å; A607-L827 HydrophobicContact CB-CD2 3.62Å; I616-L827 HydrophobicContact CB-CD1 4.49Å; I616-L827 HydrophobicContact CB-CD2 4.2Å; I616-L827 HydrophobicContact CG1-CD1 4.13Å; I616-L827 HydrophobicContact CG1-CD2 4.24Å; M618-L827 HydrophobicContact CE-CD1 3.97Å; M618-L827 HydrophobicContact CE-CD2 3.69Å; M618-L827 HydrophobicContact CE-CG 4.4Å; L773-L827 HydrophobicContact CB-CD1 4.2Å; L773-L827 HydrophobicContact CD1-CD1 4.36Å |
| 828 | G | 95.4 | Very high | 96 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.3 | -167 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S771 R772 | S771-G828 CarbonylContact C-O 3.49Å; S771-G828 WeakPolarHBondContact CA-O 3.17Å; R772-G828 PolarHBondContact N-O 3.35Å; R772-G828 PolarHBondContact O-N 3.46Å |
| 829 | S | 95.1 | Very high | 96 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 11% | 0.112 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 158.8 | 171.1 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | E612 I770 G831 A832 T833 | E612-S829 VanDerWaalsContact OE1-CB 3.23Å; E612-S829 WeakPolarHBondContact OE1-CB 3.42Å; E612-S829 PolarHBondContact OE1-OG 2.94Å; E612-S829 WeakPolarHBondContact OE2-CB 3.17Å; I770-S829 WeakPolarHBondContact O-CA 3.46Å; I770-S829 WeakPolarHBondContact O-CB 3.35Å; S829-G831 VanDerWaalsContact C-N 3.25Å; S829-G831 PolarHBondContact O-N 3.43Å; S829-A832 PolarHBondContact O-N 2.93Å; S829-A832 WeakPolarHBondContact OG-CB 3.35Å; S829-A832 PolarHBondContact OG-N 3.36Å; S829-T833 WeakPolarHBondContact O-CG2 3.03Å; S829-T833 PolarHBondContact O-N 3.06Å; S829-T833 PolarHBondContact O-OG1 3.46Å |
| 830 | V | 95.4 | Very high | 96 | Very high | 38 Ų | 38 | 23.8 Ų | 23.8 | 23% | 0.23 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -50.7 | -48.2 | 173.9 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | I770 R772 T833 S834 | I770-V830 PolarHBondContact O-N 3.42Å; R772-V830 PolarHBondContact NH1-O 2.95Å; V830-T833 PolarHBondContact O-OG1 3.16Å; V830-T833 VanDerWaalsContact O-OG1 3.05Å; V830-S834 WeakPolarHBondContact O-CB 3.24Å; V830-S834 PolarHBondContact O-N 3.18Å; V830-S834 PolarHBondContact O-OG 2.94Å; V830-S834 VanDerWaalsContact O-OG 3.08Å |
| 831 | G | 94.1 | Very high | 96 | Very high | 37 Ų | 37 | 18.1 Ų | 18.1 | 38% | 0.381 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S829 | S829-G831 VanDerWaalsContact C-N 3.25Å; S829-G831 PolarHBondContact O-N 3.43Å |
| 832 | A | 93.4 | Very high | 96 | Very high | 20 Ų | 20 | 18.1 Ų | 18.1 | 17% | 0.165 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.6 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S829 L836 | S829-A832 PolarHBondContact O-N 2.93Å; S829-A832 WeakPolarHBondContact OG-CB 3.35Å; S829-A832 PolarHBondContact OG-N 3.36Å; A832-L836 WeakPolarHBondContact O-CD1 3.42Å; A832-L836 WeakPolarHBondContact O-CG 2.92Å |
| 833 | T | 95.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.9 | -38.5 | -178.1 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | R772 V774 I826 S829 V830 K835 L836 Y837 | R772-T833 HydrophobicContact CB-CG2 4.24Å; R772-T833 WeakPolarHBondContact CD-OG1 3.24Å; R772-T833 PolarHBondContact NH1-OG1 3.04Å; R772-T833 VanDerWaalsContact NH1-OG1 3.13Å; V774-T833 HydrophobicContact CG2-CG2 4.39Å; I826-T833 HydrophobicContact CG2-CG2 4.15Å; S829-T833 WeakPolarHBondContact O-CG2 3.03Å; S829-T833 PolarHBondContact O-N 3.06Å; S829-T833 PolarHBondContact O-OG1 3.46Å; V830-T833 PolarHBondContact O-OG1 3.16Å; V830-T833 VanDerWaalsContact O-OG1 3.05Å; T833-K835 PolarHBondContact O-N 2.82Å; T833-L836 PolarHBondContact O-N 3.44Å; T833-Y837 VanDerWaalsContact O-CD1 3.3Å; T833-Y837 WeakPolarHBondContact O-CD1 3.34Å; T833-Y837 PolarHBondContact O-N 3.23Å; T833-Y837 VanDerWaalsContact O-N 3.12Å |
| 834 | S | 95.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -51.7 | -41.8 | 176.2 | -74.2 | 0 | 0 | 0 | 0 | 111.8 | R772 V830 L836 F926 E930 | R772-S834 PolarHBondContact NH1-OG 3.42Å; V830-S834 WeakPolarHBondContact O-CB 3.24Å; V830-S834 PolarHBondContact O-N 3.18Å; V830-S834 PolarHBondContact O-OG 2.94Å; V830-S834 VanDerWaalsContact O-OG 3.08Å; S834-L836 PolarHBondContact O-N 3.25Å; S834-F926 WeakPolarHBondContact O-CE1 3.04Å; S834-E930 WeakPolarHBondContact CB-O 3.26Å; S834-E930 PolarHBondContact OG-O 2.9Å; S834-E930 VanDerWaalsContact OG-O 3.07Å |
| 835 | K | 94.7 | Very high | 95.7 | Very high | 109 Ų | 109 | 17.8 Ų | 17.8 | 47% | 0.474 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -67.9 | -19.4 | 179.7 | -63.3 | 177 | -178.2 | -177.3 | 0 | 114.6 | T833 D931 L934 | T833-K835 PolarHBondContact O-N 2.82Å; K835-D931 WeakPolarHBondContact CE-OD2 3.29Å; K835-D931 WeakPolarHBondContact CG-OD2 3.49Å; K835-L934 HydrophobicContact CB-CD1 4.02Å; K835-L934 HydrophobicContact CG-CD1 3.94Å |
| 836 | L | 94.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 17.6 Ų | 17.6 | 14% | 0.141 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -107.9 | -40.6 | -165.4 | -66.5 | 173.2 | 0 | 0 | 0 | 113 | P697 H700 I826 A832 T833 S834 G840 | P697-L836 HydrophobicContact CB-CD2 3.95Å; H700-L836 HydrophobicContact CB-CD1 3.81Å; I826-L836 HydrophobicContact CD1-CB 4.46Å; I826-L836 HydrophobicContact CG2-CD1 4.41Å; A832-L836 WeakPolarHBondContact O-CD1 3.42Å; A832-L836 WeakPolarHBondContact O-CG 2.92Å; T833-L836 PolarHBondContact O-N 3.44Å; S834-L836 PolarHBondContact O-N 3.25Å; L836-G840 WeakPolarHBondContact O-CA 3.38Å; L836-G840 PolarHBondContact O-N 3.09Å |
| 837 | Y | 96.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.7 | -40.5 | -163.9 | 76.2 | -105.3 | 0 | 0 | 0 | 113.6 | M740 T763 Y765 V774 T833 R839 G840 A841 E930 | M740-Y837 HydrophobicContact CG-CE2 4.15Å; M740-Y837 WeakPolarHBondContact CG-OH 3.23Å; M740-Y837 HydrophobicContact SD-CE2 4.15Å; T763-Y837 HydrophobicContact CG2-CD2 3.85Å; T763-Y837 HydrophobicContact CG2-CE2 4.32Å; T763-Y837 HydrophobicContact CG2-CG 4.49Å; Y765-Y837 HydrophobicContact CE1-CE1 4.39Å; V774-Y837 HydrophobicContact CG1-CG 4.46Å; T833-Y837 VanDerWaalsContact O-CD1 3.3Å; T833-Y837 WeakPolarHBondContact O-CD1 3.34Å; T833-Y837 PolarHBondContact O-N 3.23Å; T833-Y837 VanDerWaalsContact O-N 3.12Å; Y837-R839 PolarHBondContact O-N 2.67Å; Y837-G840 PolarHBondContact O-N 2.77Å; Y837-A841 WeakPolarHBondContact O-CB 3.48Å; Y837-A841 PolarHBondContact O-N 2.93Å; Y837-E930 WeakPolarHBondContact CE1-OE1 3.45Å; Y837-E930 VanDerWaalsContact OH-CD 3.3Å; Y837-E930 PolarHBondContact OH-OE1 3.34Å |
| 838 | Q | 95.3 | Very high | 95.6 | Very high | 15 Ų | 15 | 22.2 Ų | 22.2 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.6 | -51 | -179.6 | -63.8 | -69.7 | 5.5 | 0 | 0 | 110.7 | A841 V842 L925 E930 | Q838-A841 PolarHBondContact O-N 3.43Å; Q838-V842 PolarHBondContact O-N 2.78Å; Q838-L925 HydrophobicContact CB-CB 4.18Å; Q838-E930 WeakPolarHBondContact CG-OE1 3.35Å; Q838-E930 PolarHBondContact NE2-OE1 3.44Å; Q838-E930 PolarHBondContact NE2-OE2 3.37Å |
| 839 | R | 95.3 | Very high | 95.6 | Very high | 58 Ų | 58 | 22.3 Ų | 22.3 | 22% | 0.219 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.2 | -179.1 | 172 | 164.9 | 168.1 | 0.4 | 111.7 | W489 N490 Y837 A841 V842 E843 L925 | W489-R839 HydrophobicContact CD2-CG 4.47Å; W489-R839 HydrophobicContact CE3-CG 3.94Å; W489-R839 HydrophobicContact CH2-CG 4.02Å; W489-R839 HydrophobicContact CZ3-CG 3.71Å; N490-R839 PolarHBondContact O-NH2 3Å; Y837-R839 PolarHBondContact O-N 2.67Å; R839-A841 VanDerWaalsContact C-N 3.29Å; R839-A841 PolarHBondContact O-N 3.42Å; R839-V842 PolarHBondContact O-N 3.11Å; R839-E843 HydrophobicContact CG-CG 4.41Å; R839-E843 WeakPolarHBondContact CG-OE1 3.36Å; R839-E843 IonicContact CZ-OE1 2.74Å; R839-E843 IonicContact NE-OE1 2.72Å; R839-E843 PolarHBondContact NE-OE1 2.87Å; R839-E843 IonicContact NH2-OE1 3.14Å; R839-E843 PolarHBondContact NH2-OE1 2.85Å; R839-E843 WeakPolarHBondContact O-CG 3.4Å; R839-E843 PolarHBondContact O-N 3.45Å; R839-L925 HydrophobicContact CB-CD1 4.37Å |
| 840 | G | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L776 W824 L836 Y837 E843 L844 | L776-G840 VanDerWaalsContact CD1-C 3.49Å; W824-G840 WeakPolarHBondContact CZ3-O 3.43Å; L836-G840 WeakPolarHBondContact O-CA 3.38Å; L836-G840 PolarHBondContact O-N 3.09Å; Y837-G840 PolarHBondContact O-N 2.77Å; G840-E843 PolarHBondContact O-N 2.94Å; G840-L844 WeakPolarHBondContact O-CB 3.31Å; G840-L844 PolarHBondContact O-N 3.24Å |
| 841 | A | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R762 L776 Y837 Q838 R839 L844 Q845 | R762-A841 HydrophobicContact CB-CB 4.15Å; L776-A841 HydrophobicContact CD2-CB 4.39Å; Y837-A841 WeakPolarHBondContact O-CB 3.48Å; Y837-A841 PolarHBondContact O-N 2.93Å; Q838-A841 PolarHBondContact O-N 3.43Å; R839-A841 VanDerWaalsContact C-N 3.29Å; R839-A841 PolarHBondContact O-N 3.42Å; A841-L844 PolarHBondContact O-N 3.2Å; A841-Q845 PolarHBondContact O-N 3.1Å |
| 842 | V | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 173.7 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | L487 W489 Q838 R839 L844 Q845 H846 H881 L925 | L487-V842 HydrophobicContact CD2-CG1 3.68Å; W489-V842 HydrophobicContact CH2-CB 4.04Å; W489-V842 HydrophobicContact CH2-CG1 3.79Å; W489-V842 HydrophobicContact CH2-CG2 4.47Å; W489-V842 HydrophobicContact CZ3-CB 4.01Å; W489-V842 HydrophobicContact CZ3-CG1 3.69Å; Q838-V842 PolarHBondContact O-N 2.78Å; R839-V842 PolarHBondContact O-N 3.11Å; V842-L844 VanDerWaalsContact C-N 3.3Å; V842-L844 PolarHBondContact O-N 2.69Å; V842-Q845 PolarHBondContact O-N 3.47Å; V842-H846 PolarHBondContact O-N 3.42Å; V842-H881 VanDerWaalsContact CG1-CE1 3.41Å; V842-H881 WeakPolarHBondContact CG1-CE1 2.9Å; V842-L925 HydrophobicContact CG2-CD2 4.07Å |
| 843 | E | 96.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 7% | 0.065 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.5 | -31.3 | 175.7 | -73.1 | -177.3 | -152.5 | 0 | 0 | 113.1 | L487 W489 R701 W824 R839 G840 R847 | L487-E843 HydrophobicContact CD1-CB 4.35Å; L487-E843 HydrophobicContact CD1-CG 3.71Å; W489-E843 HydrophobicContact CE3-CG 4.34Å; W489-E843 HydrophobicContact CZ3-CG 4.31Å; R701-E843 IonicContact CZ-OE2 2.79Å; R701-E843 IonicContact NH1-OE2 3.72Å; R701-E843 PolarHBondContact NH1-OE2 2.92Å; R701-E843 VanDerWaalsContact NH2-CD 3.33Å; R701-E843 IonicContact NH2-OE1 3.69Å; R701-E843 PolarHBondContact NH2-OE1 2.67Å; R701-E843 IonicContact NH2-OE2 2.74Å; R701-E843 PolarHBondContact NH2-OE2 3Å; W824-E843 HydrophobicContact CH2-CB 4.2Å; W824-E843 HydrophobicContact CZ3-CB 4.14Å; R839-E843 HydrophobicContact CG-CG 4.41Å; R839-E843 WeakPolarHBondContact CG-OE1 3.36Å; R839-E843 IonicContact CZ-OE1 2.74Å; R839-E843 IonicContact NE-OE1 2.72Å; R839-E843 PolarHBondContact NE-OE1 2.87Å; R839-E843 IonicContact NH2-OE1 3.14Å; R839-E843 PolarHBondContact NH2-OE1 2.85Å; R839-E843 WeakPolarHBondContact O-CG 3.4Å; R839-E843 PolarHBondContact O-N 3.45Å; G840-E843 PolarHBondContact O-N 2.94Å; E843-R847 WeakPolarHBondContact O-CG 3.28Å; E843-R847 PolarHBondContact O-N 2.86Å |
| 844 | L | 96.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.4 | -40 | 172.3 | 177 | 53.7 | 0 | 0 | 0 | 111.6 | L776 S777 D778 W824 G840 A841 V842 | L776-L844 HydrophobicContact CB-CD2 3.83Å; S777-L844 VanDerWaalsContact C-CD2 3.4Å; D778-L844 HydrophobicContact CB-CD1 4.24Å; D778-L844 HydrophobicContact CB-CG 4.43Å; W824-L844 HydrophobicContact CD2-CB 4.17Å; W824-L844 HydrophobicContact CD2-CD1 4.19Å; W824-L844 HydrophobicContact CD2-CD2 4.23Å; W824-L844 HydrophobicContact CD2-CG 4.45Å; W824-L844 HydrophobicContact CE3-CB 4.01Å; W824-L844 HydrophobicContact CG-CD1 4.49Å; W824-L844 HydrophobicContact CG-CD2 4.16Å; W824-L844 HydrophobicContact CH2-CB 4.02Å; W824-L844 HydrophobicContact CZ2-CB 4.21Å; W824-L844 HydrophobicContact CZ2-CD1 3.96Å; W824-L844 HydrophobicContact CZ3-CB 3.93Å; G840-L844 WeakPolarHBondContact O-CB 3.31Å; G840-L844 PolarHBondContact O-N 3.24Å; A841-L844 PolarHBondContact O-N 3.2Å; V842-L844 VanDerWaalsContact C-N 3.3Å; V842-L844 PolarHBondContact O-N 2.69Å |
| 845 | Q | 96.1 | Very high | 93 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | 177.3 | 175.9 | 55.9 | 9.7 | 0 | 0 | 112 | R371 S375 A841 V842 | R371-Q845 VanDerWaalsContact NH2-CD 3.27Å; R371-Q845 PolarHBondContact O-NE2 2.74Å; S375-Q845 WeakPolarHBondContact CB-O 3.25Å; S375-Q845 PolarHBondContact OG-O 3.46Å; A841-Q845 PolarHBondContact O-N 3.1Å; V842-Q845 PolarHBondContact O-N 3.47Å |
| 846 | H | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 58.5 | -173.6 | -64.9 | -50.4 | 0 | 0 | 0 | 111.7 | E121 H378 P486 L487 V842 | E121-H846 IonicContact OE1-NE2 3.74Å; E121-H846 IonicContact OE2-CD2 2.77Å; E121-H846 IonicContact OE2-CE1 2.73Å; E121-H846 PolarHBondContact OE2-CE1 2.77Å; E121-H846 IonicContact OE2-NE2 3.69Å; E121-H846 PolarHBondContact OE2-NE2 3.43Å; H378-H846 WeakPolarHBondContact CB-CE1 3.43Å; H378-H846 AromaticContact CD2-CD2 4Å; H378-H846 AromaticContact CD2-CE1 3.86Å; H378-H846 AromaticContact CD2-CG 3.81Å; H378-H846 AromaticContact CD2-ND1 3.75Å; H378-H846 AromaticContact CG-CE1 3.52Å; H378-H846 AromaticContact CG-ND1 3.8Å; H378-H846 AromaticContact CG-NE2 3.85Å; P486-H846 HydrophobicContact CG-CB 4.24Å; L487-H846 HydrophobicContact CD1-CB 4.48Å; L487-H846 HydrophobicContact CD2-CB 3.74Å; L487-H846 HydrophobicContact CG-CB 4.09Å; V842-H846 PolarHBondContact O-N 3.42Å |
| 847 | R | 94.1 | Very high | 90.8 | Very high | 85 Ų | 85 | 36.2 Ų | 36.2 | 32% | 0.321 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -59.6 | 155.5 | 174.2 | -68.1 | -179.3 | -175.4 | -141.5 | -0.7 | 111.1 | E703 W824 E843 F849 | E703-R847 IonicContact OE1-NH1 3.73Å; E703-R847 IonicContact OE2-CZ 2.77Å; E703-R847 IonicContact OE2-NH1 3.78Å; E703-R847 PolarHBondContact OE2-NH1 3.2Å; E703-R847 IonicContact OE2-NH2 2.74Å; E703-R847 PolarHBondContact OE2-NH2 3.14Å; W824-R847 VanDerWaalsContact NE1-NH2 3.12Å; E843-R847 WeakPolarHBondContact O-CG 3.28Å; E843-R847 PolarHBondContact O-N 2.86Å; R847-F849 PolarHBondContact O-N 3.49Å |
| 848 | P | 95.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -51.9 | 134.2 | 174.5 | -26.5 | 34.2 | 0 | 0 | 0 | 112.7 | V483 Y484 I491 L536 | V483-P848 HydrophobicContact CG1-CB 3.71Å; Y484-P848 CarbonylContact O-C 3.49Å; Y484-P848 WeakPolarHBondContact O-CA 3.11Å; I491-P848 HydrophobicContact CD1-CG 3.63Å; L536-P848 HydrophobicContact CD1-CB 4.23Å; L536-P848 HydrophobicContact CD1-CG 4.32Å |
| 849 | F | 95.7 | Very high | 87.7 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 128.9 | 170.4 | -179.1 | -99.4 | 0 | 0 | 0 | 108.9 | A379 E445 L448 F452 V483 Y484 R847 M851 | A379-F849 HydrophobicContact CB-CB 4.43Å; E445-F849 HydrophobicContact CG-CE2 4.33Å; E445-F849 HydrophobicContact CG-CZ 4.41Å; L448-F849 HydrophobicContact CB-CE1 4.07Å; L448-F849 HydrophobicContact CB-CZ 4.23Å; L448-F849 HydrophobicContact CD1-CD1 4.12Å; L448-F849 HydrophobicContact CD1-CD2 3.94Å; L448-F849 HydrophobicContact CD1-CE1 3.74Å; L448-F849 HydrophobicContact CD1-CE2 3.6Å; L448-F849 HydrophobicContact CD1-CG 4.21Å; L448-F849 HydrophobicContact CD1-CZ 3.49Å; L448-F849 VanDerWaalsContact CD1-CZ 3.49Å; L448-F849 HydrophobicContact CG-CE1 4.42Å; L448-F849 HydrophobicContact CG-CZ 4.47Å; F452-F849 HydrophobicContact CE2-CD1 4.27Å; F452-F849 HydrophobicContact CE2-CE1 4.27Å; V483-F849 CarbonylContact C-O 3.54Å; V483-F849 WeakPolarHBondContact CA-O 3.42Å; Y484-F849 HydrophobicContact CD1-CB 4.47Å; Y484-F849 PolarHBondContact N-O 3.4Å; Y484-F849 PolarHBondContact O-N 3.23Å; R847-F849 PolarHBondContact O-N 3.49Å; F849-M851 HydrophobicContact CD1-CB 4.31Å; F849-M851 HydrophobicContact CE1-CB 3.64Å; F849-M851 HydrophobicContact CE1-CE 4.26Å; F849-M851 HydrophobicContact CE1-CG 4.45Å; F849-M851 HydrophobicContact CE1-SD 4.26Å; F849-M851 HydrophobicContact CZ-CB 4.3Å; F849-M851 HydrophobicContact CZ-CE 4.21Å |
| 850 | V | 95 | Very high | 85.7 | Confident | 44 Ų | 44 | 48.7 Ų | 48.7 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.3 | -176.7 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | V481 I482 V483 V495 M497 | V481-V850 HydrophobicContact CG1-CG1 3.58Å; I482-V850 WeakPolarHBondContact O-CA 3.32Å; V483-V850 HydrophobicContact CG1-CG2 4.21Å; V495-V850 HydrophobicContact CG1-CG1 3.89Å; V495-V850 HydrophobicContact CG1-CG2 3.78Å; V495-V850 HydrophobicContact CG2-CG2 4.19Å; M497-V850 HydrophobicContact SD-CG1 4.39Å |
| 851 | M | 91.9 | Very high | 83.3 | Confident | 25 Ų | 25 | 58 Ų | 58 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 110.9 | -178.5 | 176.3 | 172.4 | -104.7 | 0 | 0 | 111 | A449 F452 V481 I482 F849 I853 | A449-M851 HydrophobicContact CB-CE 3.55Å; A449-M851 HydrophobicContact CB-SD 4.09Å; F452-M851 HydrophobicContact CD2-SD 3.95Å; V481-M851 WeakPolarHBondContact CA-O 3.48Å; I482-M851 PolarHBondContact N-O 3.42Å; I482-M851 PolarHBondContact O-N 3.19Å; F849-M851 HydrophobicContact CD1-CB 4.31Å; F849-M851 HydrophobicContact CE1-CB 3.64Å; F849-M851 HydrophobicContact CE1-CE 4.26Å; F849-M851 HydrophobicContact CE1-CG 4.45Å; F849-M851 HydrophobicContact CE1-SD 4.26Å; F849-M851 HydrophobicContact CZ-CB 4.3Å; F849-M851 HydrophobicContact CZ-CE 4.21Å; M851-I853 HydrophobicContact CG-CG2 4.11Å; M851-I853 PolarHBondContact O-N 3.15Å |
| 852 | P | 89.6 | Confident | 80.8 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128.5 | 163.5 | -14.6 | 29.5 | 0 | 0 | 0 | 109.5 | M497 | M497-P852 HydrophobicContact CE-CG 4.29Å |
| 853 | I | 83.4 | Confident | 78.1 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 21% | 0.205 | 36% | 0.356 | C | S | . | . | trans | -104.6 | -12.6 | -173.9 | 58.9 | 169.7 | 0 | 0 | 0 | 114.1 | L453 H480 I482 K543 M851 | L453-I853 HydrophobicContact CD2-CB 3.84Å; L453-I853 HydrophobicContact CD2-CD1 4.49Å; L453-I853 HydrophobicContact CD2-CG2 3.78Å; H480-I853 HydrophobicContact CB-CD1 3.73Å; H480-I853 HydrophobicContact CB-CG1 3.55Å; H480-I853 WeakPolarHBondContact O-CG1 3.45Å; H480-I853 PolarHBondContact O-N 2.85Å; I482-I853 HydrophobicContact CB-CG2 4.47Å; I482-I853 HydrophobicContact CD1-CD1 4.29Å; I482-I853 HydrophobicContact CD1-CG2 3.73Å; I482-I853 HydrophobicContact CG1-CD1 4.29Å; I482-I853 HydrophobicContact CG1-CG2 3.9Å; K543-I853 HydrophobicContact CD-CD1 4.4Å; M851-I853 HydrophobicContact CG-CG2 4.11Å; M851-I853 PolarHBondContact O-N 3.15Å | ||
| 854 | D | 78.8 | Confident | 75.7 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 32% | 0.316 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -143 | 171.6 | 174.2 | 58.6 | 5.3 | 0 | 0 | 0 | 111.1 | Q479 H480 | Q479-D854 WeakPolarHBondContact CA-OD1 3.37Å; Q479-D854 WeakPolarHBondContact CG-OD1 3.11Å; Q479-D854 PolarHBondContact NE2-O 3.12Å; H480-D854 IonicContact CE1-OD2 3.46Å; H480-D854 IonicContact CG-OD2 3.91Å; H480-D854 PolarHBondContact N-OD1 3.01Å; H480-D854 IonicContact ND1-OD1 2.63Å; H480-D854 IonicContact ND1-OD2 2.84Å; H480-D854 PolarHBondContact ND1-OD2 3.37Å |
| 855 | R | 75.8 | Confident | 73.1 | Confident | 224 Ų | 224 | 84.6 Ų | 84.6 | 85% | 0.845 | 41% | 0.407 | S | S | * | . | trans | -90.2 | 150.3 | 171.9 | -67.4 | -174.7 | 178.9 | -174.8 | -0 | 109.3 | G857 | R855-G857 PolarHBondContact O-N 2.73Š| ||
| 856 | P | 74.3 | Confident | 70.6 | Confident | 56 Ų | 56 | 95.1 Ų | 95.1 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -51 | 115 | 173.6 | -25.5 | 33.6 | 0 | 0 | 0 | 111.1 | L477 E478 Q479 F548 | L477-P856 HydrophobicContact CB-CB 4.2Å; L477-P856 HydrophobicContact CD1-CB 4.48Å; E478-P856 WeakPolarHBondContact O-CA 3.43Å; Q479-P856 HydrophobicContact CB-CG 4.33Å; F548-P856 HydrophobicContact CD2-CB 4.14Å; F548-P856 HydrophobicContact CD2-CG 4.43Å; F548-P856 HydrophobicContact CE2-CB 4.02Å; F548-P856 HydrophobicContact CE2-CG 3.87Å |
| 857 | G | 69.4 | Low | 68.3 | Low | 28 Ų | 28 | 99.7 Ų | 99.7 | 29% | 0.289 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 172.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L477 E478 R855 A859 | L477-G857 CarbonylContact C-O 3.55Å; L477-G857 WeakPolarHBondContact CA-O 3.41Å; E478-G857 PolarHBondContact N-O 3.48Å; E478-G857 PolarHBondContact O-N 3.47Å; R855-G857 PolarHBondContact O-N 2.73Å; G857-A859 PolarHBondContact O-N 3.48Å |
| 858 | K | 68.1 | Low | 66.2 | Low | 121 Ų | 121 | 102 Ų | 102 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 132.1 | 174.1 | -65 | -175.6 | -178.8 | -172.8 | 0 | 109.1 | G470 G472 R860 | G470-K858 PolarHBondContact O-NZ 2.9Å; G472-K858 PolarHBondContact O-NZ 3.05Å; K858-R860 PolarHBondContact O-N 3.15Å; K858-R860 VanDerWaalsContact O-N 3.16Å |
| 859 | A | 57.2 | Low | 64 | Low | 43 Ų | 43 | 106.3 Ų | 106.3 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 120.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G857 | G857-A859 PolarHBondContact O-N 3.48Š|
| 860 | R | 55 | Low | 62.4 | Low | 173 Ų | 173 | 109 Ų | 109 | 65% | 0.653 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 134.1 | 178 | -81.2 | 179.6 | 168 | 171.2 | -5.2 | 109.3 | K858 D862 E864 | K858-R860 PolarHBondContact O-N 3.15Å; K858-R860 VanDerWaalsContact O-N 3.16Å; R860-D862 VanDerWaalsContact C-N 3.31Å; R860-E864 IonicContact NH1-OE1 3.7Å |
| 861 | K | 45 | Very low | 61.5 | Low | 196 Ų | 196 | 108.5 Ų | 108.5 | 85% | 0.852 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -80.2 | -12.5 | 172.8 | -82.6 | -173 | 176.5 | -178.3 | 0 | 113.4 | ||
| 862 | D | 44 | Very low | 61.3 | Low | 133 Ų | 133 | 110.9 Ų | 110.9 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -78.4 | 126.9 | 176.8 | -65.2 | -36.4 | 0 | 0 | 0 | 109.4 | R860 E864 | R860-D862 VanDerWaalsContact C-N 3.31Å; D862-E864 VanDerWaalsContact C-N 3.33Å; D862-E864 PolarHBondContact O-N 3.04Å |
| 863 | R | 41.4 | Very low | 61.5 | Low | 247 Ų | 247 | 110.4 Ų | 110.4 | 93% | 0.932 | 54% | 0.544 | S | S | * | . | trans | -60.4 | 98.2 | 169.3 | -76.6 | -179.9 | 172.7 | 176.9 | -1.5 | 107.3 | ||||
| 864 | E | 45.4 | Very low | 62 | Low | 86 Ų | 86 | 108.5 Ų | 108.5 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 141.4 | 163.9 | -76.2 | -163.9 | 161.2 | 0 | 0 | 108 | K543 R860 D862 R866 | K543-E864 IonicContact NZ-OE2 3.69Å; K543-E864 PolarHBondContact NZ-OE2 3.43Å; R860-E864 IonicContact NH1-OE1 3.7Å; D862-E864 VanDerWaalsContact C-N 3.33Å; D862-E864 PolarHBondContact O-N 3.04Å; E864-R866 PolarHBondContact O-N 3.34Å |
| 865 | P | 42.7 | Very low | 62.8 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 76% | 0.76 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 123.6 | 173.4 | 22.1 | -30.9 | 0 | 0 | 0 | 107.2 | F867 | P865-F867 PolarHBondContact O-N 2.95Š|
| 866 | R | 43.3 | Very low | 63.8 | Low | 229 Ų | 229 | 98.5 Ų | 98.5 | 86% | 0.864 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 120.9 | 175.4 | -73.1 | -179.8 | 179.4 | -180 | -2.7 | 106.5 | E864 N868 | E864-R866 PolarHBondContact O-N 3.34Å; R866-N868 PolarHBondContact O-N 3.43Å; R866-N868 VanDerWaalsContact O-N 3.08Å |
| 867 | F | 49 | Very low | 64.9 | Low | 96 Ų | 96 | 97.5 Ų | 97.5 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 124.1 | 163.7 | -109.3 | -97.9 | 0 | 0 | 0 | 105.7 | F452 K543 P865 S869 | F452-F867 WeakPolarHBondContact O-CZ 3.45Å; K543-F867 HydrophobicContact CD-CD2 4.41Å; P865-F867 PolarHBondContact O-N 2.95Å; F867-S869 PolarHBondContact O-N 2.88Å |
| 868 | N | 50.2 | Low | 66.1 | Low | 134 Ų | 134 | 99 Ų | 99 | 72% | 0.717 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 133 | -177.9 | -85.1 | -26.2 | 0 | 0 | 0 | 108.6 | R866 | R866-N868 PolarHBondContact O-N 3.43Å; R866-N868 VanDerWaalsContact O-N 3.08Å |
| 869 | S | 49.9 | Very low | 67.4 | Low | 108 Ų | 108 | 93.9 Ų | 93.9 | 76% | 0.755 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -21.2 | 144.3 | 177.3 | -140.7 | 0 | 0 | 0 | 0 | 115.2 | F867 V871 | F867-S869 PolarHBondContact O-N 2.88Å; S869-V871 PolarHBondContact O-N 2.52Å; S869-V871 VanDerWaalsContact O-N 3.15Å |
| 870 | P | 61.6 | Low | 69.4 | Low | 61 Ų | 61 | 91.8 Ų | 91.8 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 123.8 | -165.6 | 15.4 | -29.5 | 0 | 0 | 0 | 112 | ||
| 871 | V | 76.4 | Confident | 71.4 | Confident | 35 Ų | 35 | 83.7 Ų | 83.7 | 21% | 0.212 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 129.4 | -179.9 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | Q540 S869 | Q540-V871 PolarHBondContact NE2-O 3.08Å; S869-V871 PolarHBondContact O-N 2.52Å; S869-V871 VanDerWaalsContact O-N 3.15Å |
| 872 | P | 86.9 | Confident | 74 | Confident | 74 Ų | 74 | 74.5 Ų | 74.5 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 130.4 | -175.7 | -27.8 | 35 | 0 | 0 | 0 | 112.6 | R386 | R386-P872 PolarHBondContact NH1-O 2.79Å; R386-P872 PolarHBondContact NH2-O 2.94Å; R386-P872 VanDerWaalsContact NH2-O 3.12Å |
| 873 | P | 92.8 | Very high | 76.5 | Confident | 58 Ų | 58 | 68.3 Ų | 68.3 | 38% | 0.377 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 157.3 | -176.3 | 31.6 | -35.9 | 0 | 0 | 0 | 112.3 | G538 V875 | G538-P873 CarbonylContact O-C 3.55Å; G538-P873 WeakPolarHBondContact O-CA 3.08Å; P873-V875 HydrophobicContact CB-CG2 4.15Å; P873-V875 HydrophobicContact CG-CG2 4.49Å |
| 874 | V | 94.9 | Very high | 79.2 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | trans | -111 | 118.5 | 167.6 | 175.4 | 0 | 0 | 0 | 0 | 107.4 | A488 G538 L539 V945 L946 L949 | A488-V874 CarbonylContact C-O 3.58Å; A488-V874 WeakPolarHBondContact CA-O 3.49Å; A488-V874 HydrophobicContact CB-CG1 4.21Å; G538-V874 CarbonylContact C-O 2.98Å; G538-V874 VanDerWaalsContact CA-O 3.24Å; G538-V874 WeakPolarHBondContact CA-O 3.31Å; G538-V874 PolarHBondContact O-N 2.79Å; L539-V874 HydrophobicContact CB-CB 4.41Å; L539-V874 HydrophobicContact CD1-CB 3.94Å; L539-V874 HydrophobicContact CD1-CG1 4.28Å; L539-V874 HydrophobicContact CD1-CG2 4.04Å; L539-V874 HydrophobicContact CG-CB 4.17Å; V874-V945 HydrophobicContact CG1-CG1 4.45Å; V874-L946 HydrophobicContact CG1-CD2 4.09Å; V874-L949 HydrophobicContact CG2-CD1 4.39Å; V874-L949 HydrophobicContact CG2-CD2 4.08Å; V874-L949 HydrophobicContact CG2-CG 3.72Å | ||
| 875 | V | 95.9 | Very high | 81.7 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | trans | -125.5 | 113.1 | -174.2 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | A488 N490 P873 | A488-V875 CarbonylContact O-C 3.58Å; A488-V875 WeakPolarHBondContact O-CA 3.46Å; N490-V875 WeakPolarHBondContact OD1-CG2 3.4Å; P873-V875 HydrophobicContact CB-CG2 4.15Å; P873-V875 HydrophobicContact CG-CG2 4.49Å | ||
| 876 | L | 97.3 | Very high | 84.3 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | trans | -84.3 | 154.5 | 171.5 | -73.6 | 175.4 | 0 | 0 | 0 | 111.3 | A488 L880 L882 L922 V945 | A488-L876 HydrophobicContact CB-CB 4.43Å; A488-L876 HydrophobicContact CB-CD1 3.85Å; A488-L876 HydrophobicContact CB-CG 3.94Å; A488-L876 PolarHBondContact O-N 2.95Å; L876-L880 HydrophobicContact CB-CB 4.3Å; L876-L880 HydrophobicContact CD1-CB 4.41Å; L876-L882 HydrophobicContact CD1-CB 3.77Å; L876-L922 HydrophobicContact CD1-CD2 3.71Å; L876-L922 HydrophobicContact CD2-CD2 4.17Å; L876-V945 HydrophobicContact CD2-CG1 3.5Å; L876-V945 VanDerWaalsContact CD2-CG1 3.5Å; L876-V945 HydrophobicContact CG-CG1 4.33Å | ||
| 877 | P | 96.7 | Very high | 86.9 | Confident | 35 Ų | 35 | 37 Ų | 37 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | trans | -51.9 | 150 | 165 | -27 | 36.5 | 0 | 0 | 0 | 112.1 | W489 N879 L880 V938 V940 | W489-P877 PolarHBondContact NE1-O 3.41Å; P877-N879 WeakPolarHBondContact CB-OD1 3.44Å; P877-N879 PolarHBondContact O-N 2.87Å; P877-L880 HydrophobicContact CG-CD1 4.32Å; P877-L880 PolarHBondContact O-N 2.97Å; P877-V938 HydrophobicContact CB-CG1 4.18Å; P877-V938 HydrophobicContact CG-CG1 3.93Å; P877-V940 HydrophobicContact CG-CG1 3.79Å | ||
| 878 | P | 94.4 | Very high | 89 | Confident | 60 Ų | 60 | 32.7 Ų | 32.7 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.3 | -173.4 | 25.6 | -35.4 | 0 | 0 | 0 | 114.8 | L934 | P878-L934 HydrophobicContact CB-CD2 4.43Å; P878-L934 HydrophobicContact CG-CD2 3.79Å |
| 879 | N | 96.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 6% | 0.064 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -1.1 | 175.8 | 52.7 | -18.7 | 0 | 0 | 0 | 114.3 | P877 H924 L925 F926 L934 V938 | P877-N879 WeakPolarHBondContact CB-OD1 3.44Å; P877-N879 PolarHBondContact O-N 2.87Å; N879-H924 PolarHBondContact ND2-NE2 3.44Å; N879-H924 WeakPolarHBondContact O-CA 3.49Å; N879-L925 PolarHBondContact O-N 3.32Å; N879-F926 HydrophobicContact CB-CD2 3.66Å; N879-F926 HydrophobicContact CB-CE2 3.86Å; N879-L934 HydrophobicContact CB-CB 4.27Å; N879-L934 HydrophobicContact CB-CD2 4.36Å; N879-L934 VanDerWaalsContact CB-O 3.26Å; N879-L934 WeakPolarHBondContact CB-O 3.4Å; N879-L934 PolarHBondContact ND2-O 3.38Å; N879-V938 WeakPolarHBondContact ND2-CG2 3.19Å; N879-V938 WeakPolarHBondContact OD1-CG2 3.48Å |
| 880 | L | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.1 | 173.2 | -63.7 | -173.3 | 0 | 0 | 0 | 111.3 | W489 L876 P877 M923 H924 V938 V940 I997 | W489-L880 VanDerWaalsContact CZ2-O 3.25Å; W489-L880 WeakPolarHBondContact CZ2-O 3.17Å; W489-L880 PolarHBondContact NE1-O 2.77Å; L876-L880 HydrophobicContact CB-CB 4.3Å; L876-L880 HydrophobicContact CD1-CB 4.41Å; P877-L880 HydrophobicContact CG-CD1 4.32Å; P877-L880 PolarHBondContact O-N 2.97Å; L880-M923 WeakPolarHBondContact CA-O 3.39Å; L880-H924 HydrophobicContact CD2-CB 4.23Å; L880-V938 HydrophobicContact CD1-CB 4.1Å; L880-V938 HydrophobicContact CD1-CG1 3.74Å; L880-V938 HydrophobicContact CD2-CB 4.19Å; L880-V938 HydrophobicContact CD2-CG2 4.26Å; L880-V938 HydrophobicContact CG-CB 4.17Å; L880-V938 HydrophobicContact CG-CG1 4.1Å; L880-V938 HydrophobicContact CG-CG2 4.28Å; L880-V940 HydrophobicContact CD1-CG1 3.97Å; L880-V940 HydrophobicContact CD1-CG2 4.24Å; L880-I997 HydrophobicContact CD1-CD1 4.14Å; L880-I997 HydrophobicContact CD2-CB 4.01Å; L880-I997 HydrophobicContact CD2-CD1 4.03Å; L880-I997 HydrophobicContact CD2-CG2 4.21Å |
| 881 | H | 97.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.4 | 172.4 | 175.9 | 43.5 | 0 | 0 | 0 | 110.7 | E121 W489 V842 L883 L922 M923 L925 | E121-H881 IonicContact OE1-CD2 3.81Å; E121-H881 IonicContact OE1-NE2 3.69Å; E121-H881 PolarHBondContact OE1-NE2 2.73Å; E121-H881 VanDerWaalsContact OE1-NE2 3.08Å; W489-H881 HydrophobicContact CH2-CB 4.18Å; W489-H881 AromaticContact CH2-ND1 3.95Å; W489-H881 HydrophobicContact CZ2-CB 4.02Å; V842-H881 VanDerWaalsContact CG1-CE1 3.41Å; V842-H881 WeakPolarHBondContact CG1-CE1 2.9Å; H881-L883 PolarHBondContact O-N 3.29Å; H881-L883 VanDerWaalsContact O-N 3.16Å; H881-L922 WeakPolarHBondContact O-CA 3.28Å; H881-M923 PolarHBondContact N-O 3.27Å; H881-M923 PolarHBondContact O-N 3.44Å; H881-L925 HydrophobicContact CB-CD1 4.43Å; H881-L925 HydrophobicContact CB-CD2 3.69Å; H881-L925 HydrophobicContact CB-CG 4Å |
| 882 | L | 98.1 | Very high | 94 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 87.5 | 168.7 | -177.8 | 63.6 | 0 | 0 | 0 | 107.9 | H378 A488 L539 L876 S884 L885 L920 L922 | H378-L882 PolarHBondContact CE1-O 2.87Å; A488-L882 HydrophobicContact CB-CB 3.84Å; A488-L882 HydrophobicContact CB-CD2 3.96Å; L539-L882 HydrophobicContact CD1-CD2 3.93Å; L539-L882 HydrophobicContact CD2-CD2 4.37Å; L876-L882 HydrophobicContact CD1-CB 3.77Å; L882-S884 VanDerWaalsContact C-N 3.33Å; L882-S884 PolarHBondContact O-N 3.04Å; L882-L885 HydrophobicContact CD1-CB 4.32Å; L882-L885 HydrophobicContact CD2-CB 3.94Å; L882-L885 HydrophobicContact CD2-CD2 4.16Å; L882-L885 HydrophobicContact CG-CB 4.23Å; L882-L920 HydrophobicContact CD1-CD1 3.8Å; L882-L920 HydrophobicContact CD1-CG 3.84Å; L882-L922 HydrophobicContact CD1-CD2 3.85Å |
| 883 | L | 97.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -34.7 | -174.3 | -169.6 | 73.7 | 0 | 0 | 0 | 112.3 | E121 I124 H881 R921 M923 I1002 | E121-L883 HydrophobicContact CG-CD1 3.37Å; E121-L883 HydrophobicContact CG-CG 4.1Å; I124-L883 HydrophobicContact CD1-CD2 3.62Å; H881-L883 PolarHBondContact O-N 3.29Å; H881-L883 VanDerWaalsContact O-N 3.16Å; L883-R921 HydrophobicContact CB-CB 3.94Å; L883-R921 HydrophobicContact CD2-CB 4.32Å; L883-R921 PolarHBondContact N-O 3.46Å; L883-M923 HydrophobicContact CB-CB 4.37Å; L883-M923 HydrophobicContact CD1-SD 4.3Å; L883-M923 HydrophobicContact CD2-CB 4.46Å; L883-I1002 HydrophobicContact CD2-CD1 4.32Å; L883-I1002 HydrophobicContact CD2-CG2 4.01Å |
| 884 | S | 97.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 17.4 Ų | 17.4 | 9% | 0.091 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 141.3 | 175.9 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | L882 L920 R921 | L882-S884 VanDerWaalsContact C-N 3.33Å; L882-S884 PolarHBondContact O-N 3.04Å; S884-L920 WeakPolarHBondContact O-CA 3.4Å; S884-R921 PolarHBondContact N-O 3.48Å; S884-R921 PolarHBondContact O-N 2.84Å; S884-R921 PolarHBondContact OG-NH1 3.26Å |
| 885 | L | 98.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 98.3 | 168.5 | 177.1 | 72.6 | 0 | 0 | 0 | 107.9 | E381 T382 T385 L539 L882 V918 L919 L920 L949 | E381-L885 CarbonylContact C-O 3.58Å; T382-L885 HydrophobicContact CG2-CB 4.05Å; T382-L885 HydrophobicContact CG2-CD2 4.45Å; T385-L885 HydrophobicContact CG2-CD1 4.08Å; T385-L885 HydrophobicContact CG2-CD2 4.47Å; T385-L885 HydrophobicContact CG2-CG 3.94Å; T385-L885 PolarHBondContact OG1-O 3.48Å; L539-L885 HydrophobicContact CD1-CD2 3.74Å; L882-L885 HydrophobicContact CD1-CB 4.32Å; L882-L885 HydrophobicContact CD2-CB 3.94Å; L882-L885 HydrophobicContact CD2-CD2 4.16Å; L882-L885 HydrophobicContact CG-CB 4.23Å; L885-V918 HydrophobicContact CD1-CG1 3.54Å; L885-L919 WeakPolarHBondContact CA-O 3.48Å; L885-L920 HydrophobicContact CD1-CD1 4.17Å; L885-L949 HydrophobicContact CD1-CD1 4.26Å; L885-L949 HydrophobicContact CD2-CD1 3.91Å |
| 886 | S | 97.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 20.1 Ų | 20.1 | 5% | 0.049 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.7 | -171.4 | 69 | 0 | 0 | 0 | 0 | 113.2 | E381 T385 L919 | E381-S886 VanDerWaalsContact OE1-CB 3.28Å; E381-S886 WeakPolarHBondContact OE1-CB 3.46Å; E381-S886 WeakPolarHBondContact OE2-CB 3.29Å; T385-S886 VanDerWaalsContact OG1-CA 3.28Å; T385-S886 WeakPolarHBondContact OG1-CA 3.43Å; S886-L919 PolarHBondContact N-O 2.94Å; S886-L919 PolarHBondContact O-N 2.84Å |
| 887 | I | 96.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | trans | -89.8 | 114.5 | 164.7 | -65.5 | 170.3 | 0 | 0 | 0 | 107 | F384 R388 R409 G889 Y915 | F384-I887 HydrophobicContact CD1-CD1 4.1Å; F384-I887 HydrophobicContact CE1-CB 4.47Å; F384-I887 HydrophobicContact CE1-CD1 3.66Å; F384-I887 HydrophobicContact CZ-CD1 4.32Å; R388-I887 HydrophobicContact CB-CD1 3.85Å; R388-I887 HydrophobicContact CG-CD1 3.86Å; R409-I887 PolarHBondContact NH1-O 3.48Å; R409-I887 PolarHBondContact NH2-O 3.01Å; I887-G889 VanDerWaalsContact C-N 3.29Å; I887-G889 PolarHBondContact O-N 3.37Å; I887-Y915 WeakPolarHBondContact CD1-O 3.21Å; I887-Y915 HydrophobicContact CG2-CD1 4.2Å | ||
| 888 | P | 93.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.032 | 15% | 0.153 | C | C | . | . | trans | -59.9 | -36.3 | -172.3 | -28.1 | 37 | 0 | 0 | 0 | 114 | R409 W890 R917 L919 F1006 | R409-P888 PolarHBondContact NH1-O 2.94Å; P888-W890 VanDerWaalsContact C-N 3.25Å; P888-W890 HydrophobicContact CB-CD2 4.18Å; P888-W890 HydrophobicContact CB-CG 4.31Å; P888-W890 HydrophobicContact CB-CZ2 4.18Å; P888-W890 PolarHBondContact O-N 3.34Å; P888-R917 WeakPolarHBondContact CD-O 3.2Å; P888-L919 HydrophobicContact CG-CB 3.59Å; P888-L919 HydrophobicContact CG-CD2 4.29Å; P888-F1006 HydrophobicContact CG-CE1 4.2Å | ||
| 889 | G | 89.8 | Confident | 91.1 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | trans | 80.5 | -2.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | I887 | I887-G889 VanDerWaalsContact C-N 3.29Å; I887-G889 PolarHBondContact O-N 3.37Å | ||
| 890 | W | 88.2 | Confident | 90.8 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 4% | 0.038 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -106.1 | 153.8 | 170.2 | 47 | -98.1 | 0 | 0 | 0 | 111 | Y135 Q136 P888 Y892 R917 T963 F1006 | Y135-W890 HydrophobicContact CD1-CZ3 4.44Å; Q136-W890 VanDerWaalsContact OE1-CA 3.27Å; P888-W890 VanDerWaalsContact C-N 3.25Å; P888-W890 HydrophobicContact CB-CD2 4.18Å; P888-W890 HydrophobicContact CB-CG 4.31Å; P888-W890 HydrophobicContact CB-CZ2 4.18Å; P888-W890 PolarHBondContact O-N 3.34Å; W890-Y892 HydrophobicContact CH2-CD2 4.43Å; W890-Y892 AromaticContact CZ3-CD2 3.81Å; W890-Y892 HydrophobicContact CZ3-CD2 3.81Å; W890-Y892 HydrophobicContact CZ3-CG 4.08Å; W890-R917 PolarHBondContact O-NH2 2.87Å; W890-T963 HydrophobicContact CH2-CG2 4.27Å; W890-F1006 AromaticContact CH2-CZ 3.7Å; W890-F1006 HydrophobicContact CH2-CZ 3.7Å; W890-F1006 HydrophobicContact CZ2-CZ 4.29Å; W890-F1006 HydrophobicContact CZ3-CZ 4.39Å |
| 891 | N | 81.9 | Confident | 90.3 | Very high | 20 Ų | 20 | 28.7 Ų | 28.7 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | trans | -80 | 142.3 | -179 | -172.5 | 28.9 | 0 | 0 | 0 | 112.4 | Q136 S911 | Q136-N891 HydrophobicContact CG-CB 4.43Å; N891-S911 WeakPolarHBondContact CB-OG 3.21Å; N891-S911 WeakPolarHBondContact ND2-CB 3.45Å; N891-S911 PolarHBondContact ND2-OG 3.48Å | ||
| 892 | Y | 82.8 | Confident | 89.7 | Confident | 18 Ų | 18 | 33.4 Ų | 33.4 | 7% | 0.071 | 18% | 0.182 | C | C | . | . | trans | -138.3 | 152.6 | 177.8 | -177.8 | -104.2 | 0 | 0 | 0 | 110.5 | Y135 W890 R917 R958 F1006 | Y135-Y892 HydrophobicContact CD1-CD2 4.02Å; Y135-Y892 AromaticContact CE1-CD2 3.37Å; Y135-Y892 HydrophobicContact CE1-CD2 3.37Å; Y135-Y892 AromaticContact CE1-CE2 3.83Å; Y135-Y892 HydrophobicContact CE1-CE2 3.83Å; Y135-Y892 HydrophobicContact CE1-CG 4.35Å; Y135-Y892 AromaticContact CZ-CD2 3.84Å; Y135-Y892 AromaticContact CZ-CE2 3.78Å; W890-Y892 HydrophobicContact CH2-CD2 4.43Å; W890-Y892 AromaticContact CZ3-CD2 3.81Å; W890-Y892 HydrophobicContact CZ3-CD2 3.81Å; W890-Y892 HydrophobicContact CZ3-CG 4.08Å; Y892-R917 VanDerWaalsContact CB-NH2 3.33Å; Y892-R958 PolarHBondContact OH-NH1 2.84Å; Y892-F1006 HydrophobicContact CD1-CD2 4.19Å; Y892-F1006 AromaticContact CD1-CE2 3.69Å; Y892-F1006 HydrophobicContact CD1-CE2 3.69Å; Y892-F1006 HydrophobicContact CD2-CE2 4.36Å; Y892-F1006 HydrophobicContact CE1-CD2 4.23Å; Y892-F1006 AromaticContact CE1-CE2 3.86Å; Y892-F1006 HydrophobicContact CE1-CE2 3.86Å; Y892-F1006 HydrophobicContact CE2-CE2 4.5Å; Y892-F1006 AromaticContact CG-CE2 3.97Å; Y892-F1006 HydrophobicContact CG-CE2 3.97Å | ||
| 893 | T | 80.4 | Confident | 89.2 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | trans | -132.8 | 134.3 | 167.6 | 165.6 | 0 | 0 | 0 | 0 | 107.8 | Y135 D895 H899 | Y135-T893 PolarHBondContact OH-O 3.05Å; T893-D895 WeakPolarHBondContact CG2-O 3.3Å; T893-D895 PolarHBondContact O-N 3.3Å; T893-D895 PolarHBondContact OG1-N 2.89Å; T893-D895 PolarHBondContact OG1-O 3.18Å; T893-H899 HydrophobicContact CG2-CB 3.2Å | ||
| 894 | S | 76.6 | Confident | 88.5 | Confident | 77 Ų | 77 | 39.8 Ų | 39.8 | 54% | 0.538 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -64 | -30.1 | 178.4 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 895 | D | 86.1 | Confident | 87.6 | Confident | 80 Ų | 80 | 42.5 Ų | 42.5 | 43% | 0.428 | 23% | 0.231 | S | C | . | . | trans | -89.9 | 110.9 | 167.9 | -175.6 | -18.3 | 0 | 0 | 0 | 109.9 | T893 D897 L898 H899 | T893-D895 WeakPolarHBondContact CG2-O 3.3Å; T893-D895 PolarHBondContact O-N 3.3Å; T893-D895 PolarHBondContact OG1-N 2.89Å; T893-D895 PolarHBondContact OG1-O 3.18Å; D895-D897 PolarHBondContact OD1-N 3.28Å; D895-L898 HydrophobicContact CB-CB 3.75Å; D895-L898 HydrophobicContact CB-CD2 4.44Å; D895-L898 VanDerWaalsContact CG-CB 3.44Å; D895-L898 PolarHBondContact OD1-N 3.48Å; D895-H899 PolarHBondContact O-N 2.75Å | ||
| 896 | H | 89.9 | Confident | 86.1 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 20% | 0.199 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.3 | -37.1 | -179.2 | -172.9 | 52.7 | 0 | 0 | 0 | 112.8 | Y135 G139 R141 L898 H899 L900 | Y135-H896 AromaticContact CE2-CE1 3.63Å; Y135-H896 AromaticContact CE2-ND1 3.4Å; Y135-H896 WeakPolarHBondContact CE2-ND1 3.18Å; Y135-H896 AromaticContact CZ-ND1 3.72Å; Y135-H896 PolarHBondContact OH-ND1 3.42Å; G139-H896 PolarHBondContact O-CE1 2.86Å; R141-H896 PolarHBondContact NH2-ND1 2.72Å; H896-L898 VanDerWaalsContact C-N 3.29Å; H896-L898 PolarHBondContact O-N 2.98Å; H896-H899 WeakPolarHBondContact O-CA 3.22Å; H896-H899 WeakPolarHBondContact O-CB 3.25Å; H896-H899 PolarHBondContact O-N 2.82Å; H896-L900 PolarHBondContact O-N 3.13Å |
| 897 | D | 89.8 | Confident | 84.3 | Confident | 120 Ų | 120 | 53.2 Ų | 53.2 | 64% | 0.642 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.9 | -35.3 | -179.9 | -65.3 | -33.1 | 0 | 0 | 0 | 110 | D895 H899 L900 S901 | D895-D897 PolarHBondContact OD1-N 3.28Å; D897-H899 VanDerWaalsContact C-N 3.32Å; D897-H899 PolarHBondContact O-N 2.98Å; D897-L900 PolarHBondContact O-N 3.42Å; D897-S901 WeakPolarHBondContact O-CB 3.32Å; D897-S901 PolarHBondContact O-N 3.17Å; D897-S901 PolarHBondContact O-OG 3.39Å |
| 898 | L | 88.4 | Confident | 82.2 | Confident | 64 Ų | 64 | 61 Ų | 61 | 34% | 0.335 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 168.7 | -174.8 | 60.8 | 0 | 0 | 0 | 112 | D895 H896 S901 R902 | D895-L898 HydrophobicContact CB-CB 3.75Å; D895-L898 HydrophobicContact CB-CD2 4.44Å; D895-L898 VanDerWaalsContact CG-CB 3.44Å; D895-L898 PolarHBondContact OD1-N 3.48Å; H896-L898 VanDerWaalsContact C-N 3.29Å; H896-L898 PolarHBondContact O-N 2.98Å; L898-S901 WeakPolarHBondContact CA-OG 3.41Å; L898-S901 PolarHBondContact O-OG 3.22Å; L898-R902 VanDerWaalsContact O-CG 3.31Å; L898-R902 WeakPolarHBondContact O-CG 3.46Å; L898-R902 PolarHBondContact O-N 3.1Å; L898-R902 VanDerWaalsContact O-N 3.08Å |
| 899 | H | 88.1 | Confident | 80.4 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.1 | -53 | 173.9 | -160.4 | 41 | 0 | 0 | 0 | 111.5 | Y135 T893 D895 H896 D897 S901 R902 L903 | Y135-H899 AromaticContact CE1-CD2 3.75Å; Y135-H899 AromaticContact CE1-NE2 3.89Å; Y135-H899 AromaticContact CZ-CD2 3.82Å; Y135-H899 PolarHBondContact O-NE2 3.35Å; T893-H899 HydrophobicContact CG2-CB 3.2Å; D895-H899 PolarHBondContact O-N 2.75Å; H896-H899 WeakPolarHBondContact O-CA 3.22Å; H896-H899 WeakPolarHBondContact O-CB 3.25Å; H896-H899 PolarHBondContact O-N 2.82Å; D897-H899 VanDerWaalsContact C-N 3.32Å; D897-H899 PolarHBondContact O-N 2.98Å; H899-S901 VanDerWaalsContact C-N 3.33Å; H899-S901 PolarHBondContact O-N 3.35Å; H899-R902 WeakPolarHBondContact O-CB 3.41Å; H899-R902 PolarHBondContact O-N 2.95Å; H899-L903 WeakPolarHBondContact O-CG 3.48Å; H899-L903 PolarHBondContact O-N 2.86Å |
| 900 | L | 89.8 | Confident | 78.5 | Confident | 42 Ų | 42 | 74.2 Ų | 74.2 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | -176.7 | -69.2 | 176 | 0 | 0 | 0 | 110.7 | H896 D897 R902 L903 H904 | H896-L900 PolarHBondContact O-N 3.13Å; D897-L900 PolarHBondContact O-N 3.42Å; L900-R902 VanDerWaalsContact C-N 3.35Å; L900-R902 PolarHBondContact O-N 2.85Å; L900-L903 PolarHBondContact O-N 2.95Å; L900-H904 WeakPolarHBondContact O-CB 3.34Å; L900-H904 PolarHBondContact O-N 3.12Å; L900-H904 PolarHBondContact O-ND1 3.29Å |
| 901 | S | 87.6 | Confident | 77.1 | Confident | 61 Ų | 61 | 75.3 Ų | 75.3 | 43% | 0.427 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.7 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | D897 L898 H899 H904 S905 | D897-S901 WeakPolarHBondContact O-CB 3.32Å; D897-S901 PolarHBondContact O-N 3.17Å; D897-S901 PolarHBondContact O-OG 3.39Å; L898-S901 WeakPolarHBondContact CA-OG 3.41Å; L898-S901 PolarHBondContact O-OG 3.22Å; H899-S901 VanDerWaalsContact C-N 3.33Å; H899-S901 PolarHBondContact O-N 3.35Å; S901-H904 PolarHBondContact O-N 2.81Å; S901-S905 WeakPolarHBondContact O-CB 3.18Å; S901-S905 PolarHBondContact O-N 2.64Å |
| 902 | R | 85.8 | Confident | 76.5 | Confident | 102 Ų | 102 | 81 Ų | 81 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 173.7 | -74.1 | 174 | -179.2 | 179.8 | 0.6 | 111.4 | L898 H899 L900 H904 S905 V909 | L898-R902 VanDerWaalsContact O-CG 3.31Å; L898-R902 WeakPolarHBondContact O-CG 3.46Å; L898-R902 PolarHBondContact O-N 3.1Å; L898-R902 VanDerWaalsContact O-N 3.08Å; H899-R902 WeakPolarHBondContact O-CB 3.41Å; H899-R902 PolarHBondContact O-N 2.95Å; L900-R902 VanDerWaalsContact C-N 3.35Å; L900-R902 PolarHBondContact O-N 2.85Å; R902-H904 VanDerWaalsContact C-N 3.31Å; R902-H904 PolarHBondContact O-N 3.45Å; R902-S905 PolarHBondContact O-N 2.85Å; R902-S905 PolarHBondContact O-OG 3.02Å; R902-V909 HydrophobicContact CB-CG2 4.09Å |
| 903 | L | 85.8 | Confident | 76.6 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 18% | 0.183 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.4 | -70.2 | 177 | 0 | 0 | 0 | 112.2 | H899 L900 S905 | H899-L903 WeakPolarHBondContact O-CG 3.48Å; H899-L903 PolarHBondContact O-N 2.86Å; L900-L903 PolarHBondContact O-N 2.95Å; L903-S905 VanDerWaalsContact C-N 3.35Å |
| 904 | H | 83.1 | Confident | 77 | Confident | 104 Ų | 104 | 83.1 Ų | 83.1 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.1 | -26 | 178.4 | -66.5 | 148.4 | 0 | 0 | 0 | 113.6 | L900 S901 R902 G906 | L900-H904 WeakPolarHBondContact O-CB 3.34Å; L900-H904 PolarHBondContact O-N 3.12Å; L900-H904 PolarHBondContact O-ND1 3.29Å; S901-H904 PolarHBondContact O-N 2.81Å; R902-H904 VanDerWaalsContact C-N 3.31Å; R902-H904 PolarHBondContact O-N 3.45Å; H904-G906 PolarHBondContact O-N 3.2Å |
| 905 | S | 80.4 | Confident | 77.7 | Confident | 71 Ų | 71 | 80 Ų | 80 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -10.3 | -179.1 | 75.1 | 0 | 0 | 0 | 0 | 114.2 | S901 R902 L903 K907 | S901-S905 WeakPolarHBondContact O-CB 3.18Å; S901-S905 PolarHBondContact O-N 2.64Å; R902-S905 PolarHBondContact O-N 2.85Å; R902-S905 PolarHBondContact O-OG 3.02Å; L903-S905 VanDerWaalsContact C-N 3.35Å; S905-K907 PolarHBondContact O-N 3.04Å |
| 906 | G | 66.6 | Low | 77.9 | Confident | 66 Ų | 66 | 80.6 Ų | 80.6 | 68% | 0.68 | 41% | 0.414 | S | S | * | . | trans | 68.5 | -0.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | H904 E908 | H904-G906 PolarHBondContact O-N 3.2Å; G906-E908 PolarHBondContact O-N 3.03Å; G906-E908 VanDerWaalsContact O-N 3.15Å | ||
| 907 | K | 60.3 | Low | 78 | Confident | 166 Ų | 166 | 78.8 Ų | 78.8 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | trans | -65.9 | 111.7 | 165 | -69.2 | -174.8 | 179 | -177.9 | 0 | 106.7 | S905 V909 | S905-K907 PolarHBondContact O-N 3.04Å; K907-V909 VanDerWaalsContact C-N 3.32Å; K907-V909 PolarHBondContact O-N 2.95Å | ||
| 908 | E | 52.2 | Low | 78.4 | Confident | 166 Ų | 166 | 73.2 Ų | 73.2 | 78% | 0.776 | 38% | 0.376 | S | S | * | . | trans | -55.3 | 101.7 | 170.2 | -83.8 | -167.2 | 154.9 | 0 | 0 | 108.2 | G906 R910 | G906-E908 PolarHBondContact O-N 3.03Å; G906-E908 VanDerWaalsContact O-N 3.15Å; E908-R910 PolarHBondContact O-N 3.32Å | ||
| 909 | V | 54.1 | Low | 78.8 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | trans | -77.6 | 78.8 | 165.9 | -174.8 | 0 | 0 | 0 | 0 | 105 | R902 K907 S911 | R902-V909 HydrophobicContact CB-CG2 4.09Å; K907-V909 VanDerWaalsContact C-N 3.32Å; K907-V909 PolarHBondContact O-N 2.95Å; V909-S911 PolarHBondContact O-N 3.5Å | ||
| 910 | R | 51.2 | Low | 79.3 | Confident | 223 Ų | 223 | 69.9 Ų | 69.9 | 84% | 0.842 | 36% | 0.359 | S | S | * | . | trans | -66.1 | 70 | 151.9 | -81.1 | -171.1 | 179.9 | -169.5 | -1.2 | 106.6 | E908 E912 | E908-R910 PolarHBondContact O-N 3.32Å; R910-E912 PolarHBondContact O-N 3.18Å | ||
| 911 | S | 57.6 | Low | 79.7 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 118.9 | 167 | 47.1 | 0 | 0 | 0 | 0 | 106.5 | N891 V909 | N891-S911 WeakPolarHBondContact CB-OG 3.21Å; N891-S911 WeakPolarHBondContact ND2-CB 3.45Å; N891-S911 PolarHBondContact ND2-OG 3.48Å; V909-S911 PolarHBondContact O-N 3.5Å |
| 912 | E | 70.9 | Confident | 80.2 | Confident | 138 Ų | 138 | 65.5 Ų | 65.5 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 147.2 | 164.4 | -63.6 | -174.6 | -176.6 | 0 | 0 | 109.9 | K398 R910 D914 | K398-E912 IonicContact NZ-OE2 3.53Å; R910-E912 PolarHBondContact O-N 3.18Å; E912-D914 PolarHBondContact O-N 3.38Å |
| 913 | P | 83.8 | Confident | 80.8 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 138.1 | 170.8 | -24.3 | 33.7 | 0 | 0 | 0 | 110.8 | L402 Y915 | L402-P913 HydrophobicContact CD2-CB 3.92Å; L402-P913 HydrophobicContact CD2-CG 3.86Å; P913-Y915 HydrophobicContact CB-CD2 4.34Å; P913-Y915 HydrophobicContact CB-CE2 3.87Å; P913-Y915 HydrophobicContact CG-CE2 4.23Å; P913-Y915 WeakPolarHBondContact O-CD2 3.33Å; P913-Y915 WeakPolarHBondContact O-CE2 3.46Å; P913-Y915 PolarHBondContact O-N 3.45Å; P913-Y915 VanDerWaalsContact O-N 3.15Å |
| 914 | D | 88.3 | Confident | 81.4 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | trans | -78.9 | 99.3 | 171.4 | -177.4 | -6.5 | 0 | 0 | 0 | 108.7 | E912 D916 R917 H1008 | E912-D914 PolarHBondContact O-N 3.38Å; D914-D916 VanDerWaalsContact C-N 3.25Å; D914-D916 PolarHBondContact O-N 2.9Å; D914-D916 PolarHBondContact OD1-N 3.02Å; D914-R917 HydrophobicContact CB-CB 4.2Å; D914-R917 PolarHBondContact OD1-N 2.84Å; D914-R917 WeakPolarHBondContact OD2-CB 3.44Å; D914-R917 IonicContact OD2-NH1 3.18Å; D914-H1008 IonicContact OD2-CE1 2.74Å | ||
| 915 | Y | 91.3 | Very high | 82.1 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.7 | -178.6 | -71.1 | -81.4 | 0 | 0 | 0 | 113.7 | R388 K398 D399 L402 I887 P913 | R388-Y915 VanDerWaalsContact NH2-CB 3.3Å; K398-Y915 HydrophobicContact CB-CD1 4Å; K398-Y915 HydrophobicContact CB-CE1 3.78Å; K398-Y915 HydrophobicContact CB-CE2 4.37Å; K398-Y915 HydrophobicContact CB-CG 4.41Å; K398-Y915 HydrophobicContact CD-CD2 3.62Å; K398-Y915 HydrophobicContact CD-CE1 4.49Å; K398-Y915 HydrophobicContact CD-CE2 3.57Å; K398-Y915 HydrophobicContact CD-CG 4.1Å; K398-Y915 HydrophobicContact CG-CD1 4.47Å; K398-Y915 HydrophobicContact CG-CD2 4.24Å; K398-Y915 HydrophobicContact CG-CE1 4.1Å; K398-Y915 HydrophobicContact CG-CE2 3.81Å; D399-Y915 WeakPolarHBondContact CA-OH 3.41Å; D399-Y915 PolarHBondContact OD1-OH 3.01Å; L402-Y915 HydrophobicContact CB-CE1 4.09Å; L402-Y915 HydrophobicContact CD2-CE1 3.83Å; I887-Y915 WeakPolarHBondContact CD1-O 3.21Å; I887-Y915 HydrophobicContact CG2-CD1 4.2Å; P913-Y915 HydrophobicContact CB-CD2 4.34Å; P913-Y915 HydrophobicContact CB-CE2 3.87Å; P913-Y915 HydrophobicContact CG-CE2 4.23Å; P913-Y915 WeakPolarHBondContact O-CD2 3.33Å; P913-Y915 WeakPolarHBondContact O-CE2 3.46Å; P913-Y915 PolarHBondContact O-N 3.45Å; P913-Y915 VanDerWaalsContact O-N 3.15Å |
| 916 | D | 90.4 | Very high | 83 | Confident | 92 Ų | 92 | 51 Ų | 51 | 49% | 0.492 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -6 | -179 | -57.6 | -33.6 | 0 | 0 | 0 | 111.6 | R388 D914 H1008 | R388-D916 IonicContact CZ-OD1 2.81Å; R388-D916 IonicContact NH1-OD1 3.4Å; R388-D916 IonicContact NH2-OD1 2.73Å; R388-D916 PolarHBondContact NH2-OD1 2.85Å; D914-D916 VanDerWaalsContact C-N 3.25Å; D914-D916 PolarHBondContact O-N 2.9Å; D914-D916 PolarHBondContact OD1-N 3.02Å; D916-H1008 PolarHBondContact O-ND1 2.81Å; D916-H1008 VanDerWaalsContact O-ND1 3.1Å |
| 917 | R | 93.6 | Very high | 84.4 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | trans | -86.6 | 108.2 | 170.4 | -168.8 | 171.8 | 78.9 | -117.3 | 0.5 | 111.2 | P888 W890 Y892 D914 F1006 | P888-R917 WeakPolarHBondContact CD-O 3.2Å; W890-R917 PolarHBondContact O-NH2 2.87Å; Y892-R917 VanDerWaalsContact CB-NH2 3.33Å; D914-R917 HydrophobicContact CB-CB 4.2Å; D914-R917 PolarHBondContact OD1-N 2.84Å; D914-R917 WeakPolarHBondContact OD2-CB 3.44Å; D914-R917 IonicContact OD2-NH1 3.18Å; R917-F1006 HydrophobicContact CG-CB 3.96Å; R917-F1006 HydrophobicContact CG-CD1 3.93Å; R917-F1006 HydrophobicContact CG-CD2 4.29Å; R917-F1006 HydrophobicContact CG-CG 3.82Å | ||
| 918 | V | 96.6 | Very high | 86.1 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.3 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 110 | T385 I389 L885 F1006 I1007 F1009 | T385-V918 HydrophobicContact CG2-CB 4.35Å; T385-V918 HydrophobicContact CG2-CG1 3.61Å; T385-V918 HydrophobicContact CG2-CG2 3.78Å; I389-V918 HydrophobicContact CD1-CG2 4.28Å; I389-V918 HydrophobicContact CG1-CG2 4.47Å; L885-V918 HydrophobicContact CD1-CG1 3.54Å; V918-F1006 CarbonylContact O-C 3.54Å; V918-F1006 WeakPolarHBondContact O-CA 3.36Å; V918-I1007 HydrophobicContact CB-CB 4.45Å; V918-I1007 WeakPolarHBondContact CB-O 3.41Å; V918-I1007 PolarHBondContact N-O 2.85Å; V918-I1007 PolarHBondContact O-N 3.45Å; V918-F1009 HydrophobicContact CB-CE2 4.2Å; V918-F1009 HydrophobicContact CG1-CE2 4.46Å; V918-F1009 HydrophobicContact CG2-CD2 4.17Å; V918-F1009 HydrophobicContact CG2-CE2 3.98Å |
| 919 | L | 97.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 122.9 | 168.8 | 172.9 | 69.9 | 0 | 0 | 0 | 109.3 | T128 L885 S886 P888 T1004 F1005 F1006 | T128-L919 HydrophobicContact CG2-CD2 4.43Å; L885-L919 WeakPolarHBondContact CA-O 3.48Å; S886-L919 PolarHBondContact N-O 2.94Å; S886-L919 PolarHBondContact O-N 2.84Å; P888-L919 HydrophobicContact CG-CB 3.59Å; P888-L919 HydrophobicContact CG-CD2 4.29Å; L919-T1004 HydrophobicContact CD1-CG2 3.41Å; L919-T1004 VanDerWaalsContact CD1-CG2 3.41Å; L919-F1005 WeakPolarHBondContact CA-O 3.48Å; L919-F1006 HydrophobicContact CB-CD1 4.3Å; L919-F1006 HydrophobicContact CB-CE1 4.25Å; L919-F1006 HydrophobicContact CD1-CD1 4.11Å; L919-F1006 HydrophobicContact CD1-CE1 3.85Å |
| 920 | L | 98.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.4 | 177.8 | 178.7 | 143.5 | 0 | 0 | 0 | 110.2 | L882 S884 L885 L922 L946 T1004 F1005 I1007 | L882-L920 HydrophobicContact CD1-CD1 3.8Å; L882-L920 HydrophobicContact CD1-CG 3.84Å; S884-L920 WeakPolarHBondContact O-CA 3.4Å; L885-L920 HydrophobicContact CD1-CD1 4.17Å; L920-L922 HydrophobicContact CD2-CD1 4.04Å; L920-L922 HydrophobicContact CD2-CD2 4.08Å; L920-L922 HydrophobicContact CD2-CG 3.62Å; L920-L946 HydrophobicContact CD1-CD1 3.75Å; L920-L946 HydrophobicContact CD1-CD2 3.91Å; L920-L946 HydrophobicContact CD1-CG 4.49Å; L920-T1004 CarbonylContact O-C 3.52Å; L920-T1004 WeakPolarHBondContact O-CA 3.16Å; L920-F1005 HydrophobicContact CD2-CD2 3.81Å; L920-F1005 PolarHBondContact N-O 3.5Å; L920-F1005 PolarHBondContact O-N 3.08Å; L920-I1007 HydrophobicContact CB-CD1 3.62Å; L920-I1007 HydrophobicContact CB-CG1 4.25Å; L920-I1007 HydrophobicContact CD1-CD1 3.66Å; L920-I1007 HydrophobicContact CD2-CD1 4.08Å; L920-I1007 HydrophobicContact CG-CD1 3.99Å |
| 921 | R | 98.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.5 | 172.2 | -64.4 | -172.5 | -173.3 | 106.5 | -4.6 | 110.6 | I124 T128 L883 S884 L960 R1003 T1004 | I124-R921 VanDerWaalsContact CG2-CZ 3.41Å; T128-R921 PolarHBondContact OG1-NH2 3.34Å; L883-R921 HydrophobicContact CB-CB 3.94Å; L883-R921 HydrophobicContact CD2-CB 4.32Å; L883-R921 PolarHBondContact N-O 3.46Å; S884-R921 PolarHBondContact N-O 3.48Å; S884-R921 PolarHBondContact O-N 2.84Å; S884-R921 PolarHBondContact OG-NH1 3.26Å; R921-L960 VanDerWaalsContact CZ-O 3.3Å; R921-L960 PolarHBondContact NE-O 2.85Å; R921-L960 PolarHBondContact NH2-O 2.75Å; R921-R1003 WeakPolarHBondContact CA-O 3.07Å; R921-T1004 HydrophobicContact CG-CG2 3.9Å |
| 922 | L | 98.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.2 | 172.9 | -62 | 176.3 | 0 | 0 | 0 | 109.4 | L876 H881 L882 L920 L942 I997 I1002 R1003 | L876-L922 HydrophobicContact CD1-CD2 3.71Å; L876-L922 HydrophobicContact CD2-CD2 4.17Å; H881-L922 WeakPolarHBondContact O-CA 3.28Å; L882-L922 HydrophobicContact CD1-CD2 3.85Å; L920-L922 HydrophobicContact CD2-CD1 4.04Å; L920-L922 HydrophobicContact CD2-CD2 4.08Å; L920-L922 HydrophobicContact CD2-CG 3.62Å; L922-L942 HydrophobicContact CD1-CD2 3.78Å; L922-I997 HydrophobicContact CB-CD1 3.37Å; L922-I997 HydrophobicContact CD1-CD1 3.76Å; L922-I997 HydrophobicContact CG-CD1 4.21Å; L922-I1002 WeakPolarHBondContact O-CA 3.1Å; L922-R1003 PolarHBondContact N-O 2.77Å; L922-R1003 PolarHBondContact O-N 2.83Å |
| 923 | M | 98.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.6 | 176.3 | 176.3 | 179.6 | 167 | 0 | 0 | 110.2 | L120 Y738 L880 H881 L883 K1000 E1001 I1002 | L120-M923 HydrophobicContact CD2-CE 4.06Å; L120-M923 HydrophobicContact CD2-SD 3.59Å; L120-M923 VanDerWaalsContact CD2-SD 3.59Å; Y738-M923 HydrophobicContact CD2-CE 3.53Å; Y738-M923 HydrophobicContact CD2-SD 4.44Å; Y738-M923 HydrophobicContact CE2-CE 3.83Å; L880-M923 WeakPolarHBondContact CA-O 3.39Å; H881-M923 PolarHBondContact N-O 3.27Å; H881-M923 PolarHBondContact O-N 3.44Å; L883-M923 HydrophobicContact CB-CB 4.37Å; L883-M923 HydrophobicContact CD1-SD 4.3Å; L883-M923 HydrophobicContact CD2-CB 4.46Å; M923-K1000 HydrophobicContact CE-CD 4.19Å; M923-E1001 WeakPolarHBondContact CA-O 3.49Å; M923-I1002 HydrophobicContact CB-CG1 4.11Å; M923-I1002 HydrophobicContact CG-CG1 3.91Å; M923-I1002 HydrophobicContact SD-CD1 4.46Å; M923-I1002 HydrophobicContact SD-CG1 4.36Å |
| 924 | H | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.7 | 165.1 | -165.2 | -72.3 | 0 | 0 | 0 | 110.7 | N879 L880 F926 L934 K936 I997 S998 K1000 E1001 | N879-H924 PolarHBondContact ND2-NE2 3.44Å; N879-H924 WeakPolarHBondContact O-CA 3.49Å; L880-H924 HydrophobicContact CD2-CB 4.23Å; H924-F926 PolarHBondContact ND1-N 2.85Å; H924-F926 PolarHBondContact ND1-O 2.87Å; H924-L934 PolarHBondContact CE1-O 2.97Å; H924-L934 PolarHBondContact NE2-O 3.39Å; H924-K936 PolarHBondContact NE2-O 3.3Å; H924-K936 VanDerWaalsContact NE2-O 3.09Å; H924-I997 HydrophobicContact CB-CG2 3.94Å; H924-S998 WeakPolarHBondContact CB-O 3.43Å; H924-K1000 WeakPolarHBondContact O-CA 3.37Å; H924-E1001 PolarHBondContact N-O 2.76Å |
| 925 | L | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -72.5 | -31.8 | -171.6 | -74.2 | 179.4 | 0 | 0 | 0 | 114.2 | W489 Q838 R839 V842 N879 H881 K1000 | W489-L925 HydrophobicContact CH2-CD1 3.77Å; W489-L925 HydrophobicContact CZ2-CD1 3.67Å; Q838-L925 HydrophobicContact CB-CB 4.18Å; R839-L925 HydrophobicContact CB-CD1 4.37Å; V842-L925 HydrophobicContact CG2-CD2 4.07Å; N879-L925 PolarHBondContact O-N 3.32Å; H881-L925 HydrophobicContact CB-CD1 4.43Å; H881-L925 HydrophobicContact CB-CD2 3.69Å; H881-L925 HydrophobicContact CB-CG 4Å; L925-K1000 WeakPolarHBondContact O-CE 3.49Å; L925-K1000 PolarHBondContact O-NZ 2.97Å | ||
| 926 | F | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -97.9 | 147.9 | -170 | -64.7 | -103.1 | 0 | 0 | 0 | 112.5 | S834 N879 H924 E930 D931 L934 P999 K1000 | S834-F926 WeakPolarHBondContact O-CE1 3.04Å; N879-F926 HydrophobicContact CB-CD2 3.66Å; N879-F926 HydrophobicContact CB-CE2 3.86Å; H924-F926 PolarHBondContact ND1-N 2.85Å; H924-F926 PolarHBondContact ND1-O 2.87Å; F926-E930 WeakPolarHBondContact CA-OE2 3.46Å; F926-E930 HydrophobicContact CD1-CB 4.42Å; F926-E930 HydrophobicContact CD1-CG 4.26Å; F926-D931 HydrophobicContact CD1-CB 4.24Å; F926-D931 HydrophobicContact CE1-CB 4.32Å; F926-L934 HydrophobicContact CD1-CB 4.07Å; F926-L934 HydrophobicContact CD2-CB 3.94Å; F926-L934 HydrophobicContact CE1-CB 3.87Å; F926-L934 HydrophobicContact CE1-CD1 3.95Å; F926-L934 HydrophobicContact CE2-CB 3.79Å; F926-L934 HydrophobicContact CE2-CD1 4.01Å; F926-L934 HydrophobicContact CE2-CG 4.46Å; F926-L934 HydrophobicContact CG-CB 4.1Å; F926-L934 HydrophobicContact CZ-CB 3.76Å; F926-L934 HydrophobicContact CZ-CD1 3.45Å; F926-L934 VanDerWaalsContact CZ-CD1 3.45Å; F926-L934 HydrophobicContact CZ-CG 4.23Å; F926-P999 CarbonylContact O-C 3.52Å; F926-P999 WeakPolarHBondContact O-CA 3.33Å; F926-P999 WeakPolarHBondContact O-CB 3.36Å; F926-K1000 PolarHBondContact O-N 3.08Å; F926-K1000 VanDerWaalsContact O-N 3.09Å |
| 927 | E | 96.9 | Very high | 97 | Very high | 27 Ų | 27 | 34 Ų | 34 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 152.6 | 167.5 | -60.1 | -177.1 | -130.6 | 0 | 0 | 111.5 | S197 M740 G929 E930 S935 K1000 | S197-E927 WeakPolarHBondContact OG-CA 3.26Å; M740-E927 PolarHBondContact N-OE1 2.79Å; E927-G929 PolarHBondContact O-N 2.92Å; E927-G929 VanDerWaalsContact O-N 3.09Å; E927-E930 HydrophobicContact CB-CB 4.19Å; E927-E930 PolarHBondContact N-OE2 3.49Å; E927-E930 WeakPolarHBondContact O-CB 3.36Å; E927-E930 PolarHBondContact O-N 2.79Å; E927-E930 VanDerWaalsContact O-N 3.1Å; E927-S935 WeakPolarHBondContact O-CB 3.33Å; E927-S935 PolarHBondContact O-OG 2.8Å; E927-S935 VanDerWaalsContact O-OG 3.13Å; E927-K1000 HydrophobicContact CB-CG 4.5Å; E927-K1000 HydrophobicContact CG-CD 4.14Å; E927-K1000 HydrophobicContact CG-CG 3.93Å |
| 928 | E | 95.3 | Very high | 97.1 | Very high | 113 Ų | 113 | 34.5 Ų | 34.5 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 117.1 | 172.6 | -173.7 | 177.8 | -147.9 | 0 | 0 | 110.1 | S197 K199 P999 | S197-E928 PolarHBondContact OG-N 3Å; K199-E928 WeakPolarHBondContact CE-OE2 3.43Å; K199-E928 IonicContact NZ-OE1 2.94Å; K199-E928 IonicContact NZ-OE2 3.47Å; K199-E928 PolarHBondContact NZ-OE2 3.47Å; E928-P999 HydrophobicContact CB-CB 4.23Å |
| 929 | G | 94.8 | Very high | 97.1 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 72% | 0.722 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 2.7 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | E927 | E927-G929 PolarHBondContact O-N 2.92Å; E927-G929 VanDerWaalsContact O-N 3.09Å |
| 930 | E | 95.6 | Very high | 97 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -67.1 | -36.1 | -179.8 | -172.1 | -179.1 | 153.8 | 0 | 0 | 113.4 | S834 Y837 Q838 F926 E927 S935 | S834-E930 WeakPolarHBondContact CB-O 3.26Å; S834-E930 PolarHBondContact OG-O 2.9Å; S834-E930 VanDerWaalsContact OG-O 3.07Å; Y837-E930 WeakPolarHBondContact CE1-OE1 3.45Å; Y837-E930 VanDerWaalsContact OH-CD 3.3Å; Y837-E930 PolarHBondContact OH-OE1 3.34Å; Q838-E930 WeakPolarHBondContact CG-OE1 3.35Å; Q838-E930 PolarHBondContact NE2-OE1 3.44Å; Q838-E930 PolarHBondContact NE2-OE2 3.37Å; F926-E930 WeakPolarHBondContact CA-OE2 3.46Å; F926-E930 HydrophobicContact CD1-CB 4.42Å; F926-E930 HydrophobicContact CD1-CG 4.26Å; E927-E930 HydrophobicContact CB-CB 4.19Å; E927-E930 PolarHBondContact N-OE2 3.49Å; E927-E930 WeakPolarHBondContact O-CB 3.36Å; E927-E930 PolarHBondContact O-N 2.79Å; E927-E930 VanDerWaalsContact O-N 3.1Å; E930-S935 PolarHBondContact N-OG 3.41Å |
| 931 | D | 96.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -143.5 | 137.7 | 175.4 | 179.5 | -95.9 | 0 | 0 | 0 | 110.3 | K835 F926 E933 L934 S935 | K835-D931 WeakPolarHBondContact CE-OD2 3.29Å; K835-D931 WeakPolarHBondContact CG-OD2 3.49Å; F926-D931 HydrophobicContact CD1-CB 4.24Å; F926-D931 HydrophobicContact CE1-CB 4.32Å; D931-E933 PolarHBondContact O-N 3.12Å; D931-E933 VanDerWaalsContact O-N 3.12Å; D931-E933 PolarHBondContact OD1-N 3Å; D931-L934 HydrophobicContact CB-CB 4.15Å; D931-L934 PolarHBondContact OD1-N 3.35Å; D931-S935 PolarHBondContact N-OG 2.69Å; D931-S935 WeakPolarHBondContact O-CB 3.43Å; D931-S935 PolarHBondContact O-N 2.92Å; D931-S935 PolarHBondContact O-OG 3.08Å |
| 932 | P | 95.7 | Very high | 96.7 | Very high | 102 Ų | 102 | 40.9 Ų | 40.9 | 66% | 0.662 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27 | -176.3 | -27.3 | 35.5 | 0 | 0 | 0 | 116 | K936 | P932-K936 WeakPolarHBondContact O-CE 3.28Š|
| 933 | E | 96.3 | Very high | 96.5 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 54% | 0.542 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -47.2 | -176.5 | -65.5 | -53.9 | 130.6 | 0 | 0 | 112.4 | D931 S935 K936 | D931-E933 PolarHBondContact O-N 3.12Å; D931-E933 VanDerWaalsContact O-N 3.12Å; D931-E933 PolarHBondContact OD1-N 3Å; E933-S935 PolarHBondContact O-N 3.49Å; E933-K936 PolarHBondContact O-N 3.04Å; E933-K936 IonicContact OE1-NZ 3.59Å; E933-K936 PolarHBondContact OE1-NZ 2.68Å; E933-K936 IonicContact OE2-NZ 2.71Å; E933-K936 PolarHBondContact OE2-NZ 3.2Å |
| 934 | L | 97.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -13.9 | -176.3 | -63 | 179.8 | 0 | 0 | 0 | 113.3 | K835 P878 N879 H924 F926 D931 | K835-L934 HydrophobicContact CB-CD1 4.02Å; K835-L934 HydrophobicContact CG-CD1 3.94Å; P878-L934 HydrophobicContact CB-CD2 4.43Å; P878-L934 HydrophobicContact CG-CD2 3.79Å; N879-L934 HydrophobicContact CB-CB 4.27Å; N879-L934 HydrophobicContact CB-CD2 4.36Å; N879-L934 VanDerWaalsContact CB-O 3.26Å; N879-L934 WeakPolarHBondContact CB-O 3.4Å; N879-L934 PolarHBondContact ND2-O 3.38Å; H924-L934 PolarHBondContact CE1-O 2.97Å; H924-L934 PolarHBondContact NE2-O 3.39Å; F926-L934 HydrophobicContact CD1-CB 4.07Å; F926-L934 HydrophobicContact CD2-CB 3.94Å; F926-L934 HydrophobicContact CE1-CB 3.87Å; F926-L934 HydrophobicContact CE1-CD1 3.95Å; F926-L934 HydrophobicContact CE2-CB 3.79Å; F926-L934 HydrophobicContact CE2-CD1 4.01Å; F926-L934 HydrophobicContact CE2-CG 4.46Å; F926-L934 HydrophobicContact CG-CB 4.1Å; F926-L934 HydrophobicContact CZ-CB 3.76Å; F926-L934 HydrophobicContact CZ-CD1 3.45Å; F926-L934 VanDerWaalsContact CZ-CD1 3.45Å; F926-L934 HydrophobicContact CZ-CG 4.23Å; D931-L934 HydrophobicContact CB-CB 4.15Å; D931-L934 PolarHBondContact OD1-N 3.35Å |
| 935 | S | 97.3 | Very high | 96 | Very high | 10 Ų | 10 | 51 Ų | 51 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 11.2 | 176.8 | -48.3 | 0 | 0 | 0 | 0 | 113.9 | E927 E930 D931 E933 P999 | E927-S935 WeakPolarHBondContact O-CB 3.33Å; E927-S935 PolarHBondContact O-OG 2.8Å; E927-S935 VanDerWaalsContact O-OG 3.13Å; E930-S935 PolarHBondContact N-OG 3.41Å; D931-S935 PolarHBondContact N-OG 2.69Å; D931-S935 WeakPolarHBondContact O-CB 3.43Å; D931-S935 PolarHBondContact O-N 2.92Å; D931-S935 PolarHBondContact O-OG 3.08Å; E933-S935 PolarHBondContact O-N 3.49Å; S935-P999 WeakPolarHBondContact O-CG 3.21Å |
| 936 | K | 97.4 | Very high | 95.9 | Very high | 100 Ų | 100 | 51 Ų | 51 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -87.2 | 149.3 | 172.4 | -67.9 | 175.3 | -177.5 | 157 | 0 | 110.1 | H924 P932 E933 | H924-K936 PolarHBondContact NE2-O 3.3Å; H924-K936 VanDerWaalsContact NE2-O 3.09Å; P932-K936 WeakPolarHBondContact O-CE 3.28Å; E933-K936 PolarHBondContact O-N 3.04Å; E933-K936 IonicContact OE1-NZ 3.59Å; E933-K936 PolarHBondContact OE1-NZ 2.68Å; E933-K936 IonicContact OE2-NZ 2.71Å; E933-K936 PolarHBondContact OE2-NZ 3.2Å |
| 937 | P | 97.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 58.5 Ų | 58.5 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | trans | -53.2 | 142.7 | 171.8 | -24.4 | 33.2 | 0 | 0 | 0 | 112.3 | T996 I997 | P937-T996 HydrophobicContact CB-CG2 4.07Å; P937-I997 WeakPolarHBondContact CA-O 3.42Å | ||
| 938 | V | 96.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.4 | -178.1 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | P877 N879 L880 V940 T996 I997 | P877-V938 HydrophobicContact CB-CG1 4.18Å; P877-V938 HydrophobicContact CG-CG1 3.93Å; N879-V938 WeakPolarHBondContact ND2-CG2 3.19Å; N879-V938 WeakPolarHBondContact OD1-CG2 3.48Å; L880-V938 HydrophobicContact CD1-CB 4.1Å; L880-V938 HydrophobicContact CD1-CG1 3.74Å; L880-V938 HydrophobicContact CD2-CB 4.19Å; L880-V938 HydrophobicContact CD2-CG2 4.26Å; L880-V938 HydrophobicContact CG-CB 4.17Å; L880-V938 HydrophobicContact CG-CG1 4.1Å; L880-V938 HydrophobicContact CG-CG2 4.28Å; V938-V940 HydrophobicContact CG1-CG1 3.99Å; V938-T996 CarbonylContact O-C 3.57Å; V938-T996 VanDerWaalsContact O-CA 3.24Å; V938-T996 WeakPolarHBondContact O-CA 3.44Å; V938-I997 PolarHBondContact N-O 3.5Å; V938-I997 PolarHBondContact O-N 3.22Å |
| 939 | T | 96.5 | Very high | 95.2 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124 | 172.1 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | T994 V995 T996 | T939-T994 HydrophobicContact CG2-CG2 3.35Å; T939-V995 CarbonylContact C-O 3.46Å; T939-V995 WeakPolarHBondContact CA-O 3.42Å; T939-T996 PolarHBondContact OG1-OG1 2.92Å |
| 940 | V | 95.6 | Very high | 95 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146 | 176.8 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | P877 L880 V938 L942 V945 T994 V995 | P877-V940 HydrophobicContact CG-CG1 3.79Å; L880-V940 HydrophobicContact CD1-CG1 3.97Å; L880-V940 HydrophobicContact CD1-CG2 4.24Å; V938-V940 HydrophobicContact CG1-CG1 3.99Å; V940-L942 HydrophobicContact CG2-CD2 4.01Å; V940-V945 HydrophobicContact CB-CG2 4.04Å; V940-V945 HydrophobicContact CG1-CG2 4.28Å; V940-T994 WeakPolarHBondContact O-CA 3.26Å; V940-V995 PolarHBondContact N-O 3.27Å; V940-V995 PolarHBondContact O-N 3.03Å |
| 941 | N | 95.6 | Very high | 94.9 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.3 | 166.2 | -174.9 | -34.3 | 0 | 0 | 0 | 109 | K943 D944 V945 | N941-K943 VanDerWaalsContact C-N 3.3Å; N941-K943 PolarHBondContact O-N 3.31Å; N941-K943 WeakPolarHBondContact OD1-CB 3.4Å; N941-K943 PolarHBondContact OD1-N 2.87Å; N941-D944 HydrophobicContact CB-CB 4.34Å; N941-D944 WeakPolarHBondContact CB-OD2 3.39Å; N941-D944 PolarHBondContact O-N 3.35Å; N941-V945 WeakPolarHBondContact O-CG2 3.49Å; N941-V945 PolarHBondContact O-N 3.39Å; N941-V945 VanDerWaalsContact O-N 3.08Å |
| 942 | L | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.3 | -24.2 | -175.6 | -64.9 | -173.8 | 0 | 0 | 0 | 113.3 | L922 V940 D944 L946 L955 F993 V995 | L922-L942 HydrophobicContact CD1-CD2 3.78Å; V940-L942 HydrophobicContact CG2-CD2 4.01Å; L942-D944 VanDerWaalsContact C-N 3.32Å; L942-L946 HydrophobicContact CB-CD1 4.27Å; L942-L946 VanDerWaalsContact O-CB 3.22Å; L942-L946 WeakPolarHBondContact O-CB 3.32Å; L942-L946 WeakPolarHBondContact O-CG 3.41Å; L942-L946 PolarHBondContact O-N 3.16Å; L942-L955 HydrophobicContact CD1-CD1 3.56Å; L942-L955 HydrophobicContact CD1-CD2 3.76Å; L942-L955 HydrophobicContact CD1-CG 4.32Å; L942-F993 PolarHBondContact N-O 2.98Å; L942-V995 HydrophobicContact CD1-CG2 3.78Å; L942-V995 HydrophobicContact CG-CG2 4.02Å |
| 943 | K | 93.7 | Very high | 94.7 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 34% | 0.335 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 171.2 | -78.5 | -179.9 | 164.7 | -177.4 | 0 | 111.3 | N941 K947 V952 F993 | N941-K943 VanDerWaalsContact C-N 3.3Å; N941-K943 PolarHBondContact O-N 3.31Å; N941-K943 WeakPolarHBondContact OD1-CB 3.4Å; N941-K943 PolarHBondContact OD1-N 2.87Å; K943-K947 WeakPolarHBondContact O-CB 3Å; K943-K947 PolarHBondContact O-N 2.97Å; K943-V952 WeakPolarHBondContact CE-O 3.45Å; K943-V952 HydrophobicContact CG-CB 3.99Å; K943-F993 HydrophobicContact CD-CB 4.34Å; K943-F993 HydrophobicContact CD-CD1 4.41Å; K943-F993 HydrophobicContact CD-CD2 3.63Å; K943-F993 HydrophobicContact CD-CE2 4.1Å; K943-F993 HydrophobicContact CD-CG 3.83Å; K943-F993 HydrophobicContact CG-CB 4.06Å; K943-F993 HydrophobicContact CG-CD1 4.11Å; K943-F993 HydrophobicContact CG-CD2 4.15Å; K943-F993 HydrophobicContact CG-CG 3.8Å; K943-F993 VanDerWaalsContact NZ-CE2 3.26Å |
| 944 | D | 93.7 | Very high | 94.5 | Very high | 114 Ų | 114 | 54.5 Ų | 54.5 | 61% | 0.61 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -75.3 | -47.4 | -176.5 | -61.5 | -33.1 | 0 | 0 | 0 | 111.2 | N941 L942 K947 | N941-D944 HydrophobicContact CB-CB 4.34Å; N941-D944 WeakPolarHBondContact CB-OD2 3.39Å; N941-D944 PolarHBondContact O-N 3.35Å; L942-D944 VanDerWaalsContact C-N 3.32Å; D944-K947 WeakPolarHBondContact O-CB 3.16Å; D944-K947 PolarHBondContact O-N 3.15Å |
| 945 | V | 93.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | -178.5 | 171 | 0 | 0 | 0 | 0 | 111.8 | V874 L876 V940 N941 | V874-V945 HydrophobicContact CG1-CG1 4.45Å; L876-V945 HydrophobicContact CD2-CG1 3.5Å; L876-V945 VanDerWaalsContact CD2-CG1 3.5Å; L876-V945 HydrophobicContact CG-CG1 4.33Å; V940-V945 HydrophobicContact CB-CG2 4.04Å; V940-V945 HydrophobicContact CG1-CG2 4.28Å; N941-V945 WeakPolarHBondContact O-CG2 3.49Å; N941-V945 PolarHBondContact O-N 3.39Å; N941-V945 VanDerWaalsContact O-N 3.08Å |
| 946 | L | 95.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -91.7 | 3.7 | -176.2 | -55.4 | 175 | 0 | 0 | 0 | 113.3 | V874 L920 L942 G948 L949 G950 V952 I1007 F1009 | V874-L946 HydrophobicContact CG1-CD2 4.09Å; L920-L946 HydrophobicContact CD1-CD1 3.75Å; L920-L946 HydrophobicContact CD1-CD2 3.91Å; L920-L946 HydrophobicContact CD1-CG 4.49Å; L942-L946 HydrophobicContact CB-CD1 4.27Å; L942-L946 VanDerWaalsContact O-CB 3.22Å; L942-L946 WeakPolarHBondContact O-CB 3.32Å; L942-L946 WeakPolarHBondContact O-CG 3.41Å; L942-L946 PolarHBondContact O-N 3.16Å; L946-G948 PolarHBondContact O-N 3.12Å; L946-L949 HydrophobicContact CD2-CD1 4.22Å; L946-L949 WeakPolarHBondContact O-CB 3.34Å; L946-L949 PolarHBondContact O-N 2.76Å; L946-G950 PolarHBondContact O-N 3.45Å; L946-V952 HydrophobicContact CB-CG2 4.02Å; L946-V952 HydrophobicContact CD1-CG2 4.15Å; L946-I1007 HydrophobicContact CD1-CD1 3.64Å; L946-F1009 HydrophobicContact CB-CE1 4.37Å |
| 947 | K | 92.4 | Very high | 94.1 | Very high | 159 Ų | 159 | 53.1 Ų | 53.1 | 69% | 0.691 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -51.8 | -31.5 | 177.4 | -172.9 | 179.3 | -179.5 | 179 | 0 | 112.6 | K943 D944 L949 G950 | K943-K947 WeakPolarHBondContact O-CB 3Å; K943-K947 PolarHBondContact O-N 2.97Å; D944-K947 WeakPolarHBondContact O-CB 3.16Å; D944-K947 PolarHBondContact O-N 3.15Å; K947-L949 PolarHBondContact O-N 3.26Å; K947-G950 PolarHBondContact O-N 3.09Å |
| 948 | G | 89.9 | Confident | 93.9 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -58.4 | -33.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R386 L946 | R386-G948 PolarHBondContact NH2-O 2.91Å; L946-G948 PolarHBondContact O-N 3.12Å |
| 949 | L | 92.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -46.4 | 176 | -61.4 | 173.6 | 0 | 0 | 0 | 111.9 | R386 I389 L539 V874 L885 L946 K947 F1009 | R386-L949 HydrophobicContact CB-CD2 3.9Å; R386-L949 HydrophobicContact CG-CD2 3.74Å; I389-L949 HydrophobicContact CD1-CB 4.16Å; I389-L949 VanDerWaalsContact CG2-O 3.3Å; I389-L949 WeakPolarHBondContact CG2-O 3.14Å; L539-L949 HydrophobicContact CD1-CD2 4.14Å; V874-L949 HydrophobicContact CG2-CD1 4.39Å; V874-L949 HydrophobicContact CG2-CD2 4.08Å; V874-L949 HydrophobicContact CG2-CG 3.72Å; L885-L949 HydrophobicContact CD1-CD1 4.26Å; L885-L949 HydrophobicContact CD2-CD1 3.91Å; L946-L949 HydrophobicContact CD2-CD1 4.22Å; L946-L949 WeakPolarHBondContact O-CB 3.34Å; L946-L949 PolarHBondContact O-N 2.76Å; K947-L949 PolarHBondContact O-N 3.26Å; L949-F1009 HydrophobicContact CB-CE1 3.95Å; L949-F1009 HydrophobicContact CB-CZ 4.19Å; L949-F1009 HydrophobicContact CD1-CZ 4.16Å |
| 950 | G | 91.9 | Very high | 94 | Very high | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | trans | 170.5 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L946 K947 V952 | L946-G950 PolarHBondContact O-N 3.45Å; K947-G950 PolarHBondContact O-N 3.09Å; G950-V952 PolarHBondContact O-N 3.05Å | ||
| 951 | E | 92.7 | Very high | 94.1 | Very high | 128 Ų | 128 | 44.5 Ų | 44.5 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | trans | -75.1 | 122.7 | 173.5 | -174.4 | -171.7 | -161.6 | 0 | 0 | 109.8 | R953 F1009 S1010 | E951-R953 PolarHBondContact O-N 2.94Å; E951-F1009 CarbonylContact O-C 3.6Å; E951-F1009 WeakPolarHBondContact O-CA 3.36Å; E951-S1010 PolarHBondContact O-N 3.41Å; E951-S1010 WeakPolarHBondContact OE2-CB 3.46Å; E951-S1010 PolarHBondContact OE2-OG 3.3Å | ||
| 952 | V | 94.6 | Very high | 94 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.8 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | K943 L946 G950 F993 I1007 F1009 | K943-V952 WeakPolarHBondContact CE-O 3.45Å; K943-V952 HydrophobicContact CG-CB 3.99Å; L946-V952 HydrophobicContact CB-CG2 4.02Å; L946-V952 HydrophobicContact CD1-CG2 4.15Å; G950-V952 PolarHBondContact O-N 3.05Å; V952-F993 HydrophobicContact CG1-CD1 3.87Å; V952-F993 HydrophobicContact CG1-CE1 3.87Å; V952-I1007 HydrophobicContact CG1-CG2 3.85Å; V952-I1007 HydrophobicContact CG2-CG2 4.26Å; V952-F1009 HydrophobicContact CG2-CD1 4.19Å; V952-F1009 HydrophobicContact CG2-CE1 3.75Å; V952-F1009 HydrophobicContact CG2-CZ 4.37Å |
| 953 | R | 93.6 | Very high | 94 | Very high | 167 Ų | 167 | 42 Ų | 42 | 63% | 0.63 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -44.5 | 178.8 | -170.5 | -172.9 | 106.2 | 173 | 2.9 | 112 | E951 H1008 | E951-R953 PolarHBondContact O-N 2.94Å; R953-H1008 WeakPolarHBondContact CB-O 3.04Å; R953-H1008 PolarHBondContact N-O 3.39Å |
| 954 | E | 93 | Very high | 94 | Very high | 69 Ų | 69 | 40 Ų | 40 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 144.4 | -171.3 | -171.3 | 170.3 | -178.7 | 0 | 0 | 110.7 | E956 I1007 H1008 | E954-E956 HydrophobicContact CG-CG 4.2Å; E954-I1007 WeakPolarHBondContact O-CA 3.42Å; E954-H1008 HydrophobicContact CB-CB 4.12Å; E954-H1008 PolarHBondContact N-O 2.76Å; E954-H1008 PolarHBondContact O-N 2.91Å; E954-H1008 VanDerWaalsContact O-N 3.12Å |
| 955 | L | 93.5 | Very high | 93.9 | Very high | 39 Ų | 39 | 36.3 Ų | 36.3 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 117.3 | -178.9 | 179.6 | 70.7 | 0 | 0 | 0 | 109.3 | L942 F993 V995 F1005 I1007 | L942-L955 HydrophobicContact CD1-CD1 3.56Å; L942-L955 HydrophobicContact CD1-CD2 3.76Å; L942-L955 HydrophobicContact CD1-CG 4.32Å; L955-F993 HydrophobicContact CB-CD1 3.84Å; L955-F993 HydrophobicContact CB-CE1 3.93Å; L955-F993 HydrophobicContact CD2-CD1 4.34Å; L955-V995 HydrophobicContact CD2-CG2 4.16Å; L955-F1005 HydrophobicContact CD1-CB 3.71Å; L955-F1005 HydrophobicContact CD1-CD1 3.62Å; L955-F1005 HydrophobicContact CD1-CE1 4.47Å; L955-F1005 HydrophobicContact CD1-CG 3.76Å; L955-F1005 HydrophobicContact CD2-CD1 4.46Å; L955-F1005 HydrophobicContact CG-CD1 4.03Å; L955-I1007 HydrophobicContact CD1-CD1 4.06Å; L955-I1007 HydrophobicContact CD1-CG1 3.75Å |
| 956 | E | 93.2 | Very high | 93.8 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.8 | -179.6 | -54.6 | 179.8 | 111.1 | 0 | 0 | 109.9 | E954 R958 F1005 F1006 | E954-E956 HydrophobicContact CG-CG 4.2Å; E956-R958 IonicContact OE1-NH2 3.41Å; E956-R958 PolarHBondContact OE1-NH2 3.43Å; E956-R958 IonicContact OE2-CZ 3.69Å; E956-R958 IonicContact OE2-NE 2.75Å; E956-R958 IonicContact OE2-NH2 3.39Å; E956-R958 PolarHBondContact OE2-NH2 3.26Å; E956-F1005 CarbonylContact O-C 3.5Å; E956-F1005 VanDerWaalsContact O-CA 3.24Å; E956-F1005 WeakPolarHBondContact O-CA 3.35Å; E956-F1006 HydrophobicContact CB-CB 4.39Å; E956-F1006 PolarHBondContact N-O 2.78Å; E956-F1006 PolarHBondContact O-N 3.16Å |
| 957 | E | 95.3 | Very high | 93.6 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 136.9 | 177.7 | -174.6 | 174 | -156.6 | 0 | 0 | 112.1 | I966 R1003 T1004 F1005 | E957-I966 HydrophobicContact CB-CB 4.32Å; E957-I966 HydrophobicContact CB-CG2 3.62Å; E957-I966 HydrophobicContact CG-CB 3.93Å; E957-I966 HydrophobicContact CG-CG1 4.29Å; E957-I966 HydrophobicContact CG-CG2 3.63Å; E957-I966 PolarHBondContact O-N 2.88Å; E957-I966 VanDerWaalsContact O-N 3.12Å; E957-R1003 IonicContact OE1-CZ 3.73Å; E957-R1003 IonicContact OE1-NE 3.73Å; E957-R1003 PolarHBondContact OE1-NE 3.01Å; E957-R1003 IonicContact OE1-NH2 3.78Å; E957-R1003 PolarHBondContact OE1-NH2 2.97Å; E957-R1003 IonicContact OE2-CZ 3.57Å; E957-R1003 IonicContact OE2-NH2 3.23Å; E957-R1003 PolarHBondContact OE2-NH2 3.04Å; E957-T1004 WeakPolarHBondContact CA-O 3.4Å; E957-F1005 HydrophobicContact CB-CD1 3.83Å; E957-F1005 HydrophobicContact CB-CE1 3.77Å; E957-F1005 HydrophobicContact CG-CD1 4.16Å; E957-F1005 HydrophobicContact CG-CE1 3.82Å |
| 958 | R | 95.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 165.4 | -171.4 | -54.9 | -62 | 176.4 | 179.5 | 3.3 | 112.2 | Y892 E956 W964 N965 T1004 F1006 | Y892-R958 PolarHBondContact OH-NH1 2.84Å; E956-R958 IonicContact OE1-NH2 3.41Å; E956-R958 PolarHBondContact OE1-NH2 3.43Å; E956-R958 IonicContact OE2-CZ 3.69Å; E956-R958 IonicContact OE2-NE 2.75Å; E956-R958 IonicContact OE2-NH2 3.39Å; E956-R958 PolarHBondContact OE2-NH2 3.26Å; R958-W964 WeakPolarHBondContact CA-O 3.18Å; R958-W964 WeakPolarHBondContact CB-O 3.28Å; R958-W964 VanDerWaalsContact CD-O 3.27Å; R958-W964 WeakPolarHBondContact CD-O 3.37Å; R958-N965 VanDerWaalsContact NH1-CB 3.28Å; R958-T1004 HydrophobicContact CB-CG2 4.25Å; R958-T1004 PolarHBondContact N-O 2.87Å; R958-F1006 HydrophobicContact CG-CD2 3.77Å; R958-F1006 HydrophobicContact CG-CE2 4Å; R958-F1006 HydrophobicContact CG-CG 4.04Å; R958-F1006 HydrophobicContact CG-CZ 4.48Å |
| 959 | S | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | trans | -61.3 | 169.9 | 164.1 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | L163 T961 G962 T963 W964 T1004 | L163-S959 WeakPolarHBondContact O-CB 3.28Å; S959-T961 VanDerWaalsContact C-N 3.25Å; S959-T961 PolarHBondContact O-N 3.14Å; S959-T961 VanDerWaalsContact O-N 3.13Å; S959-G962 PolarHBondContact O-N 3.16Å; S959-T963 PolarHBondContact OG-N 3.21Å; S959-W964 PolarHBondContact N-O 3.17Å; S959-W964 VanDerWaalsContact N-O 3.11Å; S959-W964 PolarHBondContact OG-N 3.24Å; S959-W964 VanDerWaalsContact OG-N 3.13Å; S959-T1004 WeakPolarHBondContact O-CB 3.49Å; S959-T1004 WeakPolarHBondContact O-CG2 3.35Å | ||
| 960 | L | 98 | Very high | 93.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -45.7 | -179.9 | -171.5 | 62.4 | 0 | 0 | 0 | 113.4 | I124 L160 L163 A164 R921 I1002 T1004 | I124-L960 HydrophobicContact CD1-CD1 4Å; I124-L960 HydrophobicContact CG1-CD1 4.14Å; I124-L960 HydrophobicContact CG1-CD2 4.15Å; I124-L960 HydrophobicContact CG1-CG 4.34Å; I124-L960 HydrophobicContact CG2-CD1 4.29Å; I124-L960 HydrophobicContact CG2-CG 4.3Å; L160-L960 HydrophobicContact CB-CD2 3.76Å; L160-L960 HydrophobicContact CD2-CD2 3.88Å; L160-L960 HydrophobicContact CG-CD2 4.38Å; L160-L960 VanDerWaalsContact O-CD2 3.29Å; L160-L960 WeakPolarHBondContact O-CD2 3.33Å; L163-L960 HydrophobicContact CB-CB 3.87Å; L163-L960 HydrophobicContact CB-CD2 4.22Å; L163-L960 HydrophobicContact CB-CG 4.45Å; L163-L960 PolarHBondContact O-N 2.87Å; A164-L960 HydrophobicContact CB-CB 4.26Å; R921-L960 VanDerWaalsContact CZ-O 3.3Å; R921-L960 PolarHBondContact NE-O 2.85Å; R921-L960 PolarHBondContact NH2-O 2.75Å; L960-I1002 HydrophobicContact CD1-CG2 4.03Å; L960-T1004 PolarHBondContact O-OG1 2.86Å |
| 961 | T | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.8 | -178.9 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | L127 H131 A164 S959 T963 | L127-T961 HydrophobicContact CB-CG2 4.22Å; L127-T961 HydrophobicContact CD2-CG2 3.83Å; L127-T961 HydrophobicContact CG-CG2 3.74Å; H131-T961 HydrophobicContact CB-CG2 4.26Å; H131-T961 WeakPolarHBondContact ND1-CB 3.46Å; H131-T961 VanDerWaalsContact ND1-CG2 3.27Å; H131-T961 WeakPolarHBondContact ND1-CG2 3.45Å; H131-T961 PolarHBondContact ND1-OG1 3.49Å; A164-T961 HydrophobicContact CB-CG2 4.39Å; S959-T961 VanDerWaalsContact C-N 3.25Å; S959-T961 PolarHBondContact O-N 3.14Å; S959-T961 VanDerWaalsContact O-N 3.13Å; T961-T963 PolarHBondContact O-N 3.34Å; T961-T963 PolarHBondContact OG1-OG1 3.42Å; T961-T963 VanDerWaalsContact OG1-OG1 3.13Å |
| 962 | G | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 79.7 | -6.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S959 F1006 | S959-G962 PolarHBondContact O-N 3.16Å; G962-F1006 WeakPolarHBondContact O-CE2 3.39Å; G962-F1006 WeakPolarHBondContact O-CZ 3.22Å |
| 963 | T | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -81.4 | -27 | -170 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | H131 Y135 R141 W890 S959 T961 | H131-T963 HydrophobicContact CB-CG2 4.05Å; Y135-T963 HydrophobicContact CD2-CG2 4.4Å; Y135-T963 HydrophobicContact CG-CG2 4.18Å; R141-T963 PolarHBondContact NE-O 2.94Å; R141-T963 PolarHBondContact NH2-O 3.49Å; W890-T963 HydrophobicContact CH2-CG2 4.27Å; S959-T963 PolarHBondContact OG-N 3.21Å; T961-T963 PolarHBondContact O-N 3.34Å; T961-T963 PolarHBondContact OG1-OG1 3.42Å; T961-T963 VanDerWaalsContact OG1-OG1 3.13Å | ||
| 964 | W | 93.9 | Very high | 93.6 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -98.9 | 143.9 | 175 | -62.7 | 89.4 | 0 | 0 | 0 | 111.4 | R141 Q143 R958 S959 L969 | R141-W964 HydrophobicContact CB-CH2 4.39Å; R141-W964 HydrophobicContact CB-CZ2 3.5Å; R141-W964 VanDerWaalsContact CB-CZ2 3.5Å; R141-W964 HydrophobicContact CG-CZ2 4.18Å; Q143-W964 HydrophobicContact CG-CZ2 4.34Å; R958-W964 WeakPolarHBondContact CA-O 3.18Å; R958-W964 WeakPolarHBondContact CB-O 3.28Å; R958-W964 VanDerWaalsContact CD-O 3.27Å; R958-W964 WeakPolarHBondContact CD-O 3.37Å; S959-W964 PolarHBondContact N-O 3.17Å; S959-W964 VanDerWaalsContact N-O 3.11Å; S959-W964 PolarHBondContact OG-N 3.24Å; S959-W964 VanDerWaalsContact OG-N 3.13Å; W964-L969 HydrophobicContact CB-CB 4.28Å; W964-L969 HydrophobicContact CB-CD1 4.32Å; W964-L969 HydrophobicContact CD2-CD1 3.61Å; W964-L969 HydrophobicContact CE3-CD1 3.94Å; W964-L969 HydrophobicContact CG-CD1 3.8Å |
| 965 | N | 92.2 | Very high | 93.7 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -74.1 | 130.3 | 156.8 | -170.2 | -46.4 | 0 | 0 | 0 | 107.9 | R958 T967 T968 L969 | R958-N965 VanDerWaalsContact NH1-CB 3.28Å; N965-T967 VanDerWaalsContact CG-OG1 3.32Å; N965-T967 PolarHBondContact O-N 2.87Å; N965-T967 WeakPolarHBondContact OD1-CB 3.41Å; N965-T967 PolarHBondContact OD1-N 3.3Å; N965-T967 PolarHBondContact OD1-OG1 2.91Å; N965-T968 PolarHBondContact O-N 2.88Å; N965-T968 VanDerWaalsContact O-N 3.13Å; N965-T968 PolarHBondContact O-OG1 3.08Å; N965-L969 PolarHBondContact O-N 3.26Å; N965-L969 VanDerWaalsContact O-N 3.08Å |
| 966 | I | 91.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.4 | -177.7 | -159.9 | 62.8 | 0 | 0 | 0 | 112.3 | E957 T968 L969 | E957-I966 HydrophobicContact CB-CB 4.32Å; E957-I966 HydrophobicContact CB-CG2 3.62Å; E957-I966 HydrophobicContact CG-CB 3.93Å; E957-I966 HydrophobicContact CG-CG1 4.29Å; E957-I966 HydrophobicContact CG-CG2 3.63Å; E957-I966 PolarHBondContact O-N 2.88Å; E957-I966 VanDerWaalsContact O-N 3.12Å; I966-T968 VanDerWaalsContact C-N 3.26Å; I966-T968 PolarHBondContact O-N 3.3Å; I966-L969 HydrophobicContact CD1-CD2 4.08Å; I966-L969 PolarHBondContact O-N 2.81Å |
| 967 | T | 89.5 | Confident | 93.5 | Very high | 107 Ų | 107 | 49 Ų | 49 | 66% | 0.656 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.2 | -178.6 | 63.2 | 0 | 0 | 0 | 0 | 113 | N965 | N965-T967 VanDerWaalsContact CG-OG1 3.32Å; N965-T967 PolarHBondContact O-N 2.87Å; N965-T967 WeakPolarHBondContact OD1-CB 3.41Å; N965-T967 PolarHBondContact OD1-N 3.3Å; N965-T967 PolarHBondContact OD1-OG1 2.91Å |
| 968 | T | 89.6 | Confident | 92.9 | Very high | 80 Ų | 80 | 51.9 Ų | 51.9 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -9.4 | 179 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | N965 I966 Q970 | N965-T968 PolarHBondContact O-N 2.88Å; N965-T968 VanDerWaalsContact O-N 3.13Å; N965-T968 PolarHBondContact O-OG1 3.08Å; I966-T968 VanDerWaalsContact C-N 3.26Å; I966-T968 PolarHBondContact O-N 3.3Å; T968-Q970 PolarHBondContact O-N 2.71Å |
| 969 | L | 92.4 | Very high | 91.6 | Very high | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | trans | -68 | 120.2 | 176.6 | 179 | 62.1 | 0 | 0 | 0 | 110.5 | W964 N965 I966 | W964-L969 HydrophobicContact CB-CB 4.28Å; W964-L969 HydrophobicContact CB-CD1 4.32Å; W964-L969 HydrophobicContact CD2-CD1 3.61Å; W964-L969 HydrophobicContact CE3-CD1 3.94Å; W964-L969 HydrophobicContact CG-CD1 3.8Å; N965-L969 PolarHBondContact O-N 3.26Å; N965-L969 VanDerWaalsContact O-N 3.08Å; I966-L969 HydrophobicContact CD1-CD2 4.08Å; I966-L969 PolarHBondContact O-N 2.81Å | ||
| 970 | Q | 91.9 | Very high | 89.5 | Confident | 150 Ų | 150 | 58.9 Ų | 58.9 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | trans | -126 | 121.7 | 174.6 | -65.4 | -66.8 | -34 | 0 | 0 | 108.7 | T968 | T968-Q970 PolarHBondContact O-N 2.71Š| ||
| 971 | R | 94.6 | Very high | 87 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 152.2 | 173.7 | -58.7 | -168.6 | -52.6 | 119.3 | -0.7 | 110.7 | S162 F166 N167 E203 | S162-R971 VanDerWaalsContact O-CD 3.3Å; S162-R971 WeakPolarHBondContact O-CD 3.46Å; S162-R971 PolarHBondContact OG-NH1 3.04Å; S162-R971 PolarHBondContact OG-NH2 3.44Å; F166-R971 WeakPolarHBondContact O-CD 3.19Å; F166-R971 PolarHBondContact O-NH1 2.64Å; N167-R971 WeakPolarHBondContact OD1-CA 3.46Å; E203-R971 PolarHBondContact O-NH1 2.91Å; E203-R971 PolarHBondContact O-NH2 3.46Å |
| 972 | W | 95.3 | Very high | 84.3 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 27% | 0.269 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 141.2 | 172.1 | -65 | -2.9 | 0 | 0 | 0 | 111.1 | F144 N167 F327 Q328 H331 W974 | F144-W972 AromaticContact CE1-CH2 3.82Å; F144-W972 HydrophobicContact CE1-CH2 3.82Å; F144-W972 AromaticContact CE1-CZ3 3.85Å; F144-W972 HydrophobicContact CE1-CZ3 3.85Å; F144-W972 AromaticContact CZ-CH2 3.57Å; F144-W972 HydrophobicContact CZ-CH2 3.57Å; F144-W972 AromaticContact CZ-CZ2 3.98Å; F144-W972 HydrophobicContact CZ-CZ2 3.98Å; F144-W972 HydrophobicContact CZ-CZ3 4.09Å; N167-W972 HydrophobicContact CB-CB 4.2Å; N167-W972 HydrophobicContact CB-CD2 3.72Å; N167-W972 HydrophobicContact CB-CE3 3.84Å; N167-W972 HydrophobicContact CB-CG 3.91Å; N167-W972 HydrophobicContact CB-CZ3 4.41Å; N167-W972 PolarHBondContact OD1-N 2.87Å; F327-W972 HydrophobicContact CB-CH2 4.37Å; F327-W972 HydrophobicContact CB-CZ3 3.85Å; Q328-W972 HydrophobicContact CB-CH2 3.84Å; Q328-W972 HydrophobicContact CB-CZ2 4.47Å; H331-W972 HydrophobicContact CB-CE3 3.88Å; H331-W972 HydrophobicContact CB-CZ3 3.99Å; H331-W972 AromaticContact CG-CE3 3.89Å; W972-W974 AromaticContact CE3-CZ2 3.88Å; W972-W974 HydrophobicContact CE3-CZ2 3.88Å; W972-W974 HydrophobicContact CZ3-CZ2 4.38Å |
| 973 | R | 91.8 | Very high | 81.7 | Confident | 193 Ų | 193 | 79.7 Ų | 79.7 | 73% | 0.728 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -101.1 | 131.9 | 172.3 | -64 | -173.6 | -177.3 | -154.5 | -2 | 109.5 | H331 | H331-R973 PolarHBondContact NE2-O 2.94Š|
| 974 | W | 93.3 | Very high | 79.2 | Confident | 14 Ų | 14 | 86 Ų | 86 | 5% | 0.053 | 45% | 0.449 | C | S | . | . | trans | -105.5 | 136.4 | 179.3 | -65.1 | 92.6 | 0 | 0 | 0 | 109.6 | N167 A168 V191 F205 V330 H331 W337 W972 T976 | N167-W974 PolarHBondContact O-NE1 2.88Å; A168-W974 HydrophobicContact CB-CZ2 4.38Å; V191-W974 HydrophobicContact CG2-CB 3.55Å; V191-W974 HydrophobicContact CG2-CG 4.33Å; F205-W974 HydrophobicContact CB-CD2 3.51Å; F205-W974 HydrophobicContact CB-CE3 4.21Å; F205-W974 HydrophobicContact CB-CG 3.72Å; F205-W974 HydrophobicContact CB-CH2 4.36Å; F205-W974 HydrophobicContact CB-CZ2 3.69Å; F205-W974 VanDerWaalsContact CB-NE1 3.25Å; F205-W974 AromaticContact CD1-CH2 3.84Å; F205-W974 HydrophobicContact CD1-CH2 3.84Å; F205-W974 AromaticContact CD1-CZ2 3.82Å; F205-W974 HydrophobicContact CD1-CZ2 3.82Å; F205-W974 HydrophobicContact CD1-CZ3 4.25Å; F205-W974 AromaticContact CD2-CD2 3.89Å; F205-W974 HydrophobicContact CD2-CD2 3.89Å; F205-W974 AromaticContact CD2-CE3 3.75Å; F205-W974 HydrophobicContact CD2-CE3 3.75Å; F205-W974 HydrophobicContact CD2-CG 4.41Å; F205-W974 HydrophobicContact CD2-CH2 4.38Å; F205-W974 HydrophobicContact CD2-CZ3 4.01Å; F205-W974 HydrophobicContact CE1-CH2 4.17Å; F205-W974 HydrophobicContact CE1-CZ3 4.42Å; F205-W974 HydrophobicContact CE2-CE3 4.25Å; F205-W974 HydrophobicContact CE2-CZ3 4.2Å; F205-W974 AromaticContact CG-CD2 3.77Å; F205-W974 HydrophobicContact CG-CD2 3.77Å; F205-W974 AromaticContact CG-CE2 3.68Å; F205-W974 AromaticContact CG-CE3 3.95Å; F205-W974 HydrophobicContact CG-CE3 3.95Å; F205-W974 HydrophobicContact CG-CG 4.37Å; F205-W974 AromaticContact CG-CH2 3.93Å; F205-W974 HydrophobicContact CG-CH2 3.93Å; F205-W974 AromaticContact CG-CZ2 3.76Å; F205-W974 HydrophobicContact CG-CZ2 3.76Å; F205-W974 HydrophobicContact CG-CZ3 4.03Å; F205-W974 HydrophobicContact CZ-CZ3 4.38Å; V330-W974 HydrophobicContact CB-CH2 4.45Å; V330-W974 HydrophobicContact CG1-CH2 4.16Å; V330-W974 HydrophobicContact CG1-CZ3 4.03Å; H331-W974 HydrophobicContact CB-CH2 3.62Å; H331-W974 HydrophobicContact CB-CZ2 4.14Å; H331-W974 HydrophobicContact CB-CZ3 3.94Å; H331-W974 AromaticContact CD2-CD2 3.87Å; H331-W974 AromaticContact CD2-CE2 3.87Å; H331-W974 AromaticContact CD2-CE3 3.88Å; H331-W974 AromaticContact CD2-CH2 3.99Å; H331-W974 AromaticContact CD2-CZ2 3.96Å; H331-W974 AromaticContact CD2-CZ3 3.94Å; W337-W974 AromaticContact CD1-CE3 3.81Å; W337-W974 AromaticContact NE1-CE3 3.49Å; W337-W974 AromaticContact NE1-CZ3 3.76Å; W972-W974 AromaticContact CE3-CZ2 3.88Å; W972-W974 HydrophobicContact CE3-CZ2 3.88Å; W972-W974 HydrophobicContact CZ3-CZ2 4.38Å; W974-T976 PolarHBondContact O-N 3.42Å | ||
| 975 | K | 93.8 | Very high | 76.5 | Confident | 99 Ų | 99 | 90.6 Ų | 90.6 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.2 | 179.9 | -74 | -178.5 | 173.6 | 174.7 | 0 | 110.1 | N334 T336 W337 | N334-K975 PolarHBondContact ND2-NZ 2.85Å; N334-K975 VanDerWaalsContact OD1-CD 3.24Å; N334-K975 WeakPolarHBondContact OD1-CD 3.49Å; N334-K975 WeakPolarHBondContact OD1-CE 3.18Å; N334-K975 PolarHBondContact OD1-NZ 3.1Å; T336-K975 CarbonylContact C-O 3.6Å; T336-K975 WeakPolarHBondContact CA-O 3.37Å; W337-K975 PolarHBondContact N-O 2.83Å |
| 976 | T | 93.6 | Very high | 73.7 | Confident | 1 Ų | 1 | 97.9 Ų | 97.9 | 1% | 0.006 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 165.2 | 169.2 | 68.7 | 0 | 0 | 0 | 0 | 109.2 | V191 V339 W974 D978 T979 | V191-T976 HydrophobicContact CB-CG2 3.87Å; V191-T976 HydrophobicContact CG1-CG2 4.12Å; V191-T976 HydrophobicContact CG2-CG2 3.79Å; V339-T976 HydrophobicContact CG2-CG2 3.57Å; W974-T976 PolarHBondContact O-N 3.42Å; T976-D978 PolarHBondContact O-N 2.75Å; T976-T979 PolarHBondContact N-OG1 3.03Å; T976-T979 PolarHBondContact O-N 3.2Å; T976-T979 PolarHBondContact O-OG1 3.34Å; T976-T979 VanDerWaalsContact OG1-CG2 3.28Å; T976-T979 WeakPolarHBondContact OG1-CG2 3.48Å; T976-T979 PolarHBondContact OG1-N 2.94Å; T976-T979 PolarHBondContact OG1-OG1 2.58Å |
| 977 | A | 88.6 | Confident | 71.4 | Confident | 68 Ų | 68 | 103.2 Ų | 103.2 | 56% | 0.562 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -54.7 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T979 S980 | A977-T979 PolarHBondContact O-N 2.82Å; A977-S980 PolarHBondContact O-OG 2.81Å |
| 978 | D | 82.3 | Confident | 69.1 | Low | 101 Ų | 101 | 107.2 Ų | 107.2 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -25.1 | -175.3 | -50.8 | -26.3 | 0 | 0 | 0 | 114.1 | R193 T976 | R193-D978 IonicContact CZ-OD2 3.43Å; R193-D978 IonicContact NH1-OD2 3.69Å; R193-D978 PolarHBondContact NH1-OD2 2.87Å; R193-D978 VanDerWaalsContact NH1-OD2 3.1Å; R193-D978 IonicContact NH2-OD2 3.52Å; T976-D978 PolarHBondContact O-N 2.75Å |
| 979 | T | 69.7 | Low | 67 | Low | 50 Ų | 50 | 115.1 Ų | 115.1 | 31% | 0.307 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -0.1 | -176.3 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | T976 A977 G981 | T976-T979 PolarHBondContact N-OG1 3.03Å; T976-T979 PolarHBondContact O-N 3.2Å; T976-T979 PolarHBondContact O-OG1 3.34Å; T976-T979 VanDerWaalsContact OG1-CG2 3.28Å; T976-T979 WeakPolarHBondContact OG1-CG2 3.48Å; T976-T979 PolarHBondContact OG1-N 2.94Å; T976-T979 PolarHBondContact OG1-OG1 2.58Å; A977-T979 PolarHBondContact O-N 2.82Å; T979-G981 PolarHBondContact O-N 2.95Å |
| 980 | S | 51.7 | Low | 65.1 | Low | 104 Ų | 104 | 116.5 Ų | 116.5 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 73.2 | 174.5 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | A977 | A977-S980 PolarHBondContact O-OG 2.81Š|
| 981 | G | 44.9 | Very low | 63.5 | Low | 75 Ų | 75 | 116.7 Ų | 116.7 | 77% | 0.773 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.3 | 2.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | T979 | T979-G981 PolarHBondContact O-N 2.95Š|
| 982 | K | 41.3 | Very low | 62.6 | Low | 177 Ų | 177 | 120.7 Ų | 120.7 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | trans | -106.7 | 109.4 | 177.4 | -69.4 | -176.6 | -179.4 | 176.3 | 0 | 111.8 | ||||
| 983 | K | 40.4 | Very low | 62.4 | Low | 190 Ų | 190 | 118.9 Ų | 118.9 | 83% | 0.826 | 59% | 0.59 | S | S | * | * | trans | -82.3 | 131.1 | 150.6 | -76.5 | -178.6 | 176.3 | 178.6 | 0 | 106.6 | ||||
| 984 | N | 40.8 | Very low | 62.5 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | trans | 179.3 | 156.5 | 155.4 | -99.9 | 20.9 | 0 | 0 | 0 | 107.7 | ||||
| 985 | D | 37 | Very low | 62.6 | Low | 133 Ų | 133 | 110.6 Ų | 110.6 | 71% | 0.711 | 56% | 0.563 | S | S | * | * | cis | -131.9 | 141.1 | -12.2 | -100.9 | -49.9 | 0 | 0 | 0 | 105.1 | ||||
| 986 | Q | 34.5 | Very low | 62.7 | Low | 190 Ų | 190 | 108.3 Ų | 108.3 | 89% | 0.888 | 56% | 0.557 | S | S | * | * | trans | -59.8 | 139.4 | 172.4 | -76.8 | 176.6 | -21.2 | 0 | 0 | 109.4 | K988 | Q986-K988 PolarHBondContact O-N 2.98Š| ||
| 987 | H | 42.1 | Very low | 62.9 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 69% | 0.685 | 56% | 0.557 | S | S | * | * | trans | -43.6 | 116.5 | 169.3 | -84.3 | -77.6 | 0 | 0 | 0 | 109.4 | R989 | H987-R989 PolarHBondContact O-N 2.7Š| ||
| 988 | K | 41.5 | Very low | 63.3 | Low | 192 Ų | 192 | 106 Ų | 106 | 84% | 0.835 | 54% | 0.536 | S | S | * | . | trans | -59.3 | 116.3 | 165.1 | -87.6 | -177.6 | 175.8 | 178.1 | 0 | 106.4 | Q986 N990 | Q986-K988 PolarHBondContact O-N 2.98Å; K988-N990 PolarHBondContact O-N 2.91Å | ||
| 989 | R | 45.3 | Very low | 64 | Low | 245 Ų | 245 | 101.7 Ų | 101.7 | 93% | 0.925 | 51% | 0.514 | S | S | * | . | trans | -56.2 | 111.9 | 171.9 | -157.1 | 176.6 | -173.1 | -177.1 | 1 | 106.7 | H987 Q991 | H987-R989 PolarHBondContact O-N 2.7Å; R989-Q991 PolarHBondContact O-N 3.42Å | ||
| 990 | N | 53.3 | Low | 65.3 | Low | 56 Ų | 56 | 99.4 Ų | 99.4 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | trans | -59.1 | 137.3 | 172.5 | -81.6 | -11.1 | 0 | 0 | 0 | 108 | K988 T994 R1003 | K988-N990 PolarHBondContact O-N 2.91Å; N990-T994 VanDerWaalsContact CB-O 3.26Å; N990-T994 WeakPolarHBondContact CB-O 3.16Å; N990-T994 PolarHBondContact ND2-O 3.08Å; N990-T994 PolarHBondContact OD1-O 3Å; N990-R1003 PolarHBondContact ND2-NH1 3.3Å; N990-R1003 PolarHBondContact ND2-NH2 3.23Å | ||
| 991 | Q | 57.1 | Low | 67.5 | Low | 154 Ų | 154 | 96.4 Ų | 96.4 | 72% | 0.72 | 48% | 0.475 | S | S | * | . | trans | -59.7 | 150.5 | 161.4 | -68.3 | 174.9 | -6.8 | 0 | 0 | 108.1 | R989 F993 T994 | R989-Q991 PolarHBondContact O-N 3.42Å; Q991-F993 PolarHBondContact O-N 2.63Å; Q991-T994 PolarHBondContact O-N 3.06Å | ||
| 992 | D | 76.9 | Confident | 70.1 | Confident | 143 Ų | 143 | 93.2 Ų | 93.2 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46 | -18.6 | -154.5 | -66 | -22.1 | 0 | 0 | 0 | 118.4 | ||
| 993 | F | 90.6 | Very high | 72.8 | Confident | 32 Ų | 32 | 85.8 Ų | 85.8 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | 9.1 | 174.2 | -58.6 | -84 | 0 | 0 | 0 | 114.8 | L942 K943 V952 L955 Q991 | L942-F993 PolarHBondContact N-O 2.98Å; K943-F993 HydrophobicContact CD-CB 4.34Å; K943-F993 HydrophobicContact CD-CD1 4.41Å; K943-F993 HydrophobicContact CD-CD2 3.63Å; K943-F993 HydrophobicContact CD-CE2 4.1Å; K943-F993 HydrophobicContact CD-CG 3.83Å; K943-F993 HydrophobicContact CG-CB 4.06Å; K943-F993 HydrophobicContact CG-CD1 4.11Å; K943-F993 HydrophobicContact CG-CD2 4.15Å; K943-F993 HydrophobicContact CG-CG 3.8Å; K943-F993 VanDerWaalsContact NZ-CE2 3.26Å; V952-F993 HydrophobicContact CG1-CD1 3.87Å; V952-F993 HydrophobicContact CG1-CE1 3.87Å; L955-F993 HydrophobicContact CB-CD1 3.84Å; L955-F993 HydrophobicContact CB-CE1 3.93Å; L955-F993 HydrophobicContact CD2-CD1 4.34Å; Q991-F993 PolarHBondContact O-N 2.63Å |
| 994 | T | 94.2 | Very high | 75.6 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.4 | -177 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | T939 V940 N990 Q991 | T939-T994 HydrophobicContact CG2-CG2 3.35Å; V940-T994 WeakPolarHBondContact O-CA 3.26Å; N990-T994 VanDerWaalsContact CB-O 3.26Å; N990-T994 WeakPolarHBondContact CB-O 3.16Å; N990-T994 PolarHBondContact ND2-O 3.08Å; N990-T994 PolarHBondContact OD1-O 3Å; Q991-T994 PolarHBondContact O-N 3.06Å |
| 995 | V | 94.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.2 | -172.9 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | T939 V940 L942 L955 I997 R1003 F1005 | T939-V995 CarbonylContact C-O 3.46Å; T939-V995 WeakPolarHBondContact CA-O 3.42Å; V940-V995 PolarHBondContact N-O 3.27Å; V940-V995 PolarHBondContact O-N 3.03Å; L942-V995 HydrophobicContact CD1-CG2 3.78Å; L942-V995 HydrophobicContact CG-CG2 4.02Å; L955-V995 HydrophobicContact CD2-CG2 4.16Å; V995-I997 HydrophobicContact CG1-CD1 4.36Å; V995-I997 HydrophobicContact CG1-CG1 3.91Å; V995-R1003 VanDerWaalsContact CG1-NH1 3.3Å; V995-F1005 HydrophobicContact CB-CZ 4.45Å; V995-F1005 HydrophobicContact CG1-CE1 4.49Å; V995-F1005 HydrophobicContact CG1-CE2 4.31Å; V995-F1005 HydrophobicContact CG1-CZ 3.63Å; V995-F1005 HydrophobicContact CG2-CE1 4.12Å; V995-F1005 HydrophobicContact CG2-CZ 3.92Å |
| 996 | T | 96.1 | Very high | 81.1 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133 | 168.8 | -56.6 | 0 | 0 | 0 | 0 | 110 | P937 V938 T939 R1003 | P937-T996 HydrophobicContact CB-CG2 4.07Å; V938-T996 CarbonylContact O-C 3.57Å; V938-T996 VanDerWaalsContact O-CA 3.24Å; V938-T996 WeakPolarHBondContact O-CA 3.44Å; T939-T996 PolarHBondContact OG1-OG1 2.92Å; T996-R1003 PolarHBondContact O-NH1 2.04Å |
| 997 | I | 97.4 | Very high | 84 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.2 | -179.5 | -47.5 | -176.9 | 0 | 0 | 0 | 108.1 | L880 L922 H924 P937 V938 V995 E1001 | L880-I997 HydrophobicContact CD1-CD1 4.14Å; L880-I997 HydrophobicContact CD2-CB 4.01Å; L880-I997 HydrophobicContact CD2-CD1 4.03Å; L880-I997 HydrophobicContact CD2-CG2 4.21Å; L922-I997 HydrophobicContact CB-CD1 3.37Å; L922-I997 HydrophobicContact CD1-CD1 3.76Å; L922-I997 HydrophobicContact CG-CD1 4.21Å; H924-I997 HydrophobicContact CB-CG2 3.94Å; P937-I997 WeakPolarHBondContact CA-O 3.42Å; V938-I997 PolarHBondContact N-O 3.5Å; V938-I997 PolarHBondContact O-N 3.22Å; V995-I997 HydrophobicContact CG1-CD1 4.36Å; V995-I997 HydrophobicContact CG1-CG1 3.91Å; I997-E1001 HydrophobicContact CG2-CB 3.93Å; I997-E1001 HydrophobicContact CG2-CG 4.41Å; I997-E1001 WeakPolarHBondContact CG2-O 3.12Å |
| 998 | S | 97.6 | Very high | 86.4 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | trans | -84.7 | 166.2 | -179 | -44.4 | 0 | 0 | 0 | 0 | 111.5 | H924 K1000 E1001 | H924-S998 WeakPolarHBondContact CB-O 3.43Å; S998-K1000 PolarHBondContact O-N 2.9Å; S998-E1001 WeakPolarHBondContact CB-OE2 3.18Å; S998-E1001 PolarHBondContact N-OE2 2.89Å; S998-E1001 WeakPolarHBondContact O-CB 3.32Å; S998-E1001 PolarHBondContact O-N 3.2Å; S998-E1001 PolarHBondContact OG-OE2 2.85Å | ||
| 999 | P | 97.9 | Very high | 88.9 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 8% | 0.078 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 130.2 | 174 | -32.6 | 40 | 0 | 0 | 0 | 114.1 | L198 F926 E928 S935 E1001 | L198-P999 WeakPolarHBondContact CD2-O 3.34Å; F926-P999 CarbonylContact O-C 3.52Å; F926-P999 WeakPolarHBondContact O-CA 3.33Å; F926-P999 WeakPolarHBondContact O-CB 3.36Å; E928-P999 HydrophobicContact CB-CB 4.23Å; S935-P999 WeakPolarHBondContact O-CG 3.21Å; P999-E1001 PolarHBondContact O-N 3.1Å |
| 1000 | K | 96.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 7.9 | -173 | -62.4 | -63.5 | -175.7 | -174.2 | 0 | 116.9 | Y738 M923 H924 L925 F926 E927 S998 | Y738-K1000 HydrophobicContact CE2-CB 4.08Å; Y738-K1000 HydrophobicContact CE2-CD 4.22Å; Y738-K1000 WeakPolarHBondContact CE2-O 3.45Å; Y738-K1000 WeakPolarHBondContact O-CD 3.42Å; Y738-K1000 WeakPolarHBondContact O-CE 3.43Å; Y738-K1000 PolarHBondContact O-NZ 3.1Å; Y738-K1000 WeakPolarHBondContact OH-CB 3.22Å; Y738-K1000 PolarHBondContact OH-O 2.99Å; M923-K1000 HydrophobicContact CE-CD 4.19Å; H924-K1000 WeakPolarHBondContact O-CA 3.37Å; L925-K1000 WeakPolarHBondContact O-CE 3.49Å; L925-K1000 PolarHBondContact O-NZ 2.97Å; F926-K1000 PolarHBondContact O-N 3.08Å; F926-K1000 VanDerWaalsContact O-N 3.09Å; E927-K1000 HydrophobicContact CB-CG 4.5Å; E927-K1000 HydrophobicContact CG-CD 4.14Å; E927-K1000 HydrophobicContact CG-CG 3.93Å; S998-K1000 PolarHBondContact O-N 2.9Å |
| 1001 | E | 98 | Very high | 91.7 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | trans | -71.4 | 137.1 | 176.8 | -169.5 | 175.1 | -170.3 | 0 | 0 | 110.3 | L198 M923 H924 I997 S998 P999 R1003 | L198-E1001 HydrophobicContact CD2-CB 4.17Å; M923-E1001 WeakPolarHBondContact CA-O 3.49Å; H924-E1001 PolarHBondContact N-O 2.76Å; I997-E1001 HydrophobicContact CG2-CB 3.93Å; I997-E1001 HydrophobicContact CG2-CG 4.41Å; I997-E1001 WeakPolarHBondContact CG2-O 3.12Å; S998-E1001 WeakPolarHBondContact CB-OE2 3.18Å; S998-E1001 PolarHBondContact N-OE2 2.89Å; S998-E1001 WeakPolarHBondContact O-CB 3.32Å; S998-E1001 PolarHBondContact O-N 3.2Å; S998-E1001 PolarHBondContact OG-OE2 2.85Å; P999-E1001 PolarHBondContact O-N 3.1Å; E1001-R1003 HydrophobicContact CG-CG 4.08Å | ||
| 1002 | I | 98.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.9 | 170.7 | -56.8 | 171.7 | 0 | 0 | 0 | 107 | L120 I124 L160 L163 Y738 L883 L922 M923 L960 | L120-I1002 HydrophobicContact CD2-CD1 4.31Å; I124-I1002 HydrophobicContact CD1-CD1 4.31Å; L160-I1002 HydrophobicContact CD2-CD1 4.21Å; L163-I1002 HydrophobicContact CD1-CB 4.2Å; L163-I1002 HydrophobicContact CD1-CD1 4.46Å; Y738-I1002 HydrophobicContact CE2-CD1 4.25Å; L883-I1002 HydrophobicContact CD2-CD1 4.32Å; L883-I1002 HydrophobicContact CD2-CG2 4.01Å; L922-I1002 WeakPolarHBondContact O-CA 3.1Å; M923-I1002 HydrophobicContact CB-CG1 4.11Å; M923-I1002 HydrophobicContact CG-CG1 3.91Å; M923-I1002 HydrophobicContact SD-CD1 4.46Å; M923-I1002 HydrophobicContact SD-CG1 4.36Å; L960-I1002 HydrophobicContact CD1-CG2 4.03Å |
| 1003 | R | 98 | Very high | 90.3 | Very high | 21 Ų | 21 | 32 Ų | 32 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135 | 174.4 | -61.7 | -174.5 | 71.1 | 172 | 1.3 | 110.2 | R921 L922 E957 N990 V995 T996 E1001 F1005 | R921-R1003 WeakPolarHBondContact CA-O 3.07Å; L922-R1003 PolarHBondContact N-O 2.77Å; L922-R1003 PolarHBondContact O-N 2.83Å; E957-R1003 IonicContact OE1-CZ 3.73Å; E957-R1003 IonicContact OE1-NE 3.73Å; E957-R1003 PolarHBondContact OE1-NE 3.01Å; E957-R1003 IonicContact OE1-NH2 3.78Å; E957-R1003 PolarHBondContact OE1-NH2 2.97Å; E957-R1003 IonicContact OE2-CZ 3.57Å; E957-R1003 IonicContact OE2-NH2 3.23Å; E957-R1003 PolarHBondContact OE2-NH2 3.04Å; N990-R1003 PolarHBondContact ND2-NH1 3.3Å; N990-R1003 PolarHBondContact ND2-NH2 3.23Å; V995-R1003 VanDerWaalsContact CG1-NH1 3.3Å; T996-R1003 PolarHBondContact O-NH1 2.04Å; E1001-R1003 HydrophobicContact CG-CG 4.08Å; R1003-F1005 HydrophobicContact CB-CE2 3.54Å; R1003-F1005 HydrophobicContact CB-CZ 3.61Å |
| 1004 | T | 98.4 | Very high | 87.6 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.7 | -176.6 | -57.4 | 0 | 0 | 0 | 0 | 110 | L919 L920 R921 E957 R958 S959 L960 | L919-T1004 HydrophobicContact CD1-CG2 3.41Å; L919-T1004 VanDerWaalsContact CD1-CG2 3.41Å; L920-T1004 CarbonylContact O-C 3.52Å; L920-T1004 WeakPolarHBondContact O-CA 3.16Å; R921-T1004 HydrophobicContact CG-CG2 3.9Å; E957-T1004 WeakPolarHBondContact CA-O 3.4Å; R958-T1004 HydrophobicContact CB-CG2 4.25Å; R958-T1004 PolarHBondContact N-O 2.87Å; S959-T1004 WeakPolarHBondContact O-CB 3.49Å; S959-T1004 WeakPolarHBondContact O-CG2 3.35Å; L960-T1004 PolarHBondContact O-OG1 2.86Å |
| 1005 | F | 97.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 145.7 | -178.4 | -53.5 | -86.2 | 0 | 0 | 0 | 111.5 | L919 L920 L955 E956 E957 V995 R1003 I1007 | L919-F1005 WeakPolarHBondContact CA-O 3.48Å; L920-F1005 HydrophobicContact CD2-CD2 3.81Å; L920-F1005 PolarHBondContact N-O 3.5Å; L920-F1005 PolarHBondContact O-N 3.08Å; L955-F1005 HydrophobicContact CD1-CB 3.71Å; L955-F1005 HydrophobicContact CD1-CD1 3.62Å; L955-F1005 HydrophobicContact CD1-CE1 4.47Å; L955-F1005 HydrophobicContact CD1-CG 3.76Å; L955-F1005 HydrophobicContact CD2-CD1 4.46Å; L955-F1005 HydrophobicContact CG-CD1 4.03Å; E956-F1005 CarbonylContact O-C 3.5Å; E956-F1005 VanDerWaalsContact O-CA 3.24Å; E956-F1005 WeakPolarHBondContact O-CA 3.35Å; E957-F1005 HydrophobicContact CB-CD1 3.83Å; E957-F1005 HydrophobicContact CB-CE1 3.77Å; E957-F1005 HydrophobicContact CG-CD1 4.16Å; E957-F1005 HydrophobicContact CG-CE1 3.82Å; V995-F1005 HydrophobicContact CB-CZ 4.45Å; V995-F1005 HydrophobicContact CG1-CE1 4.49Å; V995-F1005 HydrophobicContact CG1-CE2 4.31Å; V995-F1005 HydrophobicContact CG1-CZ 3.63Å; V995-F1005 HydrophobicContact CG2-CE1 4.12Å; V995-F1005 HydrophobicContact CG2-CZ 3.92Å; R1003-F1005 HydrophobicContact CB-CE2 3.54Å; R1003-F1005 HydrophobicContact CB-CZ 3.61Å; F1005-I1007 HydrophobicContact CB-CD1 4.47Å; F1005-I1007 HydrophobicContact CB-CG1 4.08Å |
| 1006 | F | 96.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.9 | 151.6 | -66.9 | -33.5 | 0 | 0 | 0 | 109.4 | P888 W890 Y892 R917 V918 L919 E956 R958 G962 | P888-F1006 HydrophobicContact CG-CE1 4.2Å; W890-F1006 AromaticContact CH2-CZ 3.7Å; W890-F1006 HydrophobicContact CH2-CZ 3.7Å; W890-F1006 HydrophobicContact CZ2-CZ 4.29Å; W890-F1006 HydrophobicContact CZ3-CZ 4.39Å; Y892-F1006 HydrophobicContact CD1-CD2 4.19Å; Y892-F1006 AromaticContact CD1-CE2 3.69Å; Y892-F1006 HydrophobicContact CD1-CE2 3.69Å; Y892-F1006 HydrophobicContact CD2-CE2 4.36Å; Y892-F1006 HydrophobicContact CE1-CD2 4.23Å; Y892-F1006 AromaticContact CE1-CE2 3.86Å; Y892-F1006 HydrophobicContact CE1-CE2 3.86Å; Y892-F1006 HydrophobicContact CE2-CE2 4.5Å; Y892-F1006 AromaticContact CG-CE2 3.97Å; Y892-F1006 HydrophobicContact CG-CE2 3.97Å; R917-F1006 HydrophobicContact CG-CB 3.96Å; R917-F1006 HydrophobicContact CG-CD1 3.93Å; R917-F1006 HydrophobicContact CG-CD2 4.29Å; R917-F1006 HydrophobicContact CG-CG 3.82Å; V918-F1006 CarbonylContact O-C 3.54Å; V918-F1006 WeakPolarHBondContact O-CA 3.36Å; L919-F1006 HydrophobicContact CB-CD1 4.3Å; L919-F1006 HydrophobicContact CB-CE1 4.25Å; L919-F1006 HydrophobicContact CD1-CD1 4.11Å; L919-F1006 HydrophobicContact CD1-CE1 3.85Å; E956-F1006 HydrophobicContact CB-CB 4.39Å; E956-F1006 PolarHBondContact N-O 2.78Å; E956-F1006 PolarHBondContact O-N 3.16Å; R958-F1006 HydrophobicContact CG-CD2 3.77Å; R958-F1006 HydrophobicContact CG-CE2 4Å; R958-F1006 HydrophobicContact CG-CG 4.04Å; R958-F1006 HydrophobicContact CG-CZ 4.48Å; G962-F1006 WeakPolarHBondContact O-CE2 3.39Å; G962-F1006 WeakPolarHBondContact O-CZ 3.22Å |
| 1007 | I | 95.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.4 | -177.2 | -56.7 | -175.2 | 0 | 0 | 0 | 108.6 | V918 L920 L946 V952 E954 L955 F1005 F1009 | V918-I1007 HydrophobicContact CB-CB 4.45Å; V918-I1007 WeakPolarHBondContact CB-O 3.41Å; V918-I1007 PolarHBondContact N-O 2.85Å; V918-I1007 PolarHBondContact O-N 3.45Å; L920-I1007 HydrophobicContact CB-CD1 3.62Å; L920-I1007 HydrophobicContact CB-CG1 4.25Å; L920-I1007 HydrophobicContact CD1-CD1 3.66Å; L920-I1007 HydrophobicContact CD2-CD1 4.08Å; L920-I1007 HydrophobicContact CG-CD1 3.99Å; L946-I1007 HydrophobicContact CD1-CD1 3.64Å; V952-I1007 HydrophobicContact CG1-CG2 3.85Å; V952-I1007 HydrophobicContact CG2-CG2 4.26Å; E954-I1007 WeakPolarHBondContact O-CA 3.42Å; L955-I1007 HydrophobicContact CD1-CD1 4.06Å; L955-I1007 HydrophobicContact CD1-CG1 3.75Å; F1005-I1007 HydrophobicContact CB-CD1 4.47Å; F1005-I1007 HydrophobicContact CB-CG1 4.08Å; I1007-F1009 HydrophobicContact CB-CE2 4.32Å; I1007-F1009 HydrophobicContact CG2-CD2 4.15Å; I1007-F1009 HydrophobicContact CG2-CE2 3.64Å; I1007-F1009 HydrophobicContact CG2-CZ 3.86Å |
| 1008 | H | 93.9 | Very high | 85.7 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137.4 | 168.7 | -63.2 | -89.3 | 0 | 0 | 0 | 109.9 | D914 D916 R953 E954 | D914-H1008 IonicContact OD2-CE1 2.74Å; D916-H1008 PolarHBondContact O-ND1 2.81Å; D916-H1008 VanDerWaalsContact O-ND1 3.1Å; R953-H1008 WeakPolarHBondContact CB-O 3.04Å; R953-H1008 PolarHBondContact N-O 3.39Å; E954-H1008 HydrophobicContact CB-CB 4.12Å; E954-H1008 PolarHBondContact N-O 2.76Å; E954-H1008 PolarHBondContact O-N 2.91Å; E954-H1008 VanDerWaalsContact O-N 3.12Å |
| 1009 | F | 93.2 | Very high | 85 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 13% | 0.127 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 151.9 | 179 | -66.5 | -93.6 | 0 | 0 | 0 | 110.9 | I389 V918 L946 L949 E951 V952 I1007 | I389-F1009 HydrophobicContact CD1-CD2 3.56Å; I389-F1009 HydrophobicContact CD1-CE1 4.38Å; I389-F1009 HydrophobicContact CD1-CE2 3.41Å; I389-F1009 VanDerWaalsContact CD1-CE2 3.41Å; I389-F1009 HydrophobicContact CD1-CG 4.14Å; I389-F1009 HydrophobicContact CD1-CZ 3.84Å; I389-F1009 HydrophobicContact CG1-CD2 3.79Å; I389-F1009 HydrophobicContact CG1-CE2 4.16Å; I389-F1009 HydrophobicContact CG1-CG 4.2Å; I389-F1009 HydrophobicContact CG2-CB 3.98Å; I389-F1009 HydrophobicContact CG2-CD1 4.22Å; I389-F1009 HydrophobicContact CG2-CD2 4.39Å; I389-F1009 HydrophobicContact CG2-CG 3.94Å; V918-F1009 HydrophobicContact CB-CE2 4.2Å; V918-F1009 HydrophobicContact CG1-CE2 4.46Å; V918-F1009 HydrophobicContact CG2-CD2 4.17Å; V918-F1009 HydrophobicContact CG2-CE2 3.98Å; L946-F1009 HydrophobicContact CB-CE1 4.37Å; L949-F1009 HydrophobicContact CB-CE1 3.95Å; L949-F1009 HydrophobicContact CB-CZ 4.19Å; L949-F1009 HydrophobicContact CD1-CZ 4.16Å; E951-F1009 CarbonylContact O-C 3.6Å; E951-F1009 WeakPolarHBondContact O-CA 3.36Å; V952-F1009 HydrophobicContact CG2-CD1 4.19Å; V952-F1009 HydrophobicContact CG2-CE1 3.75Å; V952-F1009 HydrophobicContact CG2-CZ 4.37Å; I1007-F1009 HydrophobicContact CB-CE2 4.32Å; I1007-F1009 HydrophobicContact CG2-CD2 4.15Å; I1007-F1009 HydrophobicContact CG2-CE2 3.64Å; I1007-F1009 HydrophobicContact CG2-CZ 3.86Å |
| 1010 | S | 87.4 | Confident | 84.1 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 136.4 | 169.5 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | E951 | E951-S1010 PolarHBondContact O-N 3.41Å; E951-S1010 WeakPolarHBondContact OE2-CB 3.46Å; E951-S1010 PolarHBondContact OE2-OG 3.3Å |
| 1011 | S | 69.5 | Low | 83.2 | Confident | 80 Ų | 80 | 47.4 Ų | 47.4 | 56% | 0.559 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 135.5 | 171.2 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | N1013 | S1011-N1013 PolarHBondContact O-N 3.42Å; S1011-N1013 PolarHBondContact OG-N 3.4Å |
| 1012 | R | 61.1 | Low | 82 | Confident | 145 Ų | 145 | 47.8 Ų | 47.8 | 55% | 0.547 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -74.9 | -4.7 | 174.6 | -76.6 | -174.2 | 175.8 | -174.6 | 1.2 | 113.7 | ||
| 1013 | N | 44.5 | Very low | 80.7 | Confident | 125 Ų | 125 | 51.3 Ų | 51.3 | 67% | 0.668 | 32% | 0.323 | S | S | * | . | trans | -106.1 | 58.8 | 177.4 | -72 | -10.8 | 0 | 0 | 0 | 111.6 | S1011 | S1011-N1013 PolarHBondContact O-N 3.42Å; S1011-N1013 PolarHBondContact OG-N 3.4Å | ||
| 1014 | G | 33.1 | Very low | 79.1 | Confident | 142 Ų | 142 | 54 Ų | 54 | 100% | 1.464 | 35% | 0.345 | S | S | * | . | trans | -122.4 | 0 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 1,014 of 1,014 residues in 1395.5 ms
(Link to these results)